#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 -0.09 0.29 -3.46 1.01 -1.26 -4.94 116.67 108.21 2k47 s ASP 2 Ca 0.00 -0.85 0.04 0.00 0.71 0.00 0.00 52.55 52.44 2k47 s ASP 2 Cb 0.00 0.69 0.45 0.00 1.01 0.00 0.00 42.92 45.06 2k47 s ASP 2 CO 0.00 -1.31 1.73 1.62 0.21 0.00 0.00 175.17 177.43 2k47 h VAL 3 N 2.11 1.27 0.18 -1.27 3.04 -0.39 -0.47 116.25 120.71 2k47 h VAL 3 Ca -0.24 -1.27 -0.27 0.00 -1.01 0.00 0.00 66.70 63.91 2k47 h VAL 3 Cb 1.25 1.40 0.02 0.00 -2.01 0.00 0.00 31.29 31.95 2k47 h VAL 3 CO 0.31 0.40 -1.24 -0.25 -1.01 0.00 0.00 177.57 175.77 2k47 h TRP 4 N 0.37 0.70 0.12 3.17 2.91 -1.92 -3.35 115.95 117.95 2k47 h TRP 4 Ca 0.05 -0.51 -0.00 0.00 1.13 0.00 0.00 58.89 59.56 2k47 h TRP 4 Cb 0.67 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.29 2k47 h TRP 4 CO 0.02 1.48 -0.07 1.03 -1.03 0.00 0.00 178.44 179.87 2k47 h SER 5 N -0.14 -0.17 -3.43 2.65 0.87 -1.92 -3.35 113.55 108.06 2k47 h SER 5 Ca -0.23 0.01 -0.77 0.00 -1.23 0.00 0.00 61.79 59.56 2k47 h SER 5 Cb 1.89 0.05 -0.25 0.00 -0.44 0.00 0.00 62.40 63.65 2k47 h SER 5 CO 0.18 -0.11 -0.08 -0.76 -0.53 0.00 0.00 176.83 175.53 2k47 s LEU 6 N -10.18 6.44 -0.02 2.23 1.43 -0.19 -4.81 118.68 113.59 2k47 s LEU 6 Ca -0.14 -2.21 0.03 0.00 -1.03 0.00 0.00 54.13 50.78 2k47 s LEU 6 Cb 0.06 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 44.12 2k47 s LEU 6 CO 0.65 -0.72 0.87 -1.20 0.23 0.00 0.00 176.35 176.18 2k47 n SER 7 N 4.65 1.20 -1.57 2.29 7.64 -1.26 -4.62 113.62 121.95 2k47 n SER 7 Ca -0.01 -1.88 0.10 0.00 1.01 0.00 0.00 58.87 58.09 2k47 n SER 7 Cb 0.43 -0.10 0.36 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.44 3.54 -3.33 1.43 4.76 -1.26 -0.71 118.16 122.13 2k47 n LYS 8 Ca 0.03 -2.87 -0.46 0.00 -2.87 0.00 0.00 58.31 52.14 2k47 n LYS 8 Cb 0.45 -1.83 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 2k47 n LYS 8 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k47 s THR 9 N -1.65 5.17 0.71 -0.18 -4.23 -1.26 -4.99 115.64 109.21 2k47 s THR 9 Ca 0.52 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.48 2k47 s THR 9 Cb 0.32 -4.28 0.01 0.00 1.34 0.00 0.00 72.50 69.89 2k47 s THR 9 CO 0.27 -0.81 1.08 -0.94 -0.54 0.00 0.00 174.62 173.68 2k47 s SER 10 N 3.38 5.41 -0.01 3.99 1.04 -1.26 -4.40 113.70 121.85 2k47 s SER 10 Ca 0.03 1.29 0.03 0.00 0.48 0.00 0.00 55.95 57.79 2k47 s SER 10 Cb -0.29 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 2k47 s SER 10 CO 0.04 -1.38 -0.11 -0.32 0.98 0.00 0.00 173.24 172.44 2k47 s MET 11 N -5.24 0.93 -0.16 4.02 1.75 -0.91 -4.92 119.30 114.78 2k47 s MET 11 Ca 0.58 -0.40 -0.22 0.00 -1.25 0.00 0.00 55.69 54.40 2k47 s MET 11 Cb -0.12 -0.90 -0.03 0.00 2.84 0.00 0.00 34.83 36.63 2k47 s MET 11 CO 0.53 0.24 0.66 0.99 -0.65 0.00 0.00 175.02 176.79 2k47 s THR 12 N -0.24 5.02 -0.03 10.11 