#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 -0.19 0.27 6.43 1.01 -1.26 -4.91 116.67 118.02 2k47 s ASP 2 Ca 0.00 -0.70 -0.00 0.00 0.71 0.00 0.00 52.55 52.55 2k47 s ASP 2 Cb 0.00 0.63 0.38 0.00 1.01 0.00 0.00 42.92 44.94 2k47 s ASP 2 CO 0.00 -1.18 1.77 1.62 0.21 0.00 0.00 175.17 177.58 2k47 h VAL 3 N 2.16 1.24 0.15 -1.27 3.04 0.03 0.90 116.25 122.50 2k47 h VAL 3 Ca -0.24 -1.02 -0.26 0.00 -1.01 0.00 0.00 66.70 64.16 2k47 h VAL 3 Cb 1.25 0.98 0.01 0.00 -2.01 0.00 0.00 31.29 31.52 2k47 h VAL 3 CO 0.32 0.35 -1.24 -0.25 -1.01 0.00 0.00 177.57 175.74 2k47 h TRP 4 N 0.65 0.58 0.48 3.17 2.91 -1.87 -3.35 115.95 118.51 2k47 h TRP 4 Ca 0.12 -0.42 -0.02 0.00 1.13 0.00 0.00 58.89 59.70 2k47 h TRP 4 Cb 0.48 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 2k47 h TRP 4 CO 0.02 1.48 -0.23 1.03 -1.03 0.00 0.00 178.44 179.71 2k47 h SER 5 N -0.23 -0.55 -3.01 2.65 0.87 -1.92 -3.32 113.55 108.03 2k47 h SER 5 Ca -0.24 0.01 -0.76 0.00 -1.23 0.00 0.00 61.79 59.56 2k47 h SER 5 Cb 1.80 0.14 -0.23 0.00 -0.44 0.00 0.00 62.40 63.68 2k47 h SER 5 CO 0.13 -0.37 0.69 -0.76 -0.53 0.00 0.00 176.83 175.99 2k47 s LEU 6 N -10.05 5.83 -0.01 2.23 1.43 0.31 -4.74 118.68 113.68 2k47 s LEU 6 Ca -0.16 -2.90 0.06 0.00 -1.03 0.00 0.00 54.13 50.10 2k47 s LEU 6 Cb 0.04 -2.30 0.16 0.00 0.03 0.00 0.00 46.19 44.12 2k47 s LEU 6 CO 0.62 -0.64 1.13 -1.20 0.23 0.00 0.00 176.35 176.50 2k47 n SER 7 N 4.59 2.48 -1.90 2.29 7.64 -1.25 -4.62 113.62 122.86 2k47 n SER 7 Ca 0.25 -2.04 -0.16 0.00 1.01 0.00 0.00 58.87 57.94 2k47 n SER 7 Cb 0.44 -0.13 0.21 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 -0.04 2.38 -4.05 1.43 4.01 -1.26 0.58 118.16 121.22 2k47 n LYS 8 Ca 0.06 -3.06 -0.33 0.00 -0.51 0.00 0.00 58.31 54.47 2k47 n LYS 8 Cb 0.35 -2.09 -0.15 0.00 -0.51 0.00 0.00 35.03 32.64 2k47 n LYS 8 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2k47 s THR 9 N -3.23 2.35 0.48 -0.18 -4.23 -1.26 -5.01 115.64 104.56 2k47 s THR 9 Ca 0.53 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2k47 s THR 9 Cb 0.45 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 72.06 2k47 s THR 9 CO 0.08 0.13 0.65 -0.94 -0.54 0.00 0.00 174.62 174.01 2k47 s SER 10 N 1.20 5.46 -0.01 3.99 1.04 -1.26 -4.22 113.70 119.89 2k47 s SER 10 Ca -0.04 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.95 2k47 s SER 10 Cb -0.18 -0.49 0.01 0.00 0.10 0.00 0.00 66.02 65.46 2k47 s SER 10 CO -0.06 -0.96 -0.01 -0.32 0.98 0.00 0.00 173.24 172.87 2k47 s MET 11 N -4.49 0.17 -0.31 4.02 1.75 -1.18 -4.96 119.30 114.30 2k47 s MET 11 Ca 0.57 -0.02 -0.22 0.00 -1.25 0.00 0.00 55.69 54.77 2k47 s MET 11 Cb -0.09 -0.22 -0.00 0.00 2.84 0.00 0.00 34.83 37.36 2k47 s MET 11 CO 0.35 -0.01 0.73 0.99 -0.65 0.00 0.00 175.02 