#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 4.75 0.39 6.43 2.15 -1.26 -4.89 116.67 124.24 2k47 s ASP 2 Ca 0.00 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 52.49 2k47 s ASP 2 Cb 0.00 -0.97 0.80 0.00 -0.30 0.00 0.00 42.92 42.45 2k47 s ASP 2 CO 0.00 0.00 2.03 1.62 -0.17 0.00 0.00 175.17 178.66 2k47 h VAL 3 N 1.86 1.12 0.14 1.11 3.04 -0.70 -0.39 116.25 122.43 2k47 h VAL 3 Ca -0.45 -0.27 -0.29 0.00 -1.01 0.00 0.00 66.70 64.69 2k47 h VAL 3 Cb 1.24 0.50 0.03 0.00 -2.01 0.00 0.00 31.29 31.06 2k47 h VAL 3 CO 0.60 0.13 -1.20 -0.50 -1.01 0.00 0.00 177.57 175.59 2k47 h TRP 4 N 0.60 0.94 0.36 3.17 6.55 -1.96 -3.29 115.95 122.31 2k47 h TRP 4 Ca 0.16 -0.61 -0.02 0.00 0.95 0.00 0.00 58.89 59.37 2k47 h TRP 4 Cb -0.03 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 2k47 h TRP 4 CO 0.00 1.46 -0.17 1.03 -1.05 0.00 0.00 178.44 179.70 2k47 h SER 5 N 0.16 -0.41 -2.67 -3.49 0.87 -1.86 -3.26 113.55 102.90 2k47 h SER 5 Ca -0.19 0.01 -0.79 0.00 -1.23 0.00 0.00 61.79 59.59 2k47 h SER 5 Cb 1.90 0.11 -0.24 0.00 -0.44 0.00 0.00 62.40 63.72 2k47 h SER 5 CO 0.23 -0.29 1.03 0.18 -0.53 0.00 0.00 176.83 177.45 2k47 n LEU 6 N -5.30 6.13 -1.02 2.23 4.77 -0.19 -4.70 117.00 118.92 2k47 n LEU 6 Ca -0.11 -4.97 0.08 0.00 -0.03 0.00 0.00 56.01 50.99 2k47 n LEU 6 Cb 0.21 -1.40 0.25 0.00 -2.33 0.00 0.00 43.42 40.14 2k47 n LEU 6 CO 0.36 1.44 0.71 -1.54 -1.33 0.00 0.00 177.39 177.02 2k47 n SER 7 N 2.66 3.57 -1.89 -1.43 3.41 -1.23 -4.41 113.62 114.30 2k47 n SER 7 Ca 0.30 -2.11 -0.05 0.00 -0.26 0.00 0.00 58.87 56.75 2k47 n SER 7 Cb 0.36 -0.38 0.29 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.95 3.53 -4.81 4.33 4.76 -1.26 0.05 118.16 125.70 2k47 n LYS 8 Ca 0.18 -3.09 -0.33 0.00 -2.87 0.00 0.00 58.31 52.21 2k47 n LYS 8 Cb 0.58 -2.17 -0.15 0.00 -1.84 0.00 0.00 35.03 31.45 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 -3.01 2.93 0.43 -0.18 -4.23 -1.26 -4.99 115.64 105.33 2k47 s THR 9 Ca 0.54 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 2k47 s THR 9 Cb 0.43 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 2k47 s THR 9 CO 0.12 0.53 0.12 -0.94 -0.54 0.00 0.00 174.62 173.91 2k47 s SER 10 N 0.37 4.22 -0.00 3.99 1.04 -1.26 -3.62 113.70 118.43 2k47 s SER 10 Ca -0.12 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.06 2k47 s SER 10 Cb -0.16 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 2k47 s SER 10 CO 0.06 -0.59 -0.03 -0.32 0.98 0.00 0.00 173.24 173.34 2k47 s MET 11 N -3.86 0.26 -0.36 4.02 1.75 -1.21 -4.97 119.30 114.94 2k47 s MET 11 Ca 0.34 -0.10 -0.23 0.00 -1.25 0.00 0.00 55.69 54.45 2k47 s MET 11 Cb 0.05 -0.27 0.01 0.00 2.84 0.00 0.00 34.83 37.47 2k47 s MET 11 CO 0.19 0.06 0.78 0.99 -0.65 0.00 0.00 175.02 176.38 2k47 s THR 12 N -0.01 4.74 0.00 10.11 2.01 -1.26 -3.80 115.64 127.44 2k47 s THR 