#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8u h PRO 4 N 0.00 0.13 -0.17 0.00 0.11 -2.06 -3.43 132.00 126.58 1k8u h PRO 4 Ca 0.00 -0.22 -0.13 0.00 0.11 0.00 0.00 66.00 65.76 1k8u h PRO 4 Cb 0.00 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1k8u h PRO 4 CO 0.00 1.11 -0.45 1.25 -0.21 0.00 0.00 178.00 179.70 1k8u h LEU 5 N -0.65 0.46 -1.00 2.35 5.85 -2.05 -0.69 115.31 119.57 1k8u h LEU 5 Ca -0.22 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1k8u h LEU 5 Cb 1.45 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1k8u h LEU 5 CO -0.01 0.84 0.09 0.44 -0.34 0.00 0.00 178.44 179.46 1k8u h ASP 6 N 0.35 0.76 -0.52 1.25 3.32 -1.99 -1.09 116.42 118.49 1k8u h ASP 6 Ca 0.02 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1k8u h ASP 6 Cb 0.92 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1k8u h ASP 6 CO 0.08 0.77 0.26 -0.61 -1.72 0.00 0.00 179.24 178.03 1k8u h GLN 7 N 0.77 0.74 -0.06 3.56 4.15 -1.70 -0.27 115.11 122.31 1k8u h GLN 7 Ca 0.16 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1k8u h GLN 7 Cb 0.34 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1k8u h GLN 7 CO 0.00 0.60 0.04 0.00 -1.93 0.00 0.00 178.83 177.54 1k8u h ALA 8 N 1.10 0.07 -0.69 3.38 0.00 -0.81 -1.08 119.26 121.23 1k8u h ALA 8 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1k8u h ALA 8 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1k8u h ALA 8 CO -0.03 -0.43 0.33 0.82 0.00 0.00 0.00 179.25 179.94 1k8u h ILE 9 N 0.07 1.23 -0.95 0.00 2.04 -1.00 -0.91 117.51 117.99 1k8u h ILE 9 Ca 0.02 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1k8u h ILE 9 Cb -0.00 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1k8u h ILE 9 CO -0.00 0.27 0.61 1.23 0.00 0.00 0.00 178.15 180.26 1k8u h GLY 10 N 0.97 1.34 1.03 5.37 0.00 -0.71 -0.67 103.07 110.40 1k8u h GLY 10 Ca 0.24 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1k8u h GLY 10 CO -0.03 0.50 -0.04 1.41 0.00 0.00 0.00 176.54 178.38 1k8u h LEU 11 N 1.29 0.89 -0.55 3.11 3.38 -0.88 -0.78 115.31 121.77 1k8u h LEU 11 Ca 0.34 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1k8u h LEU 11 Cb -0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.33 1k8u h LEU 11 CO -0.07 1.01 0.29 -0.07 0.09 0.00 0.00 178.44 179.68 1k8u h LEU 12 N 0.76 0.42 -0.44 1.67 3.38 -0.63 -0.53 115.31 119.93 1k8u h LEU 12 Ca 0.13 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1k8u h LEU 12 Cb 0.58 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1k8u h LEU 12 CO 0.03 0.28 0.07 0.58 0.09 0.00 0.00 178.44 179.49 1k8u h VAL 13 N 0.55 1.25 -0.41 1.22 2.07 -1.02 -1.80 116.25 118.11 1k8u h VAL 13 Ca 0.24 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1k8u h VAL 13 Cb 0.15 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1k8u h VAL 13 CO -0.17 0.31 0.24 0.00 0.02 0.00 0.00 177.57 177.98 1k8u h ALA 14 N 0.94 0.52 -0.37 1.67 0.00 -0.73 -0.95 119.26 120.33 1k8u h ALA 14 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1k8u h ALA 14 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1k8u h ALA 14 CO 0.01 0.02 -0.22 0.82 0.00 0.00 0.00 179.25 179.88 1k8u h ILE 15 N 0.53 1.27 0.06 0.00 1.08 -1.08 -0.81 117.51 118.56 1k8u h ILE 15 Ca 0.14 -1.31 0.02 0.00 -0.39 0.00 0.00 64.86 63.33 1k8u h ILE 15 Cb 0.02 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1k8u h ILE 15 CO -0.03 0.43 -0.20 0.15 -0.69 0.00 0.00 178.15 177.82 1k8u