#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 3.88 0.26 4.04 1.11 -1.26 -4.95 116.67 119.75 2k47 s ASP 2 Ca 0.00 -1.61 0.03 0.00 0.18 0.00 0.00 52.55 51.15 2k47 s ASP 2 Cb 0.00 0.37 0.35 0.00 1.07 0.00 0.00 42.92 44.72 2k47 s ASP 2 CO 0.00 -0.80 1.66 1.62 1.18 0.00 0.00 175.17 178.83 2k47 h VAL 3 N 1.49 1.30 0.21 -1.27 3.04 -0.82 -1.09 116.25 119.11 2k47 h VAL 3 Ca -0.43 -1.52 -0.28 0.00 -1.01 0.00 0.00 66.70 63.46 2k47 h VAL 3 Cb 1.30 1.60 0.03 0.00 -2.01 0.00 0.00 31.29 32.21 2k47 h VAL 3 CO 0.73 0.47 -1.22 -0.25 -1.01 0.00 0.00 177.57 176.28 2k47 h TRP 4 N 0.33 0.82 0.30 3.17 2.91 -1.91 -3.34 115.95 118.23 2k47 h TRP 4 Ca 0.03 -0.60 -0.01 0.00 1.13 0.00 0.00 58.89 59.44 2k47 h TRP 4 Cb 0.84 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 2k47 h TRP 4 CO 0.02 1.47 -0.15 1.03 -1.03 0.00 0.00 178.44 179.79 2k47 h SER 5 N -0.06 -0.34 -3.00 2.65 0.87 -1.93 -3.33 113.55 108.41 2k47 h SER 5 Ca -0.21 0.00 -0.75 0.00 -1.23 0.00 0.00 61.79 59.60 2k47 h SER 5 Cb 1.97 0.09 -0.22 0.00 -0.44 0.00 0.00 62.40 63.80 2k47 h SER 5 CO 0.23 -0.23 0.63 -0.76 -0.53 0.00 0.00 176.83 176.16 2k47 s LEU 6 N -10.11 5.80 -0.04 2.23 1.43 -0.42 -4.75 118.68 112.84 2k47 s LEU 6 Ca -0.15 -2.65 0.06 0.00 -1.03 0.00 0.00 54.13 50.36 2k47 s LEU 6 Cb 0.05 -2.31 0.13 0.00 0.03 0.00 0.00 46.19 44.09 2k47 s LEU 6 CO 0.64 -0.73 1.09 -1.20 0.23 0.00 0.00 176.35 176.37 2k47 n SER 7 N 4.98 2.30 -1.64 2.29 7.64 -1.25 -4.62 113.62 123.31 2k47 n SER 7 Ca 0.23 -2.28 0.04 0.00 1.01 0.00 0.00 58.87 57.88 2k47 n SER 7 Cb 0.46 -0.15 0.34 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.55 4.08 -3.89 1.43 4.76 -1.26 -0.12 118.16 122.61 2k47 n LYS 8 Ca 0.06 -3.08 -0.35 0.00 -2.87 0.00 0.00 58.31 52.07 2k47 n LYS 8 Cb 0.39 -2.14 -0.14 0.00 -1.84 0.00 0.00 35.03 31.30 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 -2.85 3.24 0.42 -0.18 -4.23 -1.26 -5.00 115.64 105.77 2k47 s THR 9 Ca 0.51 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 60.14 2k47 s THR 9 Cb 0.40 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.57 2k47 s THR 9 CO 0.13 0.12 0.57 -0.94 -0.54 0.00 0.00 174.62 173.97 2k47 s SER 10 N 1.37 5.67 0.00 3.99 1.04 -1.26 -4.20 113.70 120.31 2k47 s SER 10 Ca 0.00 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2k47 s SER 10 Cb -0.17 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.20 2k47 s SER 10 CO -0.02 -0.75 -0.05 -0.32 0.98 0.00 0.00 173.24 173.08 2k47 s MET 11 N -4.36 0.37 -0.29 4.02 1.75 -1.21 -4.95 119.30 114.64 2k47 s MET 11 Ca 0.54 -0.24 -0.20 0.00 -1.25 0.00 0.00 55.69 54.53 2k47 s MET 11 Cb -0.10 -0.32 -0.01 0.00 2.84 0.00 0.00 34.83 37.24 2k47 s MET 11 CO 0.33 0.08 0.64 0.99 -0.65 0.00 0.00 175.02 176.42 2k47 