176.44 2k47 s THR 12 N 0.24 4.84 0.03 10.11 2.01 -1.26 -3.75 115.64 127.87 2k47 s THR 12 Ca -0.02 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 2k47 s THR 12 Cb -0.04 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2k47 s THR 12 CO -0.01 -0.23 0.25 -0.36 -0.69 0.00 0.00 174.62 173.59 2k47 s PHE 13 N 2.84 3.55 -0.18 4.92 0.08 0.14 -4.94 117.98 124.39 2k47 s PHE 13 Ca 0.30 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.82 2k47 s PHE 13 Cb -0.14 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2k47 s PHE 13 CO 0.13 0.59 -0.12 -1.14 -0.10 0.00 0.00 175.22 174.58 2k47 s GLN 14 N -2.05 2.18 0.64 0.44 0.74 -1.26 -2.26 119.66 118.09 2k47 s GLN 14 Ca 0.31 -0.75 -0.18 0.00 0.05 0.00 0.00 55.36 54.78 2k47 s GLN 14 Cb -0.13 -2.33 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 2k47 s GLN 14 CO 0.20 -0.35 1.26 -2.30 -0.55 0.00 0.00 175.29 173.54 2k47 n PRO 15 N 4.71 1.11 0.05 1.67 -0.02 -1.26 -2.68 135.00 138.58 2k47 n PRO 15 Ca -0.16 0.44 -0.03 0.00 -2.02 0.00 0.00 63.50 61.73 2k47 n PRO 15 Cb 0.48 -2.49 0.20 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.56 0.39 -6.02 -0.52 1.79 -1.90 -3.45 116.57 107.42 2k47 h LYS 16 Ca -0.51 -0.17 -0.56 0.00 -2.18 0.00 0.00 60.65 57.24 2k47 h LYS 16 Cb 1.34 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.94 2k47 h LYS 16 CO 0.53 0.68 -0.31 0.15 -1.08 0.00 0.00 179.45 179.41 2k47 s LYS 17 N -4.33 2.30 0.01 3.15 3.01 -1.26 -5.06 119.74 117.57 2k47 s LYS 17 Ca -0.06 -1.90 0.04 0.00 -1.01 0.00 0.00 55.97 53.04 2k47 s LYS 17 Cb 0.13 -2.17 -0.25 0.00 -1.01 0.00 0.00 37.83 34.53 2k47 s LYS 17 CO 0.79 -0.53 0.88 0.00 0.51 0.00 0.00 175.35 177.00 2k47 h ALA 18 N 0.80 0.45 -0.75 5.17 0.00 -2.03 -3.35 119.26 119.55 2k47 h ALA 18 Ca -0.37 -1.18 0.06 0.00 0.00 0.00 0.00 54.91 53.42 2k47 h ALA 18 Cb 1.29 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 2k47 h ALA 18 CO 0.57 1.31 0.44 0.66 0.00 0.00 0.00 179.25 182.22 2k47 h SER 19 N 0.03 0.67 -4.15 0.00 4.64 -1.98 -3.43 113.55 109.33 2k47 h SER 19 Ca -0.21 0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.65 2k47 h SER 19 Cb 1.96 -0.11 0.14 0.00 -0.31 0.00 0.00 62.40 64.08 2k47 h SER 19 CO 0.13 0.42 0.27 -0.76 -0.87 0.00 0.00 176.83 176.02 2k47 s LEU 20 N -10.24 2.48 0.01 5.97 1.43 -1.26 -5.07 118.68 112.01 2k47 s LEU 20 Ca -0.13 1.