#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k47 s ASP 2 N 0.00 4.50 0.18 6.43 1.01 -1.25 -3.55 116.67 123.99 2k47 s ASP 2 Ca 0.00 -2.22 -0.02 0.00 0.71 0.00 0.00 52.55 51.02 2k47 s ASP 2 Cb 0.00 -1.46 0.09 0.00 1.01 0.00 0.00 42.92 42.56 2k47 s ASP 2 CO 0.00 -0.36 1.46 1.62 0.21 0.00 0.00 175.17 178.11 2k47 h VAL 3 N 6.34 1.36 0.17 -1.27 3.04 -0.68 -2.18 116.25 123.03 2k47 h VAL 3 Ca -0.06 -2.02 -0.27 0.00 -1.01 0.00 0.00 66.70 63.34 2k47 h VAL 3 Cb 0.99 2.00 0.02 0.00 -2.01 0.00 0.00 31.29 32.29 2k47 h VAL 3 CO 0.53 0.61 -1.26 -0.25 -1.01 0.00 0.00 177.57 176.20 2k47 h TRP 4 N 0.32 0.64 0.35 3.17 2.91 -1.89 -3.36 115.95 118.09 2k47 h TRP 4 Ca -0.02 -0.47 -0.02 0.00 1.13 0.00 0.00 58.89 59.51 2k47 h TRP 4 Cb 1.23 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 2k47 h TRP 4 CO 0.04 1.49 -0.17 1.03 -1.03 0.00 0.00 178.44 179.80 2k47 h SER 5 N -0.17 -0.39 -3.35 2.65 0.87 -1.95 -3.34 113.55 107.87 2k47 h SER 5 Ca -0.24 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 59.56 2k47 h SER 5 Cb 1.86 0.10 -0.23 0.00 -0.44 0.00 0.00 62.40 63.69 2k47 h SER 5 CO 0.16 -0.27 0.35 -0.76 -0.53 0.00 0.00 176.83 175.78 2k47 s LEU 6 N -10.09 6.20 -0.04 2.23 1.43 -0.82 -4.77 118.68 112.82 2k47 s LEU 6 Ca -0.15 -2.49 0.06 0.00 -1.03 0.00 0.00 54.13 50.51 2k47 s LEU 6 Cb 0.04 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 44.08 2k47 s LEU 6 CO 0.64 -0.73 1.04 -1.20 0.23 0.00 0.00 176.35 176.33 2k47 n SER 7 N 4.81 2.09 -1.94 2.29 7.64 -1.26 -4.65 113.62 122.60 2k47 n SER 7 Ca 0.17 -2.32 -0.20 0.00 1.01 0.00 0.00 58.87 57.54 2k47 n SER 7 Cb 0.48 -0.13 0.17 0.00 -1.01 0.00 0.00 64.21 63.72 2k47 n SER 7 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k47 n LYS 8 N -0.77 2.21 -3.97 1.43 4.76 -1.26 0.13 118.16 120.68 2k47 n LYS 8 Ca 0.05 -3.12 -0.33 0.00 -2.87 0.00 0.00 58.31 52.04 2k47 n LYS 8 Cb 0.37 -2.09 -0.14 0.00 -1.84 0.00 0.00 35.03 31.33 2k47 n LYS 8 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k47 s THR 9 N -3.47 2.59 0.58 -0.18 -1.32 -1.26 -5.02 115.64 107.55 2k47 s THR 9 Ca 0.54 -1.80 -0.04 0.00 -1.21 0.00 0.00 61.69 59.18 2k47 s THR 9 Cb 0.46 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.83 2k47 s THR 9 CO 0.06 -0.28 0.86 -0.94 -2.21 0.00 0.00 174.62 172.11 2k47 s SER 10 N 1.20 5.45 -0.01 8.08 1.04 -1.26 -4.31 113.70 123.88 2k47 s SER 10 Ca -0.01 0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.91 2k47 s SER 10 Cb -0.20 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2k47 s SER 10 CO -0.05 -1.10 -0.05 -0.32 0.98 0.00 0.00 173.24 172.70 2k47 s MET 11 N -4.92 0.53 -0.28 4.02 1.75 -1.14 -4.95 119.30 114.32 2k47 s MET 11 Ca 0.54 -0.17 -0.22 0.00 -1.25 0.00 0.00 55.69 54.59 2k47 s MET 11 Cb -0.10 -0.53 -0.01 0.00 2.84 0.00 0.00 34.83 37.03 2k47 s MET 11 CO 0.43 0.07 0.73 0.99 -0.65 0.00 0.00 