2.01 -1.26 -3.31 115.64 127.94 2k47 s THR 12 Ca 0.04 1.28 -0.14 0.00 0.31 0.00 0.00 61.69 63.18 2k47 s THR 12 Cb -0.05 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2k47 s THR 12 CO -0.00 0.15 0.38 -0.36 -0.69 0.00 0.00 174.62 174.10 2k47 s PHE 13 N 1.58 3.68 -0.25 4.92 0.40 0.18 -4.93 117.98 123.56 2k47 s PHE 13 Ca 0.32 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 2k47 s PHE 13 Cb -0.16 -2.28 0.04 0.00 0.51 0.00 0.00 43.02 41.12 2k47 s PHE 13 CO 0.12 0.58 -0.10 -0.65 0.70 0.00 0.00 175.22 175.88 2k47 s GLN 14 N -0.80 2.60 0.48 0.44 -0.21 -1.26 -2.59 119.66 118.31 2k47 s GLN 14 Ca 0.23 -1.12 -0.24 0.00 0.02 0.00 0.00 55.36 54.25 2k47 s GLN 14 Cb -0.16 -2.90 -0.07 0.00 1.00 0.00 0.00 33.01 30.88 2k47 s GLN 14 CO 0.11 -0.45 1.31 -2.14 -2.12 0.00 0.00 175.29 172.00 2k47 s PRO 15 N 1.23 3.57 0.07 2.91 0.02 -1.26 -1.79 135.00 139.75 2k47 s PRO 15 Ca -0.03 2.13 -0.14 0.00 0.02 0.00 0.00 61.00 62.98 2k47 s PRO 15 Cb -0.18 -2.47 -0.24 0.00 0.02 0.00 0.00 34.50 31.63 2k47 s PRO 15 CO -0.06 -0.81 1.17 0.87 -0.33 0.00 0.00 177.00 177.84 2k47 h LYS 16 N 2.03 0.69 -6.06 5.54 1.79 -1.55 -3.47 116.57 115.53 2k47 h LYS 16 Ca -0.50 -0.77 -0.53 0.00 -2.18 0.00 0.00 60.65 56.67 2k47 h LYS 16 Cb 1.27 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 32.10 2k47 h LYS 16 CO 0.60 1.34 -0.40 0.15 -1.08 0.00 0.00 179.45 180.05 2k47 s LYS 17 N -3.25 2.40 0.18 3.15 1.02 -1.26 -5.05 119.74 116.93 2k47 s LYS 17 Ca -0.10 -1.69 -0.05 0.00 0.02 0.00 0.00 55.97 54.15 2k47 s LYS 17 Cb 0.07 -2.22 0.06 0.00 -0.52 0.00 0.00 37.83 35.21 2k47 s LYS 17 CO 0.92 -0.22 1.48 0.00 -0.92 0.00 0.00 175.35 176.61 2k47 h ALA 18 N 1.11 0.64 -0.77 5.17 0.00 -2.02 -3.20 119.26 120.20 2k47 h ALA 18 Ca -0.41 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 54.08 2k47 h ALA 18 Cb 1.27 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2k47 h ALA 18 CO 0.61 0.69 0.40 0.77 0.00 0.00 0.00 179.25 181.72 2k47 h SER 19 N 0.48 0.53 -3.98 0.00 0.02 -1.99 -3.42 113.55 105.20 2k47 h SER 19 Ca 0.01 0.06 -0.49 0.00 -0.84 0.00 0.00 61.79 60.53 2k47 h SER 19 Cb 1.12 -0.03 0.04 0.00 0.14 0.00 0.00 62.40 63.66 2k47 h SER 19 CO 0.11 0.29 0.44 -0.76 -1.14 0.00 0.00 176.83 175.77 2k47 s LEU 20 N -10.32 4.10 -0.05 5.07 1.43 -1.21 -5.06 118.68 112.64 2k47 s LEU 20 Ca -0.12 2.15 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 2k47 s LEU 20 Cb 0.19 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 2k47 s LEU 20 CO 0.77 -0.65 -0.13 -1.10 0.23 0.00 0.00 176.35 175.47 2k47 s GLN 21 N -2.56 2.54 1.00 1.70 -0.21 -1.26 -4.77 119.66 116.11 2k47 s GLN 21 Ca 0.60 -0.67 -0.13 0.00 0.02 0.00 0.00 55.36 55.18 2k47 s GLN 21 Cb -0.25 -2.42 0.12 0.00 1.00 0.00 0.00 33.01 31.47 2k47 s GLN 21 CO 0.31 0.63 0.66 -2.30 -2.12 0.00 0.00 175.29 172.47 2k47 n PRO 22 N 2.27 -0.90 -4.17 2.91 -0.02 -1.26 -4.75 135.00 129.07 2k47 n PRO 22 Ca -0.17 -0.22 -0.11 0.00 -2.02 0.00 0.00 63.50 60.98 2k47 n PRO 22 Cb 0.52 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 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 -3.78 2.50 -0.46 2.45 2.96 -1.07 -4.94 118.68 116.35 2k47 s LEU 23 Ca 0.62 -1.