#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc8 h ALA 2 N 0.00 0.26 -2.62 3.04 0.00 -1.74 -3.47 119.26 114.73 2kc8 h ALA 2 Ca 0.00 -1.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.15 2kc8 h ALA 2 Cb 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2kc8 h ALA 2 CO 0.00 0.73 -0.20 0.71 0.00 0.00 0.00 179.25 180.49 2kc8 s TYR 3 N -2.38 3.49 0.60 0.00 1.51 -0.25 -5.02 117.35 115.30 2kc8 s TYR 3 Ca -0.27 0.78 -0.05 0.00 -1.01 0.00 0.00 57.07 56.51 2kc8 s TYR 3 Cb 0.05 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2kc8 s TYR 3 CO 0.62 0.39 0.90 -0.06 -1.11 0.00 0.00 175.55 176.29 2kc8 s PHE 4 N -1.64 3.19 0.00 2.71 0.08 -0.37 -4.88 117.98 117.07 2kc8 s PHE 4 Ca 0.41 0.57 0.05 0.00 0.12 0.00 0.00 56.93 58.09 2kc8 s PHE 4 Cb -0.12 -2.79 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 2kc8 s PHE 4 CO 0.21 -0.89 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.12 2kc8 s LEU 5 N -5.00 2.74 0.07 -0.37 2.96 -1.26 -1.30 118.68 116.51 2kc8 s LEU 5 Ca 0.55 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2kc8 s LEU 5 Cb -0.11 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2kc8 s LEU 5 CO 0.45 0.29 -0.06 -0.62 -1.32 0.00 0.00 176.35 175.09 2kc8 s ASP 6 N -1.16 0.89 -0.07 3.68 -1.08 -0.38 -4.89 116.67 113.67 2kc8 s ASP 6 Ca 0.14 -0.82 -0.06 0.00 -0.52 0.00 0.00 52.55 51.30 2kc8 s ASP 6 Cb -0.11 0.09 0.02 0.00 -1.46 0.00 0.00 42.92 41.46 2kc8 s ASP 6 CO 0.04 -0.38 0.18 -0.36 0.52 0.00 0.00 175.17 175.16 2kc8 s PHE 7 N -2.75 -0.20 0.32 -5.34 0.40 -1.26 -1.36 117.98 107.79 2kc8 s PHE 7 Ca 0.02 0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 56.54 2kc8 s PHE 7 Cb -0.01 0.05 -0.11 0.00 0.51 0.00 0.00 43.02 43.47 2kc8 s PHE 7 CO -0.03 -0.11 1.42 0.34 0.70 0.00 0.00 175.22 177.54 2kc8 s ASP 8 N 0.25 6.57 0.42 1.36 2.15 -0.44 -4.88 116.67 122.11 2kc8 s ASP 8 Ca -0.01 2.83 0.17 0.00 0.43 0.00 0.00 52.55 55.96 2kc8 s ASP 8 Cb -0.03 -2.65 1.06 0.00 -0.30 0.00 0.00 42.92 41.01 2kc8 s ASP 8 CO -0.01 -0.72 1.89 -0.08 -0.17 0.00 0.00 175.17 176.08 2kc8 h GLU 9 N 3.81 0.40 0.21 4.34 4.22 -1.93 -0.27 114.58 125.36 2kc8 h GLU 9 Ca -0.49 -0.02 -0.33 0.00 0.08 0.00 0.00 59.36 58.60 2kc8 h GLU 9 Cb 1.23 -0.09 0.04 0.00 0.50 0.00 0.00 28.75 30.42 2kc8 h GLU 9 CO 0.69 0.27 -1.41 0.00 -2.18 0.00 0.00 179.01 176.38 2kc8 h ARG 10 N 0.42 0.58 -0.10 1.92 2.47 -1.92 -3.26 114.38 114.49 2kc8 h ARG 10 Ca 0.42 -0.91 0.03 0.00 -1.26 0.00 0.00 59.98 58.26 2kc8 h ARG 10 Cb 1.01 0.33 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2kc8 h ARG 10 CO -0.15 1.43 0.08 0.00 0.56 0.00 0.00 179.97 181.89 2kc8 h ALA 11 N 0.19 1.94 -0.12 0.04 0.00 -1.35 -0.20 119.26 119.77 2kc8 h ALA 11 Ca -0.24 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2kc8 h ALA 11 Cb 2.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.86 2kc8 h ALA 11 CO 0.27 -0.13 -0.08 -0.07 0.00 0.00 0.00 179.25 179.23 2kc8 h LEU 12 N 0.00 -0.27 -1.06 0.00 3.38 -1.18 -2.35 115.31 113.84 2kc8 h LEU 12 Ca 0.05 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2kc8 h LEU 12 Cb 0.21 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kc8 h LEU 12 CO -0.00 -0.11 -0.46 0.11 0.09 0.00 0.00 178.44 178.06 2kc8 h LYS 13 N -0.09 0.00 -0.60 1.13 1.79 -1.18 -2.93 116.57 114.68 2kc8 h LYS 13 Ca 0.07 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 2kc8 h LYS 13 Cb 0.