#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qck s THR 2 N 0.00 4.58 0.32 3.17 -4.23 -1.26 -5.03 115.64 113.19 1qck s THR 2 Ca 0.00 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1qck s THR 2 Cb 0.00 -4.62 -0.02 0.00 1.34 0.00 0.00 72.50 69.20 1qck s THR 2 CO 0.00 -1.33 0.47 0.42 -0.54 0.00 0.00 174.62 173.64 1qck s THR 3 N 3.30 4.70 0.90 3.99 -4.23 -1.26 -5.09 115.64 117.95 1qck s THR 3 Ca 0.19 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1qck s THR 3 Cb -0.18 -3.67 0.13 0.00 1.34 0.00 0.00 72.50 70.12 1qck s THR 3 CO 0.06 -0.32 1.09 -0.55 -0.54 0.00 0.00 174.62 174.36 1qck s SER 4 N -4.08 3.47 0.54 3.99 0.15 -1.26 -4.89 113.70 111.62 1qck s SER 4 Ca 0.40 1.50 0.20 0.00 0.70 0.00 0.00 55.95 58.76 1qck s SER 4 Cb -0.09 -2.18 1.43 0.00 -1.71 0.00 0.00 66.02 63.46 1qck s SER 4 CO 0.32 -2.64 2.16 -0.61 1.20 0.00 0.00 173.24 173.67 1qck h GLN 5 N -1.55 0.00 -0.70 5.44 4.15 -2.01 -1.59 115.11 118.86 1qck h GLN 5 Ca -0.49 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.93 1qck h GLN 5 Cb 1.28 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 1qck h GLN 5 CO 0.54 0.00 0.46 0.87 -1.93 0.00 0.00 178.83 178.77 1qck h LYS 6 N 0.00 0.92 -0.03 1.69 1.57 -1.96 -0.32 116.57 118.44 1qck h LYS 6 Ca 0.02 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1qck h LYS 6 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1qck h LYS 6 CO -0.00 0.61 -0.01 1.25 -0.57 0.00 0.00 179.45 180.72 1qck h HIS 7 N 0.94 -0.03 -0.17 -1.35 2.76 -1.63 0.15 115.15 115.83 1qck h HIS 7 Ca 0.25 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1qck h HIS 7 Cb -0.11 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1qck h HIS 7 CO 0.00 -0.02 -0.46 0.00 -1.30 0.00 0.00 177.93 176.15 1qck h ARG 8 N -0.01 0.41 -0.48 5.26 3.08 -1.57 -2.97 114.38 118.11 1qck h ARG 8 Ca 0.02 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 1qck h ARG 8 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1qck h ARG 8 CO -0.04 0.79 -0.19 -0.44 -1.07 0.00 0.00 179.97 179.03 1qck h ASP 9 N 0.34 0.97 -0.26 7.04 3.32 -0.71 -1.71 116.42 125.41 1qck h ASP 9 Ca 0.02 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1qck h ASP 9 Cb 0.94 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1qck h ASP 9 CO 0.08 1.13 0.17 0.15 -1.72 0.00 0.00 179.24 179.05 1qck h PHE 10 N 0.83 0.32 -0.14 4.55 3.57 -0.57 -1.19 116.94 124.31 1qck h PHE 10 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1qck h PHE 10 Cb 0.75 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1qck h PHE 10 CO 0.05 0.21 0.00 1.33 -2.23 0.00 0.00 178.31 177.66 1qck n VAL 11 N -4.91 0.20 0.09 1.41 0.24 -1.14 -3.55 118.33 110.68 1qck n VAL 11 Ca -0.02 -0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.20 1qck n VAL 11 Cb 0.03 0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.08 2.98 -3.37 2.33 0.00 -0.46 -4.98 120.51 116.93 1qck n ALA 12 Ca 0.05 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 1qck n ALA 12 Cb 0.13 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.46 1.01 0.42 0.00 1.03 -1.17 -5.08 118.70 111.45 1qck s GLU 13 Ca -0.06 -0.08 -0.15 0.00 0.03 0.00 0.00 54.97 54.71 1qck s GLU 13 Cb 