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 2k47 s LEU 20 Cb 0.17 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2k47 s LEU 20 CO 0.77 -2.47 -0.26 -1.10 0.23 0.00 0.00 176.35 173.53 2k47 s GLN 21 N -4.93 1.95 0.71 1.70 -0.21 -1.26 -4.86 119.66 112.76 2k47 s GLN 21 Ca 0.63 -1.00 -0.16 0.00 0.02 0.00 0.00 55.36 54.84 2k47 s GLN 21 Cb -0.18 -1.99 0.03 0.00 1.00 0.00 0.00 33.01 31.87 2k47 s GLN 21 CO 0.57 0.53 1.27 -1.25 -2.12 0.00 0.00 175.29 174.28 2k47 s PRO 22 N -0.89 2.18 -0.16 2.91 0.04 -1.26 -4.67 135.00 133.15 2k47 s PRO 22 Ca 0.11 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2k47 s PRO 22 Cb -0.10 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.64 2k47 s PRO 22 CO 0.00 -1.86 -0.19 -1.17 0.04 0.00 0.00 177.00 173.83 2k47 s LEU 23 N -4.89 2.01 -0.52 -3.56 0.20 -0.96 -4.92 118.68 106.04 2k47 s LEU 23 Ca 0.79 -0.59 0.04 0.00 0.69 0.00 0.00 54.13 55.06 2k47 s LEU 23 Cb -0.35 -1.39 0.16 0.00 -0.43 0.00 0.00 46.19 44.19 2k47 s LEU 23 CO 0.44 0.01 0.36 -0.89 -0.29 0.00 0.00 176.35 175.98 2k47 s THR 24 N 1.18 1.59 0.15 3.68 2.01 -1.26 0.27 115.64 123.27 2k47 s THR 24 Ca 0.01 -3.18 0.07 0.00 0.31 0.00 0.00 61.69 58.90 2k47 s THR 24 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2k47 s THR 24 CO -0.09 -1.04 -0.16 -0.51 -0.69 0.00 0.00 174.62 172.13 2k47 s ILE 25 N -0.36 1.61 0.43 1.82 1.10 -1.25 -4.84 121.20 119.71 2k47 s ILE 25 Ca 0.25 -1.89 0.07 0.00 -0.51 0.00 0.00 60.65 58.57 2k47 s ILE 25 Cb -0.09 -1.76 -0.04 0.00 0.15 0.00 0.00 42.46 40.72 2k47 s ILE 25 CO -0.12 -0.40 0.20 -0.55 -2.11 0.00 0.00 174.94 171.96 2k47 s SER 26 N -2.69 4.44 0.05 4.50 0.15 -1.26 -3.12 113.70 115.77 2k47 s SER 26 Ca 0.14 -1.12 -0.29 0.00 0.70 0.00 0.00 55.95 55.39 2k47 s SER 26 Cb -0.04 -0.35 -0.15 0.00 -1.71 0.00 0.00 66.02 63.76 2k47 s SER 26 CO 0.05 -0.61 1.43 -0.07 1.20 0.00 0.00 173.24 175.24 2k47 h LEU 27 N 1.35 -0.94 -1.64 3.45 3.38 -1.69 -1.52 115.31 117.69 2k47 h LEU 27 Ca -0.42 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2k47 h LEU 27 Cb 1.26 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2k47 h LEU 27 CO 0.69 -0.60 -0.19 -0.78 0.09 0.00 0.00 178.44 177.65 2k47 h ASP 28 N -0.97 0.00 0.04 -0.43 3.58 -0.19 -1.69 116.42 116.76 2k47 h ASP 28 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2k47 h ASP 28 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2k47 h ASP 28 CO 0.11 0.19 -0.01 1.21 -2.88 0.00 0.00 179.24 177.86 2k47 n GLU 29 N -4.27 1.10 0.00 0.28 2.13 -1.14 -3.79 120.64 114.94 2k47 n GLU 29 Ca -0.02 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.57 2k47 n GLU 29 Cb 0.25 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.47 2k47 n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2k47 n LEU 30 N -0.75 0.64 -4.02 4.31 7.94 -0.58 -4.75 117.00 119.79 2k47 n LEU 30 Ca 0.22 -0.64 -0.17 0.00 -1.11 0.00 0.00 56.01 54.31 2k47 n LEU 30 Cb 0.18 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.99 2k47 n LEU 30 CO 0.18 0.16 -0.42 -0.36 -1.11 0.00 0.00 177.39 175.84 2k47 s PHE 31 N -0.26 0.69 -0.05 1.96 0.08 -0.85 -4.99 117.98 114.56 2k47 s PHE 31 Ca 0.00 -0.21 