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2kc8 h LYS 13 CO -0.17 0.46 0.12 0.93 -1.08 0.00 0.00 179.45 179.71 2kc8 h GLU 14 N 0.00 0.98 0.00 3.15 4.39 -0.72 -0.96 114.58 121.42 2kc8 h GLU 14 Ca -0.00 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 2kc8 h GLU 14 Cb 0.84 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2kc8 h GLU 14 CO 0.06 0.91 -0.17 0.11 -1.16 0.00 0.00 179.01 178.76 2kc8 h TRP 15 N 0.89 0.00 0.00 4.33 0.09 -1.26 -2.92 115.95 117.07 2kc8 h TRP 15 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.17 2kc8 h TRP 15 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.63 2kc8 h TRP 15 CO 0.03 0.17 -0.38 0.54 0.09 0.00 0.00 178.44 178.89 2kc8 n ARG 16 N -3.25 0.21 -0.00 0.12 1.74 -0.86 -3.20 116.66 111.41 2kc8 n ARG 16 Ca 0.01 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 2kc8 n ARG 16 Cb 0.46 -1.67 0.29 0.00 -1.02 0.00 0.00 32.46 30.52 2kc8 n ARG 16 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2kc8 n LYS 17 N -1.99 2.04 -4.54 5.56 -0.00 -0.42 -4.91 118.16 113.90 2kc8 n LYS 17 Ca 0.05 -1.51 -0.26 0.00 -0.00 0.00 0.00 58.31 56.59 2kc8 n LYS 17 Cb 0.41 -1.47 -0.10 0.00 -0.00 0.00 0.00 35.03 33.87 2kc8 n LYS 17 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2kc8 s LEU 18 N -1.98 2.72 0.66 -5.58 0.05 -1.19 -5.08 118.68 108.26 2kc8 s LEU 18 Ca 0.33 -1.18 -0.18 0.00 0.05 0.00 0.00 54.13 53.15 2kc8 s LEU 18 Cb 0.20 -1.01 -0.01 0.00 -2.05 0.00 0.00 46.19 43.33 2kc8 s LEU 18 CO 0.31 -0.18 1.29 -0.83 -0.55 0.00 0.00 176.35 176.40 2kc8 s GLY 19 N -3.60 2.82 0.21 -3.48 0.00 -1.26 -4.87 107.32 97.15 2kc8 s GLY 19 Ca 0.32 1.19 -0.07 0.00 0.00 0.00 0.00 44.72 46.17 2kc8 s GLY 19 CO 0.16 1.62 1.72 0.23 0.00 0.00 0.00 173.10 176.83 2kc8 h SER 20 N 0.47 0.99 0.33 1.64 0.87 -1.98 -2.08 113.55 113.79 2kc8 h SER 20 Ca -0.51 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 59.76 2kc8 h SER 20 Cb 1.33 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2kc8 h SER 20 CO 0.53 0.99 -0.30 0.74 -0.53 0.00 0.00 176.83 178.26 2kc8 h THR 21 N 0.98 1.17 0.19 2.23 2.02 -1.99 -1.02 112.91 116.49 2kc8 h THR 21 Ca 0.19 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2kc8 h THR 21 Cb 0.43 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2kc8 h THR 21 CO 0.01 0.30 -0.09 0.58 0.37 0.00 0.00 175.52 176.69 2kc8 h VAL 22 N 0.00 0.90 0.00 3.16 2.07 -1.76 -2.56 116.25 118.06 2kc8 h VAL 22 Ca -0.00 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2kc8 h VAL 22 Cb 0.55 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2kc8 h VAL 22 CO 0.04 0.12 -0.18 0.08 0.02 0.00 0.00 177.57 177.65 2kc8 h ARG 23 N -0.52 0.00 -0.11 1.57 0.11 -0.98 -2.23 114.38 112.21 2kc8 h ARG 23 Ca -0.03 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.90 2kc8 h ARG 23 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 2kc8 h ARG 23 CO 0.04 0.18 -0.60 0.93 0.10 0.00 0.00 179.97 180.63 2kc8 h GLU 24 N 0.00 0.38 -0.66 0.08 5.08 -1.08 -0.83 114.58 117.54 2kc8 h GLU 24 Ca -0.00 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2kc8 h GLU 24 Cb 0.42 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2kc8 