#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 4.54 0.22 3.17 -4.23 -1.26 -5.03 115.64 113.05 1qck s THR 2 Ca 0.00 1.83 0.04 0.00 -1.18 0.00 0.00 61.69 62.38 1qck s THR 2 Cb 0.00 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 1qck s THR 2 CO 0.00 -0.00 0.36 0.42 -0.54 0.00 0.00 174.62 174.86 1qck s THR 3 N 2.14 5.26 0.95 3.99 -4.23 -1.26 -5.11 115.64 117.39 1qck s THR 3 Ca 0.52 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 60.05 1qck s THR 3 Cb -0.21 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.00 1qck s THR 3 CO 0.19 -0.28 1.31 -0.94 -0.54 0.00 0.00 174.62 174.37 1qck s SER 4 N -3.73 3.20 0.64 3.99 1.04 -1.26 -4.91 113.70 112.67 1qck s SER 4 Ca 0.35 0.29 0.41 0.00 0.48 0.00 0.00 55.95 57.48 1qck s SER 4 Cb -0.10 -0.35 2.25 0.00 0.10 0.00 0.00 66.02 67.92 1qck s SER 4 CO 0.30 -2.68 2.33 1.56 0.98 0.00 0.00 173.24 175.72 1qck h GLN 5 N -1.60 0.00 -0.79 4.02 4.20 -2.01 -2.10 115.11 116.83 1qck h GLN 5 Ca -0.44 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.27 1qck h GLN 5 Cb 1.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 1qck h GLN 5 CO 0.39 0.00 0.53 0.87 -0.67 0.00 0.00 178.83 179.95 1qck h LYS 6 N 0.00 1.04 0.19 1.46 1.57 -1.95 0.20 116.57 119.08 1qck h LYS 6 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1qck h LYS 6 Cb 0.04 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1qck h LYS 6 CO 0.00 0.69 -0.09 1.25 -0.57 0.00 0.00 179.45 180.73 1qck h HIS 7 N 1.07 -0.23 -0.26 -1.35 2.76 -1.72 0.90 115.15 116.32 1qck h HIS 7 Ca 0.29 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1qck h HIS 7 Cb -0.12 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1qck h HIS 7 CO -0.00 -0.15 -0.42 0.00 -1.30 0.00 0.00 177.93 176.07 1qck h ARG 8 N -0.25 0.63 -0.34 5.26 3.08 -1.63 -2.50 114.38 118.62 1qck h ARG 8 Ca -0.03 -0.33 -0.17 0.00 0.07 0.00 0.00 59.98 59.52 1qck h ARG 8 Cb 0.19 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1qck h ARG 8 CO 0.04 0.93 -0.46 -0.44 -1.07 0.00 0.00 179.97 178.97 1qck h ASP 9 N 0.51 1.00 -0.64 7.04 3.32 -0.40 -2.80 116.42 124.46 1qck h ASP 9 Ca 0.04 -0.50 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1qck h ASP 9 Cb 0.94 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1qck h ASP 9 CO 0.08 1.30 0.18 0.15 -1.72 0.00 0.00 179.24 179.23 1qck h PHE 10 N 0.73 1.05 -0.14 4.55 3.57 0.94 -1.69 116.94 125.95 1qck h PHE 10 Ca 0.04 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1qck h PHE 10 Cb 1.07 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1qck h PHE 10 CO 0.07 0.87 0.00 1.33 -2.23 0.00 0.00 178.31 178.34 1qck n VAL 11 N -4.34 0.43 0.16 1.41 0.24 -0.95 -3.39 118.33 111.89 1qck n VAL 11 Ca 0.04 -0.26 0.02 0.00 -2.04 0.00 0.00 64.34 62.09 1qck n VAL 11 Cb 0.23 -0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.38 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 0.06 2.44 -3.25 2.33 0.00 -0.65 -4.94 120.51 116.52 1qck n ALA 12 Ca 0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1qck n ALA 12 Cb 0.31 -0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.30 0.66 1.01 0.00 -1.05 -1.13 -5.07 118.70 111.81 1qck s GLU 13 Ca 0.01 -0.13 -0.23 0.00 -0.15 0.00 0.00 54.97 54.47 1qck s GLU 13 Cb 0.03 0.29 -0.16 0.00 -0.44 0.00 0.00 34.13 33.85 1qck s GLU 13 CO 0.14 -0.18 -1.16 -2.30 0.95 0.00 0.00 175.26 172.71 1qck n PRO 14 N 1.39 -0.10 0.01 -4.83 -0.02 -1.26 -4.83 135.00 125.36 1qck n PRO 14 Ca -0.21 -0.03 0.01 0.00 -2.02 0.00 0.00 63.50 61.26 1qck n PRO 14 Cb 0.56 -1.07 -0.10 0.00 -0.02 0.00 0.00 33.50 32.87 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 2.10 0.63 0.00 -0.52 0.00 -1.26 -5.02 117.12 113.05 1qck n MET 15 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1qck n MET 15 Cb 0.68 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 32.17 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 1.41 2.04 1.44 3.17 0.00 -1.26 -2.31 105.19 109.67 1qck n GLY 16 Ca -0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 13.09 1.93 -1.74 1.61 1.02 -1.26 -4.71 120.64 130.58 1qck n GLU 17 Ca 0.00 -3.16 -0.37 0.00 -0.02 0.00 0.00 57.16 53.61 1qck n GLU 17 Cb 0.00 -1.91 0.06 0.00 -0.02 0.00 0.00 31.44 29.58 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 -3.27 2.64 0.76 3.49 1.02 -0.98 -4.83 119.74 118.57 1qck s LYS 18 Ca 0.48 2.10 -0.15 0.00 0.02 0.00 0.00 55.97 58.42 1qck s LYS 18 Cb 0.43 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.88 1qck s LYS 18 CO 0.02 -1.54 1.24 -1.25 -0.92 0.00 0.00 175.35 172.90 1qck s PRO 19 N -3.30 1.92 0.20 -1.68 0.04 -1.26 -2.85 135.00 128.07 1qck s PRO 19 Ca 0.81 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 63.62 1qck s PRO 19 Cb -0.38 -1.79 0.21 0.00 0.04 0.00 0.00 34.50 32.57 1qck s PRO 19 CO 0.41 -2.03 1.82 -0.24 0.04 0.00 0.00 177.00 177.00 1qck h VAL 20 N -0.43 1.01 0.00 -0.36 3.04 -1.79 -0.55 116.25 117.17 1qck h VAL 20 Ca -0.48 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1qck h VAL 20 Cb 1.31 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1qck h VAL 20 CO 0.48 0.13 0.04 0.61 -1.01 0.00 0.00 177.57 177.82 1qck n GLY 21 N -1.28 -0.10 0.15 3.17 0.00 -1.26 -0.13 105.19 105.73 1qck n GLY 21 Ca 0.07 0.00 0.05 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 -3.51 1.61 0.87 -1.37 -3.45 113.55 107.70 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 0.07 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.11 1qck h SER 22 CO 0.00 0.34 0.78 -0.76 -0.53 0.00 0.00 176.83 176.67 1qck s LEU 23 N -6.18 4.37 0.23 2.23 1.43 0.81 -4.92 118.68 116.64 1qck s LEU 23 Ca 0.03 2.81 -0.30 0.00 -1.03 0.00 0.00 54.13 55.64 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 0.74 -0.77 1.43 0.00 0.23 0.00 0.00 176.35 177.98 1qck s ALA 24 N -0.30 3.62 0.00 4.21 0.00 -1.26 -2.19 121.76 125.84 1qck s ALA 24 Ca 0.58 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1qck s ALA 24 Cb -0.44 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1qck s ALA 24 CO 0.49 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1qck n GLY 25 N 2.41 3.47 3.52 0.00 0.00 -1.26 -3.38 105.19 109.95 1qck n GLY 25 Ca 0.07 0.00 -0.41 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 -2.99 5.27 0.72 -0.61 -1.09 -0.93 -4.87 121.20 116.69 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 -3.77 0.13 0.00 -1.58 0.00 0.00 42.46 37.24 1qck s ILE 26 