#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 4.59 0.23 6.43 1.11 -1.26 -4.78 116.67 122.98 2k47 s ASP 2 Ca 0.00 -0.93 0.02 0.00 0.18 0.00 0.00 52.55 51.82 2k47 s ASP 2 Cb 0.00 -0.57 0.23 0.00 1.07 0.00 0.00 42.92 43.65 2k47 s ASP 2 CO 0.00 -0.48 1.56 1.62 1.18 0.00 0.00 175.17 179.05 2k47 h VAL 3 N 1.42 1.35 0.02 -1.27 3.04 -0.11 -2.49 116.25 118.20 2k47 h VAL 3 Ca -0.43 -1.85 -0.24 0.00 -1.01 0.00 0.00 66.70 63.17 2k47 h VAL 3 Cb 1.25 1.87 0.01 0.00 -2.01 0.00 0.00 31.29 32.42 2k47 h VAL 3 CO 0.66 0.56 -1.01 -0.25 -1.01 0.00 0.00 177.57 176.52 2k47 h TRP 4 N 0.27 0.70 -0.06 3.17 2.91 -1.96 -3.28 115.95 117.70 2k47 h TRP 4 Ca 0.00 -0.40 -0.00 0.00 1.13 0.00 0.00 58.89 59.62 2k47 h TRP 4 Cb 1.06 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 2k47 h TRP 4 CO 0.03 1.23 0.03 0.77 -1.03 0.00 0.00 178.44 179.46 2k47 h SER 5 N 0.25 0.09 -3.21 2.65 0.02 -1.91 -3.31 113.55 108.12 2k47 h SER 5 Ca -0.10 -0.14 -0.78 0.00 -0.84 0.00 0.00 61.79 59.92 2k47 h SER 5 Cb 1.65 -0.02 -0.25 0.00 0.14 0.00 0.00 62.40 63.92 2k47 h SER 5 CO 0.18 0.21 0.67 -0.76 -1.14 0.00 0.00 176.83 175.99 2k47 s LEU 6 N -9.90 6.02 0.00 5.07 1.43 -0.94 -4.69 118.68 115.67 2k47 s LEU 6 Ca -0.14 -3.42 0.00 0.00 -1.03 0.00 0.00 54.13 49.54 2k47 s LEU 6 Cb 0.06 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2k47 s LEU 6 CO 0.68 -0.41 0.58 -1.54 0.23 0.00 0.00 176.35 175.89 2k47 n SER 7 N 3.48 1.18 0.02 2.29 3.41 -1.25 -4.67 113.62 118.08 2k47 n SER 7 Ca 0.27 -1.16 0.02 0.00 -0.26 0.00 0.00 58.87 57.74 2k47 n SER 7 Cb 0.40 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2k47 n SER 7 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k47 n LYS 8 N -0.06 0.63 -2.12 4.33 4.76 -1.26 -0.81 118.16 123.63 2k47 n LYS 8 Ca 0.00 0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.15 2k47 n LYS 8 Cb 0.04 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.48 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 -3.03 3.50 0.85 -0.18 -4.23 -1.26 -4.75 115.64 106.54 2k47 s THR 9 Ca -0.04 0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2k47 s THR 9 Cb 0.09 -3.99 0.14 0.00 1.34 0.00 0.00 72.50 70.08 2k47 s THR 9 CO 0.83 -0.84 1.19 -0.44 -0.54 0.00 0.00 174.62 174.82 2k47 s SER 10 N 6.59 3.90 0.02 3.99 0.01 -1.26 -4.69 113.70 122.26 2k47 s SER 10 Ca 0.67 0.31 0.02 0.00 1.31 0.00 0.00 55.95 58.26 2k47 s SER 10 Cb -0.15 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 2k47 s SER 10 CO 0.25 -2.22 -0.07 -0.32 0.41 0.00 0.00 173.24 171.29 2k47 s MET 11 N -5.59 0.52 -0.16 12.44 1.75 -1.22 -4.93 119.30 122.11 2k47 s MET 11 Ca 0.68 -0.50 -0.22 0.00 -1.25 0.00 0.00 55.69 54.40 2k47 s MET 11 Cb -0.07 -0.40 -0.03 0.00 2.84 0.00 0.00 34.83 37.17 2k47 s MET 11 CO 0.49 