h GLU 24 CO 0.02 0.86 0.24 1.96 -1.00 0.00 0.00 179.01 181.10 2kc8 h GLN 25 N 0.28 1.01 -0.55 2.33 4.20 -0.99 -2.44 115.11 118.96 2kc8 h GLN 25 Ca -0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2kc8 h GLN 25 Cb 1.12 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 2kc8 h GLN 25 CO 0.10 0.86 0.35 -0.07 -0.67 0.00 0.00 178.83 179.40 2kc8 h LEU 26 N 0.95 0.64 -1.71 1.46 3.38 -1.25 -2.52 115.31 116.25 2kc8 h LEU 26 Ca 0.22 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2kc8 h LEU 26 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kc8 h LEU 26 CO -0.01 0.49 0.21 0.11 0.09 0.00 0.00 178.44 179.33 2kc8 h LYS 27 N 0.74 0.38 -0.47 1.13 1.57 -0.70 -0.00 116.57 119.22 2kc8 h LYS 27 Ca 0.20 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 2kc8 h LYS 27 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2kc8 h LYS 27 CO -0.04 0.25 -0.19 0.87 -0.57 0.00 0.00 179.45 179.76 2kc8 h LYS 28 N 0.39 0.94 0.00 3.15 6.56 -1.03 -0.68 116.57 125.90 2kc8 h LYS 28 Ca 0.12 -0.38 -0.09 0.00 -1.06 0.00 0.00 60.65 59.24 2kc8 h LYS 28 Cb 0.02 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 2kc8 h LYS 28 CO -0.03 1.05 -0.43 0.87 -2.06 0.00 0.00 179.45 178.85 2kc8 h LYS 29 N 0.82 0.00 0.05 3.15 1.79 -1.07 -2.98 116.57 118.34 2kc8 h LYS 29 Ca 0.11 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.35 2kc8 h LYS 29 Cb 0.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2kc8 h LYS 29 CO 0.06 0.43 -1.05 -0.07 -1.08 0.00 0.00 179.45 177.75 2kc8 h LEU 30 N 0.00 0.28 -1.06 2.94 3.38 -0.87 -1.71 115.31 118.28 2kc8 h LEU 30 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2kc8 h LEU 30 Cb 1.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2kc8 h LEU 30 CO 0.06 1.15 0.00 1.62 0.09 0.00 0.00 178.44 181.36 2kc8 h VAL 31 N 0.08 0.00 0.00 1.22 3.04 -0.98 -0.77 116.25 118.84 2kc8 h VAL 31 Ca -0.07 -0.64 -0.21 0.00 -1.01 0.00 0.00 66.70 64.76 2kc8 h VAL 31 Cb 1.74 1.64 -0.04 0.00 -2.01 0.00 0.00 31.29 32.63 2kc8 h VAL 31 CO 0.16 0.00 -1.67 -1.84 -1.01 0.00 0.00 177.57 173.21 2kc8 n GLU 32 N -3.09 0.64 0.11 4.17 0.28 -1.14 -4.14 120.64 117.47 2kc8 n GLU 32 Ca 0.02 0.16 -0.04 0.00 -0.16 0.00 0.00 57.16 57.14 2kc8 n GLU 32 Cb 0.37 -1.74 0.09 0.00 1.43 0.00 0.00 31.44 31.59 2kc8 n GLU 32 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 2kc8 h VAL 33 N 0.00 1.48 0.00 3.84 3.04 -0.74 -1.79 116.25 122.09 2kc8 h VAL 33 Ca -0.23 -2.36 0.00 0.00 -1.01 0.00 0.00 66.70 63.10 2kc8 h VAL 33 Cb 1.72 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 2kc8 h VAL 33 CO 0.04 0.68 0.00 0.18 -1.01 0.00 0.00 177.57 177.46 2kc8 n LEU 34 N -3.73 0.00 -0.11 3.16 4.77 -0.35 -1.70 117.00 119.05 2kc8 n LEU 34 Ca -0.02 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 2kc8 n LEU 34 Cb 0.69 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 2kc8 n LEU 34 CO 0.44 -0.12 -1.25 -0.62 -1.33 0.00 0.00 177.39 174.51 2kc8 n GLU 35 N -1.38 0.67 -3.19 3.23 -0.58 -0.89 -1.09 120.64 117.40 2kc8 n GLU 35 Ca 0.08 0.10 0.01 0.00 -0.42 0.00 0.00 57.16 56.93 2kc8 n GLU 35 Cb 0.20 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 2kc8 n GLU 35 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kc8 s SER 36 N -6.19 -1.14 0.00 1.62 0.15 -0.72 -4.93 113.70 102.49 2kc8 s SER 36 Ca -0.26 -0.00 0.20 0.00 0.70 0.00 0.00 55.95 56.59 2kc8 s SER 36 Cb 0.08 1.81 0.57 0.00 -1.71 0.00 0.00 66.02 66.76 2kc8 s SER 36 CO 0.69 -0.31 1.46 -0.81 1.20 0.00 0.00 173.24 175.47 2kc8 n PRO 37 N 5.35 2.08 -2.96 5.44 -0.04 -0.69 -4.32 135.00 139.87 2kc8 n PRO 37 Ca 0.04 -1.64 -0.44 0.00 -0.04 0.00 0.00 63.50 61.42 2kc8 n PRO 37 Cb 0.53 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2kc8 n PRO 37 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kc8 s ARG 38 N -1.60 3.83 -0.35 0.54 0.52 -1.26 -4.89 118.95 115.73 2kc8 s ARG 38 Ca 0.34 -2.18 0.02 0.00 -0.52 0.00 0.00 55.73 53.40 2kc8 s ARG 38 Cb 0.19 -4.95 0.11 0.00 0.52 0.00 0.00 34.95 30.81 2kc8 s ARG 38 CO 0.27 -1.74 0.11 0.42 0.02 0.00 0.00 175.30 174.38 2kc8 s ILE 39 N 2.02 1.65 0.31 1.52 1.01 -1.26 -5.02 121.20 121.43 2kc8 s ILE 39 Ca 0.36 -2.08 0.08 0.00 0.00 0.00 0.00 60.65 59.01 2kc8 s ILE 39 Cb -0.04 -2.22 0.31 0.00 0.01 0.00 0.00 42.46 40.52 2kc8 s ILE 39 CO -0.05 -0.68 1.70 1.05 0.00 0.00 0.00 174.94 176.96 2kc8 h GLU 40 N 7.60 0.45 0.00 2.79 9.09 -1.99 -0.08 114.58 132.43 2kc8 h GLU 40 Ca -0.08 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.28 2kc8 h GLU 40 Cb 1.00 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 27.99 2kc8 h GLU 40 CO 0.51 0.29 -0.12 0.00 0.05 0.00 0.00 179.01 179.75 2kc8 h ALA 41 N 1.75 1.31 -0.01 1.06 0.00 -2.00 -1.95 119.26 119.42 2kc8 h ALA 41 Ca 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2kc8 h ALA 41 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kc8 h ALA 41 CO -0.52 0.15 -0.27 0.09 0.00 0.00 0.00 179.25 178.70 2kc8 n ASN 42 N -3.67 0.94 -4.76 0.00 3.02 -0.05 -4.91 115.26 105.82 2kc8 n ASN 42 Ca -0.02 -0.81 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 2kc8 n ASN 42 Cb 0.23 0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.55 2kc8 n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2kc8 s LYS 43 N -2.54 3.63 1.03 3.52 1.02 -0.74 -1.10 119.74 124.56 2kc8 s LYS 43 Ca 0.23 2.43 -0.17 0.00 0.02 0.00 0.00 55.97 58.48 2kc8 s LYS 43 Cb 0.19 -2.63 0.23 0.00 -0.52 0.00 0.00 37.83 35.10 2kc8 s LYS 43 CO 0.53 -0.86 1.29 -0.51 -0.92 0.00 0.00 175.35 174.88 2kc8 s LEU 44 N -2.79 2.29 0.04 3.17 1.43 -0.48 -4.86 118.68 117.47 2kc8 s LEU 44 Ca 0.62 0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 53.71 2kc8 s LEU 44 Cb -0.44 -2.23 -0.18 0.00 0.03 0.00 0.00 46.19 43.37 2kc8 s LEU 44 CO 0.56 -3.11 1.36 -0.09 0.23 0.00 0.00 176.35 175.31 2kc8 h ARG 45 N -1.90 -0.95 -0.04 1.70 2.43 -1.95 -3.35 114.38 110.33 2kc8 h ARG 45 Ca -0.44 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.72 2kc8 h ARG 45 Cb 1.24 0.22 -0.12 0.00 -0.42 0.00 0.00 29.97 30.89 2kc8 h ARG 45 CO 0.35 -0.61 -0.65 0.41 -1.51 0.00 0.00 179.97 177.96 2kc8 n GLY 46 N -1.06 4.18 2.65 2.80 0.00 -1.26 -4.91 105.19 107.60 2kc8 n GLY 46 Ca -0.13 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 2kc8 n GLY 46 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kc8 s MET 47 N -2.51 0.76 0.50 1.61 -1.94 -1.26 -4.99 119.30 111.48 2kc8 s MET 47 Ca 0.38 -1.30 0.26 0.00 -1.71 0.00 0.00 55.69 53.32 2kc8 s MET 47 Cb 0.38 -1.83 1.30 0.00 2.01 0.00 0.00 34.83 36.68 2kc8 s MET 47 CO -0.09 -1.08 2.00 -1.00 -0.01 0.00 0.00 175.02 174.84 2kc8 h PRO 48 N 7.56 0.00 0.00 2.03 0.13 -1.91 -2.67 132.00 137.14 2kc8 h PRO 48 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2kc8 h PRO 48 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2kc8 h PRO 48 CO 0.43 0.16 -0.57 -0.44 -0.23 0.00 0.00 178.00 177.35 2kc8 h ASP 49 N 0.00 0.00 -3.36 1.44 5.19 -1.94 -3.46 116.42 114.29 2kc8 h ASP 49 Ca -0.00 -0.17 -0.66 0.00 -0.62 0.00 0.00 57.03 55.58 2kc8 h ASP 49 Cb 0.45 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.78 2kc8 h ASP 49 CO 0.02 0.09 -0.64 0.00 -3.12 0.00 0.00 179.24 175.59 2kc8 s TYR 51 N -0.35 1.61 0.13 0.00 1.51 -0.38 -1.38 117.35 118.50 2kc8 s TYR 51 Ca 0.06 -0.70 0.03 0.00 -1.01 0.00 0.00 57.07 55.46 2kc8 s TYR 51 Cb -0.12 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2kc8 s TYR 51 CO 0.02 0.21 -0.08 -1.59 -1.11 0.00 0.00 175.55 173.00 2kc8 s LYS 52 N -3.72 0.99 0.00 -0.62 -2.85 -0.26 -1.54 119.74 111.75 2kc8 s LYS 52 Ca 0.23 -1.42 -0.03 0.00 -1.00 0.00 0.00 55.97 53.76 2kc8 s LYS 52 Cb 0.02 -0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 35.32 2kc8 s LYS 52 CO 0.06 0.03 0.04 0.42 0.10 0.00 0.00 175.35 176.00 2kc8 s ILE 53 N -3.45 0.08 -0.04 3.79 1.01 -0.33 -4.72 121.20 117.53 2kc8 s ILE 53 Ca 0.15 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2kc8 s ILE 53 Cb 0.04 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.25 2kc8 s ILE 53 CO -0.01 -0.34 -0.10 -0.54 0.00 0.00 0.00 174.94 173.95 2kc8 s LYS 54 N -1.08 1.26 -0.16 2.79 1.02 -1.26 -1.29 119.74 121.02 2kc8 s LYS 54 Ca -0.12 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 2kc8 s LYS 54 Cb -0.07 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.12 2kc8 s LYS 54 CO -0.00 0.05 1.11 -0.51 -0.92 0.00 0.00 175.35 175.08 2kc8 s LEU 55 N 0.50 4.18 0.51 3.17 1.43 -0.36 -4.90 118.68 123.22 2kc8 s LEU 55 Ca -0.09 1.56 0.30 0.00 -1.03 0.00 0.00 54.13 54.86 2kc8 s LEU 55 Cb -0.13 -3.55 1.28 0.00 0.03 0.00 0.00 46.19 43.83 2kc8 s LEU 55 CO 0.02 -0.63 1.97 0.08 0.23 0.00 0.00 176.35 178.02 2kc8 h ARG 56 N 7.55 0.00 0.00 1.70 0.11 -1.98 -0.32 114.38 121.44 2kc8 h ARG 56 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2kc8 h ARG 56 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2kc8 h ARG 56 CO 0.93 0.11 -0.28 1.03 0.10 0.00 0.00 179.97 181.86 2kc8 h SER 57 N 0.00 0.00 0.16 0.08 0.87 -1.98 -3.42 113.55 109.27 2kc8 h SER 57 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kc8 h SER 57 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kc8 h SER 57 CO 0.01 0.46 -0.32 -1.20 -0.53 0.00 0.00 176.83 175.25 2kc8 n SER 58 N -3.76 1.32 -1.27 6.23 7.64 -1.25 -4.95 113.62 117.58 2kc8 n SER 58 Ca -0.04 -1.07 -0.12 0.00 1.01 0.00 0.00 58.87 58.65 2kc8 n SER 58 Cb 0.15 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 2kc8 n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kc8 n GLY 59 N 1.36 0.19 3.74 0.23 0.00 -0.13 -5.02 105.19 105.56 2kc8 n GLY 59 Ca 0.11 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 2kc8 n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kc8 n TYR 60 N -3.71 -2.77 -4.18 1.61 4.02 -1.26 -4.85 117.16 106.02 2kc8 n TYR 60 Ca -0.14 -1.79 -0.11 0.00 -0.01 0.00 0.00 57.90 55.85 2kc8 n TYR 60 Cb 0.56 -0.65 -0.10 0.00 -0.02 0.00 0.00 39.34 39.13 2kc8 n TYR 60 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2kc8 s ARG 61 N -4.86 1.06 -0.14 -0.72 0.52 -0.41 -1.22 118.95 113.19 2kc8 s ARG 61 Ca 0.62 -1.