0.21 0.00 0.12 0.00 0.00 56.93 57.05 2k47 s PHE 31 Cb 0.00 -0.43 0.40 0.00 -0.57 0.00 0.00 43.02 42.42 2k47 s PHE 31 CO 0.00 -0.02 1.17 0.43 -0.10 0.00 0.00 175.22 176.70 2k47 n SER 32 N 2.55 1.15 -3.66 1.36 7.64 -1.26 -4.84 113.62 116.56 2k47 n SER 32 Ca -0.15 -2.48 -0.13 0.00 1.01 0.00 0.00 58.87 57.11 2k47 n SER 32 Cb 0.57 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.27 -0.67 0.03 6.43 0.15 -1.26 -5.05 113.70 111.06 2k47 s SER 33 Ca 0.33 1.28 -0.27 0.00 0.70 0.00 0.00 55.95 57.99 2k47 s SER 33 Cb 0.36 1.29 -0.17 0.00 -1.71 0.00 0.00 66.02 65.80 2k47 s SER 33 CO -0.13 -0.22 1.33 0.03 1.20 0.00 0.00 173.24 175.44 2k47 h ARG 34 N 5.22 -0.59 -0.54 5.44 3.08 -2.00 -1.84 114.38 123.15 2k47 h ARG 34 Ca -0.29 0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.83 2k47 h ARG 34 Cb 1.17 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 2k47 h ARG 34 CO 0.11 -0.30 0.36 0.78 -1.07 0.00 0.00 179.97 179.85 2k47 h GLY 35 N -0.85 0.73 1.01 0.04 0.00 -2.00 -1.46 103.07 100.53 2k47 h GLY 35 Ca -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k47 h GLY 35 CO 0.10 0.23 0.47 -2.09 0.00 0.00 0.00 176.54 175.25 2k47 h GLU 36 N 0.65 1.02 -0.83 4.80 4.81 -1.95 -2.17 114.58 120.92 2k47 h GLU 36 Ca 0.21 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2k47 h GLU 36 Cb 0.05 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 2k47 h GLU 36 CO -0.05 0.71 0.53 0.35 -0.73 0.00 0.00 179.01 179.82 2k47 h PHE 37 N 1.03 1.00 0.16 0.92 3.04 -0.40 -2.04 116.94 120.66 2k47 h PHE 37 Ca 0.27 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.26 2k47 h PHE 37 Cb -0.06 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.10 2k47 h PHE 37 CO -0.01 0.58 -0.20 0.82 -2.02 0.00 0.00 178.31 177.48 2k47 h ILE 38 N 1.04 0.55 0.24 1.41 1.08 -1.00 -1.79 117.51 119.03 2k47 h ILE 38 Ca 0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.79 2k47 h ILE 38 Cb -0.00 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2k47 h ILE 38 CO -0.11 0.00 -0.14 0.28 -0.69 0.00 0.00 178.15 177.49 2k47 h SER 39 N -0.41 -0.36 -0.63 1.72 0.02 -1.18 -3.07 113.55 109.64 2k47 h SER 39 Ca 0.01 0.02 0.26 0.00 -0.84 0.00 0.00 61.79 61.24 2k47 h SER 39 Cb 0.41 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.94 2k47 h SER 39 CO -0.08 -0.22 0.33 1.33 -1.14 0.00 0.00 176.83 177.05 2k47 n VAL 40 N -3.12 -0.27 0.00 2.27 0.24 -0.79 -4.60 118.33 112.06 2k47 n VAL 40 Ca -0.04 1.29 0.00 0.00 -2.04 0.00 0.00 64.34 63.54 2k47 n VAL 40 Cb 0.15 -2.08 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 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 -1.17 0.30 3.00 7.63 0.00 -1.16 -4.40 105.19 109.39 2k47 n GLY 41 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.59 