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2k47 s LEU 23 Cb -0.21 -0.07 0.18 0.00 0.50 0.00 0.00 46.19 46.59 2k47 s LEU 23 CO 0.64 -0.47 0.58 -0.89 -1.32 0.00 0.00 176.35 174.89 2k47 s THR 24 N -3.63 -0.65 0.13 3.68 2.01 -1.26 0.48 115.64 116.41 2k47 s THR 24 Ca 0.12 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 61.06 2k47 s THR 24 Cb 0.05 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2k47 s THR 24 CO -0.04 -0.32 -0.13 -0.51 -0.69 0.00 0.00 174.62 172.93 2k47 s ILE 25 N 0.99 1.28 0.49 1.82 1.10 -1.21 -4.84 121.20 120.84 2k47 s ILE 25 Ca 0.26 -1.83 0.04 0.00 -0.51 0.00 0.00 60.65 58.60 2k47 s ILE 25 Cb -0.03 -1.63 -0.01 0.00 0.15 0.00 0.00 42.46 40.94 2k47 s ILE 25 CO -0.08 -0.53 0.15 -0.55 -2.11 0.00 0.00 174.94 171.82 2k47 s SER 26 N -2.70 4.30 0.04 4.50 0.15 -1.26 -2.14 113.70 116.60 2k47 s SER 26 Ca 0.11 -1.41 -0.15 0.00 0.70 0.00 0.00 55.95 55.20 2k47 s SER 26 Cb -0.03 0.24 -0.07 0.00 -1.71 0.00 0.00 66.02 64.45 2k47 s SER 26 CO 0.02 -0.84 1.23 -0.07 1.20 0.00 0.00 173.24 174.79 2k47 h LEU 27 N 1.23 -0.61 -1.59 3.45 3.38 -1.75 -1.73 115.31 117.68 2k47 h LEU 27 Ca -0.42 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2k47 h LEU 27 Cb 1.29 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2k47 h LEU 27 CO 0.69 -0.27 0.13 -0.78 0.09 0.00 0.00 178.44 178.30 2k47 h ASP 28 N -0.40 0.35 0.05 -0.43 1.82 -1.27 -1.37 116.42 115.16 2k47 h ASP 28 Ca -0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2k47 h ASP 28 Cb 0.36 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2k47 h ASP 28 CO -0.05 0.31 0.00 -0.62 -1.61 0.00 0.00 179.24 177.28 2k47 n GLU 29 N -4.43 0.87 -0.18 0.28 4.71 -1.12 -3.51 120.64 117.26 2k47 n GLU 29 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.19 2k47 n GLU 29 Cb 0.12 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.09 2k47 n GLU 29 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2k47 n LEU 30 N -1.03 1.08 -3.91 -4.62 7.94 -0.53 -4.75 117.00 111.18 2k47 n LEU 30 Ca 0.21 -1.61 -0.13 0.00 -1.11 0.00 0.00 56.01 53.37 2k47 n LEU 30 Cb 0.11 -0.13 -0.14 0.00 0.53 0.00 0.00 43.42 43.80 2k47 n LEU 30 CO 0.17 0.38 -0.37 -0.36 -1.11 0.00 0.00 177.39 176.10 2k47 s PHE 31 N -1.05 0.15 -0.22 1.96 0.08 -1.12 -4.94 117.98 112.85 2k47 s PHE 31 Ca 0.10 -0.09 0.18 0.00 0.12 0.00 0.00 56.93 57.24 2k47 s PHE 31 Cb 0.08 -0.10 0.48 0.00 -0.57 0.00 0.00 43.02 42.91 2k47 s PHE 31 CO 0.01 -0.02 1.15 0.43 -0.10 0.00 0.00 175.22 176.68 2k47 n SER 32 N 2.85 2.33 -3.64 1.36 7.64 -1.26 -4.91 113.62 117.99 2k47 n SER 32 Ca -0.14 -2.61 -0.06 0.00 1.01 0.00 0.00 58.87 57.08 2k47 n SER 32 Cb 0.59 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 2k47 n SER 32 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k47 s SER 33 N -3.41 -0.39 0.05 6.43 0.15 -1.26 -5.03 113.70 110.25 2k47 s SER 33 Ca 0.35 0.70 -0.26 0.00 0.70 0.00 0.00 55.95 57.44 2k47 s SER 33 Cb 0.36 0.85 -0.17 0.00 -1.71 0.00 0.00 66.02 65.35 2k47 s SER 33 CO -0.04 -0.12 1.54 -0.09 1.20 0.00 0.00 173.24 175.73 2k47 h ARG 34 N 4.59 -0.27 -0.42 5.44 2.43 -2.01 -2.66 114.38 121.49 2k47 h ARG 34 Ca -0.28 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2k47 h ARG 34 Cb 1.18 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2k47 h ARG 34 CO 0.15 -0.07 0.23 0.78 -1.51 0.00 0.00 179.97 179.55 2k47 h GLY 35 N -0.42 0.60 0.80 2.80 0.00 -2.00 -2.14 103.07 102.72 2k47 h GLY 35 Ca -0.03 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.09 2k47 h GLY 35 CO 0.05 0.24 0.42 -2.09 0.00 0.00 0.00 176.54 175.16 2k47 h GLU 36 N 0.57 0.79 -0.76 4.80 4.57 -1.92 -1.92 114.58 120.71 2k47 h GLU 36 Ca 0.15 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2k47 h GLU 36 Cb 0.01 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 2k47 h GLU 36 CO -0.03 0.52 0.50 0.35 -1.18 0.00 0.00 179.01 179.17 2k47 h PHE 37 N 0.81 0.94 0.03 0.92 3.57 -1.04 -1.69 116.94 120.47 2k47 h PHE 37 Ca 0.29 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.84 2k47 h PHE 37 Cb 0.08 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 2k47 h PHE 37 CO -0.05 0.57 -0.22 0.82 -2.23 0.00 0.00 178.31 177.20 2k47 h ILE 38 N 1.00 0.49 0.25 1.41 1.08 -1.17 -1.31 117.51 119.25 2k47 h ILE 38 Ca 0.29 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.75 2k47 h ILE 38 Cb -0.06 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2k47 h ILE 38 CO -0.08 0.00 -0.14 0.28 -0.69 0.00 0.00 178.15 177.52 2k47 h SER 39 N -0.37 -0.35 -0.80 1.72 0.02 -1.15 -3.10 113.55 109.52 2k47 h SER 39 Ca 0.05 0.02 0.31 0.00 -0.84 0.00 0.00 61.79 61.32 2k47 h SER 39 Cb 0.43 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.96 2k47 h SER 39 CO -0.18 -0.22 0.48 1.33 -1.14 0.00 0.00 176.83 177.09 2k47 n VAL 40 N -3.08 -0.24 0.00 2.27 0.24 -0.66 -4.61 118.33 112.25 2k47 n VAL 40 Ca -0.04 1.32 0.00 0.00 -2.04 0.00 0.00 64.34 63.58 2k47 n VAL 40 Cb 0.15 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.36 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 -1.26 0.43 2.87 7.63 0.00 -1.11 -4.57 105.19 109.18 2k47 n GLY 41 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.66 2.02 0.00 -0.02 0.00 -0.51 -4.86 107.32 103.29 2k47 s GLY 42 Ca 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 