CO 0.00 -0.08 0.99 -0.83 -1.23 0.00 0.00 174.94 173.78 1qck s GLY 27 N 1.72 1.75 0.27 6.18 0.00 -1.26 -4.70 107.32 111.28 1qck s GLY 27 Ca 0.06 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 42.96 1qck s GLY 27 CO 0.11 -1.23 1.89 0.83 0.00 0.00 0.00 173.10 174.69 1qck h GLU 28 N -0.49 1.11 -0.10 2.90 4.39 -1.98 0.77 114.58 121.19 1qck h GLU 28 Ca -0.35 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 1qck h GLU 28 Cb 1.27 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1qck h GLU 28 CO 0.39 0.74 -0.00 0.28 -1.16 0.00 0.00 179.01 179.26 1qck h VAL 29 N 1.15 1.26 -0.50 3.13 2.07 -1.99 -0.00 116.25 121.36 1qck h VAL 29 Ca 0.43 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1qck h VAL 29 Cb 0.18 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1qck h VAL 29 CO -0.17 0.23 -0.19 -0.07 0.02 0.00 0.00 177.57 177.39 1qck h LEU 30 N -0.11 1.04 -0.82 2.57 3.38 -1.77 -2.88 115.31 116.72 1qck h LEU 30 Ca 0.03 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1qck h LEU 30 Cb 0.36 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1qck h LEU 30 CO 0.01 1.19 0.34 1.23 0.09 0.00 0.00 178.44 181.29 1qck h GLY 31 N 0.88 1.30 1.01 0.83 0.00 0.62 -2.53 103.07 105.18 1qck h GLY 31 Ca 0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1qck h GLY 31 CO 0.06 0.66 0.52 1.70 0.00 0.00 0.00 176.54 179.48 1qck h LYS 32 N 1.18 1.16 -0.53 4.80 3.64 -0.79 -1.44 116.57 124.59 1qck h LYS 32 Ca 0.27 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1qck h LYS 32 Cb 0.20 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1qck h LYS 32 CO -0.02 0.81 -0.13 0.87 -2.27 0.00 0.00 179.45 178.70 1qck h LYS 33 N 1.17 1.02 -0.89 1.90 1.57 -1.29 -2.55 116.57 117.51 1qck h LYS 33 Ca 0.31 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1qck h LYS 33 Cb -0.05 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1qck h LYS 33 CO -0.06 1.08 0.47 -0.07 -0.57 0.00 0.00 179.45 180.30 1qck h LEU 34 N 0.89 1.13 -0.92 2.94 3.38 -1.08 -2.09 115.31 119.57 1qck h LEU 34 Ca 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qck h LEU 34 Cb 0.71 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1qck h LEU 34 CO 0.05 0.92 0.60 -0.33 0.09 0.00 0.00 178.44 179.77 1qck h GLU 35 N 1.25 1.21 0.00 1.13 5.08 -0.99 0.78 114.58 123.04 1qck h GLU 35 Ca 0.31 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1qck h GLU 35 Cb 0.05 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1qck h GLU 35 CO -0.05 0.80 0.00 0.93 -1.00 0.00 0.00 179.01 179.70 1qck h GLU 36 N 1.24 0.00 -0.02 2.33 5.08 -1.01 -1.96 114.58 120.24 1qck h GLU 36 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1qck h GLU 36 Cb -0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1qck h GLU 36 CO -0.07 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.48 1qck n ARG 37 N -3.01 1.60 0.00 2.33 5.12 0.18 -4.89 116.66 117.98 1qck n ARG 37 Ca 0.00 -0.87 0.00 0.00 -1.93 0.00 0.00 57.85 55.05 1qck n ARG 37 Cb 0.27 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 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 1.16 0.89 3.11 -0.13 0.00 -0.74 -5.03 105.19 104.45 1qck n GLY 38 Ca 0.19 0.00 -0.42 