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 2kc8 s ARG 61 Cb -0.04 0.20 0.04 0.00 0.52 0.00 0.00 34.95 35.67 2kc8 s ARG 61 CO 0.41 -0.30 0.35 -1.17 0.02 0.00 0.00 175.30 174.60 2kc8 s LEU 62 N -3.11 0.49 -0.04 2.53 0.20 -0.41 -1.40 118.68 116.93 2kc8 s LEU 62 Ca 0.30 0.72 0.05 0.00 0.69 0.00 0.00 54.13 55.89 2kc8 s LEU 62 Cb 0.07 1.18 -0.01 0.00 -0.43 0.00 0.00 46.19 47.01 2kc8 s LEU 62 CO 0.06 -0.14 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.11 2kc8 s VAL 63 N 0.54 1.54 0.25 1.68 1.01 -0.48 -1.19 120.40 123.75 2kc8 s VAL 63 Ca -0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2kc8 s VAL 63 Cb -0.04 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2kc8 s VAL 63 CO -0.03 0.44 0.43 -0.72 0.00 0.00 0.00 175.10 175.22 2kc8 s TYR 64 N -0.03 0.51 -0.03 5.22 1.13 -0.59 -0.96 117.35 122.60 2kc8 s TYR 64 Ca -0.03 -0.85 0.05 0.00 -1.41 0.00 0.00 57.07 54.84 2kc8 s TYR 64 Cb -0.12 0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.81 2kc8 s TYR 64 CO 0.02 -0.95 -0.19 -1.14 -2.51 0.00 0.00 175.55 170.78 2kc8 s GLN 65 N -3.98 1.75 -0.56 -3.49 0.74 -0.17 -1.25 119.66 112.69 2kc8 s GLN 65 Ca 0.25 -0.67 -0.20 0.00 0.05 0.00 0.00 55.36 54.79 2kc8 s GLN 65 Cb 0.00 -1.58 0.07 0.00 1.10 0.00 0.00 33.01 32.61 2kc8 s GLN 65 CO 0.10 0.33 0.75 0.08 -0.55 0.00 0.00 175.29 176.00 2kc8 s VAL 66 N -0.19 4.70 -0.52 1.34 1.01 0.62 -1.45 120.40 125.91 2kc8 s VAL 66 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2kc8 s VAL 66 Cb -0.10 -4.45 0.06 0.00 0.00 0.00 0.00 36.38 31.89 2kc8 s VAL 66 CO 0.01 -1.05 0.65 -0.63 0.00 0.00 0.00 175.10 174.08 2kc8 s ILE 67 N 3.06 4.84 0.16 2.22 1.01 -0.41 -4.87 121.20 127.20 2kc8 s ILE 67 Ca 0.17 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2kc8 s ILE 67 Cb -0.19 -4.34 -0.16 0.00 0.01 0.00 0.00 42.46 37.78 2kc8 s ILE 67 CO 0.11 -0.87 1.37 -0.78 0.00 0.00 0.00 174.94 174.77 2kc8 h ASP 68 N 9.04 0.16 0.93 3.58 3.58 -1.94 -0.40 116.42 131.36 2kc8 h ASP 68 Ca -0.28 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 56.97 2kc8 h ASP 68 Cb 1.09 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2kc8 h ASP 68 CO 0.99 0.98 -0.32 1.05 -2.88 0.00 0.00 179.24 179.06 2kc8 h GLU 69 N 0.06 0.00 0.00 0.28 4.11 -1.96 -3.06 114.58 114.01 2kc8 h GLU 69 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2kc8 h GLU 69 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2kc8 h GLU 69 CO 0.13 0.32 -1.54 1.63 0.07 0.00 0.00 179.01 179.62 2kc8 n LYS 70 N -3.46 0.76 -3.19 1.06 5.02 -1.21 -5.00 118.16 112.15 2kc8 n LYS 70 Ca 0.00 -0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.02 2kc8 n LYS 70 Cb 0.49 -1.37 0.07 0.00 -0.02 0.00 0.00 35.03 34.20 2kc8 n LYS 70 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2kc8 n VAL 71 N -1.93 -4.21 -4.18 -0.18 0.31 -0.27 -4.91 118.33 102.97 2kc8 n VAL 71 Ca -0.02 -0.31 -0.17 0.00 -0.01 0.00 0.00 64.34 63.83 2kc8 n VAL 71 Cb 0.40 -4.25 -0.15 0.00 -0.91 0.00 0.00 33.84 28.93 2kc8 n VAL 71 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2kc8 s VAL 