s THR 12 N -0.30 4.95 0.12 10.11 2.01 -1.26 -3.85 115.64 127.42 2k47 s THR 12 Ca -0.00 0.98 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 2k47 s THR 12 Cb -0.03 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 2k47 s THR 12 CO -0.00 -0.08 0.39 -0.36 -0.69 0.00 0.00 174.62 173.88 2k47 s PHE 13 N 2.59 3.51 -0.23 4.92 0.08 0.18 -4.96 117.98 124.08 2k47 s PHE 13 Ca 0.26 0.66 0.01 0.00 0.12 0.00 0.00 56.93 57.98 2k47 s PHE 13 Cb -0.15 -2.07 0.04 0.00 -0.57 0.00 0.00 43.02 40.26 2k47 s PHE 13 CO 0.11 0.46 -0.13 -1.14 -0.10 0.00 0.00 175.22 174.41 2k47 s GLN 14 N -2.37 2.69 0.62 0.44 0.74 -1.26 -2.98 119.66 117.53 2k47 s GLN 14 Ca 0.38 -1.05 -0.19 0.00 0.05 0.00 0.00 55.36 54.55 2k47 s GLN 14 Cb -0.13 -2.79 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 2k47 s GLN 14 CO 0.22 -0.38 1.26 -2.30 -0.55 0.00 0.00 175.29 173.53 2k47 n PRO 15 N 4.57 1.22 -0.00 1.67 -0.02 -1.26 -1.58 135.00 139.59 2k47 n PRO 15 Ca -0.17 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 2k47 n PRO 15 Cb 0.46 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.74 0.62 -6.23 -0.52 1.79 -1.77 -3.45 116.57 107.76 2k47 h LYS 16 Ca -0.51 -0.45 -0.59 0.00 -2.18 0.00 0.00 60.65 56.93 2k47 h LYS 16 Cb 1.34 0.08 -0.12 0.00 -1.58 0.00 0.00 32.23 31.94 2k47 h LYS 16 CO 0.54 1.07 -0.71 -1.59 -1.08 0.00 0.00 179.45 177.68 2k47 s LYS 17 N -3.85 1.97 0.41 3.15 0.00 -1.26 -5.04 119.74 115.12 2k47 s LYS 17 Ca -0.08 -1.58 0.12 0.00 0.00 0.00 0.00 55.97 54.43 2k47 s LYS 17 Cb 0.10 -1.97 0.87 0.00 0.00 0.00 0.00 37.83 36.83 2k47 s LYS 17 CO 0.86 0.35 1.94 0.00 0.00 0.00 0.00 175.35 178.50 2k47 h ALA 18 N 2.15 1.58 -0.78 0.59 0.00 -2.01 -2.90 119.26 117.88 2k47 h ALA 18 Ca -0.42 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.35 2k47 h ALA 18 Cb 1.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2k47 h ALA 18 CO 0.60 0.31 0.46 1.03 0.00 0.00 0.00 179.25 181.65 2k47 h SER 19 N 0.10 0.69 -4.27 0.00 0.87 -1.98 -3.43 113.55 105.54 2k47 h SER 19 Ca 0.02 0.03 -0.50 0.00 -1.23 0.00 0.00 61.79 60.11 2k47 h SER 19 Cb 0.38 -0.11 0.12 0.00 -0.44 0.00 0.00 62.40 62.36 2k47 h SER 19 CO 0.03 0.43 0.32 -0.76 -0.53 0.00 0.00 176.83 176.32 2k47 s LEU 20 N -10.24 2.82 -0.08 2.23 1.43 -1.10 -5.07 118.68 108.68 2k47 s LEU 20 Ca -0.13 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.63 2k47 s LEU 20 Cb 0.18 -4.