2.22 0.00 -0.02 0.00 -0.68 -4.82 107.32 103.42 2k47 s GLY 42 Ca 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 44.72 41.79 2k47 s GLY 42 CO 0.00 0.99 0.00 1.22 0.00 0.00 0.00 173.10 175.31 2k47 n ASP 43 N 3.69 0.00 0.00 1.64 8.00 -1.26 -4.32 116.55 124.30 2k47 n ASP 43 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2k47 n ASP 43 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2k47 n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k47 n GLY 44 N 2.60 -0.88 3.45 0.44 0.00 -1.26 -4.80 105.19 104.74 2k47 n GLY 44 Ca 0.00 0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 3.24 0.68 1.61 3.00 -1.26 0.72 118.95 126.56 2k47 s ARG 45 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 55.73 54.52 2k47 s ARG 45 Cb 0.00 -4.43 0.04 0.00 0.00 0.00 0.00 34.95 30.56 2k47 s ARG 45 CO 0.00 -1.78 1.00 1.41 0.00 0.00 0.00 175.30 175.93 2k47 s MET 46 N 3.56 2.46 0.00 3.54 1.75 -1.26 -4.97 119.30 124.38 2k47 s MET 46 Ca 0.24 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 2k47 s MET 46 Cb -0.14 -2.17 0.00 0.00 2.84 0.00 0.00 34.83 35.36 2k47 s MET 46 CO 0.04 -1.08 0.00 0.45 -0.65 0.00 0.00 175.02 173.78 2k47 n SER 47 N -2.86 0.00 0.00 1.11 2.88 -1.26 -4.96 113.62 108.53 2k47 n SER 47 Ca 0.07 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2k47 n SER 47 Cb 0.59 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.89 0.00 0.13 0.66 -0.00 -1.26 -4.94 115.22 107.92 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 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 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 0.35 1.57 1.79 -1.97 -3.36 116.57 114.95 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 0.57 -0.17 0.93 -1.08 0.00 0.00 179.45 179.70 2k47 h GLU 50 N 0.00 -0.46 -0.49 3.15 4.39 -1.98 -2.73 114.58 116.47 2k47 h GLU 50 Ca -0.01 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.81 2k47 h GLU 50 Cb 1.42 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 30.07 2k47 h GLU 50 CO 0.07 -0.15 -0.40 0.00 -1.16 0.00 0.00 179.01 177.38 2k47 h ALA 51 N -0.28 -0.29 -0.45 3.43 0.00 -1.88 -0.79 119.26 119.01 2k47 h ALA 51 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k47 h ALA 51 Cb 0.52 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2k47 h ALA 51 CO 0.08 -0.80 0.29 0.82 0.00 0.00 0.00 179.25 179.64 2k47 h ILE 52 N -0.26 1.12 -0.80 0.00 1.08 -1.71 -2.58 117.51 114.36 2k47 h ILE 52 Ca 0.17 -0.23 0.23 0.00 -0.39 0.00 0.00 64.86 64.65 2k47 h ILE 52 Cb 0.57 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 2k47 h ILE 52 CO -0.62 0.12 0.61 0.25 -0.69 0.00 0.00 178.15 177.81 2k47 h LEU 53 N 0.60 0.00 -1.11 1.44 5.85 -0.82 -1.64 115.31 119.63 2k47 h LEU 53 Ca 0.16 0.00 0.37 0.00 0.84 