175.02 176.58 2k47 s THR 12 N 0.16 4.88 0.08 10.11 2.01 -1.26 -3.71 115.64 127.91 2k47 s THR 12 Ca -0.02 1.20 -0.09 0.00 0.31 0.00 0.00 61.69 63.09 2k47 s THR 12 Cb -0.06 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 2k47 s THR 12 CO -0.00 -0.12 0.39 -0.36 -0.69 0.00 0.00 174.62 173.84 2k47 s PHE 13 N 2.75 3.57 -0.23 4.92 0.08 0.22 -4.95 117.98 124.35 2k47 s PHE 13 Ca 0.30 0.76 -0.01 0.00 0.12 0.00 0.00 56.93 58.10 2k47 s PHE 13 Cb -0.15 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 2k47 s PHE 13 CO 0.10 0.51 -0.09 -1.14 -0.10 0.00 0.00 175.22 174.51 2k47 s GLN 14 N -1.97 2.91 0.62 0.44 0.74 -1.26 -2.77 119.66 118.36 2k47 s GLN 14 Ca 0.33 -0.92 -0.19 0.00 0.05 0.00 0.00 55.36 54.63 2k47 s GLN 14 Cb -0.14 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.05 2k47 s GLN 14 CO 0.18 -0.34 1.32 -2.14 -0.55 0.00 0.00 175.29 173.76 2k47 s PRO 15 N 1.33 2.70 0.08 1.67 0.02 -1.26 -2.01 135.00 137.52 2k47 s PRO 15 Ca 0.01 2.14 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 2k47 s PRO 15 Cb -0.16 -1.96 -0.23 0.00 0.02 0.00 0.00 34.50 32.17 2k47 s PRO 15 CO -0.06 -1.50 1.18 0.87 -0.33 0.00 0.00 177.00 177.16 2k47 h LYS 16 N 0.79 0.66 -5.99 5.54 1.79 -1.85 -3.46 116.57 114.06 2k47 h LYS 16 Ca -0.51 -0.75 -0.56 0.00 -2.18 0.00 0.00 60.65 56.65 2k47 h LYS 16 Cb 1.33 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 32.12 2k47 h LYS 16 CO 0.54 1.32 -0.52 0.15 -1.08 0.00 0.00 179.45 179.86 2k47 s LYS 17 N -3.24 2.26 0.18 3.15 3.01 -1.26 -5.05 119.74 118.80 2k47 s LYS 17 Ca -0.09 -1.72 -0.08 0.00 -1.01 0.00 0.00 55.97 53.06 2k47 s LYS 17 Cb 0.07 -2.05 0.07 0.00 -1.01 0.00 0.00 37.83 34.90 2k47 s LYS 17 CO 0.92 -0.01 1.59 0.00 0.51 0.00 0.00 175.35 178.36 2k47 h ALA 18 N 1.50 0.77 -0.80 5.17 0.00 -2.01 -3.10 119.26 120.80 2k47 h ALA 18 Ca -0.43 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.22 2k47 h ALA 18 Cb 1.25 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2k47 h ALA 18 CO 0.67 0.66 0.43 1.03 0.00 0.00 0.00 179.25 182.04 2k47 h SER 19 N 0.85 0.57 -4.18 0.00 0.87 -2.00 -3.42 113.55 106.24 2k47 h SER 19 Ca 0.12 0.07 -0.51 0.00 -1.23 0.00 0.00 61.79 60.24 2k47 h SER 19 Cb 0.72 -0.03 0.10 0.00 -0.44 0.00 0.00 62.40 62.75 2k47 h SER 19 CO 0.06 0.30 0.38 -0.76 -0.53 0.00 0.00 176.83 176.28 2k47 s LEU 20 N -10.32 3.44 -0.03 2.23 1.43 -1.17 -5.06 118.68 109.21 2k47 s LEU 20 Ca -0.12 2.03 0.07 0.00 -1.03 0.00 0.00 54.13 55.08 2k47 s LEU 20 Cb 0.20 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 2k47 s LEU 20 CO 0.78 -1.58 -0.24 -1.10 0.23 0.00 0.00 176.35 174.44 2k47 s GLN 21 N -3.97 2.23 0.71 1.70 -0.21 -1.26 -4.83 119.66 114.03 2k47 s GLN 21 Ca 0.68 -0.89 -0.16 0.00 0.02 0.00 0.00 55.36 55.01 2k47 s GLN 21 Cb -0.21 -2.12 -0.00 0.00 1.00 0.00 0.00 33.01 31.68 2k47 s GLN 21 CO 0.39 0.55 0.94 -2.30 -2.12 