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 2k47 s LEU 20 CO 0.78 -2.00 -0.23 -1.10 0.23 0.00 0.00 176.35 174.02 2k47 s GLN 21 N -4.99 2.79 0.73 1.70 1.11 -1.26 -4.87 119.66 114.87 2k47 s GLN 21 Ca 0.61 -0.87 -0.16 0.00 0.01 0.00 0.00 55.36 54.95 2k47 s GLN 21 Cb -0.16 -2.26 -0.03 0.00 -1.01 0.00 0.00 33.01 29.55 2k47 s GLN 21 CO 0.56 0.31 0.60 -2.30 0.01 0.00 0.00 175.29 174.47 2k47 n PRO 22 N 3.17 0.31 -5.21 2.91 -0.02 -1.26 -4.79 135.00 130.11 2k47 n PRO 22 Ca -0.18 0.15 -0.30 0.00 -2.02 0.00 0.00 63.50 61.14 2k47 n PRO 22 Cb 0.52 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.76 2.05 -0.39 2.45 0.20 -1.16 -4.95 118.68 116.12 2k47 s LEU 23 Ca 0.66 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 55.04 2k47 s LEU 23 Cb -0.34 -1.30 0.16 0.00 -0.43 0.00 0.00 46.19 44.27 2k47 s LEU 23 CO 0.57 0.25 0.35 -0.89 -0.29 0.00 0.00 176.35 176.34 2k47 s THR 24 N -0.26 -0.07 0.07 3.68 2.01 -1.26 0.52 115.64 120.34 2k47 s THR 24 Ca -0.00 -1.65 0.01 0.00 0.31 0.00 0.00 61.69 60.35 2k47 s THR 24 Cb -0.12 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2k47 s THR 24 CO 0.02 -0.83 -0.05 -0.51 -0.69 0.00 0.00 174.62 172.55 2k47 s ILE 25 N 0.90 0.51 0.46 1.82 1.10 -1.25 -4.88 121.20 119.85 2k47 s ILE 25 Ca 0.23 -1.76 0.07 0.00 -0.51 0.00 0.00 60.65 58.67 2k47 s ILE 25 Cb -0.11 -1.46 -0.01 0.00 0.15 0.00 0.00 42.46 41.03 2k47 s ILE 25 CO -0.06 -0.84 0.29 -0.55 -2.11 0.00 0.00 174.94 171.67 2k47 s SER 26 N -2.78 4.64 0.06 4.50 0.15 -1.26 -3.30 113.70 115.71 2k47 s SER 26 Ca 0.07 -1.06 -0.26 0.00 0.70 0.00 0.00 55.95 55.39 2k47 s SER 26 Cb 0.04 -0.19 -0.12 0.00 -1.71 0.00 0.00 66.02 64.03 2k47 s SER 26 CO -0.06 -0.76 1.41 -0.07 1.20 0.00 0.00 173.24 174.97 2k47 h LEU 27 N 1.11 -1.05 -1.34 3.45 3.38 -1.71 -0.36 115.31 118.79 2k47 h LEU 27 Ca -0.41 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2k47 h LEU 27 Cb 1.27 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 2k47 h LEU 27 CO 0.63 -0.48 0.07 -0.78 0.09 0.00 0.00 178.44 177.97 2k47 h ASP 28 N -0.72 0.47 0.42 -0.43 1.82 -0.84 -1.50 116.42 115.64 2k47 h ASP 28 Ca -0.04 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 2k47 h ASP 28 Cb 0.63 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2k47 h ASP 28 CO -0.07 0.49 0.00 -0.62 -1.61 0.00 0.00 179.24 177.43 2k47 n GLU 29 N -4.33 0.47 -0.02 0.28 4.71 -1.09 -3.51 120.64 117.14 2k47 n GLU 29 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2k47 n GLU 29 Cb 0.19 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 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 -1.24 1.03 -4.02 -4.62 7.94 -0.16 -4.76 117.00 111.17 2k47 n LEU 30 Ca 0.14 -1.08 -0.19 0.00 -1.11 0.00 0.00 56.01 53.77 2k47 n LEU 30 Cb 0.19 -0.01 -0.15 0.00 0.53 0.00 0.00 43.42 43.98 2k47 n LEU 30 CO 0.20 0.27 -0.43 -0.36 -1.11 0.00 0.00 177.39 175.95 2k47 s PHE 31 N -0.56 0.83 -0.14 1.96 0.08 -0.68 -4.92 117.98 114.55 2k47 s PHE 31 Ca 0.01 -0.17 0.19 0.00 0.12 0.00 0.00 56.93 57.09 2k47 s PHE 31 Cb 0.01 -0.55 0.45 0.00 -0.57 0.00 0.00 43.02 42.36 2k47 s PHE 31 CO 0.00 -0.03 