0.00 0.00 57.88 59.25 2k47 h LEU 53 Cb -0.06 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.82 2k47 h LEU 53 CO -0.03 0.00 0.63 -0.07 -0.34 0.00 0.00 178.44 178.63 2k47 h LEU 54 N 0.00 0.40 -0.85 2.25 4.07 -1.02 -1.30 115.31 118.86 2k47 h LEU 54 Ca 0.38 0.19 0.19 0.00 0.08 0.00 0.00 57.88 58.72 2k47 h LEU 54 Cb 1.59 0.16 -0.12 0.00 1.08 0.00 0.00 40.66 43.37 2k47 h LEU 54 CO -0.00 -0.21 0.35 1.23 -1.08 0.00 0.00 178.44 178.72 2k47 h GLY 55 N 0.19 1.38 -0.05 0.83 0.00 -1.50 -1.65 103.07 102.26 2k47 h GLY 55 Ca 0.78 -0.15 0.17 0.00 0.00 0.00 0.00 47.33 48.13 2k47 h GLY 55 CO -0.59 -0.21 0.29 1.41 0.00 0.00 0.00 176.54 177.44 2k47 h LEU 56 N 0.41 0.21 -1.18 3.11 3.38 -1.47 0.22 115.31 119.99 2k47 h LEU 56 Ca 0.51 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.56 2k47 h LEU 56 Cb 0.90 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2k47 h LEU 56 CO -0.49 0.02 -0.00 0.03 0.09 0.00 0.00 178.44 178.09 2k47 h ARG 57 N 0.38 0.56 -0.02 1.13 3.08 -1.47 0.26 114.38 118.29 2k47 h ARG 57 Ca 0.47 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 2k47 h ARG 57 Cb 0.80 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2k47 h ARG 57 CO -0.48 0.59 0.01 -0.92 -1.07 0.00 0.00 179.97 178.09 2k47 h TYR 58 N 0.54 0.03 0.00 3.04 3.20 -0.56 -2.96 116.97 120.27 2k47 h TYR 58 Ca 0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2k47 h TYR 58 Cb 0.35 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2k47 h TYR 58 CO 0.01 0.23 -0.02 1.63 -1.64 0.00 0.00 178.16 178.37 2k47 n LYS 59 N -4.97 0.09 -2.62 1.82 4.76 -0.46 -4.97 118.16 111.80 2k47 n LYS 59 Ca -0.07 0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k47 n LYS 59 Cb 0.13 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 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 -1.76 -0.95 -0.80 1.97 4.76 0.82 -5.00 118.16 117.20 2k47 n LYS 60 Ca 0.06 1.22 -0.04 0.00 -2.87 0.00 0.00 58.31 56.68 2k47 n LYS 60 Cb 0.37 -4.57 -0.04 0.00 -1.84 0.00 0.00 35.03 28.95 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 -1.56 -0.61 0.25 -0.35 -0.00 -0.62 -4.98 117.00 109.13 2k47 n LEU 61 Ca -0.00 -1.24 0.07 0.00 -0.00 0.00 0.00 56.01 54.84 2k47 n LEU 61 Cb 0.50 0.00 0.60 0.00 -0.00 0.00 0.00 43.42 44.52 2k47 n LEU 61 CO 0.38 1.12 1.02 0.22 -0.00 0.00 0.00 177.39 180.13 2k47 h TYR 62 N 0.00 0.00 0.66 1.47 5.03 -1.95 -0.64 116.97 121.54 2k47 h TYR 62 Ca -0.35 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 60.93 2k47 h TYR 62 Cb 1.06 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 2k47 h TYR 62 CO -0.12 0.05 -0.43 -2.95 -1.32 0.00 0.00 178.16 173.39 2k47 h ASN 63 N 0.00 -1.10 0.09 -2.11 -1.07 -1.94 -3.15 115.58 106.31 2k47 h ASN 63 Ca -0.00 