0.00 0.00 175.29 172.75 2k47 n PRO 22 N 2.48 0.54 -4.33 2.91 -0.02 -1.26 -4.72 135.00 130.59 2k47 n PRO 22 Ca -0.16 0.24 -0.25 0.00 -2.02 0.00 0.00 63.50 61.30 2k47 n PRO 22 Cb 0.51 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 2k47 n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k47 s LEU 23 N -2.82 2.34 -0.44 2.45 2.96 -1.12 -4.94 118.68 117.12 2k47 s LEU 23 Ca 0.73 -0.75 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2k47 s LEU 23 Cb -0.35 -0.98 0.17 0.00 0.50 0.00 0.00 46.19 45.53 2k47 s LEU 23 CO 0.50 0.08 0.54 -0.89 -1.32 0.00 0.00 176.35 175.26 2k47 s THR 24 N -1.35 -0.55 0.15 3.68 2.01 -1.26 0.70 115.64 119.02 2k47 s THR 24 Ca 0.11 -1.14 0.06 0.00 0.31 0.00 0.00 61.69 61.04 2k47 s THR 24 Cb -0.09 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2k47 s THR 24 CO 0.06 -0.41 -0.13 -0.51 -0.69 0.00 0.00 174.62 172.94 2k47 s ILE 25 N 1.04 1.38 0.47 1.82 2.07 -1.24 -4.84 121.20 121.90 2k47 s ILE 25 Ca 0.24 -1.92 0.05 0.00 -1.41 0.00 0.00 60.65 57.61 2k47 s ILE 25 Cb -0.04 -1.74 -0.03 0.00 0.13 0.00 0.00 42.46 40.78 2k47 s ILE 25 CO -0.07 -0.55 0.14 -0.55 -1.91 0.00 0.00 174.94 172.00 2k47 s SER 26 N -2.84 4.28 0.03 4.50 0.15 -1.26 -2.89 113.70 115.67 2k47 s SER 26 Ca 0.14 -1.33 -0.18 0.00 0.70 0.00 0.00 55.95 55.27 2k47 s SER 26 Cb -0.02 -0.01 -0.10 0.00 -1.71 0.00 0.00 66.02 64.19 2k47 s SER 26 CO 0.03 -0.72 1.28 -0.07 1.20 0.00 0.00 173.24 174.96 2k47 h LEU 27 N 1.34 -0.60 -1.39 3.45 3.38 -1.73 -1.85 115.31 117.91 2k47 h LEU 27 Ca -0.42 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.59 2k47 h LEU 27 Cb 1.28 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2k47 h LEU 27 CO 0.71 -0.39 0.42 -0.78 0.09 0.00 0.00 178.44 178.49 2k47 h ASP 28 N -0.62 0.71 0.00 -0.43 3.58 -0.65 -0.53 116.42 118.47 2k47 h ASP 28 Ca -0.06 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2k47 h ASP 28 Cb 0.49 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k47 h ASP 28 CO 0.07 0.51 0.00 1.21 -2.88 0.00 0.00 179.24 178.15 2k47 n GLU 29 N -4.45 0.93 -0.00 0.28 4.07 -1.20 -3.47 120.64 116.81 2k47 n GLU 29 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 2k47 n GLU 29 Cb 0.06 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 2k47 n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2k47 n LEU 30 N -0.92 0.84 -4.02 4.31 7.94 -0.26 -4.77 117.00 120.11 2k47 n LEU 30 Ca 0.19 -0.85 -0.19 0.00 -1.11 0.00 0.00 56.01 54.05 2k47 n LEU 30 Cb 0.09 -0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 2k47 n LEU 30 CO 0.14 0.21 -0.44 -0.36 -1.11 0.00 0.00 177.39 175.84 2k47 s PHE 31 N -0.43 0.85 -0.05 1.96 0.08 -0.85 -4.96 117.98 114.59 2k47 s PHE 31 Ca 0.00 -0.17 0.07 0.00 0.12 0.00 0.00 56.93 56.96 2k47 s PHE 31 Cb 0.00 -0.56 0.12 0.00 -0.57 0.00 0.00 43.02 42.01 2k47 s PHE 31 CO 0.00 -0.03 1.06 0.43 -0.10 0.00 