72 N -3.28 0.48 -0.57 2.52 1.01 -0.57 -1.23 120.40 118.76 2kc8 s VAL 72 Ca 0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 2kc8 s VAL 72 Cb -0.05 -0.44 0.11 0.00 0.00 0.00 0.00 36.38 36.00 2kc8 s VAL 72 CO 0.58 0.16 0.63 -0.69 0.00 0.00 0.00 175.10 175.78 2kc8 s VAL 73 N 0.22 4.95 -0.50 2.92 1.01 -0.42 -1.29 120.40 127.29 2kc8 s VAL 73 Ca -0.02 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 2kc8 s VAL 73 Cb -0.07 -4.42 0.06 0.00 0.00 0.00 0.00 36.38 31.96 2kc8 s VAL 73 CO -0.00 -1.01 0.60 0.12 0.00 0.00 0.00 175.10 174.81 2kc8 s PHE 74 N 2.34 3.07 -0.16 5.22 5.36 -0.53 -1.25 117.98 132.03 2kc8 s PHE 74 Ca 0.09 -0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 55.19 2kc8 s PHE 74 Cb -0.25 -3.49 -0.01 0.00 -0.34 0.00 0.00 43.02 38.92 2kc8 s PHE 74 CO 0.06 -1.00 1.17 0.08 -1.46 0.00 0.00 175.22 174.06 2kc8 s VAL 75 N 2.52 4.44 -0.12 3.12 1.01 -0.46 -1.00 120.40 129.91 2kc8 s VAL 75 Ca 0.14 1.74 -0.21 0.00 0.00 0.00 0.00 61.98 63.65 2kc8 s VAL 75 Cb -0.20 -4.12 -0.27 0.00 0.00 0.00 0.00 36.38 31.80 2kc8 s VAL 75 CO 0.11 -0.11 0.63 0.40 0.00 0.00 0.00 175.10 176.13 2kc8 h ILE 76 N 5.37 1.29 -3.28 2.22 1.08 -1.38 -1.15 117.51 121.66 2kc8 h ILE 76 Ca -0.26 -2.39 -0.10 0.00 -0.39 0.00 0.00 64.86 61.73 2kc8 h ILE 76 Cb 1.10 2.90 -0.17 0.00 -3.07 0.00 0.00 36.82 37.58 2kc8 h ILE 76 CO 0.95 0.62 -0.27 -0.44 -0.69 0.00 0.00 178.15 178.32 2kc8 s SER 77 N -6.81 -0.12 -0.09 1.72 0.01 -1.14 -4.51 113.70 102.76 2kc8 s SER 77 Ca -0.20 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 2kc8 s SER 77 Cb 0.02 0.34 0.05 0.00 0.21 0.00 0.00 66.02 66.64 2kc8 s SER 77 CO 0.74 -0.58 0.18 -0.69 0.41 0.00 0.00 173.24 173.30 2kc8 s VAL 78 N -2.33 -0.17 -4.77 3.43 1.01 -1.26 -1.38 120.40 114.93 2kc8 s VAL 78 Ca -0.07 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2kc8 s VAL 78 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2kc8 s VAL 78 CO -0.02 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2kc8 n GLY 79 N 4.75 0.96 3.49 4.51 0.00 -0.49 -4.64 105.19 113.76 2kc8 n GLY 79 Ca -0.16 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2kc8 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc8 s LYS 80 N -1.91 3.27 -0.77 1.61 1.02 -1.26 -1.28 119.74 120.41 2kc8 s LYS 80 Ca 0.00 -0.88 -0.25 0.00 0.02 0.00 0.00 55.97 54.86 2kc8 s LYS 80 Cb 0.00 -4.47 0.04 0.00 -0.52 0.00 0.00 37.83 32.88 2kc8 s LYS 80 CO 0.00 -1.94 1.24 0.00 -0.92 0.00 0.00 175.35 173.73 2kc8 s ALA 81 N 4.35 2.83 -0.54 5.17 0.00 -1.26 -4.93 121.76 127.39 2kc8 s ALA 81 Ca 0.30 -1.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.36 2kc8 s ALA 81 Cb -0.11 -4.22 -0.06 0.00 0.00 0.00 0.00 23.12 18.74 2kc8 s ALA 81 CO 0.06 -3.23 2.24 -1.83 0.00 0.00 0.00 175.76 172.99 2kc8 s GLU 82 N 5.22 2.25 0.00 0.00 -1.05 -1.26 -4.73 118.70 119.13 2kc8 s GLU 82 Ca 0.34 1.12 0.07 0.00 -0.15 0.00 0.00 54.97 56.35 2kc8 s GLU 82 Cb -0.08 -4.54 0.03 0.00 -0.44 0.00 0.00 34.13 29.10 2kc8 s GLU 82 CO 0.10 -3.15 0.63 0.00 0.95 0.00 0.00 175.26 173.79 2kc8 n ALA 83 N 15.01 2.58 -0.03 -0.84 0.00 -1.26 -3.65 120.51 132.33 2kc8 n ALA 83 Ca 0.32 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 2kc8 n ALA 83 Cb 0.54 -0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 