h PHE 16 N 0.63 -0.53 0.00 1.37 3.57 -1.05 -2.66 116.94 118.27 1k8u h PHE 16 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1k8u h PHE 16 Cb 0.71 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1k8u h PHE 16 CO 0.03 -0.29 -0.16 0.45 -2.23 0.00 0.00 178.31 176.11 1k8u h HIS 17 N -0.36 0.00 -1.00 0.41 3.86 -0.85 0.26 115.15 117.47 1k8u h HIS 17 Ca 0.04 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1k8u h HIS 17 Cb 0.40 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 1k8u h HIS 17 CO -0.22 0.16 0.66 -0.22 0.86 0.00 0.00 177.93 179.17 1k8u h LYS 18 N 0.00 1.26 0.06 2.45 3.64 -0.79 -1.80 116.57 121.39 1k8u h LYS 18 Ca -0.00 -0.08 -0.37 0.00 -1.27 0.00 0.00 60.65 58.94 1k8u h LYS 18 Cb 0.42 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1k8u h LYS 18 CO 0.02 0.84 -2.17 0.66 -2.27 0.00 0.00 179.45 176.52 1k8u n TYR 19 N -4.42 0.67 0.23 1.91 4.02 -0.88 -4.30 117.16 114.40 1k8u n TYR 19 Ca 0.13 0.16 0.07 0.00 -0.01 0.00 0.00 57.90 58.25 1k8u n TYR 19 Cb 0.06 -1.09 0.54 0.00 -0.02 0.00 0.00 39.34 38.83 1k8u n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1k8u h SER 20 N 0.03 0.00 0.97 7.72 4.64 -0.49 -2.06 113.55 124.36 1k8u h SER 20 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1k8u h SER 20 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1k8u h SER 20 CO 0.02 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1k8u n GLY 21 N -0.74 -1.40 0.27 -0.77 0.00 -0.68 -3.96 105.19 97.91 1k8u n GLY 21 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 1k8u n GLY 21 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k8u h ARG 22 N 0.00 0.60 -3.36 1.61 3.08 -1.55 -3.43 114.38 111.33 1k8u h ARG 22 Ca 0.00 -0.16 -0.20 0.00 0.07 0.00 0.00 59.98 59.69 1k8u h ARG 22 Cb 0.48 -0.07 -0.27 0.00 0.08 0.00 0.00 29.97 30.19 1k8u h ARG 22 CO 0.00 0.66 -0.55 -1.83 -1.07 0.00 0.00 179.97 177.18 1k8u s GLU 23 N -4.86 0.16 7.22 0.04 -1.05 -1.25 -5.11 118.70 113.85 1k8u s GLU 23 Ca -0.08 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1k8u s GLU 23 Cb 0.15 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1k8u s GLU 23 CO 0.79 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 177.37 1k8u n GLY 24 N 3.16 3.11 3.71 -3.83 0.00 -1.26 -4.67 105.19 105.40 1k8u n GLY 24 Ca -0.14 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1k8u n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k8u s ASP 25 N -4.00 6.51 0.00 1.61 2.15 -1.26 -4.91 116.67 116.77 1k8u s ASP 25 Ca 0.00 2.68 0.21 0.00 0.43 0.00 0.00 52.55 55.87 1k8u s ASP 25 Cb 0.00 -2.59 0.99 0.00 -0.30 0.00 0.00 42.92 41.03 1k8u s ASP 25 CO 0.00 -0.89 1.68 2.29 -0.17 0.00 0.00 175.17 178.08 1k8u n LYS 26 N 4.40 0.16 0.00 4.34 2.85 -1.26 -2.68 118.16 125.97 1k8u n LYS 26 Ca 0.15 0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 1k8u n LYS 26 Cb 0.38 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.76 1k8u n LYS 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1k8u n HIS 27 N -1.39 0.00 -4.10 5.58 8.25 -1.26 -4.61 115.22 117.69 1k8u n HIS 27 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 1k8u n HIS 27 Cb 0.21 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 30.91 1k8u n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1k8u s THR 28 N -2.82 0.11 0.03 1.59 -4.23 -1.09 -3.95 115.64 105.28 1k8u s THR 28 Ca 0.18 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1k8u s THR 