0.00 175.22 176.58 2k47 n SER 32 N 2.92 0.91 -3.69 1.36 7.64 -1.26 -4.89 113.62 116.61 2k47 n SER 32 Ca -0.14 -2.42 -0.10 0.00 1.01 0.00 0.00 58.87 57.21 2k47 n SER 32 Cb 0.56 -0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 2k47 n SER 32 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k47 s SER 33 N -1.73 -0.59 0.21 6.43 0.01 -1.26 -5.04 113.70 111.72 2k47 s SER 33 Ca 0.13 1.03 -0.08 0.00 1.31 0.00 0.00 55.95 58.33 2k47 s SER 33 Cb 0.11 0.93 0.15 0.00 0.21 0.00 0.00 66.02 67.43 2k47 s SER 33 CO 0.01 -0.20 1.77 0.08 0.41 0.00 0.00 173.24 175.31 2k47 h ARG 34 N 6.73 1.19 -0.37 12.44 0.11 -2.00 -2.00 114.38 130.48 2k47 h ARG 34 Ca -0.34 -0.22 -0.15 0.00 0.10 0.00 0.00 59.98 59.38 2k47 h ARG 34 Cb 1.19 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 2k47 h ARG 34 CO 0.25 0.97 -0.35 0.78 0.10 0.00 0.00 179.97 181.72 2k47 h GLY 35 N 1.16 0.92 1.06 0.08 0.00 -2.00 -2.96 103.07 101.32 2k47 h GLY 35 Ca 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2k47 h GLY 35 CO -0.02 0.82 0.59 -2.09 0.00 0.00 0.00 176.54 175.84 2k47 h GLU 36 N 0.70 1.26 -0.75 4.80 4.57 -1.91 -1.82 114.58 121.42 2k47 h GLU 36 Ca 0.07 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 2k47 h GLU 36 Cb 0.91 -0.27 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 2k47 h GLU 36 CO 0.08 0.85 0.43 0.35 -1.18 0.00 0.00 179.01 179.55 2k47 h PHE 37 N 1.28 0.79 0.10 0.92 3.04 -1.21 -1.36 116.94 120.50 2k47 h PHE 37 Ca 0.34 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.33 2k47 h PHE 37 Cb -0.10 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.15 2k47 h PHE 37 CO 0.00 0.36 -0.15 0.82 -2.02 0.00 0.00 178.31 177.33 2k47 h ILE 38 N 0.77 0.66 0.24 1.41 1.08 -1.20 -1.70 117.51 118.78 2k47 h ILE 38 Ca 0.34 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 2k47 h ILE 38 Cb 0.24 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2k47 h ILE 38 CO -0.20 0.00 -0.15 -1.28 -0.69 0.00 0.00 178.15 175.83 2k47 h SER 39 N -0.29 -0.38 -0.80 1.72 0.87 -1.02 -3.04 113.55 110.60 2k47 h SER 39 Ca 0.02 0.02 0.31 0.00 -1.23 0.00 0.00 61.79 60.91 2k47 h SER 39 Cb 0.30 0.11 -0.11 0.00 -0.44 0.00 0.00 62.40 62.26 2k47 h SER 39 CO -0.07 -0.23 0.47 1.33 -0.53 0.00 0.00 176.83 177.79 2k47 n VAL 40 N -3.17 -0.25 0.00 2.23 0.24 -0.56 -4.62 118.33 112.20 2k47 n VAL 40 Ca -0.05 1.35 0.00 0.00 -2.04 0.00 0.00 64.34 63.61 2k47 n VAL 40 Cb 0.15 -2.21 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 2k47 n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k47 n GLY 41 N -1.25 0.43 3.01 7.63 0.00 -1.15 -4.53 105.19 109.33 2k47 n GLY 41 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2k47 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k47 s GLY 42 N -0.76 2.14 0.00 -0.02 0.00 -0.65 -4.84 107.32 103.19 2k47 s GLY 42 Ca 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 