1.17 0.43 -0.10 0.00 0.00 175.22 176.69 2k47 n SER 32 N 2.94 1.74 -3.64 1.36 7.64 -1.26 -4.84 113.62 117.56 2k47 n SER 32 Ca -0.14 -2.68 -0.07 0.00 1.01 0.00 0.00 58.87 56.99 2k47 n SER 32 Cb 0.56 -0.40 -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 -2.86 -0.66 0.07 6.43 0.15 -1.26 -5.04 113.70 110.53 2k47 s SER 33 Ca 0.36 1.13 -0.27 0.00 0.70 0.00 0.00 55.95 57.87 2k47 s SER 33 Cb 0.37 1.22 -0.17 0.00 -1.71 0.00 0.00 66.02 65.74 2k47 s SER 33 CO -0.09 -0.18 1.60 -0.09 1.20 0.00 0.00 173.24 175.67 2k47 h ARG 34 N 5.74 -0.35 -0.43 5.44 1.12 -2.00 -2.39 114.38 121.50 2k47 h ARG 34 Ca -0.29 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.58 2k47 h ARG 34 Cb 1.19 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.21 2k47 h ARG 34 CO 0.14 -0.18 0.16 0.78 -3.11 0.00 0.00 179.97 177.76 2k47 h GLY 35 N -0.44 0.66 0.95 2.80 0.00 -2.01 -2.29 103.07 102.75 2k47 h GLY 35 Ca -0.04 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2k47 h GLY 35 CO 0.06 0.31 0.60 -2.09 0.00 0.00 0.00 176.54 175.42 2k47 h GLU 36 N 0.62 1.17 -0.84 4.80 4.57 -1.92 -1.76 114.58 121.21 2k47 h GLU 36 Ca 0.15 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2k47 h GLU 36 Cb 0.15 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 28.41 2k47 h GLU 36 CO -0.01 0.77 0.52 0.35 -1.18 0.00 0.00 179.01 179.45 2k47 h PHE 37 N 1.20 0.95 0.11 0.92 3.04 -0.89 -1.85 116.94 120.42 2k47 h PHE 37 Ca 0.35 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.34 2k47 h PHE 37 Cb -0.08 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.11 2k47 h PHE 37 CO -0.01 0.48 -0.18 0.82 -2.02 0.00 0.00 178.31 177.40 2k47 h ILE 38 N 0.94 0.60 0.21 1.41 1.08 -1.23 -2.16 117.51 118.35 2k47 h ILE 38 Ca 0.37 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.83 2k47 h ILE 38 Cb 0.19 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 2k47 h ILE 38 CO -0.18 0.00 -0.16 0.28 -0.69 0.00 0.00 178.15 177.40 2k47 h SER 39 N -0.35 -0.43 -0.98 1.72 0.02 -1.07 -2.95 113.55 109.52 2k47 h SER 39 Ca 0.02 0.03 0.34 0.00 -0.84 0.00 0.00 61.79 61.34 2k47 h SER 39 Cb 0.36 0.13 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 2k47 h SER 39 CO -0.09 -0.23 0.62 1.33 -1.14 0.00 0.00 176.83 177.32 2k47 n VAL 40 N -3.27 -0.19 0.00 2.27 0.24 -0.74 -4.61 118.33 112.03 2k47 n VAL 40 Ca -0.04 1.31 0.00 0.00 -2.04 0.00 0.00 64.34 63.57 2k47 n VAL 40 Cb 0.16 -2.15 0.00 0.00 -1.47 0.00 0.00 33.84 30.38 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 0.56 2.98 7.63 0.00 -1.12 -4.51 105.19 109.37 2k47 n GLY 41 Ca 0.29 0.00 -0.31 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 -0.84 2.04 0.00 -0.02 0.00 -0.82 -4.88 107.32 102.79 2k47 s GLY 42 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 