28 Cb 0.19 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1k8u s THR 28 CO 0.56 -0.51 0.03 -1.48 -0.54 0.00 0.00 174.62 172.68 1k8u s LEU 29 N -3.01 2.08 0.70 4.79 2.34 -0.57 -4.52 118.68 120.49 1k8u s LEU 29 Ca 0.20 -0.58 -0.11 0.00 0.06 0.00 0.00 54.13 53.70 1k8u s LEU 29 Cb 0.07 0.34 0.01 0.00 -0.56 0.00 0.00 46.19 46.05 1k8u s LEU 29 CO -0.00 -0.43 1.07 -0.94 -1.06 0.00 0.00 176.35 174.98 1k8u s SER 30 N -1.96 5.46 0.41 1.48 1.04 -1.26 -0.36 113.70 118.51 1k8u s SER 30 Ca -0.08 1.39 0.17 0.00 0.48 0.00 0.00 55.95 57.91 1k8u s SER 30 Cb -0.03 -2.27 0.91 0.00 0.10 0.00 0.00 66.02 64.72 1k8u s SER 30 CO -0.04 -1.36 1.89 0.11 0.98 0.00 0.00 173.24 174.82 1k8u h LYS 31 N -0.67 0.00 -0.43 4.02 1.57 -0.80 0.44 116.57 120.70 1k8u h LYS 31 Ca -0.45 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1k8u h LYS 31 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1k8u h LYS 31 CO 0.60 0.29 0.26 -0.22 -0.57 0.00 0.00 179.45 179.82 1k8u h LYS 32 N 0.00 0.52 -0.59 3.15 3.64 -1.45 -0.84 116.57 121.00 1k8u h LYS 32 Ca -0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1k8u h LYS 32 Cb 0.56 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1k8u h LYS 32 CO 0.04 0.34 0.04 0.93 -2.27 0.00 0.00 179.45 178.53 1k8u h GLU 33 N 0.54 1.00 -0.82 1.90 5.08 -1.60 -2.21 114.58 118.45 1k8u h GLU 33 Ca 0.17 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1k8u h GLU 33 Cb -0.01 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1k8u h GLU 33 CO -0.07 0.95 0.38 1.25 -1.00 0.00 0.00 179.01 180.53 1k8u h LEU 34 N 0.93 1.09 -0.64 1.33 5.85 -0.62 0.66 115.31 123.91 1k8u h LEU 34 Ca 0.18 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1k8u h LEU 34 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1k8u h LEU 34 CO 0.02 0.93 0.41 0.50 -0.34 0.00 0.00 178.44 179.96 1k8u h LYS 35 N 1.17 0.85 -0.51 1.25 3.64 -0.88 -0.75 116.57 121.35 1k8u h LYS 35 Ca 0.28 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1k8u h LYS 35 Cb 0.14 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1k8u h LYS 35 CO -0.03 0.59 0.30 1.49 -2.27 0.00 0.00 179.45 179.52 1k8u h GLU 36 N 0.87 0.69 -0.19 1.90 4.81 -1.06 -1.66 114.58 119.94 1k8u h GLU 36 Ca 0.23 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1k8u h GLU 36 Cb -0.07 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1k8u h GLU 36 CO -0.05 0.51 -0.04 1.25 -0.73 0.00 0.00 179.01 179.95 1k8u h LEU 37 N 0.68 -0.17 -0.55 1.64 6.46 -0.47 -0.23 115.31 122.66 1k8u h LEU 37 Ca 0.18 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1k8u h LEU 37 Cb -0.00 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1k8u h LEU 37 CO -0.03 -0.06 0.32 0.40 -0.62 0.00 0.00 178.44 178.45 1k8u h ILE 38 N 0.00 1.17 0.00 4.05 1.08 -0.92 0.13 117.51 123.02 1k8u h ILE 38 Ca 0.09 -0.42 -0.10 0.00 -0.39 0.00 0.00 64.86 64.04 1k8u h ILE 38 Cb 0.14 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1k8u h ILE 38 CO -0.20 0.18 -0.49 1.56 -0.69 0.00 0.00 178.15 178.52 1k8u h GLN 39 N 0.74 0.00 0.00 2.37 4.20 -0.98 -2.77 115.11 118.67 1k8u h GLN 39 Ca 0.20 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.65 1k8u h GLN 39 Cb 0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1k8u h GLN 39 CO -0.03 0.49 -1.63 1.63 -0.67 0.00 0.00 178.83 178.62 1k8u n LYS 40 N -3.93 0.63 -0.00 1.46 5.02 -0.13 -4.47 118.16 116.74 1k8u n LYS 40 Ca -0.01 0.27 0.10 0.00 -2.02 0.00 