12 Ca 0.00 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.89 2k47 s THR 12 Cb -0.02 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2k47 s THR 12 CO -0.00 -0.41 0.17 -0.36 -0.69 0.00 0.00 174.62 173.32 2k47 s PHE 13 N 3.08 3.50 -0.21 4.92 0.08 0.13 -4.94 117.98 124.54 2k47 s PHE 13 Ca 0.31 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.68 2k47 s PHE 13 Cb -0.13 -1.80 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 2k47 s PHE 13 CO 0.16 0.62 -0.07 1.14 -0.10 0.00 0.00 175.22 176.98 2k47 s GLN 14 N -1.98 1.67 0.52 0.44 -2.07 -1.26 -1.36 119.66 115.62 2k47 s GLN 14 Ca 0.27 -0.81 -0.19 0.00 -1.82 0.00 0.00 55.36 52.81 2k47 s GLN 14 Cb -0.13 -2.38 -0.10 0.00 -1.09 0.00 0.00 33.01 29.32 2k47 s GLN 14 CO 0.19 -0.51 0.53 -2.30 -1.32 0.00 0.00 175.29 171.89 2k47 n PRO 15 N 4.74 0.56 0.06 9.60 -0.02 -1.26 -1.86 135.00 146.81 2k47 n PRO 15 Ca -0.13 0.21 -0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2k47 n PRO 15 Cb 0.46 -1.65 0.30 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.43 0.37 -6.19 -0.52 1.79 -0.95 -3.44 116.57 108.06 2k47 h LYS 16 Ca -0.44 -0.10 -0.49 0.00 -2.18 0.00 0.00 60.65 57.43 2k47 h LYS 16 Cb 1.40 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.97 2k47 h LYS 16 CO 0.48 0.52 -0.39 0.15 -1.08 0.00 0.00 179.45 179.13 2k47 s LYS 17 N -4.67 2.59 0.28 3.15 3.01 -1.26 -5.04 119.74 117.79 2k47 s LYS 17 Ca -0.06 -1.47 0.19 0.00 -1.01 0.00 0.00 55.97 53.62 2k47 s LYS 17 Cb 0.15 -2.41 0.10 0.00 -1.01 0.00 0.00 37.83 34.66 2k47 s LYS 17 CO 0.76 -0.12 1.34 0.00 0.51 0.00 0.00 175.35 177.84 2k47 h ALA 18 N 1.08 0.74 -0.46 5.17 0.00 -2.01 -3.34 119.26 120.44 2k47 h ALA 18 Ca -0.42 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.18 2k47 h ALA 18 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2k47 h ALA 18 CO 0.57 0.41 0.27 0.77 0.00 0.00 0.00 179.25 181.27 2k47 h SER 19 N 0.00 0.44 -4.32 0.00 0.02 -1.97 -3.43 113.55 104.29 2k47 h SER 19 Ca -0.03 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.44 2k47 h SER 19 Cb 1.26 -0.09 0.11 0.00 0.14 0.00 0.00 62.40 63.82 2k47 h SER 19 CO 0.04 0.31 0.35 -0.76 -1.14 0.00 0.00 176.83 175.62 2k47 s LEU 20 N -10.21 2.63 -0.01 5.07 1.02 -1.25 -5.08 118.68 110.84 2k47 s LEU 20 Ca -0.13 1.27 0.05 0.00 0.02 0.00 0.00 54.13 55.34 2k47 s LEU 20 Cb 0.12 -3.90 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 2k47 s LEU 20 CO 0.73 -1.89 -0.16 -1.10 0.02 0.00 0.00 176.35 173.94 2k47 s GLN 21 N -5.19 2.33 0.48 1.70 1.11 -1.26 -4.83 119.66 113.99 2k47 s GLN 21 Ca 0.60 -0.81 -0.22 0.00 0.01 0.00 0.00 55.36 54.95 2k47 s GLN 21 Cb -0.14 -2.29 -0.10 0.00 -1.01 0.00 0.00 33.01 29.47 2k47 s GLN 21 CO 0.54 0.59 0.76 -2.30 0.01 0.00 0.00 175.29 174.89 2k47 n PRO 22 N 2.04 0.87 -3.96 2.91 -0.02 -1.26 -4.69 135.00 130.88 2k47 n PRO 