0.14 0.47 -0.12 0.00 -0.80 0.00 0.00 34.13 33.81 1qck s GLU 13 CO 0.90 -0.35 -0.11 -2.30 -1.33 0.00 0.00 175.26 172.07 1qck n PRO 14 N 0.63 0.00 0.08 -4.83 -0.02 -1.26 -4.81 135.00 124.78 1qck n PRO 14 Ca -0.19 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.35 1qck n PRO 14 Cb 0.59 -0.82 -0.03 0.00 -0.02 0.00 0.00 33.50 33.21 1qck n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qck h MET 15 N -0.02 0.00 0.00 -0.52 -0.00 -1.97 -3.49 114.93 108.93 1qck h MET 15 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.36 1qck h MET 15 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1qck h MET 15 CO 0.34 0.14 0.00 0.41 -0.00 0.00 0.00 176.91 177.81 1qck n GLY 16 N 1.28 2.86 1.81 -3.00 0.00 -1.26 -2.44 105.19 104.42 1qck n GLY 16 Ca -0.04 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 2.55 -1.71 1.61 1.02 -1.26 -4.73 120.64 132.12 1qck n GLU 17 Ca 0.00 -3.45 -0.38 0.00 -0.02 0.00 0.00 57.16 53.31 1qck n GLU 17 Cb 0.00 -2.10 0.05 0.00 -0.02 0.00 0.00 31.44 29.37 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 -0.97 1.36 -1.33 3.49 5.02 -1.02 -4.81 118.16 119.89 1qck n LYS 18 Ca 0.47 0.51 -0.35 0.00 -2.02 0.00 0.00 58.31 56.92 1qck n LYS 18 Cb 1.00 -2.46 0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1qck n LYS 18 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1qck n PRO 19 N -1.21 0.51 -0.30 1.97 -0.04 -1.26 -2.77 135.00 131.89 1qck n PRO 19 Ca 0.13 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1qck n PRO 19 Cb 0.46 -2.43 0.17 0.00 -0.04 0.00 0.00 33.50 31.67 1qck n PRO 19 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1qck h VAL 20 N -0.37 0.92 0.00 0.52 3.04 -1.79 0.21 116.25 118.78 1qck h VAL 20 Ca -0.48 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1qck h VAL 20 Cb 1.32 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1qck h VAL 20 CO 0.48 0.15 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 1qck n GLY 21 N -1.32 -0.29 0.17 3.17 0.00 -1.26 -1.18 105.19 104.48 1qck n GLY 21 Ca 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.66 1.61 0.87 -0.83 -3.43 113.55 108.11 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 0.02 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.06 1qck h SER 22 CO 0.00 0.10 0.77 -0.76 -0.53 0.00 0.00 176.83 176.41 1qck s LEU 23 N -5.99 4.36 0.25 2.23 1.43 -0.32 -4.91 118.68 115.73 1qck s LEU 23 Ca 0.04 2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.69 1qck s LEU 23 Cb 0.07 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 1qck s LEU 23 CO 0.72 -0.76 1.54 0.00 0.23 0.00 0.00 176.35 178.08 1qck s ALA 24 N -0.61 3.72 0.00 4.21 0.00 -1.26 -1.64 121.76 126.18 1qck s ALA 24 Ca 0.56 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1qck s ALA 24 Cb -0.44 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1qck s ALA 24 CO 0.53 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1qck n GLY 25 N 2.57 2.64 3.50 0.00 0.00 -1.26 -3.15 105.19 109.48 1qck n GLY 25 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.55 5.10 0.68 -0.61 -1.09 -0.65 -4.80 121.20 117.28 1qck s ILE 26 Ca 0.00 -0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 1qck s