44.72 41.90 2k47 s GLY 42 CO 0.00 0.98 0.00 1.22 0.00 0.00 0.00 173.10 175.30 2k47 n ASP 43 N 3.87 0.00 0.00 1.64 9.92 -1.26 -4.31 116.55 126.41 2k47 n ASP 43 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2k47 n ASP 43 Cb 0.38 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 2k47 n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k47 n GLY 44 N 2.49 -1.73 3.50 0.44 0.00 -1.26 -4.85 105.19 103.78 2k47 n GLY 44 Ca 0.00 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2k47 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k47 s ARG 45 N -1.00 3.47 0.62 1.61 3.00 -1.23 0.01 118.95 125.43 2k47 s ARG 45 Ca 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 55.73 54.44 2k47 s ARG 45 Cb 0.00 -4.87 0.02 0.00 0.00 0.00 0.00 34.95 30.10 2k47 s ARG 45 CO 0.00 -1.96 0.92 1.41 0.00 0.00 0.00 175.30 175.67 2k47 s MET 46 N 4.00 2.73 0.00 3.54 1.75 -1.26 -5.00 119.30 125.06 2k47 s MET 46 Ca 0.36 -0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 2k47 s MET 46 Cb -0.06 -2.25 0.00 0.00 2.84 0.00 0.00 34.83 35.36 2k47 s MET 46 CO -0.04 -0.83 0.00 0.45 -0.65 0.00 0.00 175.02 173.95 2k47 n SER 47 N -2.66 0.00 0.00 1.11 2.88 -1.26 -4.92 113.62 108.78 2k47 n SER 47 Ca 0.05 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2k47 n SER 47 Cb 0.58 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2k47 n SER 47 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k47 n HIS 48 N -2.01 0.00 0.11 0.66 -0.00 -1.26 -4.94 115.22 107.78 2k47 n HIS 48 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 2k47 n HIS 48 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2k47 n HIS 48 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2k47 h LYS 49 N 0.00 0.00 0.30 1.57 1.63 -1.99 -3.36 116.57 114.73 2k47 h LYS 49 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2k47 h LYS 49 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2k47 h LYS 49 CO 0.00 0.68 -0.14 0.93 -3.45 0.00 0.00 179.45 177.47 2k47 h GLU 50 N 0.00 -0.39 -0.30 1.90 5.08 -1.98 -2.59 114.58 116.31 2k47 h GLU 50 Ca -0.01 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2k47 h GLU 50 Cb 1.53 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.79 2k47 h GLU 50 CO 0.09 -0.13 -0.48 0.00 -1.00 0.00 0.00 179.01 177.49 2k47 h ALA 51 N 0.01 -0.63 -0.45 3.43 0.00 -1.89 -1.39 119.26 118.35 2k47 h ALA 51 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k47 h ALA 51 Cb 0.44 0.94 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2k47 h ALA 51 CO 0.07 -0.96 0.26 0.82 0.00 0.00 0.00 179.25 179.44 2k47 h ILE 52 N -0.43 1.05 -0.78 0.00 1.08 -1.72 -2.38 117.51 114.32 2k47 h ILE 52 Ca 0.09 -0.18 0.23 0.00 -0.39 0.00 0.00 64.86 64.61 2k47 h ILE 52 Cb 0.62 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2k47 h ILE 52 CO -0.52 0.10 0.65 0.25 -0.69 