41.89 2k47 s GLY 42 CO 0.00 1.21 0.00 1.22 0.00 0.00 0.00 173.10 175.53 2k47 n ASP 43 N 3.55 0.00 0.01 1.64 9.92 -1.26 -4.25 116.55 126.15 2k47 n ASP 43 Ca 0.05 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2k47 n ASP 43 Cb 0.35 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 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 2.24 -1.78 3.44 0.44 0.00 -1.26 -4.92 105.19 103.35 2k47 n GLY 44 Ca 0.00 0.43 -0.44 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.03 3.66 0.83 1.61 3.00 -1.26 0.33 118.95 126.09 2k47 s ARG 45 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 55.73 53.70 2k47 s ARG 45 Cb 0.00 -4.90 0.09 0.00 0.00 0.00 0.00 34.95 30.14 2k47 s ARG 45 CO 0.00 -1.74 1.19 1.41 0.00 0.00 0.00 175.30 176.16 2k47 s MET 46 N 2.38 1.78 0.00 3.54 1.75 -1.26 -4.98 119.30 122.51 2k47 s MET 46 Ca 0.33 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.85 2k47 s MET 46 Cb -0.05 -1.93 0.00 0.00 2.84 0.00 0.00 34.83 35.69 2k47 s MET 46 CO -0.08 -1.72 0.00 0.43 -0.65 0.00 0.00 175.02 173.00 2k47 n SER 47 N -3.40 0.00 0.01 1.11 7.64 -1.26 -4.94 113.62 112.79 2k47 n SER 47 Ca 0.08 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2k47 n SER 47 Cb 0.61 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2k47 n SER 47 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k47 n HIS 48 N -1.20 -1.16 0.20 1.43 -0.00 -1.26 -4.93 115.22 108.30 2k47 n HIS 48 Ca 0.00 0.09 0.04 0.00 0.46 0.00 0.00 57.72 58.32 2k47 n HIS 48 Cb 0.00 0.41 0.42 0.00 -0.12 0.00 0.00 29.99 30.70 2k47 n HIS 48 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2k47 h LYS 49 N 0.00 0.00 0.20 1.57 1.57 -1.99 -3.17 116.57 114.75 2k47 h LYS 49 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k47 h LYS 49 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k47 h LYS 49 CO 0.00 0.31 -0.09 1.49 -0.57 0.00 0.00 179.45 180.59 2k47 h GLU 50 N 0.00 -0.25 -0.29 3.15 4.57 -1.95 -2.76 114.58 117.04 2k47 h GLU 50 Ca -0.00 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 2k47 h GLU 50 Cb 0.59 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.16 2k47 h GLU 50 CO 0.04 -0.01 -0.44 0.00 -1.18 0.00 0.00 179.01 177.43 2k47 h ALA 51 N 0.27 -0.53 -0.47 2.92 0.00 -1.88 -1.54 119.26 118.03 2k47 h ALA 51 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k47 h ALA 51 Cb 0.37 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2k47 h ALA 51 CO 0.04 -0.91 0.25 0.82 0.00 0.00 0.00 179.25 179.45 2k47 h ILE 52 N -0.40 0.98 -0.84 0.00 1.08 -1.64 -2.43 117.51 114.25 2k47 h ILE 52 Ca 0.11 -0.17 0.24 0.00 -0.39 0.00 0.00 64.86 64.65 2k47 h ILE 52 Cb 0.60 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2k47 h ILE 52 CO -0.50 0.09 0.63 0.25 -0.69 0.00 0.00 178.15 177.93 2k47 h LEU 53 N 0.49 0.00 -1.60 1.44 5.85 -0.98 -1.23 115.31 119.28 2k47 h LEU 53 Ca 0.20 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.26 2k47 h LEU 53 Cb 0.09 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 2k47 h LEU 53 CO -0.13 0.00 0.80 -0.07 -0.34 0.00 0.00 178.44 178.70 2k47 h LEU 54 N 0.00 0.24 -0.69 2.25 4.07 -1.10 -1.76 115.31 118.32 2k47 h LEU 54 Ca 0.40 0.06 0.14 0.00 0.08 0.00 0.00 57.88 58.57 2k47 h LEU 54 Cb 1.66 0.03 -0.10 0.00 1.08 0.00 0.00 40.66 43.33 2k47 h LEU 54 CO -0.00 -0.00 0.17 1.23 -1.08 0.00 0.00 178.44 178.75 2k47 h GLY 55 N 0.19 0.94 -0.01 0.83 0.00 -1.42 -1.68 103.07 101.92 2k47 h GLY 55 Ca 0.65 -0.04 0.18 0.00 0.00 0.00 0.00 47.33 48.12 2k47 h GLY 55 CO -0.22 -0.16 0.36 1.41 0.00 0.00 0.00 176.54 177.93 2k47 h LEU 56 N 0.28 0.33 -1.33 3.11 3.38 -1.55 0.16 115.31 119.69 2k47 h LEU 56 Ca 0.38 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.45 2k47 h LEU 56 Cb 0.62 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2k47 h LEU 56 CO -0.47 0.07 0.12 0.03 0.09 0.00 0.00 178.44 178.29 2k47 h ARG 57 N 0.45 0.58 -0.07 1.13 2.47 -1.47 0.23 114.38 117.70 2k47 h ARG 57 Ca 0.49 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 59.10 2k47 h ARG 57 Cb 0.83 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2k47 h ARG 57 CO -0.46 0.51 -0.02 -0.92 0.56 0.00 0.00 179.97 179.65 2k47 h TYR 58 N 0.57 0.16 0.00 3.04 3.20 -0.63 -3.12 116.97 120.19 2k47 h TYR 58 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2k47 h TYR 58 Cb 0.18 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2k47 h TYR 58 CO 0.01 0.47 0.00 1.63 -1.64 0.00 0.00 178.16 178.63 2k47 n LYS 59 N -4.80 0.17 -2.38 1.82 4.76 -0.60 -4.97 118.16 112.16 2k47 n LYS 59 Ca -0.07 0.18 -0.03 0.00 -2.87 0.00 0.00 58.31 55.52 2k47 n LYS 59 Cb 0.23 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 31.72 2k47 n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k47 n LYS 60 N -2.01 -0.88 -0.85 1.97 5.02 0.72 -5.00 118.16 117.14 2k47 n LYS 60 Ca 0.06 0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 57.17 2k47 n LYS 60 Cb 0.37 -3.84 -0.05 0.00 -0.02 0.00 0.00 35.03 31.50 2k47 n LYS 60 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k47 n LEU 61 N -1.74 -0.69 0.33 -0.35 -0.00 -0.72 -4.97 117.00 108.87 2k47 n LEU 61 Ca -0.01 -1.38 0.20 0.00 -0.00 0.00 0.00 56.01 54.82 2k47 n LEU 61 Cb 0.52 0.00 1.07 0.00 -0.00 0.00 0.00 43.42 45.01 2k47 n LEU 61 CO 0.30 1.19 1.17 0.22 -0.00 0.00 0.00 177.39 180.26 2k47 h TYR 62 N 0.00 0.00 0.19 1.47 3.20 -1.94 -0.65 116.97 119.23 2k47 h TYR 62 Ca -0.39 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 2k47 h TYR 62 Cb 1.