ILE 26 Cb 0.00 -3.64 0.12 0.00 -1.58 0.00 0.00 42.46 37.36 1qck s ILE 26 CO 0.00 -0.03 0.93 -0.83 -1.23 0.00 0.00 174.94 173.79 1qck s GLY 27 N 1.69 1.75 0.27 6.18 0.00 -1.26 -4.60 107.32 111.35 1qck s GLY 27 Ca 0.05 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 1qck s GLY 27 CO 0.09 -1.36 1.86 0.83 0.00 0.00 0.00 173.10 174.52 1qck h GLU 28 N -0.31 1.08 -0.34 2.90 5.08 -1.98 0.16 114.58 121.16 1qck h GLU 28 Ca -0.34 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1qck h GLU 28 Cb 1.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1qck h GLU 28 CO 0.40 0.71 -0.00 0.28 -1.00 0.00 0.00 179.01 179.39 1qck h VAL 29 N 1.11 1.26 -0.51 3.13 2.07 -2.00 -2.48 116.25 118.83 1qck h VAL 29 Ca 0.46 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1qck h VAL 29 Cb 0.29 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1qck h VAL 29 CO -0.21 0.32 -0.06 -0.07 0.02 0.00 0.00 177.57 177.57 1qck h LEU 30 N 0.41 0.89 -1.11 2.57 3.38 -1.72 -2.64 115.31 117.09 1qck h LEU 30 Ca 0.10 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1qck h LEU 30 Cb 0.46 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1qck h LEU 30 CO 0.02 0.98 0.60 1.23 0.09 0.00 0.00 178.44 181.36 1qck h GLY 31 N 0.98 1.29 1.08 0.83 0.00 -0.56 -1.72 103.07 104.97 1qck h GLY 31 Ca 0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1qck h GLY 31 CO 0.03 0.44 0.03 0.50 0.00 0.00 0.00 176.54 177.54 1qck h LYS 32 N 1.21 1.10 -0.23 4.80 1.57 -1.09 0.16 116.57 124.08 1qck h LYS 32 Ca 0.34 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1qck h LYS 32 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1qck h LYS 32 CO -0.08 1.05 -0.10 0.87 -0.57 0.00 0.00 179.45 180.62 1qck h LYS 33 N 1.01 0.47 -0.78 3.15 1.57 -1.17 -1.44 116.57 119.37 1qck h LYS 33 Ca 0.18 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1qck h LYS 33 Cb 0.54 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1qck h LYS 33 CO 0.03 0.74 0.29 -0.07 -0.57 0.00 0.00 179.45 179.86 1qck h LEU 34 N 0.19 1.10 -0.92 2.94 3.38 -1.28 -2.39 115.31 118.33 1qck h LEU 34 Ca 0.05 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1qck h LEU 34 Cb 0.59 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1qck h LEU 34 CO 0.03 0.99 0.60 -0.08 0.09 0.00 0.00 178.44 180.07 1qck h GLU 35 N 1.15 1.22 0.00 1.13 4.81 -0.78 0.14 114.58 122.25 1qck h GLU 35 Ca 0.26 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1qck h GLU 35 Cb 0.25 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1qck h GLU 35 CO -0.02 0.81 0.00 1.49 -0.73 0.00 0.00 179.01 180.57 1qck h GLU 36 N 1.25 0.00 -0.27 1.92 4.81 -0.78 -0.72 114.58 120.78 1qck h GLU 36 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1qck h GLU 36 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1qck h GLU 36 CO -0.07 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.75 1qck n ARG 37 N -3.02 1.88 -0.07 1.92 5.12 0.39 -4.89 116.66 118.00 1qck n ARG 37 Ca -0.01 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.57 1qck n ARG 37 Cb 0.21 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 1.17 0.93 2.99 -0.13 0.00 -0.28 -5.02 105.19 104.86 1qck n GLY 38 