2kc8 n ALA 83 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2kc8 n SER 84 N 0.05 1.33 -0.65 0.00 3.41 -1.26 -4.17 113.62 112.33 2kc8 n SER 84 Ca 0.04 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 2kc8 n SER 84 Cb 0.17 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2kc8 n SER 84 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2kc8 n GLU 85 N -3.19 1.67 -0.24 4.33 0.00 -1.26 -4.40 120.64 117.54 2kc8 n GLU 85 Ca -0.27 -1.33 -0.07 0.00 0.00 0.00 0.00 57.16 55.49 2kc8 n GLU 85 Cb 1.06 -1.42 0.06 0.00 0.00 0.00 0.00 31.44 31.14 2kc8 n GLU 85 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2kc8 h VAL 86 N 3.18 1.26 0.00 3.84 3.04 -1.72 -1.97 116.25 123.87 2kc8 h VAL 86 Ca 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 2kc8 h VAL 86 Cb 0.79 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2kc8 h VAL 86 CO 0.00 0.37 0.00 0.00 -1.01 0.00 0.00 177.57 176.93 2kc8 n TYR 87 N -4.23 0.00 0.09 3.17 0.18 -1.26 0.20 117.16 115.30 2kc8 n TYR 87 Ca 0.05 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.65 2kc8 n TYR 87 Cb 0.26 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.08 2kc8 n TYR 87 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2kc8 h SER 88 N 0.00 0.49 0.00 9.48 0.87 -1.62 -3.39 113.55 119.38 2kc8 h SER 88 Ca 0.00 -0.61 -0.23 0.00 -1.23 0.00 0.00 61.79 59.72 2kc8 h SER 88 Cb 0.00 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2kc8 h SER 88 CO 0.00 1.49 -1.33 -0.62 -0.53 0.00 0.00 176.83 175.84 2kc8 n GLU 89 N -3.53 0.55 -2.48 2.24 -0.58 -0.74 -4.80 120.64 111.30 2kc8 n GLU 89 Ca -0.15 0.53 -0.43 0.00 -0.42 0.00 0.00 57.16 56.69 2kc8 n GLU 89 Cb 1.05 -1.71 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 2kc8 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kc8 s ALA 90 N -2.43 3.63 0.91 0.62 0.00 0.13 -5.00 121.76 119.61 2kc8 s ALA 90 Ca -0.29 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 2kc8 s ALA 90 Cb 0.07 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.74 2kc8 s ALA 90 CO 0.54 -1.05 1.11 0.14 0.00 0.00 0.00 175.76 176.49 2kc8 s VAL 91 N 3.15 2.36 0.20 0.00 -7.23 -1.26 -4.32 120.40 113.29 2kc8 s VAL 91 Ca 0.53 0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.75 2kc8 s VAL 91 Cb -0.21 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 33.99 2kc8 s VAL 91 CO 0.15 -0.15 1.60 0.11 -0.31 0.00 0.00 175.10 176.50 2kc8 h LYS 92 N -1.51 0.84 -2.67 4.82 1.57 -1.94 -3.38 116.57 114.29 2kc8 h LYS 92 Ca -0.51 -0.35 -0.53 0.00 -1.87 0.00 0.00 60.65 57.39 2kc8 h LYS 92 Cb 1.31 -0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.20 2kc8 h LYS 92 CO 0.59 0.98 -0.79 1.03 -0.57 0.00 0.00 179.45 180.69 2kc8 s ARG 93 N -4.62 0.32 -1.03 3.15 0.52 -1.26 -5.05 118.95 110.98 2kc8 s ARG 93 Ca -0.10 -0.77 -0.20 0.00 -0.52 0.00 0.00 55.73 54.14 2kc8 s ARG 93 Cb 0.13 -1.16 0.10 0.00 0.52 0.00 0.00 34.95 34.53 2kc8 s ARG 93 CO 0.85 -1.09 1.35 -1.50 0.02 0.00 0.00 175.30 174.93 2kc8 s ILE 94 N 1.77 4.39 0.00 1.52 2.07 -1.26 -5.24 121.20 124.44 2kc8 s ILE 94 Ca 0.12 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 57.94 2kc8 s ILE 94 Cb -0.18 -4.95 0.00 0.00 0.13 0.00 0.00 42.46 37.46 2kc8 s ILE 94 CO -0.24 -1.74 0.06 -0.11 -1.91 0.00 0.00 174.94 171.00