0.09 0.67 0.99 -0.65 0.00 0.00 175.02 176.62 2k47 s THR 12 N -0.76 5.01 -0.01 10.11 2.01 -1.26 -3.62 115.64 127.12 2k47 s THR 12 Ca -0.04 1.31 -0.13 0.00 0.31 0.00 0.00 61.69 63.14 2k47 s THR 12 Cb -0.06 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2k47 s THR 12 CO 0.00 0.14 0.36 -0.36 -0.69 0.00 0.00 174.62 174.08 2k47 s PHE 13 N 1.60 3.69 -0.29 4.92 0.40 0.14 -4.93 117.98 123.51 2k47 s PHE 13 Ca 0.32 0.89 0.01 0.00 -0.60 0.00 0.00 56.93 57.55 2k47 s PHE 13 Cb -0.16 -2.21 0.06 0.00 0.51 0.00 0.00 43.02 41.22 2k47 s PHE 13 CO 0.12 0.64 -0.03 -1.14 0.70 0.00 0.00 175.22 175.52 2k47 s GLN 14 N -1.20 2.23 0.63 0.44 0.74 -1.26 -3.14 119.66 118.10 2k47 s GLN 14 Ca 0.24 -1.39 -0.19 0.00 0.05 0.00 0.00 55.36 54.07 2k47 s GLN 14 Cb -0.16 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 2k47 s GLN 14 CO 0.13 -0.66 1.24 -2.30 -0.55 0.00 0.00 175.29 173.15 2k47 n PRO 15 N 4.50 1.15 0.09 1.67 -0.02 -1.26 -1.79 135.00 139.33 2k47 n PRO 15 Ca -0.11 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 2k47 n PRO 15 Cb 0.43 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 2k47 n PRO 15 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k47 h LYS 16 N 0.64 0.64 -5.66 -0.52 1.79 -1.39 -3.46 116.57 108.60 2k47 h LYS 16 Ca -0.50 -0.83 -0.62 0.00 -2.18 0.00 0.00 60.65 56.51 2k47 h LYS 16 Cb 1.34 0.27 -0.12 0.00 -1.58 0.00 0.00 32.23 32.14 2k47 h LYS 16 CO 0.53 1.38 -0.57 -1.59 -1.08 0.00 0.00 179.45 178.12 2k47 s LYS 17 N -3.02 2.04 0.29 3.15 0.00 -1.26 -5.05 119.74 115.89 2k47 s LYS 17 Ca -0.09 -2.09 0.03 0.00 0.00 0.00 0.00 55.97 53.82 2k47 s LYS 17 Cb 0.06 -1.70 0.46 0.00 0.00 0.00 0.00 37.83 36.65 2k47 s LYS 17 CO 0.93 -0.10 1.75 0.00 0.00 0.00 0.00 175.35 177.93 2k47 h ALA 18 N 1.65 1.16 -0.73 0.59 0.00 -2.01 -3.04 119.26 116.87 2k47 h ALA 18 Ca -0.44 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.24 2k47 h ALA 18 Cb 1.25 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2k47 h ALA 18 CO 0.78 0.53 0.39 1.03 0.00 0.00 0.00 179.25 181.98 2k47 h SER 19 N 0.42 0.54 -4.02 0.00 0.87 -2.00 -3.42 113.55 105.94 2k47 h SER 19 Ca 0.07 0.05 -0.48 0.00 -1.23 0.00 0.00 61.79 60.20 2k47 h SER 19 Cb 0.61 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2k47 h SER 19 CO 0.04 0.31 0.41 -0.76 -0.53 0.00 0.00 176.83 176.30 2k47 s LEU 20 N -10.30 3.98 -0.04 2.23 1.43 -1.15 -5.06 118.68 109.78 2k47 s LEU 20 Ca -0.13 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 2k47 s LEU 20 Cb 0.18 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 2k47 s LEU 20 CO 0.77 -0.68 -0.12 -1.10 0.23 0.00 0.00 176.35 175.45 2k47 s GLN 21 N -2.87 2.50 1.21 1.70 -1.52 -1.26 -4.78 119.66 114.63 2k47 s GLN 21 Ca 0.63 -0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 