0.00 58.31 56.65 1k8u n LYS 40 Cb 0.51 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1k8u n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1k8u n GLU 41 N -2.99 0.19 -4.37 1.97 -0.58 0.42 -4.91 120.64 110.38 1k8u n GLU 41 Ca -0.15 -0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.28 1k8u n GLU 41 Cb 0.99 -1.48 -0.12 0.00 -0.57 0.00 0.00 31.44 30.25 1k8u n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1k8u s LEU 42 N -3.16 2.45 -1.31 -4.62 1.43 -1.05 -5.04 118.68 107.38 1k8u s LEU 42 Ca 0.06 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1k8u s LEU 42 Cb 0.15 -1.32 0.11 0.00 0.03 0.00 0.00 46.19 45.17 1k8u s LEU 42 CO 0.86 0.18 1.83 0.41 0.23 0.00 0.00 176.35 179.85 1k8u n THR 43 N 0.83 4.00 0.51 5.49 -1.04 -1.26 -4.54 114.28 118.26 1k8u n THR 43 Ca -0.17 -4.06 0.06 0.00 -2.04 0.00 0.00 64.05 57.84 1k8u n THR 43 Cb 0.53 -2.44 0.05 0.00 -1.82 0.00 0.00 70.33 66.64 1k8u n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k8u n ILE 44 N 4.85 0.00 0.19 12.58 3.06 -1.26 -4.68 119.36 134.10 1k8u n ILE 44 Ca 0.44 -0.49 0.10 0.00 -2.50 0.00 0.00 62.75 60.30 1k8u n ILE 44 Cb 0.41 1.25 0.64 0.00 0.54 0.00 0.00 39.64 42.48 1k8u n ILE 44 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1k8u h GLY 45 N 2.38 0.03 2.00 4.50 0.00 -1.90 0.29 103.07 110.38 1k8u h GLY 45 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1k8u h GLY 45 CO 0.00 0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1k8u n SER 46 N -4.50 0.00 -0.16 0.19 3.41 -1.26 -3.81 113.62 107.49 1k8u n SER 46 Ca -0.00 0.50 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1k8u n SER 46 Cb 0.20 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1k8u n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k8u n LYS 47 N -1.50 -0.03 0.30 4.33 5.02 0.06 -4.71 118.16 121.63 1k8u n LYS 47 Ca 0.07 -0.71 0.20 0.00 -2.02 0.00 0.00 58.31 55.85 1k8u n LYS 47 Cb 0.32 -1.06 0.97 0.00 -0.02 0.00 0.00 35.03 35.25 1k8u n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1k8u h LEU 48 N 0.78 0.00 -2.06 -0.35 3.38 -1.58 -1.53 115.31 113.94 1k8u h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k8u h LEU 48 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1k8u h LEU 48 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1k8u n GLN 49 N -3.01 2.36 -1.76 1.13 1.13 -1.26 -3.64 117.38 112.32 1k8u n GLN 49 Ca -0.01 -2.04 -0.40 0.00 -1.94 0.00 0.00 57.00 52.61 1k8u n GLN 49 Cb 0.16 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.03 1k8u n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1k8u n ASP 50 N 1.27 3.37 -0.14 1.08 2.03 -0.58 -4.80 116.55 118.78 1k8u n ASP 50 Ca 0.18 1.14 -0.04 0.00 0.52 0.00 0.00 54.79 56.59 1k8u n ASP 50 Cb 0.56 -1.60 0.05 0.00 -0.72 0.00 0.00 41.12 39.41 1k8u n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k8u h ALA 51 N 2.39 0.53 -0.01 -1.67 0.00 -1.92 -0.40 119.26 118.18 1k8u h ALA 51 Ca -0.51 0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1k8u h ALA 51 Cb 1.27 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.16 1k8u h ALA 51 CO 0.61 -0.27 -1.03 0.93 0.00 0.00 0.00 179.25 179.49 1k8u h GLU 52 N 0.28 0.70 -0.59 0.00 5.08 -1.96 -3.10 114.58 114.99 1k8u h GLU 52 Ca 0.22 -0.74 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 1k8u h GLU 52 Cb 0.25 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1k8u h GLU 52 CO -0.26 1.32 0.06 0.82 -1.00 0.00 