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 3.57 1.02 1.61 3.01 -0.63 -4.81 117.46 119.17 1qck n PHE 39 Ca 0.00 -3.51 0.14 0.00 1.01 0.00 0.00 57.45 55.09 1qck n PHE 39 Cb 0.00 -1.19 0.63 0.00 -0.01 0.00 0.00 39.48 38.91 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 1.74 0.00 -4.18 4.37 5.75 -1.26 -3.56 116.55 119.40 1qck n ASP 40 Ca 0.25 0.46 -0.15 0.00 -0.01 0.00 0.00 54.79 55.35 1qck n ASP 40 Cb 0.37 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.97 0.85 0.20 0.11 -0.14 -1.26 -4.01 119.74 112.52 1qck s LYS 41 Ca 0.15 -1.15 -0.08 0.00 -1.36 0.00 0.00 55.97 53.53 1qck s LYS 41 Cb 0.19 -0.57 0.13 0.00 -1.68 0.00 0.00 37.83 35.91 1qck s LYS 41 CO 0.52 0.09 1.73 0.00 -0.76 0.00 0.00 175.35 176.94 1qck h ALA 42 N 3.60 0.97 0.00 5.17 0.00 -1.69 -2.55 119.26 124.76 1qck h ALA 42 Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qck h ALA 42 Cb 1.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1qck h ALA 42 CO 0.52 0.67 0.12 0.10 0.00 0.00 0.00 179.25 180.66 1qck h TYR 43 N 1.10 0.00 0.09 0.00 -0.00 -1.85 0.25 116.97 116.56 1qck h TYR 43 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.71 1qck h TYR 43 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.07 1qck h TYR 43 CO 0.03 0.00 -1.15 0.28 -0.00 0.00 0.00 178.16 177.32 1qck h VAL 44 N 0.00 1.52 0.12 -0.90 2.07 -1.85 -2.50 116.25 114.70 1qck h VAL 44 Ca 0.00 -3.02 -0.30 0.00 0.82 0.00 0.00 66.70 64.20 1qck h VAL 44 Cb 0.25 2.85 0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1qck h VAL 44 CO 0.00 0.88 -1.25 0.58 0.02 0.00 0.00 177.57 177.80 1qck h VAL 45 N 0.08 1.28 -0.84 2.57 2.07 -0.71 -2.96 116.25 117.74 1qck h VAL 45 Ca -0.11 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 64.97 1qck h VAL 45 Cb 1.87 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 34.28 1qck h VAL 45 CO 0.19 0.75 0.56 0.25 0.02 0.00 0.00 177.57 179.33 1qck h LEU 46 N 0.29 0.97 -0.91 2.57 5.85 -0.86 -1.28 115.31 121.93 1qck h LEU 46 Ca -0.19 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1qck h LEU 46 Cb 1.92 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.66 1qck h LEU 46 CO 0.24 0.70 0.60 1.23 -0.34 0.00 0.00 178.44 180.87 1qck h GLY 47 N 1.14 1.28 1.02 3.75 0.00 -1.39 -1.91 103.07 106.96 1qck h GLY 47 Ca 0.31 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1qck h GLY 47 CO -0.07 0.47 0.66 -1.61 0.00 0.00 0.00 176.54 175.99 1qck h GLN 48 N 1.23 1.32 -1.01 4.80 5.75 -1.07 0.13 115.11 126.26 1qck h GLN 48 Ca 0.33 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1qck h GLN 48 Cb -0.14 -0.30 -0.05 0.00 1.07 0.00 0.00 27.48 28.06 1qck h GLN 48 CO -0.07 0.88 0.67 0.35 -2.65 0.00 0.00 178.83 178.00 1qck h PHE 49 N 1.36 1.27 -0.35 3.99 3.57 -1.05 -0.97 116.94 124.75 1qck h PHE 49 Ca 0.37 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.74 1qck h PHE 49 Cb -0.15 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.15 1qck h PHE 49 CO 0.00 0.80 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.42 1qck h LEU 50 N 1.36 0.91 -1.89 0.59 3.38 -0.74 -2.74 115.31 116.19 1qck h LEU 50 Ca 0.37 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qck h LEU 50 Cb -0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.33 1qck h LEU 50 CO -0.08 1.19 -0.11 0.58 0.09 0.00 0.00 178.44 180.11 1qck h VAL 51 N 0.70 0.50 -0.42 1.22 2.07 0.21 -1.95 116.25 118.60 1qck h VAL 51 Ca 0.06 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1qck h VAL 51 Cb 0.96 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1qck h VAL 51 CO 0.09 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1qck n LEU 52 N -3.57 3.29 -4.08 2.57 4.77 -0.47 -4.91 117.00 114.61 1qck n LEU 52 Ca -0.02 -1.66 -0.32 0.00 -0.03 0.00 0.00 56.01 53.98 1qck n LEU 52 Cb 0.25 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1qck n LEU 52 CO 0.30 0.56 -0.04 0.29 -1.33 0.00 0.00 177.39 177.16 1qck n LYS 53 N 0.63 -3.80 -1.47 3.23 5.02 -0.73 0.65 118.16 121.68 1qck n LYS 53 Ca 0.17 0.44 -0.17 0.00 -2.02 0.00 0.00 58.31 56.73 1qck n LYS 53 Cb 0.63 -5.06 -0.07 0.00 -0.02 0.00 0.00 35.03 30.51 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 -1.42 -1.98 1.97 5.02 -1.12 -4.86 118.16 111.32 1qck n LYS 54 Ca -0.03 1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.85 1qck n LYS 54 Cb 0.55 -5.32 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 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 -2.44 5.66 0.21 4.39 1.01 0.21 -4.85 116.67 120.85 1qck s ASP 55 Ca 0.00 1.08 -0.09 0.00 0.71 0.00 0.00 52.55 54.25 1qck s ASP 55 Cb 0.00 -2.52 0.14 0.00 1.01 0.00 0.00 42.92 41.55 1qck s ASP 55 CO 0.00 -1.93 1.77 -0.08 0.21 0.00 0.00 175.17 175.13 1qck h GLU 56 N 13.77 1.14 -0.43 8.23 4.81 -1.89 0.10 114.58 140.31 1qck h GLU 56 Ca -0.31 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 1qck h GLU 56 Cb 1.17 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1qck h GLU 56 CO 1.08 0.93 -0.31 -0.44 -0.73 0.00 0.00 179.01 179.54 1qck h ASP 57 N 1.10 1.02 -0.34 1.04 3.32 -1.98 0.87 116.42 121.44 1qck h ASP 57 Ca 0.25 -0.43 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 1qck h ASP 57 Cb 0.22 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1qck h ASP 57 CO -0.02 1.24 -0.46 -0.07 -1.72 0.00 0.00 179.24 178.21 1qck h LEU 58 N 0.81 1.00 -0.01 1.55 3.38 -1.91 -0.81 115.31 119.32 1qck h LEU 58 Ca 0.08 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1qck h LEU 58 Cb 0.91 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1qck h LEU 58 CO 0.08 1.30 0.00 0.15 0.09 0.00 0.00 178.44 180.07 1qck h PHE 59 N 0.73 0.01 -0.35 1.13 3.57 -0.66 0.20 116.94 121.58 1qck h PHE 59 Ca 0.04 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1qck h PHE 59 Cb 1.07 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1qck h PHE 59 CO 0.07 0.20 0.20 0.00 -2.23 0.00 0.00 178.31 176.55 1qck h ARG 60 N -0.18 0.48 -0.73 1.11 3.08 -0.80 0.36 114.38 117.69 1qck h ARG 60 Ca 0.00 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1qck h ARG 60 Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1qck h ARG 60 CO -0.00 0.38 0.20 1.49 -1.07 0.00 0.00 179.97 180.96 1qck h GLU 61 N 0.44 1.15 -0.04 0.04 4.81 -1.06 0.53 114.58 120.45 1qck h GLU 61 Ca 0.12 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1qck h GLU 61 Cb 0.03 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1qck h