53.19 2k47 s GLN 21 Cb -0.20 -2.41 0.27 0.00 -0.22 0.00 0.00 33.01 30.45 2k47 s GLN 21 CO 0.24 0.62 0.79 -2.30 -0.25 0.00 0.00 175.29 174.39 2k47 n PRO 22 N 2.11 -2.62 -3.92 2.91 -0.02 -1.26 -4.74 135.00 127.46 2k47 n PRO 22 Ca -0.17 -0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 60.48 2k47 n PRO 22 Cb 0.52 -2.04 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 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 -6.10 1.77 -0.46 2.45 2.96 -1.19 -4.93 118.68 113.19 2k47 s LEU 23 Ca 0.66 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2k47 s LEU 23 Cb -0.22 0.65 0.18 0.00 0.50 0.00 0.00 46.19 47.29 2k47 s LEU 23 CO 0.65 -0.54 0.56 -0.89 -1.32 0.00 0.00 176.35 174.81 2k47 s THR 24 N -2.78 -0.51 0.03 3.68 2.01 -1.25 0.28 115.64 117.10 2k47 s THR 24 Ca -0.03 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.55 2k47 s THR 24 Cb -0.00 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 2k47 s THR 24 CO -0.05 -0.45 -0.04 -0.51 -0.69 0.00 0.00 174.62 172.87 2k47 s ILE 25 N 0.78 0.25 0.40 1.82 1.10 -1.24 -4.83 121.20 119.48 2k47 s ILE 25 Ca 0.28 -1.18 0.01 0.00 -0.51 0.00 0.00 60.65 59.26 2k47 s ILE 25 Cb -0.01 -0.65 0.01 0.00 0.15 0.00 0.00 42.46 41.96 2k47 s ILE 25 CO -0.09 -0.60 0.12 -0.24 -2.11 0.00 0.00 174.94 172.02 2k47 n SER 26 N 1.19 2.78 0.14 4.50 2.88 -1.26 -3.39 113.62 120.46 2k47 n SER 26 Ca -0.21 -2.60 -0.13 0.00 -1.33 0.00 0.00 58.87 54.60 2k47 n SER 26 Cb 0.56 0.15 -0.08 0.00 -0.75 0.00 0.00 64.21 64.10 2k47 n SER 26 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2k47 h LEU 27 N 0.00 -1.19 -0.89 2.46 3.38 -1.79 0.24 115.31 117.52 2k47 h LEU 27 Ca -0.30 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2k47 h LEU 27 Cb 0.97 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 2k47 h LEU 27 CO 0.49 -0.47 0.47 -0.78 0.09 0.00 0.00 178.44 178.24 2k47 h ASP 28 N -0.66 1.13 1.18 -0.43 3.58 -1.29 -1.75 116.42 118.18 2k47 h ASP 28 Ca -0.02 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2k47 h ASP 28 Cb 0.63 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2k47 h ASP 28 CO -0.16 0.92 0.00 -0.33 -2.88 0.00 0.00 179.24 176.78 2k47 h GLU 29 N 1.25 0.00 -0.17 0.28 3.07 -1.70 -3.17 114.58 114.15 2k47 h GLU 29 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 2k47 h GLU 29 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2k47 h GLU 29 CO -0.05 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.45 2k47 n LEU 30 N -2.43 3.09 -3.82 1.33 7.94 0.84 -4.83 117.00 119.13 2k47 n LEU 30 Ca 0.03 -2.79 -0.12 0.00 -1.11 0.00 0.00 56.01 52.02 2k47 n LEU 30 Cb 0.35 -0.41 -0.12 0.00 0.53 0.00 0.00 43.42 43.77 2k47 n LEU 30 CO 0.26 0.68 -0.16 -0.36 -1.11 0.00 0.00 177.39 176.70 2k47 s PHE 31 N -2.39 -0.17 -0.15 1.96 0.08 -0.73 -4.91 117.98 111.67 2k47 s PHE 31 Ca 0.32 0.42 0.20 0.00 0.12 0.00 0.00 56.93 57.99 2k47 s PHE 31 Cb 0.26 0.06 0.45 0.00 -0.57 0.00 0.00 43.02 43.22 2k47 s PHE 31 CO 0.07 -0.13 1.17 0.43 -0.10 0.00 0.00 175.22 176.66 2k47 n SER 32 N 2.77 1.81 -3.64 1.36 7.64 -1.26 -4.81 113.62 117.49 2k47 n SER 32 Ca -0.14 -2.60 -0.09 0.00 1.01 0.00 0.00 58.87 57.05 2k47 n SER 32 Cb 0.58 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.95 -0.71 0.09 6.43 0.15 -1.26 -5.04 113.70 110.42 2k47 s SER 33 Ca 0.35 1.23 -0.19 0.00 0.70 0.00 0.00 55.95 58.04 2k47 s SER 33 Cb 0.37 1.27 -0.08 0.00 -1.71 0.00 0.00 66.02 65.87 2k47 s SER 33 CO -0.09 -0.20 1.59 0.08 1.20 0.00 0.00 173.24 175.81 2k47 h ARG 34 N 5.67 0.35 -0.04 5.44 0.11 -2.01 -2.86 114.38 121.04 2k47 h ARG 34 Ca -0.29 -0.08 -0.10 0.00 0.10 0.00 0.00 59.98 59.61 2k47 h ARG 34 Cb 1.19 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2k47 h ARG 34 CO 0.12 0.46 -0.43 0.78 0.10 0.00 0.00 179.97 181.00 2k47 h GLY 35 N 0.18 0.11 0.82 0.08 0.00 -2.01 -3.00 103.07 99.25 2k47 h GLY 35 Ca 0.07 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k47 h GLY 35 CO 0.00 0.09 0.45 -2.09 0.00 0.00 0.00 176.54 174.99 2k47 h GLU 36 N 0.08 0.84 -0.88 4.80 4.81 -1.92 -1.80 114.58 120.51 2k47 h GLU 36 Ca 0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2k47 h GLU 36 Cb 0.80 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2k47 h GLU 36 CO 0.06 0.56 0.58 0.35 -0.73 0.00 0.00 179.01 179.83 2k47 h PHE 37 N 0.86 1.09 0.24 0.92 3.57 -1.36 -2.63 116.94 119.63 2k47 h PHE 37 Ca 0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2k47 h PHE 37 Cb 0.06 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2k47 h PHE 37 CO -0.04 0.66 -0.27 0.82 -2.23 0.00 0.00 178.31 177.24 2k47 h ILE 38 N 1.15 0.42 0.15 1.41 1.08 -1.34 -1.90 117.51 118.47 2k47 h ILE 38 Ca 0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.80 2k47 h ILE 38 Cb -0.07 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2k47 h ILE 38 CO -0.08 0.00 -0.16 0.28 -0.69 0.00 0.00 178.15 177.50 2k47 h SER 39 N -0.56 -0.43 -1.01 1.72 0.02 -1.25 -2.90 113.55 109.14 2k47 h SER 39 Ca -0.00 0.03 0.36 0.00 -0.84 0.00 0.00 61.79 61.34 2k47 h SER 39 Cb 0.53 0.14 -0.11 0.00 0.14 0.00 0.00 62.40 63.10 2k47 h SER 39 CO -0.08 -0.21 0.63 1.33 -1.14 0.00 0.00 176.83 177.37 2k47 n VAL 40 N -3.27 -0.22 0.00 2.27 0.24 -1.01 -4.63 118.33 111.70 2k47 n VAL 40 Ca -0.04 1.42 0.00 0.00 -2.04 0.00 0.00 64.34 63.69 2k47 n VAL 40 Cb 0.14 -2.33 0.00 0.00 -1.47 0.00 0.00 33.84 30.18 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 -1.36 0.55 3.05 7.63 0.00 -1.10 -4.88 105.19 109.09 2k47 n GLY 41 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.54 