0.00 179.01 179.95 1k8u h ILE 53 N 0.40 1.25 -0.32 3.13 2.04 -1.79 -2.54 117.51 119.68 1k8u h ILE 53 Ca -0.12 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 1k8u h ILE 53 Cb 1.68 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1k8u h ILE 53 CO 0.20 0.37 0.03 0.00 0.00 0.00 0.00 178.15 178.76 1k8u h ALA 54 N 1.16 1.47 -0.18 1.87 0.00 -1.11 -1.73 119.26 120.73 1k8u h ALA 54 Ca 0.18 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1k8u h ALA 54 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1k8u h ALA 54 CO 0.02 0.39 -0.52 0.00 0.00 0.00 0.00 179.25 179.13 1k8u h ARG 55 N 0.46 0.52 -1.39 0.00 -0.00 -1.39 -0.52 114.38 112.07 1k8u h ARG 55 Ca 0.10 -0.31 0.00 0.00 -0.50 0.00 0.00 59.98 59.27 1k8u h ARG 55 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1k8u h ARG 55 CO 0.00 0.91 0.00 1.28 0.00 0.00 0.00 179.97 182.17 1k8u n LEU 56 N -3.97 0.69 0.00 3.04 4.77 -0.65 -1.22 117.00 119.66 1k8u n LEU 56 Ca -0.03 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1k8u n LEU 56 Cb 0.58 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1k8u n LEU 56 CO 0.46 0.12 0.00 -0.62 -1.33 0.00 0.00 177.39 176.02 1k8u n GLU 58 N 0.75 0.00 -0.11 3.23 1.02 -0.20 -2.00 120.64 123.32 1k8u n GLU 58 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1k8u n GLU 58 Cb 0.12 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 31.73 1k8u n GLU 58 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1k8u h ASP 59 N 0.00 0.73 -0.23 1.62 3.58 -1.42 0.68 116.42 121.38 1k8u h ASP 59 Ca 0.00 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 1k8u h ASP 59 Cb 0.00 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1k8u h ASP 59 CO 0.00 0.76 0.12 -0.07 -2.88 0.00 0.00 179.24 177.16 1k8u h LEU 60 N 0.75 0.29 -0.93 2.28 3.38 -1.67 -1.79 115.31 117.62 1k8u h LEU 60 Ca 0.16 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1k8u h LEU 60 Cb 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1k8u h LEU 60 CO 0.01 0.31 -0.06 0.44 0.09 0.00 0.00 178.44 179.23 1k8u h ASP 61 N 0.25 0.70 0.55 -0.43 3.32 -1.76 -0.95 116.42 118.08 1k8u h ASP 61 Ca 0.08 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1k8u h ASP 61 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1k8u h ASP 61 CO -0.01 0.80 -0.18 0.03 -1.72 0.00 0.00 179.24 178.16 1k8u h ARG 62 N 0.66 0.00 -0.37 3.56 3.08 -0.61 -2.74 114.38 117.97 1k8u h ARG 62 Ca 0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.91 1k8u h ARG 62 Cb 0.50 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.36 1k8u h ARG 62 CO 0.03 0.18 -0.51 0.09 -1.07 0.00 0.00 179.97 178.68 1k8u n ASN 63 N -3.59 3.25 0.14 7.04 3.02 -0.69 -4.89 115.26 119.53 1k8u n ASN 63 Ca -0.01 -3.83 0.14 0.00 -0.03 0.00 0.00 54.58 50.85 1k8u n ASN 63 Cb 0.32 -0.49 0.68 0.00 -0.61 0.00 0.00 39.78 39.68 1k8u n ASN 63 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1k8u h LYS 64 N 1.48 0.00 -0.01 3.52 2.10 -0.86 -1.28 116.57 121.52 1k8u h LYS 64 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1k8u h LYS 64 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1k8u h LYS 64 CO 0.40 0.00 -0.30 -0.25 -2.00 0.00 0.00 179.45 177.30 1k8u n ASP 65 N -4.40 1.28 -4.77 7.07 8.00 -1.26 -1.37 116.55 121.10 1k8u n ASP 65 Ca 0.03 -1.05 -0.39 0.00 0.71 0.00 0.00 54.79 54.09 1k8u n ASP 65 Cb 0.34 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1k8u n ASP 65 