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 -1.30 3.87 0.79 1.61 3.01 -0.66 -4.82 117.46 119.96 1qck n PHE 39 Ca 0.00 -3.47 0.12 0.00 1.01 0.00 0.00 57.45 55.11 1qck n PHE 39 Cb 0.00 -1.37 0.51 0.00 -0.01 0.00 0.00 39.48 38.61 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 1.98 0.19 -4.16 4.37 5.75 -1.26 -3.67 116.55 119.73 1qck n ASP 40 Ca 0.25 0.52 -0.12 0.00 -0.01 0.00 0.00 54.79 55.43 1qck n ASP 40 Cb 0.37 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 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 -3.04 0.81 0.12 0.11 -0.14 -1.26 -4.28 119.74 112.06 1qck s LYS 41 Ca 0.11 -1.23 -0.16 0.00 -1.36 0.00 0.00 55.97 53.33 1qck s LYS 41 Cb 0.15 -0.30 -0.02 0.00 -1.68 0.00 0.00 37.83 35.98 1qck s LYS 41 CO 0.48 0.01 1.61 0.00 -0.76 0.00 0.00 175.35 176.69 1qck h ALA 42 N 3.26 0.50 0.00 5.17 0.00 -1.70 -2.79 119.26 123.70 1qck h ALA 42 Ca -0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1qck h ALA 42 Cb 1.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1qck h ALA 42 CO 0.59 0.19 0.17 0.10 0.00 0.00 0.00 179.25 180.31 1qck h TYR 43 N 0.46 0.00 0.04 0.00 -0.00 -1.84 0.39 116.97 116.02 1qck h TYR 43 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.62 1qck h TYR 43 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.05 1qck h TYR 43 CO 0.02 0.00 -1.08 0.28 -0.00 0.00 0.00 178.16 177.38 1qck h VAL 44 N 0.00 1.64 0.03 -0.90 2.07 -1.89 -2.82 116.25 114.38 1qck h VAL 44 Ca 0.00 -3.32 -0.27 0.00 0.82 0.00 0.00 66.70 63.94 1qck h VAL 44 Cb 0.35 2.87 0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1qck h VAL 44 CO 0.00 0.95 -1.08 0.58 0.02 0.00 0.00 177.57 178.04 1qck h VAL 45 N 0.02 1.32 -0.83 2.57 2.07 -0.34 -2.97 116.25 118.08 1qck h VAL 45 Ca -0.05 -2.38 0.01 0.00 0.82 0.00 0.00 66.70 65.10 1qck h VAL 45 Cb 1.83 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 34.04 1qck h VAL 45 CO 0.15 0.73 0.55 0.25 0.02 0.00 0.00 177.57 179.27 1qck h LEU 46 N 0.32 0.95 -0.63 2.57 5.85 -1.26 -1.47 115.31 121.63 1qck h LEU 46 Ca -0.13 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.68 1qck h LEU 46 Cb 1.73 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.44 1qck h LEU 46 CO 0.20 0.68 0.19 1.23 -0.34 0.00 0.00 178.44 180.41 1qck h GLY 47 N 1.11 0.87 1.01 3.75 0.00 -1.34 -0.09 103.07 108.38 1qck h GLY 47 Ca 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1qck h GLY 47 CO -0.07 -0.08 0.53 -1.61 0.00 0.00 0.00 176.54 175.31 1qck h GLN 48 N 0.34 1.07 -0.95 4.80 5.75 -1.21 0.18 115.11 125.09 1qck h GLN 48 Ca 0.33 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.77 1qck h GLN 48 Cb 0.47 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.73 1qck h GLN 48 CO -0.37 0.71 0.63 0.35 -2.65 0.00 0.00 178.83 177.50 1qck h PHE 49 N 1.10 1.20 -0.38 3.99 3.57 -0.85 -0.29 116.94 125.28 1qck h PHE 49 Ca 0.30 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.67 1qck h PHE 49 Cb -0.12 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.21 1qck h PHE 49 CO -0.01 0.75 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.36 1qck h LEU 50 N 1.29 0.98 -1.68 0.59 3.38 -0.28 -2.81 115.31 116.79 1qck h LEU 50 Ca 0.35 