1.90 0.00 -0.02 0.00 -0.73 -4.99 107.32 102.95 2k47 s GLY 42 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 44.72 42.32 2k47 s GLY 42 CO 0.00 0.90 0.00 1.22 0.00 0.00 0.00 173.10 175.22 2k47 n ASP 43 N 4.36 0.00 0.00 1.64 9.92 -1.26 -4.40 116.55 126.81 2k47 n ASP 43 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2k47 n ASP 43 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 2.58 -1.56 3.39 0.44 0.00 -1.26 -5.01 105.19 103.76 2k47 n GLY 44 Ca 0.00 0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.95 3.33 0.60 1.61 0.52 -1.26 0.63 118.95 123.43 2k47 s ARG 45 Ca 0.00 -1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 53.48 2k47 s ARG 45 Cb 0.00 -4.49 0.01 0.00 0.52 0.00 0.00 34.95 30.99 2k47 s ARG 45 CO 0.00 -1.57 0.91 1.41 0.02 0.00 0.00 175.30 176.06 2k47 s MET 46 N 2.21 2.85 0.00 3.54 1.75 -1.26 -4.90 119.30 123.50 2k47 s MET 46 Ca 0.20 -0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 2k47 s MET 46 Cb -0.15 -2.27 0.00 0.00 2.84 0.00 0.00 34.83 35.25 2k47 s MET 46 CO -0.02 -0.74 0.00 0.43 -0.65 0.00 0.00 175.02 174.04 2k47 n SER 47 N -2.60 0.00 0.00 1.11 7.64 -1.26 -4.78 113.62 113.72 2k47 n SER 47 Ca 0.05 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2k47 n SER 47 Cb 0.58 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.25 -1.01 0.22 1.43 -0.00 -1.26 -4.94 115.22 108.41 2k47 n HIS 48 Ca 0.00 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.25 2k47 n HIS 48 Cb 0.00 0.20 0.59 0.00 -0.12 0.00 0.00 29.99 30.66 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 0.08 -0.51 1.57 1.63 -1.99 -2.42 116.57 114.93 2k47 h LYS 49 Ca 0.00 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2k47 h LYS 49 Cb 0.00 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2k47 h LYS 49 CO 0.00 0.07 0.20 0.93 -3.45 0.00 0.00 179.45 177.20 2k47 h GLU 50 N 0.08 0.77 0.61 1.90 5.08 -1.98 -2.30 114.58 118.74 2k47 h GLU 50 Ca 0.02 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2k47 h GLU 50 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2k47 h GLU 50 CO -0.00 0.69 -0.44 0.00 -1.00 0.00 0.00 179.01 178.26 2k47 h ALA 51 N 1.05 -1.07 -0.11 3.43 0.00 -1.80 -2.81 119.26 117.95 2k47 h ALA 51 Ca 0.17 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k47 h ALA 51 Cb 0.21 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k47 h ALA 51 CO -0.01 -1.13 -0.01 0.82 0.00 0.00 0.00 179.25 178.93 2k47 h ILE 52 N -1.01 0.92 -0.72 0.00 1.08 -1.59 -2.46 117.51 113.73 2k47 h ILE 52 Ca -0.07 -0.01 0.21 0.00 -0.39 0.00 0.00 64.86 64.59 2k47 h ILE 52 Cb 0.84 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 2k47 h ILE 52 CO 0.03 0.01 0.67 0.25 -0.69 0.00 0.00 178.15 178.42 2k47 h LEU 53 N 0.03 0.00 -2.54 1.44 5.85 -1.31 0.12 115.31 118.90 2k47 h LEU 53 Ca 0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2k47 h LEU 53 Cb 0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2k47 h LEU 53 CO -0.09 0.00 0.08 0.25 -0.34 0.00 0.00 178.44 178.34 2k47 h LEU 54 N 0.00 0.00 -0.71 2.25 5.85 -1.18 -2.61 115.31 118.92 2k47 h LEU 54 Ca 0.34 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.16 2k47 h LEU 54 Cb 1.67 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.63 2k47 h LEU 54 CO -0.00 0.00 0.34 1.23 -0.34 0.00 0.00 178.44 179.66 2k47 h GLY 55 N 0.00 1.07 -0.27 3.75 0.00 -0.94 -2.03 103.07 104.65 2k47 h GLY 55 Ca 0.02 -0.20 0.23 0.00 0.00 0.00 0.00 47.33 47.38 2k47 h GLY 55 CO -0.00 0.03 0.39 1.41 0.00 0.00 0.00 176.54 178.37 2k47 h LEU 56 N 0.56 0.31 -1.23 3.11 3.38 -1.69 0.29 115.31 120.05 2k47 h LEU 56 Ca 0.36 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.45 2k47 h LEU 56 Cb 0.42 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k47 h LEU 56 CO -0.29 -0.04 0.08 0.03 0.09 0.00 0.00 178.44 178.31 2k47 h ARG 57 N 0.37 0.61 -0.09 1.13 2.47 -1.56 0.27 114.38 117.58 2k47 h ARG 57 Ca 0.58 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.18 2k47 h ARG 57 Cb 1.13 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 2k47 h ARG 57 CO -0.55 0.57 0.03 -0.92 0.56 0.00 0.00 179.97 179.66 2k47 h TYR 58 N 0.59 0.14 -0.00 3.04 3.20 -0.42 -2.89 116.97 120.63 2k47 h TYR 58 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2k47 h TYR 58 Cb 0.26 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2k47 h TYR 58 CO 0.01 0.28 -0.03 1.63 -1.64 0.00 0.00 178.16 178.41 2k47 n LYS 59 N -4.91 0.04 -2.70 1.82 4.76 -0.82 -4.97 118.16 111.38 2k47 n LYS 59 Ca -0.06 -0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.36 2k47 n LYS 59 Cb 0.13 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.48 -1.12 -0.81 1.97 4.76 0.83 -4.99 118.16 117.32 2k47 n LYS 60 Ca 0.08 1.14 -0.04 0.00 -2.87 0.00 0.00 58.31 56.61 2k47 n LYS 60 Cb 0.33 -4.72 -0.04 0.00 -1.84 0.00 0.00 35.03 28.76 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 -1.81 -0.64 0.29 -0.35 -0.00 -0.53 -4.97 117.00 108.98 2k47 n LEU 61 Ca -0.01 -1.31 0.17 0.00 -0.00 0.00 0.00 56.01 54.86 2k47 n LEU 61 Cb 0.52 0.00 0.96 0.00 -0.00 0.00 0.00 43.42 44.89 2k47 n LEU 61 CO 0.41 1.16 1.14 0.22 -0.00 0.00 0.00 177.39 180.32 2k47 h TYR 62 N 0.00 0.00 0.34 1.47 5.03 -1.94 -0.02 116.97 121.85 2k47 h TYR 62 Ca -0.36 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 60.93 2k47 h TYR 62 Cb 1.