44.72 42.01 2k47 s GLY 42 CO 0.00 1.00 0.00 1.22 0.00 0.00 0.00 173.10 175.32 2k47 n ASP 43 N 3.94 0.00 0.01 1.64 9.92 -1.26 -4.34 116.55 126.46 2k47 n ASP 43 Ca 0.04 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2k47 n ASP 43 Cb 0.39 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 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 2.30 -1.80 3.50 0.44 0.00 -1.26 -4.90 105.19 103.47 2k47 n GLY 44 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.05 3.20 0.46 1.61 3.00 -1.26 -0.15 118.95 124.75 2k47 s ARG 45 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 55.73 55.12 2k47 s ARG 45 Cb 0.00 -4.31 0.01 0.00 0.00 0.00 0.00 34.95 30.65 2k47 s ARG 45 CO 0.00 -1.99 0.66 1.41 0.00 0.00 0.00 175.30 175.38 2k47 s MET 46 N 4.82 2.93 0.00 3.54 1.75 -1.26 -4.98 119.30 126.10 2k47 s MET 46 Ca 0.30 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 54.07 2k47 s MET 46 Cb -0.11 -2.59 0.00 0.00 2.84 0.00 0.00 34.83 34.97 2k47 s MET 46 CO 0.10 -0.33 0.00 0.45 -0.65 0.00 0.00 175.02 174.59 2k47 n SER 47 N -2.07 0.00 0.00 1.11 2.88 -1.26 -4.95 113.62 109.33 2k47 n SER 47 Ca 0.03 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2k47 n SER 47 Cb 0.58 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.20 0.00 0.15 0.66 -0.00 -1.26 -4.93 115.22 107.64 2k47 n HIS 48 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 2k47 n HIS 48 Cb 0.00 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.08 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 0.33 1.57 1.79 -2.01 -3.30 116.57 114.96 2k47 h LYS 49 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2k47 h LYS 49 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k47 h LYS 49 CO 0.00 0.54 -0.16 0.93 -1.08 0.00 0.00 179.45 179.68 2k47 h GLU 50 N 0.00 -0.43 -0.43 3.15 4.39 -1.98 -2.87 114.58 116.40 2k47 h GLU 50 Ca -0.01 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2k47 h GLU 50 Cb 1.06 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.72 2k47 h GLU 50 CO 0.07 -0.16 -0.49 0.00 -1.16 0.00 0.00 179.01 177.28 2k47 h ALA 51 N -0.08 -0.58 -0.50 3.43 0.00 -1.90 -1.23 119.26 118.40 2k47 h ALA 51 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k47 h ALA 51 Cb 0.47 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2k47 h ALA 51 CO 0.07 -0.95 0.25 0.82 0.00 0.00 0.00 179.25 179.44 2k47 h ILE 52 N -0.35 0.95 -0.82 0.00 1.08 -1.68 -2.38 117.51 114.32 2k47 h ILE 52 Ca 0.12 -0.17 0.24 0.00 -0.39 0.00 0.00 64.86 64.66 2k47 h ILE 52 Cb 0.59 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 2k47 h ILE 52 CO -0.60 0.09 0.61 0.25 -0.69 0.00 0.00 178.15 177.81 2k47 h LEU 53 N 0.48 0.00 -1.38 1.44 5.85 -0.99 -0.95 115.31 119.75 