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1qck h LEU 50 Cb -0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.33 1qck h LEU 50 CO -0.08 1.24 -0.07 0.58 0.09 0.00 0.00 178.44 180.21 1qck h VAL 51 N 0.75 0.23 -0.33 1.22 2.07 0.12 -2.69 116.25 117.61 1qck h VAL 51 Ca 0.06 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1qck h VAL 51 Cb 0.98 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1qck h VAL 51 CO 0.09 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1qck n LEU 52 N -3.26 2.49 -3.37 2.57 4.77 -0.19 -4.89 117.00 115.11 1qck n LEU 52 Ca -0.00 -1.25 -0.24 0.00 -0.03 0.00 0.00 56.01 54.49 1qck n LEU 52 Cb 0.29 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1qck n LEU 52 CO 0.28 0.47 -0.02 0.29 -1.33 0.00 0.00 177.39 177.08 1qck n LYS 53 N 0.47 -3.78 -1.45 3.23 5.02 -1.02 -0.19 118.16 120.44 1qck n LYS 53 Ca 0.13 0.55 -0.16 0.00 -2.02 0.00 0.00 58.31 56.81 1qck n LYS 53 Cb 0.47 -5.30 -0.07 0.00 -0.02 0.00 0.00 35.03 30.11 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 -3.86 -1.41 -2.03 1.97 5.02 -1.17 -4.86 118.16 111.82 1qck n LYS 54 Ca -0.02 0.96 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 1qck n LYS 54 Cb 0.55 -5.26 -0.03 0.00 -0.02 0.00 0.00 35.03 30.27 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 -2.38 5.62 0.22 4.39 1.01 0.73 -4.84 116.67 121.41 1qck s ASP 55 Ca 0.00 0.84 -0.07 0.00 0.71 0.00 0.00 52.55 54.02 1qck s ASP 55 Cb 0.00 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.58 1qck s ASP 55 CO 0.00 -2.01 1.79 -0.08 0.21 0.00 0.00 175.17 175.09 1qck h GLU 56 N 13.77 1.21 -0.58 8.23 4.81 -1.89 0.39 114.58 140.51 1qck h GLU 56 Ca -0.30 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1qck h GLU 56 Cb 1.16 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1qck h GLU 56 CO 1.12 0.96 -0.05 -0.44 -0.73 0.00 0.00 179.01 179.87 1qck h ASP 57 N 1.18 1.05 -0.11 1.04 3.32 -1.99 0.68 116.42 121.59 1qck h ASP 57 Ca 0.28 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.83 1qck h ASP 57 Cb 0.18 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1qck h ASP 57 CO -0.03 1.12 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.99 1qck h LEU 58 N 0.95 0.78 -0.57 1.55 3.38 -1.90 -2.86 115.31 116.64 1qck h LEU 58 Ca 0.16 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1qck h LEU 58 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1qck h LEU 58 CO 0.04 1.18 0.14 0.15 0.09 0.00 0.00 178.44 180.04 1qck h PHE 59 N 0.54 0.95 -0.15 1.13 3.57 -0.62 -1.16 116.94 121.19 1qck h PHE 59 Ca 0.01 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1qck h PHE 59 Cb 1.13 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1qck h PHE 59 CO 0.06 0.82 0.10 0.00 -2.23 0.00 0.00 178.31 177.05 1qck h ARG 60 N 0.81 0.20 -0.63 1.11 3.08 -0.77 -0.24 114.38 117.94 1qck h ARG 60 Ca 0.18 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1qck h ARG 60 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1qck h ARG 60 CO 0.00 0.14 0.02 1.49 -1.07 0.00 0.00 179.97 180.55 1qck h GLU 61 N 0.20 1.09 0.01 0.04 4.81 -1.41 -0.09 114.58 119.22 1qck h GLU 61 Ca 0.05 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1qck