0.00 0.00 178.15 177.94 2k47 h LEU 53 N 0.53 0.00 -1.51 1.44 5.85 -0.85 -0.56 115.31 120.22 2k47 h LEU 53 Ca 0.18 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.19 2k47 h LEU 53 Cb 0.01 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 2k47 h LEU 53 CO -0.08 0.00 0.71 -0.07 -0.34 0.00 0.00 178.44 178.66 2k47 h LEU 54 N 0.00 0.33 -0.71 2.25 4.07 -0.96 -1.93 115.31 118.37 2k47 h LEU 54 Ca 0.37 0.07 0.15 0.00 0.08 0.00 0.00 57.88 58.55 2k47 h LEU 54 Cb 1.66 0.01 -0.11 0.00 1.08 0.00 0.00 40.66 43.30 2k47 h LEU 54 CO -0.00 0.05 0.09 1.23 -1.08 0.00 0.00 178.44 178.73 2k47 h GLY 55 N 0.29 0.88 0.12 0.83 0.00 -1.29 -1.11 103.07 102.79 2k47 h GLY 55 Ca 0.59 0.03 0.14 0.00 0.00 0.00 0.00 47.33 48.09 2k47 h GLY 55 CO -0.23 -0.22 0.25 1.41 0.00 0.00 0.00 176.54 177.74 2k47 h LEU 56 N 0.18 0.19 -1.47 3.11 3.38 -1.57 0.17 115.31 119.29 2k47 h LEU 56 Ca 0.39 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.42 2k47 h LEU 56 Cb 0.67 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2k47 h LEU 56 CO -0.55 0.06 -0.26 0.03 0.09 0.00 0.00 178.44 177.82 2k47 h ARG 57 N 0.38 0.01 -0.02 1.13 -0.00 -1.36 0.11 114.38 114.64 2k47 h ARG 57 Ca 0.39 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.84 2k47 h ARG 57 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.58 2k47 h ARG 57 CO -0.42 0.27 -0.10 -0.92 0.00 0.00 0.00 179.97 178.79 2k47 h TYR 58 N 0.01 0.13 0.00 3.04 3.20 -0.43 -3.23 116.97 119.69 2k47 h TYR 58 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k47 h TYR 58 Cb 0.46 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2k47 h TYR 58 CO 0.00 0.78 0.00 0.87 -1.64 0.00 0.00 178.16 178.17 2k47 h LYS 59 N -0.55 0.00 -3.94 1.82 1.79 -0.69 -3.48 116.57 111.52 2k47 h LYS 59 Ca -0.01 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2k47 h LYS 59 Cb 0.79 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.48 2k47 h LYS 59 CO 0.02 0.00 -0.16 1.63 -1.08 0.00 0.00 179.45 179.86 2k47 n LYS 60 N -2.54 -0.69 -0.88 3.15 4.76 0.29 -5.01 118.16 117.24 2k47 n LYS 60 Ca 0.02 0.63 -0.04 0.00 -2.87 0.00 0.00 58.31 56.05 2k47 n LYS 60 Cb 0.30 -3.18 -0.04 0.00 -1.84 0.00 0.00 35.03 30.28 2k47 n LYS 60 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k47 n LEU 61 N -1.71 -0.64 0.19 -0.35 -0.00 -0.59 -4.97 117.00 108.93 2k47 n LEU 61 Ca -0.01 -1.30 0.14 0.00 -0.00 0.00 0.00 56.01 54.84 2k47 n LEU 61 Cb 0.52 0.02 0.67 0.00 -0.00 0.00 0.00 43.42 44.63 2k47 n LEU 61 CO 0.22 1.14 0.91 0.22 -0.00 0.00 0.00 177.39 179.87 2k47 h TYR 62 N 0.03 0.00 0.37 1.47 3.20 -1.93 -0.98 116.97 119.13 2k47 h TYR 62 Ca -0.35 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 2k47 h TYR 62 Cb 1.