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2k47 h TYR 62 CO -0.13 0.00 -0.09 -0.97 -1.64 0.00 0.00 178.16 175.33 2k47 h ASN 63 N 0.00 -0.21 0.14 -2.11 -0.73 -1.94 -3.36 115.58 107.38 2k47 h ASN 63 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2k47 h ASN 63 Cb 0.24 0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2k47 h ASN 63 CO -0.00 -0.08 -0.38 0.00 -0.37 0.00 0.00 177.43 176.61 2k47 n GLN 64 N -3.07 0.93 0.01 6.67 6.02 -1.20 -4.33 117.38 122.41 2k47 n GLN 64 Ca -0.03 -0.65 -0.18 0.00 -0.01 0.00 0.00 57.00 56.12 2k47 n GLN 64 Cb 0.10 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 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 3.72 0.13 0.00 -1.58 0.00 -1.29 -1.57 119.26 118.66 2k47 h ALA 65 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2k47 h ALA 65 Cb 0.60 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k47 h ALA 65 CO 0.00 0.50 -0.22 -0.09 0.00 0.00 0.00 179.25 179.44 2k47 h ARG 66 N 0.15 0.00 0.03 0.00 2.43 -1.75 -2.37 114.38 112.86 2k47 h ARG 66 Ca -0.09 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.80 2k47 h ARG 66 Cb 1.43 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.95 2k47 h ARG 66 CO 0.15 0.22 -1.58 -0.24 -1.51 0.00 0.00 179.97 177.00 2k47 h VAL 67 N 0.00 1.03 0.00 0.20 3.04 -1.76 -3.35 116.25 115.41 2k47 h VAL 67 Ca -0.00 -2.81 -0.01 0.00 -1.01 0.00 0.00 66.70 62.87 2k47 h VAL 67 Cb 0.43 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2k47 h VAL 67 CO 0.03 0.66 -0.04 0.11 -1.01 0.00 0.00 177.57 177.32 2k47 h LYS 68 N 0.02 0.00 -4.93 4.17 1.57 -1.06 -3.45 116.57 112.89 2k47 h LYS 68 Ca -0.24 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.24 2k47 h LYS 68 Cb 1.97 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.14 2k47 h LYS 68 CO 0.10 0.04 -0.70 0.71 -0.57 0.00 0.00 179.45 179.03 2k47 s TYR 69 N -3.50 1.19 -0.97 -1.35 1.51 -0.91 -1.42 117.35 111.90 2k47 s TYR 69 Ca 0.03 -0.85 -0.24 0.00 -1.01 0.00 0.00 57.07 55.01 2k47 s TYR 69 Cb 0.08 -0.64 0.05 0.00 -0.11 0.00 0.00 41.96 41.33 2k47 s TYR 69 CO 0.60 -0.03 1.41 -1.12 -1.11 0.00 0.00 175.55 175.31 2k47 s SER 70 N -3.15 6.44 -0.01 2.29 0.01 -0.74 -4.72 113.70 113.83 2k47 s SER 70 Ca 0.17 -1.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.11 2k47 s SER 70 Cb 0.04 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2k47 s SER 70 CO 0.00 -1.56 -0.06 0.18 0.41 0.00 0.00 173.24 172.21 2k47 n LEU 71 N 8.92 0.60 -4.36 2.44 4.32 -1.26 -4.55 117.00 123.12 2k47 n LEU 71 Ca 0.28 0.09 -0.46 0.00 -0.02 0.00 0.00 56.01 55.90 2k47 n LEU 71 Cb 0.51 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.93 2k47 n LEU 71 CO 0.67 -0.51 0.48 -0.76 -1.22 0.00 0.00 177.39 176.04 2k47 s LEU 72 N -5.97 6.09 0.00 2.23 2.01 -1.26 -4.94 118.68 116.83 2k47 s LEU 72 Ca -0.05 -2.18 0.24 0.00 0.01 0.00 0.00 54.13 52.15 2k47 s LEU 72 Cb 0.01 -2.26 0.24 0.00 0.01 0.00 0.00 46.19 44.18 2k47 s LEU 72 CO 0.08 -0.82 1.29 -0.62 1.01 0.00 0.00 176.35 177.29