h GLU 61 Cb -0.02 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1qck h GLU 61 CO -0.01 1.04 -0.00 2.35 -0.73 0.00 0.00 179.01 181.65 1qck h TRP 62 N 1.00 -0.01 -0.07 0.92 7.01 -0.86 0.62 115.95 124.56 1qck h TRP 62 Ca 0.18 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1qck h TRP 62 Cb 0.54 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1qck h TRP 62 CO 0.04 0.07 -0.04 1.25 -2.79 0.00 0.00 178.44 176.98 1qck h LEU 63 N -0.10 0.16 -0.25 0.65 5.85 -0.99 0.31 115.31 120.95 1qck h LEU 63 Ca -0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1qck h LEU 63 Cb 0.09 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1qck h LEU 63 CO 0.00 0.54 0.12 0.50 -0.34 0.00 0.00 178.44 179.27 1qck h LYS 64 N -0.22 0.35 -0.01 1.25 3.64 -0.98 0.17 116.57 120.78 1qck h LYS 64 Ca 0.02 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1qck h LYS 64 Cb 0.48 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1qck h LYS 64 CO 0.01 0.35 -0.43 0.22 -2.27 0.00 0.00 179.45 177.32 1qck h ASP 65 N 0.27 0.01 0.80 4.20 1.82 0.25 0.60 116.42 124.38 1qck h ASP 65 Ca 0.09 -0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.48 1qck h ASP 65 Cb 0.11 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1qck h ASP 65 CO -0.01 0.44 -1.14 0.74 -1.61 0.00 0.00 179.24 177.67 1qck h THR 66 N 0.01 1.59 0.00 2.25 2.02 0.10 -3.43 112.91 115.46 1qck h THR 66 Ca -0.00 -3.23 0.00 0.00 0.77 0.00 0.00 66.41 63.94 1qck h THR 66 Cb 0.77 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1qck h THR 66 CO 0.06 0.93 -0.35 0.00 0.37 0.00 0.00 175.52 176.53 1qck n GLY 68 N 1.79 1.47 3.49 0.00 0.00 0.21 -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 -0.84 -1.13 -1.97 4.61 0.00 -1.26 -4.93 120.51 115.00 1qck n ALA 69 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1qck n ALA 69 Cb 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.38 4.68 0.37 0.00 0.02 -1.26 -4.62 114.94 112.75 1qck s ASN 70 Ca 0.68 -0.03 0.05 0.00 -1.02 0.00 0.00 52.86 52.54 1qck s ASN 70 Cb -0.38 -0.55 0.72 0.00 0.02 0.00 0.00 41.25 41.05 1qck s ASN 70 CO 0.55 -1.62 1.98 0.00 0.02 0.00 0.00 177.10 178.03 1qck h ALA 71 N -0.41 1.54 -0.30 0.60 0.00 -2.00 -1.41 119.26 117.28 1qck h ALA 71 Ca -0.40 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1qck h ALA 71 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1qck h ALA 71 CO 0.48 0.36 -0.54 -0.22 0.00 0.00 0.00 179.25 179.33 1qck h LYS 72 N 0.59 0.89 -0.55 0.00 3.64 -2.01 -2.89 116.57 116.24 1qck h LYS 72 Ca 0.15 -0.56 -0.10 0.00 -1.27 0.00 0.00 60.65 58.86 1qck h LYS 72 Cb 0.09 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1qck h LYS 72 CO -0.02 1.20 -0.06 1.96 -2.27 0.00 0.00 179.45 180.26 1qck h GLN 73 N 0.68 1.00 -0.71 1.90 1.08 -1.78 -2.83 115.11 114.45 1qck h GLN 73 Ca 0.02 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 56.84 1qck h GLN 73 Cb 1.15 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 1qck h GLN 73 CO 0.12 1.02 0.29 0.77 -0.95 0.00 0.00 178.83 180.08 1qck h SER 74 N 0.90 0.96 -1.00 1.46 0.02 -1.25 -2.48 113.55 112.15 1qck h SER 74 Ca 0.15 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1qck h SER 74 Cb 