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2k47 h TYR 62 CO -0.12 0.00 -0.18 -0.97 -1.64 0.00 0.00 178.16 175.25 2k47 h ASN 63 N 0.00 -0.42 0.19 -2.11 -1.24 -1.93 -3.35 115.58 106.72 2k47 h ASN 63 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2k47 h ASN 63 Cb 0.16 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2k47 h ASN 63 CO 0.00 -0.14 -0.66 0.00 -1.29 0.00 0.00 177.43 175.34 2k47 n GLN 64 N -4.21 0.30 -0.05 6.67 6.02 -1.22 -4.32 117.38 120.56 2k47 n GLN 64 Ca -0.06 -0.22 -0.14 0.00 -0.01 0.00 0.00 57.00 56.58 2k47 n GLN 64 Cb 0.20 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 2k47 n GLN 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k47 h ALA 65 N 3.23 0.51 0.00 -1.58 0.00 -1.34 0.11 119.26 120.18 2k47 h ALA 65 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2k47 h ALA 65 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k47 h ALA 65 CO 0.00 0.69 -0.27 -0.09 0.00 0.00 0.00 179.25 179.57 2k47 h ARG 66 N 0.59 0.00 0.07 0.00 2.43 -1.75 -2.52 114.38 113.20 2k47 h ARG 66 Ca 0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 2k47 h ARG 66 Cb 1.17 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 2k47 h ARG 66 CO 0.12 0.27 -2.17 1.33 -1.51 0.00 0.00 179.97 178.02 2k47 n VAL 67 N -3.52 1.66 0.18 0.20 0.24 -1.17 -4.09 118.33 111.82 2k47 n VAL 67 Ca -0.00 -0.59 0.02 0.00 -2.04 0.00 0.00 64.34 61.73 2k47 n VAL 67 Cb 0.43 -1.63 0.36 0.00 -1.47 0.00 0.00 33.84 31.53 2k47 n VAL 67 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2k47 h LYS 68 N -0.03 0.03 -6.12 7.34 1.79 -0.83 -3.45 116.57 115.29 2k47 h LYS 68 Ca -0.49 -0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.37 2k47 h LYS 68 Cb 1.94 -0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 32.45 2k47 h LYS 68 CO -0.01 0.37 -0.75 0.71 -1.08 0.00 0.00 179.45 178.70 2k47 s TYR 69 N -4.25 2.27 -0.74 -1.35 1.51 -0.95 -2.59 117.35 111.25 2k47 s TYR 69 Ca -0.03 -0.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.40 2k47 s TYR 69 Cb 0.14 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2k47 s TYR 69 CO 0.73 0.67 1.68 0.45 -1.11 0.00 0.00 175.55 177.97 2k47 s SER 70 N -3.51 5.61 0.00 2.29 0.15 -0.85 -4.65 113.70 112.74 2k47 s SER 70 Ca 0.30 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2k47 s SER 70 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2k47 s SER 70 CO 0.15 -2.21 0.00 0.18 1.20 0.00 0.00 173.24 172.56 2k47 n LEU 71 N 11.68 0.00 -4.52 3.45 4.32 -1.26 -4.51 117.00 126.16 2k47 n LEU 71 Ca 0.20 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.95 2k47 n LEU 71 Cb 0.50 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.20 2k47 n LEU 71 CO 0.69 -0.27 -0.25 -0.76 -1.22 0.00 0.00 177.39 175.57 2k47 s LEU 72 N -3.61 2.23 0.00 2.23 2.01 -1.26 -5.10 118.68 115.18 2k47 s LEU 72 Ca 0.00 -1.47 0.29 0.00 0.01 0.00 0.00 54.13 52.96 2k47 s LEU 72 Cb 0.00 -0.42 1.75 0.00 0.01 0.00 0.00 46.19 47.53 2k47 s LEU 72 CO 0.00 -0.69 2.09 -0.62 1.01 0.00 0.00 176.35 178.14