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1k8u s GLN 66 N -2.48 4.31 0.43 -1.24 -0.21 -0.48 -4.84 119.66 115.14 1k8u s GLN 66 Ca 0.23 1.76 -0.08 0.00 0.02 0.00 0.00 55.36 57.29 1k8u s GLN 66 Cb 0.19 -2.84 -0.05 0.00 1.00 0.00 0.00 33.01 31.31 1k8u s GLN 66 CO 0.53 -0.08 0.76 -1.21 -2.12 0.00 0.00 175.29 173.17 1k8u s GLU 67 N -2.02 3.66 -0.05 2.91 0.41 -1.26 -0.76 118.70 121.58 1k8u s GLU 67 Ca 0.52 0.30 0.01 0.00 -0.41 0.00 0.00 54.97 55.40 1k8u s GLU 67 Cb -0.29 -2.41 0.02 0.00 -1.78 0.00 0.00 34.13 29.67 1k8u s GLU 67 CO 0.37 -0.09 -0.07 0.08 -0.49 0.00 0.00 175.26 175.07 1k8u s VAL 68 N -2.51 0.71 0.75 2.63 1.01 0.51 -4.87 120.40 118.64 1k8u s VAL 68 Ca 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1k8u s VAL 68 Cb -0.10 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.71 1k8u s VAL 68 CO 0.37 0.27 1.03 0.54 0.00 0.00 0.00 175.10 177.31 1k8u s ASN 69 N 0.90 4.20 0.16 3.32 2.20 -1.26 -1.51 114.94 122.96 1k8u s ASN 69 Ca -0.11 -0.35 -0.15 0.00 -0.94 0.00 0.00 52.86 51.31 1k8u s ASN 69 Cb -0.15 0.02 0.04 0.00 -2.00 0.00 0.00 41.25 39.17 1k8u s ASN 69 CO 0.01 -1.97 1.81 0.15 -2.94 0.00 0.00 177.10 174.16 1k8u h PHE 70 N -0.64 0.62 -0.56 1.54 3.57 -1.97 -0.89 116.94 118.61 1k8u h PHE 70 Ca -0.36 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.17 1k8u h PHE 70 Cb 1.26 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1k8u h PHE 70 CO -0.30 0.41 0.33 0.37 -2.23 0.00 0.00 178.31 176.89 1k8u h GLN 71 N 0.64 0.62 -0.22 1.11 5.75 -1.95 -0.61 115.11 120.46 1k8u h GLN 71 Ca 0.17 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.50 1k8u h GLN 71 Cb -0.04 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 1k8u h GLN 71 CO -0.03 0.41 -0.42 0.93 -2.65 0.00 0.00 178.83 177.07 1k8u h GLU 72 N 0.64 0.52 -0.14 1.69 5.08 -1.86 -0.82 114.58 119.68 1k8u h GLU 72 Ca 0.23 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1k8u h GLU 72 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1k8u h GLU 72 CO -0.12 0.85 0.06 -0.92 -1.00 0.00 0.00 179.01 177.88 1k8u h TYR 73 N 0.43 0.11 -0.31 4.33 3.20 -0.65 -0.40 116.97 123.67 1k8u h TYR 73 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1k8u h TYR 73 Cb 0.91 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1k8u h TYR 73 CO 0.03 0.06 0.14 0.28 -1.64 0.00 0.00 178.16 177.03 1k8u h VAL 74 N 0.13 1.16 -0.56 1.81 2.07 -0.91 -0.92 116.25 119.04 1k8u h VAL 74 Ca 0.06 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1k8u h VAL 74 Cb 0.02 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1k8u h VAL 74 CO -0.05 0.17 0.20 0.74 0.02 0.00 0.00 177.57 178.65 1k8u h THR 75 N 0.36 0.79 -0.72 2.57 2.02 -1.00 -1.63 112.91 115.30 1k8u h THR 75 Ca 0.10 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1k8u h THR 75 Cb 0.14 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1k8u h THR 75 CO -0.01 0.07 0.48 0.15 0.37 0.00 0.00 175.52 176.58 1k8u h PHE 76 N 0.38 0.90 -0.56 3.16 3.57 -0.75 -1.68 116.94 121.96 1k8u h PHE 76 Ca 0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1k8u h PHE 76 Cb 0.32 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1k8u h PHE 76 CO -0.17 0.57 0.33 -0.07 -2.23 0.00 0.00 178.31 176.74 1k8u h LEU 77 N 0.97 0.67 -0.57 0.59 3.38 -0.52 0.12 115.31 119.95 1k8u h LEU 77 Ca 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1k8u h LEU 77 Cb -0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1k8u