2k47 h LEU 53 Ca 0.22 0.00 0.28 0.00 0.84 0.00 0.00 57.88 59.22 2k47 h LEU 53 Cb 0.13 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 2k47 h LEU 53 CO -0.16 0.00 0.69 -0.07 -0.34 0.00 0.00 178.44 178.56 2k47 h LEU 54 N 0.00 0.41 -0.72 2.25 4.07 -1.12 -2.18 115.31 118.02 2k47 h LEU 54 Ca 0.39 0.09 0.16 0.00 0.08 0.00 0.00 57.88 58.59 2k47 h LEU 54 Cb 1.61 0.02 -0.12 0.00 1.08 0.00 0.00 40.66 43.25 2k47 h LEU 54 CO -0.00 0.05 0.04 1.23 -1.08 0.00 0.00 178.44 178.68 2k47 h GLY 55 N 0.35 0.84 -0.31 0.83 0.00 -1.36 -2.06 103.07 101.36 2k47 h GLY 55 Ca 0.62 0.08 0.12 0.00 0.00 0.00 0.00 47.33 48.14 2k47 h GLY 55 CO -0.30 -0.25 -0.23 1.41 0.00 0.00 0.00 176.54 177.16 2k47 h LEU 56 N 0.14 -0.81 -1.54 3.11 3.38 -1.62 0.20 115.31 118.17 2k47 h LEU 56 Ca 0.39 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.53 2k47 h LEU 56 Cb 0.68 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2k47 h LEU 56 CO -0.60 -0.25 -0.09 0.03 0.09 0.00 0.00 178.44 177.61 2k47 h ARG 57 N -0.08 0.18 -0.02 1.13 3.08 -1.55 0.16 114.38 117.28 2k47 h ARG 57 Ca 0.27 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k47 h ARG 57 Cb 0.50 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2k47 h ARG 57 CO -0.65 0.29 -0.00 -0.92 -1.07 0.00 0.00 179.97 177.61 2k47 h TYR 58 N 0.18 0.04 0.00 3.04 5.03 -0.50 -2.93 116.97 121.81 2k47 h TYR 58 Ca 0.04 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2k47 h TYR 58 Cb 0.28 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2k47 h TYR 58 CO 0.00 0.38 0.00 1.63 -1.32 0.00 0.00 178.16 178.86 2k47 n LYS 59 N -4.89 0.09 -2.41 1.82 4.76 0.21 -4.93 118.16 112.80 2k47 n LYS 59 Ca -0.08 0.25 -0.05 0.00 -2.87 0.00 0.00 58.31 55.56 2k47 n LYS 59 Cb 0.20 -1.65 0.02 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.81 -1.02 -0.97 1.97 4.76 0.44 -4.99 118.16 116.54 2k47 n LYS 60 Ca 0.04 0.71 -0.04 0.00 -2.87 0.00 0.00 58.31 56.15 2k47 n LYS 60 Cb 0.25 -3.85 -0.03 0.00 -1.84 0.00 0.00 35.03 29.56 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 -2.02 -0.66 0.13 -0.35 -0.00 -0.45 -4.97 117.00 108.67 2k47 n LEU 61 Ca -0.02 -1.39 0.10 0.00 -0.00 0.00 0.00 56.01 54.71 2k47 n LEU 61 Cb 0.54 0.05 0.48 0.00 -0.00 0.00 0.00 43.42 44.49 2k47 n LEU 61 CO 0.31 1.17 0.81 0.00 -0.00 0.00 0.00 177.39 179.68 2k47 n TYR 62 N -0.11 0.67 0.18 1.47 9.36 -1.23 -1.40 117.16 126.11 2k47 n TYR 62 Ca -0.17 0.30 -0.08 0.00 3.32 0.00 0.00 57.90 61.27 2k47 n TYR 62 Cb 0.56 -0.98 -0.04 0.00 -0.63 0.00 0.00 39.34 38.25 2k47 n TYR 62 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2k47 h ASN 63 N 0.00 -0.44 0.34 2.98 2.35 -1.93 -3.35 115.58 115.53 2k47 h ASN 63 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2k47 h ASN 63 