GLU 61 CO -0.02 1.00 0.02 2.35 -0.73 0.00 0.00 179.01 181.62 1qck h TRP 62 N 1.09 0.06 -0.02 0.92 7.01 -0.13 0.54 115.95 125.42 1qck h TRP 62 Ca 0.23 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1qck h TRP 62 Cb 0.35 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1qck h TRP 62 CO 0.03 0.20 -0.00 1.25 -2.79 0.00 0.00 178.44 177.13 1qck h LEU 63 N -0.09 0.04 -0.25 0.65 5.85 -0.80 0.41 115.31 121.11 1qck h LEU 63 Ca 0.01 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1qck h LEU 63 Cb 0.16 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1qck h LEU 63 CO -0.00 0.38 0.13 0.50 -0.34 0.00 0.00 178.44 179.11 1qck h LYS 64 N -0.30 0.35 0.00 1.25 3.11 -0.89 0.79 116.57 120.88 1qck h LYS 64 Ca 0.01 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.72 1qck h LYS 64 Cb 0.36 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1qck h LYS 64 CO 0.00 0.32 -0.41 0.22 -2.81 0.00 0.00 179.45 176.77 1qck h ASP 65 N 0.29 0.00 0.77 4.20 1.82 0.10 0.68 116.42 124.27 1qck h ASP 65 Ca 0.09 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.48 1qck h ASP 65 Cb 0.07 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 1qck h ASP 65 CO -0.01 0.41 -1.17 0.74 -1.61 0.00 0.00 179.24 177.59 1qck h THR 66 N 0.00 1.56 0.00 2.25 2.02 0.32 -3.42 112.91 115.64 1qck h THR 66 Ca -0.00 -3.19 0.00 0.00 0.77 0.00 0.00 66.41 63.99 1qck h THR 66 Cb 0.74 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1qck h THR 66 CO 0.05 0.92 -0.42 0.00 0.37 0.00 0.00 175.52 176.44 1qck n GLY 68 N 1.48 1.23 3.49 0.00 0.00 0.24 -5.03 105.19 106.60 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 -1.26 -1.96 4.61 0.00 -1.25 -4.94 120.51 114.36 1qck n ALA 69 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1qck n ALA 69 Cb 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.47 5.09 0.46 0.00 0.01 -1.26 -4.58 114.94 113.19 1qck s ASN 70 Ca 0.67 0.14 0.11 0.00 -0.71 0.00 0.00 52.86 53.07 1qck s ASN 70 Cb -0.36 -0.93 1.05 0.00 0.41 0.00 0.00 41.25 41.42 1qck s ASN 70 CO 0.56 -1.32 2.10 0.00 -1.51 0.00 0.00 177.10 176.94 1qck h ALA 71 N -0.17 1.84 -0.23 0.60 0.00 -1.99 -1.72 119.26 117.59 1qck h ALA 71 Ca -0.43 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1qck h ALA 71 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1qck h ALA 71 CO 0.55 0.14 -0.64 0.87 0.00 0.00 0.00 179.25 180.17 1qck h LYS 72 N 0.30 0.85 -0.43 0.00 6.56 -2.00 -2.55 116.57 119.29 1qck h LYS 72 Ca 0.08 -0.60 -0.12 0.00 -1.06 0.00 0.00 60.65 58.96 1qck h LYS 72 Cb -0.03 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1qck h LYS 72 CO -0.02 1.22 -0.20 1.96 -2.06 0.00 0.00 179.45 180.35 1qck h GLN 73 N 0.61 0.85 -0.37 3.15 1.08 -1.74 -2.94 115.11 115.76 1qck h GLN 73 Ca -0.01 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 56.72 1qck h GLN 73 Cb 1.26 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1qck h GLN 73 CO 0.14 0.98 -0.28 0.66 -0.95 0.00 0.00 178.83 179.37 1qck h SER 74 N 0.75 0.80 -0.85 1.46 4.64 -1.33 -2.71 113.55 116.31 1qck h SER 74 Ca 0.10 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1qck h SER 74 Cb 0.73 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1qck