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.37 2k47 h TYR 62 CO -0.13 0.00 -0.16 -0.91 -1.32 0.00 0.00 178.16 175.63 2k47 h ASN 63 N 0.00 -0.39 0.16 -2.11 4.21 -1.93 -3.32 115.58 112.19 2k47 h ASN 63 Ca 0.02 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.54 2k47 h ASN 63 Cb 0.14 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2k47 h ASN 63 CO -0.00 -0.26 -0.44 0.00 -1.29 0.00 0.00 177.43 175.44 2k47 n GLN 64 N -3.34 0.79 0.05 0.81 6.02 -1.20 -4.25 117.38 116.25 2k47 n GLN 64 Ca -0.06 -0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 56.28 2k47 n GLN 64 Cb 0.18 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 29.99 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 3.61 0.64 0.00 -1.58 0.00 -1.12 0.16 119.26 120.96 2k47 h ALA 65 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 2k47 h ALA 65 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k47 h ALA 65 CO 0.00 0.75 -0.36 -0.09 0.00 0.00 0.00 179.25 179.55 2k47 h ARG 66 N 0.29 0.00 0.07 0.00 2.43 -1.74 -2.38 114.38 113.05 2k47 h ARG 66 Ca -0.02 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.79 2k47 h ARG 66 Cb 1.25 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 2k47 h ARG 66 CO 0.12 0.36 -2.10 1.33 -1.51 0.00 0.00 179.97 178.17 2k47 n VAL 67 N -3.52 1.66 0.34 0.20 0.24 -1.17 -4.19 118.33 111.89 2k47 n VAL 67 Ca -0.00 -0.67 0.15 0.00 -2.04 0.00 0.00 64.34 61.77 2k47 n VAL 67 Cb 0.50 -1.45 0.54 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.04 0.00 -5.18 7.34 1.79 -0.73 -3.45 116.57 116.38 2k47 h LYS 68 Ca -0.45 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.66 2k47 h LYS 68 Cb 2.02 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 32.49 2k47 h LYS 68 CO 0.04 0.00 -0.74 0.71 -1.08 0.00 0.00 179.45 178.38 2k47 s TYR 69 N -3.46 1.26 -0.94 -1.35 1.51 -0.89 -0.96 117.35 112.51 2k47 s TYR 69 Ca 0.04 -0.63 -0.24 0.00 -1.01 0.00 0.00 57.07 55.22 2k47 s TYR 69 Cb 0.09 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.30 2k47 s TYR 69 CO 0.51 0.09 1.53 0.45 -1.11 0.00 0.00 175.55 177.02 2k47 s SER 70 N -2.61 6.14 0.00 2.29 0.15 -0.74 -4.65 113.70 114.27 2k47 s SER 70 Ca 0.09 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2k47 s SER 70 Cb -0.03 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2k47 s SER 70 CO 0.02 -1.83 0.00 0.18 1.20 0.00 0.00 173.24 172.81 2k47 n LEU 71 N 10.08 0.00 -4.27 3.45 4.32 -1.26 -4.58 117.00 124.73 2k47 n LEU 71 Ca 0.29 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.88 2k47 n LEU 71 Cb 0.50 -0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.18 2k47 n LEU 71 CO 0.66 -0.17 -0.13 -0.76 -1.22 0.00 0.00 177.39 175.77 2k47 s LEU 72 N -3.11 5.03 0.00 2.23 2.01 -1.26 -5.11 118.68 118.46 2k47 s LEU 72 Ca 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 54.13 52.69 2k47 s LEU 72 Cb 0.00 -1.97 0.00 0.00 0.01 0.00 0.00 46.19 44.23 2k47 s LEU 72 CO 0.00 -0.50 0.00 -1.84 1.01 0.00 0.00 176.35 175.02