Cb 0.19 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2k47 h ASN 63 CO 0.00 -0.10 -1.06 0.00 -1.65 0.00 0.00 177.43 174.61 2k47 n GLN 64 N -4.59 0.26 -0.02 0.81 6.02 -1.22 -4.20 117.38 114.44 2k47 n GLN 64 Ca -0.06 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.85 2k47 n GLN 64 Cb 0.21 -1.57 0.13 0.00 1.02 0.00 0.00 30.24 30.03 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 2.59 0.94 0.00 -1.58 0.00 -1.41 0.34 119.26 120.13 2k47 h ALA 65 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 2k47 h ALA 65 Cb 0.70 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2k47 h ALA 65 CO 0.00 0.61 -0.72 -0.09 0.00 0.00 0.00 179.25 179.05 2k47 h ARG 66 N 0.50 0.00 0.07 0.00 2.43 -1.75 -2.94 114.38 112.69 2k47 h ARG 66 Ca 0.06 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.00 2k47 h ARG 66 Cb 0.79 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2k47 h ARG 66 CO 0.06 0.72 -1.21 0.28 -1.51 0.00 0.00 179.97 178.31 2k47 h VAL 67 N 0.00 1.09 -0.08 0.20 2.07 -1.69 -3.35 116.25 114.48 2k47 h VAL 67 Ca -0.01 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 2k47 h VAL 67 Cb 1.50 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 2k47 h VAL 67 CO 0.09 0.60 -0.15 0.11 0.02 0.00 0.00 177.57 178.25 2k47 h LYS 68 N -0.55 0.13 -6.24 1.57 1.57 -0.45 -3.44 116.57 109.15 2k47 h LYS 68 Ca -0.28 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 57.90 2k47 h LYS 68 Cb 1.56 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.74 2k47 h LYS 68 CO -0.02 0.28 -0.67 0.71 -0.57 0.00 0.00 179.45 179.19 2k47 s TYR 69 N -4.70 2.64 -0.99 -1.35 1.51 -1.11 -2.14 117.35 111.20 2k47 s TYR 69 Ca -0.05 -0.23 -0.23 0.00 -1.01 0.00 0.00 57.07 55.54 2k47 s TYR 69 Cb 0.16 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2k47 s TYR 69 CO 0.72 0.62 1.58 -1.12 -1.11 0.00 0.00 175.55 176.23 2k47 s SER 70 N -3.52 6.17 0.00 2.29 0.01 -0.62 -4.68 113.70 113.34 2k47 s SER 70 Ca 0.30 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2k47 s SER 70 Cb -0.07 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2k47 s SER 70 CO 0.19 -1.81 0.00 0.18 0.41 0.00 0.00 173.24 172.20 2k47 n LEU 71 N 10.14 0.00 -3.63 2.44 4.32 -1.26 -4.46 117.00 124.56 2k47 n LEU 71 Ca 0.35 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 56.06 2k47 n LEU 71 Cb 0.50 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.18 2k47 n LEU 71 CO 0.65 0.00 -0.22 -0.76 -1.22 0.00 0.00 177.39 175.84 2k47 s LEU 72 N -1.15 2.73 0.00 2.23 2.01 -1.26 -5.14 118.68 118.10 2k47 s LEU 72 Ca 0.00 -3.15 0.06 0.00 0.01 0.00 0.00 54.13 51.05 2k47 s LEU 72 Cb 0.00 -0.94 0.05 0.00 0.01 0.00 0.00 46.19 45.30 2k47 s LEU 72 CO 0.00 -0.18 0.68 -0.62 1.01 0.00 0.00 176.35 177.25