0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.44 2k47 h ASN 63 Cb 0.09 0.33 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 2k47 h ASN 63 CO 0.01 -0.65 -0.47 0.00 0.07 0.00 0.00 177.43 176.39 2k47 n GLN 64 N -5.56 0.90 0.05 4.14 -0.00 -1.20 -4.22 117.38 111.49 2k47 n GLN 64 Ca -0.13 -0.68 -0.20 0.00 -0.00 0.00 0.00 57.00 55.98 2k47 n GLN 64 Cb 0.45 -1.49 -0.13 0.00 -0.00 0.00 0.00 30.24 29.07 2k47 n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k47 h ALA 65 N 3.68 0.00 0.00 2.61 0.00 -1.14 -0.55 119.26 123.86 2k47 h ALA 65 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 2k47 h ALA 65 Cb 0.64 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k47 h ALA 65 CO 0.00 0.48 -0.59 -0.09 0.00 0.00 0.00 179.25 179.05 2k47 h ARG 66 N -0.02 0.00 0.09 0.00 2.43 -1.75 -2.15 114.38 112.97 2k47 h ARG 66 Ca -0.13 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.69 2k47 h ARG 66 Cb 1.62 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.14 2k47 h ARG 66 CO 0.17 0.59 -1.96 1.33 -1.51 0.00 0.00 179.97 178.60 2k47 n VAL 67 N -3.65 1.70 0.01 0.20 0.24 -1.20 -3.92 118.33 111.71 2k47 n VAL 67 Ca -0.01 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.34 61.65 2k47 n VAL 67 Cb 0.63 -1.75 0.03 0.00 -1.47 0.00 0.00 33.84 31.28 2k47 n VAL 67 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2k47 h LYS 68 N -0.15 0.54 -6.21 7.34 3.64 -1.20 -3.45 116.57 117.08 2k47 h LYS 68 Ca -0.44 -0.38 -0.49 0.00 -1.27 0.00 0.00 60.65 58.07 2k47 h LYS 68 Cb 1.89 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.73 2k47 h LYS 68 CO 0.00 1.00 -0.45 0.71 -2.27 0.00 0.00 179.45 178.44 2k47 s TYR 69 N -3.85 2.95 -0.92 1.91 1.51 -0.81 -3.44 117.35 114.70 2k47 s TYR 69 Ca -0.07 -0.27 -0.22 0.00 -1.01 0.00 0.00 57.07 55.50 2k47 s TYR 69 Cb 0.11 -1.77 0.08 0.00 -0.11 0.00 0.00 41.96 40.26 2k47 s TYR 69 CO 0.85 0.21 1.28 0.45 -1.11 0.00 0.00 175.55 177.22 2k47 s SER 70 N -3.99 6.47 0.00 2.29 0.15 -1.09 -4.64 113.70 112.88 2k47 s SER 70 Ca 0.40 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2k47 s SER 70 Cb -0.06 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2k47 s SER 70 CO 0.27 -1.39 0.00 0.18 1.20 0.00 0.00 173.24 173.49 2k47 n LEU 71 N 8.06 0.00 0.00 3.45 4.32 -1.26 -4.27 117.00 127.30 2k47 n LEU 71 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 2k47 n LEU 71 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2k47 n LEU 71 CO 0.61 -0.27 0.00 0.18 -1.22 0.00 0.00 177.39 176.69 2k47 n LEU 72 N -1.80 0.00 0.00 2.23 7.99 -1.26 -5.07 117.00 119.09 2k47 n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2k47 n LEU 72 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2k47 n LEU 72 CO 0.00 -0.05 0.21 -0.62 -1.51 0.00 0.00 177.39 175.42