0.61 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1qck h SER 74 CO 0.04 0.85 0.66 0.03 -1.14 0.00 0.00 176.83 177.27 1qck h ARG 75 N 1.03 1.32 -0.42 3.45 2.47 -1.28 -0.65 114.38 120.31 1qck h ARG 75 Ca 0.24 -0.08 -0.15 0.00 -1.26 0.00 0.00 59.98 58.73 1qck h ARG 75 Cb 0.18 -0.30 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1qck h ARG 75 CO -0.02 0.88 -0.34 -0.44 0.56 0.00 0.00 179.97 180.61 1qck h ASP 76 N 1.36 1.01 -0.36 7.04 3.32 -1.34 -2.61 116.42 124.84 1qck h ASP 76 Ca 0.37 -0.44 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 1qck h ASP 76 Cb -0.16 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.11 1qck h ASP 76 CO -0.08 1.24 -0.43 0.00 -1.72 0.00 0.00 179.24 178.25 1qck h PHE 78 N 0.74 -1.14 -0.22 0.00 3.57 -1.07 0.14 116.94 118.96 1qck h PHE 78 Ca 0.05 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1qck h PHE 78 Cb 1.03 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1qck h PHE 78 CO 0.07 -0.71 0.03 0.78 -2.23 0.00 0.00 178.31 176.25 1qck h GLY 79 N -1.29 0.33 0.59 2.40 0.00 -1.55 0.38 103.07 103.93 1qck h GLY 79 Ca -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1qck h GLY 79 CO 0.21 0.15 -0.01 0.00 0.00 0.00 0.00 176.54 176.89 1qck h LEU 81 N -0.38 1.00 -0.83 0.00 3.38 -0.46 -1.98 115.31 116.04 1qck h LEU 81 Ca 0.00 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1qck h LEU 81 Cb 0.44 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1qck h LEU 81 CO 0.00 1.28 0.43 -0.09 0.09 0.00 0.00 178.44 180.15 1qck h ARG 82 N 0.75 1.18 -0.32 1.13 2.43 -0.23 -1.54 114.38 117.78 1qck h ARG 82 Ca 0.05 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 58.91 1qck h ARG 82 Cb 1.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1qck h ARG 82 CO 0.10 0.89 -0.42 0.93 -1.51 0.00 0.00 179.97 179.95 1qck h GLU 83 N 1.17 0.81 -0.31 0.20 4.39 -0.89 -1.95 114.58 118.00 1qck h GLU 83 Ca 0.29 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1qck h GLU 83 Cb 0.08 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1qck h GLU 83 CO -0.04 1.07 0.17 2.35 -1.16 0.00 0.00 179.01 181.40 1qck h TRP 84 N 0.65 0.43 -1.00 4.33 7.01 -1.00 -2.43 115.95 123.94 1qck h TRP 84 Ca 0.05 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.04 1qck h TRP 84 Cb 0.99 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.87 1qck h TRP 84 CO 0.06 0.35 0.65 0.00 -2.79 0.00 0.00 178.44 176.71 1qck h ASP 86 N 1.36 0.11 0.21 0.00 3.32 -0.89 1.81 116.42 122.33 1qck h ASP 86 Ca 0.36 -0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.07 1qck h ASP 86 Cb -0.14 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1qck h ASP 86 CO -0.08 0.07 -2.04 0.00 -1.72 0.00 0.00 179.24 175.48 1qck n ALA 87 N -2.54 1.29 0.55 3.45 0.00 -0.33 -4.51 120.51 118.42 1qck n ALA 87 Ca 0.01 -0.86 0.06 0.00 0.00 0.00 0.00 53.44 52.65 1qck n ALA 87 Cb 0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 0.00 1.20 0.00 3.01 0.15 -5.11 117.46 113.54 1qck n PHE 88 Ca -0.29 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.30 1qck n PHE 88 Cb 1.06 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.80 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66