h LEU 77 CO -0.06 0.53 0.22 1.23 0.09 0.00 0.00 178.44 180.44 1k8u h GLY 78 N 0.82 0.93 0.98 0.83 0.00 -0.69 0.44 103.07 106.38 1k8u h GLY 78 Ca 0.20 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1k8u h GLY 78 CO -0.04 0.49 0.25 0.00 0.00 0.00 0.00 176.54 177.24 1k8u h ALA 79 N 1.07 0.55 -0.33 3.60 0.00 -0.49 -2.43 119.26 121.24 1k8u h ALA 79 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1k8u h ALA 79 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1k8u h ALA 79 CO -0.01 0.06 -0.06 1.25 0.00 0.00 0.00 179.25 180.49 1k8u h LEU 80 N 0.57 0.62 -1.04 0.00 5.85 -0.87 -3.03 115.31 117.41 1k8u h LEU 80 Ca 0.15 -0.35 0.15 0.00 0.84 0.00 0.00 57.88 58.67 1k8u h LEU 80 Cb 0.02 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.79 1k8u h LEU 80 CO -0.03 0.83 0.62 0.00 -0.34 0.00 0.00 178.44 179.52 1k8u h ALA 81 N 0.82 1.61 -0.28 1.25 0.00 -0.65 -0.82 119.26 121.19 1k8u h ALA 81 Ca 0.09 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1k8u h ALA 81 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1k8u h ALA 81 CO 0.03 0.09 0.20 -0.07 0.00 0.00 0.00 179.25 179.50 1k8u h LEU 82 N 0.88 0.05 -1.65 0.00 3.38 -1.31 -0.05 115.31 116.61 1k8u h LEU 82 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1k8u h LEU 82 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1k8u h LEU 82 CO -0.30 0.03 0.00 2.30 0.09 0.00 0.00 178.44 180.56 1k8u n ILE 83 N -4.47 0.06 0.00 1.22 -5.35 -0.46 -4.69 119.36 105.67 1k8u n ILE 83 Ca 0.03 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1k8u n ILE 83 Cb 0.32 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1k8u n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1k8u n TYR 84 N 0.84 0.00 -2.64 4.28 9.36 -0.44 -4.84 117.16 123.71 1k8u n TYR 84 Ca 0.09 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.89 1k8u n TYR 84 Cb 0.38 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.06 1k8u n TYR 84 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1k8u s ASN 85 N -4.11 7.31 0.34 2.98 3.84 -0.07 -4.96 114.94 120.28 1k8u s ASN 85 Ca 0.00 1.76 0.02 0.00 0.21 0.00 0.00 52.86 54.85 1k8u s ASN 85 Cb 0.00 -2.57 0.60 0.00 -0.55 0.00 0.00 41.25 38.73 1k8u s ASN 85 CO 0.00 -0.29 2.00 -0.33 -2.79 0.00 0.00 177.10 175.69 1k8u h GLU 86 N 6.65 0.88 0.00 0.43 4.39 -1.96 -2.49 114.58 122.48 1k8u h GLU 86 Ca -0.41 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1k8u h GLU 86 Cb 1.22 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1k8u h GLU 86 CO 0.76 0.58 0.00 0.00 -1.16 0.00 0.00 179.01 179.19 1k8u h ALA 87 N 1.58 1.00 -0.16 3.43 0.00 -1.95 -1.88 119.26 121.28 1k8u h ALA 87 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k8u h ALA 87 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1k8u h ALA 87 CO -0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1k8u n LEU 88 N -2.86 1.81 -4.77 0.00 4.77 -0.94 -4.90 117.00 110.12 1k8u n LEU 88 Ca -0.00 -0.74 -0.38 0.00 -0.03 0.00 0.00 56.01 54.86 1k8u n LEU 88 Cb 0.21 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1k8u n LEU 88 CO 0.23 0.37 0.78 -0.54 -1.33 0.00 0.00 177.39 176.90 1k8u s LYS 89 N -1.80 4.19 0.00 3.23 -0.14 -0.71 -4.99 119.74 119.52 1k8u s LYS 89 Ca 0.33 1.68 0.00 0.00 -1.36 0.00 0.00 55.97 56.62 1k8u s LYS 89 Cb 0.18 -2.69 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 1k8u s LYS 89 CO 0.28 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.12