h SER 74 CO 0.06 1.03 0.53 0.03 -0.87 0.00 0.00 176.83 177.61 1qck h ARG 75 N 0.66 1.15 -0.47 4.77 3.08 -1.32 -0.65 114.38 121.61 1qck h ARG 75 Ca 0.08 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1qck h ARG 75 Cb 0.81 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1qck h ARG 75 CO 0.07 0.79 -0.24 -0.44 -1.07 0.00 0.00 179.97 179.08 1qck h ASP 76 N 1.18 1.03 -0.48 7.04 3.32 -1.34 -2.41 116.42 124.76 1qck h ASP 76 Ca 0.31 -0.40 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 1qck h ASP 76 Cb -0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1qck h ASP 76 CO -0.06 1.21 -0.24 0.00 -1.72 0.00 0.00 179.24 178.43 1qck h PHE 78 N 0.86 -1.27 -0.38 0.00 3.57 -1.00 0.73 116.94 119.44 1qck h PHE 78 Ca 0.11 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1qck h PHE 78 Cb 0.82 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1qck h PHE 78 CO 0.05 -0.78 0.12 0.78 -2.23 0.00 0.00 178.31 176.26 1qck h GLY 79 N -1.34 0.59 0.68 2.40 0.00 -1.47 0.86 103.07 104.79 1qck h GLY 79 Ca -0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1qck h GLY 79 CO 0.21 0.27 -0.19 0.00 0.00 0.00 0.00 176.54 176.84 1qck h LEU 81 N -0.14 0.95 -0.72 0.00 3.38 0.75 -2.24 115.31 117.29 1qck h LEU 81 Ca 0.00 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1qck h LEU 81 Cb 0.77 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1qck h LEU 81 CO 0.04 1.25 0.18 -0.09 0.09 0.00 0.00 178.44 179.91 1qck h ARG 82 N 0.67 1.15 -0.35 1.13 2.43 0.77 -2.30 114.38 117.88 1qck h ARG 82 Ca 0.04 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 58.81 1qck h ARG 82 Cb 1.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1qck h ARG 82 CO 0.10 1.01 -0.31 0.93 -1.51 0.00 0.00 179.97 180.19 1qck h GLU 83 N 1.09 0.76 -0.45 0.20 4.39 -0.49 -0.89 114.58 119.19 1qck h GLU 83 Ca 0.23 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1qck h GLU 83 Cb 0.37 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1qck h GLU 83 CO 0.00 0.97 0.30 2.35 -1.16 0.00 0.00 179.01 181.47 1qck h TRP 84 N 0.64 0.57 -0.96 4.33 7.01 -1.17 -0.32 115.95 126.05 1qck h TRP 84 Ca 0.07 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1qck h TRP 84 Cb 0.84 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.66 1qck h TRP 84 CO 0.04 0.36 0.59 0.00 -2.79 0.00 0.00 178.44 176.64 1qck h ASP 86 N 1.32 0.90 0.33 0.00 3.32 -0.02 -1.85 116.42 120.42 1qck h ASP 86 Ca 0.35 -0.04 -0.33 0.00 0.02 0.00 0.00 57.03 57.03 1qck h ASP 86 Cb -0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1qck h ASP 86 CO -0.07 0.67 -1.70 0.00 -1.72 0.00 0.00 179.24 176.42 1qck h ALA 87 N 1.49 0.35 -3.00 3.45 0.00 -0.10 -3.45 119.26 118.00 1qck h ALA 87 Ca 0.28 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1qck h ALA 87 Cb -0.08 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qck h ALA 87 CO -0.06 1.21 0.00 1.19 0.00 0.00 0.00 179.25 181.60 1qck n PHE 88 N -3.44 0.00 1.94 0.00 3.72 0.33 -5.10 117.46 114.92 1qck n PHE 88 Ca -0.22 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.34 1qck n PHE 88 Cb 1.05 0.00 0.90 0.00 -0.94 0.00 0.00 39.48 40.49 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60