22 Ca -0.17 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 2k47 n PRO 22 Cb 0.52 -1.83 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.21 2.78 -0.51 2.45 0.20 -0.47 -4.91 118.68 118.43 2k47 s LEU 23 Ca 0.66 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.99 2k47 s LEU 23 Cb -0.53 -1.67 0.15 0.00 -0.43 0.00 0.00 46.19 43.71 2k47 s LEU 23 CO 0.55 -0.03 0.33 -0.89 -0.29 0.00 0.00 176.35 176.02 2k47 s THR 24 N 1.41 1.68 0.17 3.68 2.01 -1.26 0.21 115.64 123.55 2k47 s THR 24 Ca 0.05 -3.09 0.10 0.00 0.31 0.00 0.00 61.69 59.05 2k47 s THR 24 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2k47 s THR 24 CO -0.06 -0.99 -0.22 -0.51 -0.69 0.00 0.00 174.62 172.16 2k47 s ILE 25 N -0.24 2.11 0.39 1.82 1.10 -1.25 -4.85 121.20 120.28 2k47 s ILE 25 Ca 0.23 -1.92 0.08 0.00 -0.51 0.00 0.00 60.65 58.52 2k47 s ILE 25 Cb -0.14 -1.97 -0.03 0.00 0.15 0.00 0.00 42.46 40.48 2k47 s ILE 25 CO -0.08 -0.15 0.32 -0.55 -2.11 0.00 0.00 174.94 172.37 2k47 s SER 26 N -2.53 5.04 0.04 4.50 0.15 -1.26 -3.29 113.70 116.35 2k47 s SER 26 Ca 0.17 -0.70 -0.21 0.00 0.70 0.00 0.00 55.95 55.91 2k47 s SER 26 Cb -0.08 -0.69 -0.11 0.00 -1.71 0.00 0.00 66.02 63.43 2k47 s SER 26 CO 0.08 -0.54 1.32 -0.07 1.20 0.00 0.00 173.24 175.23 2k47 h LEU 27 N 1.16 -0.69 -1.89 3.45 3.38 -1.61 -2.21 115.31 116.90 2k47 h LEU 27 Ca -0.43 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2k47 h LEU 27 Cb 1.26 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 2k47 h LEU 27 CO 0.59 -0.45 -0.06 -0.78 0.09 0.00 0.00 178.44 177.83 2k47 h ASP 28 N -0.72 0.00 -0.01 -0.43 3.58 -0.72 -1.31 116.42 116.81 2k47 h ASP 28 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2k47 h ASP 28 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2k47 h ASP 28 CO 0.09 0.06 0.00 1.21 -2.88 0.00 0.00 179.24 177.72 2k47 n GLU 29 N -4.45 1.15 -0.04 0.28 2.13 -1.16 -3.81 120.64 114.74 2k47 n GLU 29 Ca -0.03 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.58 2k47 n GLU 29 Cb 0.14 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 -0.72 0.45 -4.05 4.31 7.94 -0.54 -4.79 117.00 119.62 2k47 n LEU 30 Ca 0.22 -0.54 -0.20 0.00 -1.11 0.00 0.00 56.01 54.38 2k47 n LEU 30 Cb 0.16 -0.01 -0.15 0.00 0.53 0.00 0.00 43.42 43.95 2k47 n LEU 30 CO 0.17 0.13 -0.45 -0.36 -1.11 0.00 0.00 177.39 175.77 2k47 s PHE 31 N -0.26 1.01 -0.07 1.96 0.08 -0.93 -4.90 117.98 114.87 2k47 s PHE 31 Ca 0.01 -0.21 0.20 0.00 0.12 0.00 0.00 56.93 57.05 2k47 s PHE 31 Cb 0.01 -0.67 0.41 0.00 -0.57 0.00 0.00 43.02 42.20 2k47 s PHE 31 CO 0.00 -0.04 1.18 0.43 -0.10 0.00 0.00 175.22 176.69 2k47 n SER 32 N 2.92 1.23 -3.64 1.36 7.64 -1.26 -4.88 113.62 116.99 2k47 n SER 32 Ca -0.15 -2.66 -0.08 0.00 1.01 0.00 0.00 58.87 56.99 2k47 n SER 32 Cb 0.56 -0.38 -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 -2.40 -0.71 0.09 6.43 0.15 -1.26 -5.04 113.70 110.96 2k47 s SER 33 Ca 0.34 1.21 -0.20 0.00 0.70 0.00 0.00 55.95 58.01 2k47 s SER 33 Cb 0.37 1.27 -0.08 0.00 -1.71 0.00 0.00 66.02 65.86 2k47 s SER 33 CO -0.13 -0.20 1.61 0.03 1.20 0.00 0.00 173.24 175.75 2k47 h ARG 34 N 5.88 0.34 -0.63 5.44 3.08 -2.00 -2.37 114.38 124.12 2k47 h ARG 34 Ca -0.29 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 2k47 h ARG 34 Cb 1.20 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2k47 h ARG 34 CO 0.14 0.42 0.24 0.78 -1.07 0.00 0.00 179.97 180.48 2k47 h GLY 35 N 0.18 0.99 0.90 0.04 0.00 -2.00 -2.47 103.07 100.71 2k47 h GLY 35 Ca 0.07 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 46.91 2k47 h GLY 35 CO -0.00 0.49 0.48 -2.09 0.00 0.00 0.00 176.54 175.42 2k47 h GLU 36 N 0.91 0.92 -0.75 4.80 4.57 -1.92 -1.89 114.58 121.21 2k47 h GLU 36 Ca 0.21 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.38 2k47 h GLU 36 Cb 0.19 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 2k47 h GLU 36 CO -0.02 0.61 0.46 0.35 -1.18 0.00 0.00 179.01 179.23 2k47 h PHE 37 N 0.95 0.86 0.02 0.92 3.04 -0.98 -1.24 116.94 120.51 2k47 h PHE 37 Ca 0.30 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.30 2k47 h PHE 37 Cb -0.01 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.18 2k47 h PHE 37 CO -0.03 0.47 -0.22 0.82 -2.02 0.00 0.00 178.31 177.33 2k47 h ILE 38 N 0.88 0.50 0.27 1.41 1.08 -1.07 -1.81 117.51 118.77 2k47 h ILE 38 Ca 0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 2k47 h ILE 38 Cb 0.07 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2k47 h ILE 38 CO -0.13 0.00 -0.16 -1.28 -0.69 0.00 0.00 178.15 175.88 2k47 h SER 39 N -0.35 -0.42 -0.87 1.72 0.87 -1.02 -3.01 113.55 110.48 2k47 h SER 39 Ca 0.05 0.02 0.32 0.00 -1.23 0.00 0.00 61.79 60.96 2k47 h SER 39 Cb 0.42 0.12 -0.11 0.00 -0.44 0.00 0.00 62.40 62.40 2k47 h SER 39 CO -0.18 -0.25 0.53 1.33 -0.53 0.00 0.00 176.83 177.72 2k47 n VAL 40 N -3.27 -0.22 0.00 2.23 0.24 -0.50 -4.56 118.33 112.24 2k47 n VAL 40 Ca -0.05 1.33 0.00 0.00 -2.04 0.00 0.00 64.34 63.58 2k47 n VAL 40 Cb 0.17 -2.17 0.00 0.00 -1.47 0.00 0.00 33.84 30.37 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 -1.29 0.18 3.21 7.63 0.00 -1.11 -4.62 105.19 109.18 2k47 n GLY 41 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 2.14 -0.37 -0.02 0.00 -0.70 -4.89 107.32 103.36 2k47 s GLY 42 Ca 0.00 -2.68 0.06 0.00 0.00 0.00 0.00 44.72 42.11 2k47 s GLY 42 CO 0.00 1.12 1.67 1.22 0.00 0.00 0.00 173.10 177.12 2k47 n ASP 43 N 4.70 3.17 0.00 1.64 9.92 -1.26 -4.62 116.55 130.10 2k47 n ASP 43 Ca -0.05 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 2k47 n ASP 43 Cb 0.41 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 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 -1.13 2.05 3.50 0.44 0.00 -1.26 -4.73 105.19 104.06 2k47 n GLY 44 Ca 0.46 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 3.57 0.63 1.61 3.00 -1.26 0.04 118.95 126.54 2k47 s ARG 45 Ca 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 55.73 54.23 2k47 s ARG 45 Cb 0.00 -5.07 0.00 0.00 0.00 0.00 0.00 34.95 29.88 2k47 s ARG 45 CO 0.00 -1.98 0.98 1.41 0.00 0.00 0.00 175.30 175.72 2k47 s MET 46 N 3.82 3.04 0.00 3.54 1.75 -1.26 -4.99 119.30 125.20 2k47 s MET 46 Ca 0.38 0.29 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 2k47 s MET 46 Cb -0.03 -2.16 0.00 0.00 2.84 0.00 0.00 34.83 35.48 2k47 s MET 46 CO -0.08 -0.76 0.00 0.45 -0.65 0.00 0.00 175.02 173.97 2k47 n SER 47 N -2.74 0.00 0.02 1.11 2.88 -1.26 -4.94 113.62 108.69 2k47 n SER 47 Ca 0.05 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2k47 n SER 47 Cb 0.57 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 -1.91 -1.85 0.16 0.66 -0.00 -1.26 -4.94 115.22 106.08 2k47 n HIS 48 Ca 0.00 0.13 0.01 0.00 0.46 0.00 0.00 57.72 58.32 2k47 n HIS 48 Cb 0.00 0.62 0.26 0.00 -0.12 0.00 0.00 29.99 30.75 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 0.42 1.57 1.63 -1.97 -3.28 116.57 114.94 2k47 h LYS 49 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 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 0.50 -0.20 0.93 -3.45 0.00 0.00 179.45 177.23 2k47 h GLU 50 N 0.00 -0.55 -0.41 1.90 4.39 -1.98 -2.39 114.58 115.55 2k47 h GLU 50 Ca -0.00 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.78 2k47 h GLU 50 Cb 0.90 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 2k47 h GLU 50 CO 0.06 -0.29 -0.49 0.00 -1.16 0.00 0.00 179.01 177.13 2k47 h ALA 51 N -0.18 -0.70 -0.43 3.43 0.00 -1.90 -0.58 119.26 118.91 2k47 h ALA 51 Ca -0.06 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k47 h ALA 51 Cb 0.50 1.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2k47 h ALA 51 CO 0.10 -0.94 0.20 0.82 0.00 0.00 0.00 179.25 179.42 2k47 h ILE 52 N -0.31 0.94 -0.74 0.00 1.08 -1.68 -2.27 117.51 114.54 2k47 h ILE 52 Ca 0.07 -0.14 0.21 0.00 -0.39 0.00 0.00 64.86 64.61 2k47 h ILE 52 Cb 0.50 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 2k47 h ILE 52 CO -0.55 0.07 0.53 0.25 -0.69 0.00 0.00 178.15 177.76 2k47 h LEU 53 N 0.40 0.04 -1.73 1.44 5.85 -0.61 -1.02 115.31 119.69 2k47 h LEU 53 Ca 0.19 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.20 2k47 h LEU 53 Cb 0.12 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2k47 h LEU 53 CO -0.15 0.02 0.72 -0.07 -0.34 0.00 0.00 178.44 178.62 2k47 h LEU 54 N 0.04 0.20 -0.80 2.25 4.07 -0.61 -1.86 115.31 118.60 2k47 h LEU 54 Ca 0.35 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.53 2k47 h LEU 54 Cb 1.35 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.98 2k47 h LEU 54 CO -0.02 0.04 0.25 1.23 -1.08 0.00 0.00 178.44 178.87 2k47 h GLY 55 N 0.18 1.20 -0.05 0.83 0.00 -1.36 -1.70 103.07 102.17 2k47 h GLY 55 Ca 0.54 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.91 2k47 h GLY 55 CO -0.13 -0.22 -0.03 1.41 0.00 0.00 0.00 176.54 177.58 2k47 h LEU 56 N 0.32 -0.32 -1.54 3.11 3.38 -1.56 0.16 115.31 118.85 2k47 h LEU 56 Ca 0.46 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 2k47 h LEU 56 Cb 0.82 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2k47 h LEU 56 CO -0.51 -0.13 0.20 0.03 0.09 0.00 0.00 178.44 178.12 2k47 h ARG 57 N 0.09 0.50 -0.09 1.13 -0.00 -1.48 0.18 114.38 114.71 2k47 h ARG 57 Ca 0.30 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.71 2k47 h ARG 57 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.35 2k47 h ARG 57 CO -0.53 0.38 -0.07 -0.92 0.00 0.00 0.00 179.97 178.83 2k47 h TYR 58 N 0.51 0.24 0.00 3.04 5.03 -0.66 -3.08 116.97 122.04 2k47 h TYR 58 Ca 0.13 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2k47 h TYR 58 Cb 0.02 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.25 2k47 h TYR 58 CO 0.00 0.60 0.00 1.63 -1.32 0.00 0.00 178.16 179.08 2k47 n LYS 59 N -4.70 0.15 -2.39 1.82 4.76 0.10 -4.94 118.16 112.96 2k47 n LYS 59 Ca -0.07 0.29 -0.06 0.00 -2.87 0.00 0.00 58.31 55.60 2k47 n LYS 59 Cb 0.29 -1.74 0.03 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 -2.02 -1.05 -0.90 1.97 4.76 0.54 -4.99 118.16 116.47 2k47 n LYS 60 Ca 0.04 0.61 -0.04 0.00 -2.87 0.00 0.00 58.31 56.04 2k47 n LYS 60 Cb 0.28 -3.77 -0.04 0.00 -1.84 0.00 0.00 35.03 29.67 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 -2.14 -0.68 0.28 -0.35 -0.00 -0.72 -4.97 117.00 108.42 2k47 n LEU 61 Ca -0.03 -1.38 0.19 0.00 -0.00 0.00 0.00 56.01 54.79 2k47 n LEU 61 Cb 0.55 0.02 0.95 0.00 -0.00 0.00 0.00 43.42 44.93 2k47 n LEU 61 CO 0.30 1.18 1.06 0.22 -0.00 0.00 0.00 177.39 180.15 2k47 h TYR 62 N 0.03 0.00 0.23 1.47 3.20 -1.93 -1.60 116.97 118.38 2k47 h TYR 62 Ca -0.37 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 2k47 h TYR 62 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2k47 h TYR 62 CO -0.13 0.00 -0.11 -0.91 -1.64 0.00 0.00 178.16 175.37 2k47 h ASN 63 N 0.00 -0.26 0.17 -2.11 4.21 -1.93 -3.31 115.58 112.35 2k47 h ASN 63 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2k47 h ASN 63 Cb 0.14 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2k47 h ASN 63 CO 0.00 -0.17 -0.37 1.67 -1.29 0.00 0.00 177.43 177.27 2k47 n GLN 64 N -2.94 0.84 -0.01 0.81 7.27 -1.23 -4.28 117.38 117.84 2k47 n GLN 64 Ca -0.04 -0.58 -0.18 0.00 0.07 0.00 0.00 57.00 56.28 2k47 n GLN 64 Cb 0.12 -1.49 -0.09 0.00 2.41 0.00 0.00 30.24 31.20 2k47 n GLN 64 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k47 h ALA 65 N 3.66 0.21 0.00 1.69 0.00 -1.42 0.13 119.26 123.52 2k47 h ALA 65 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2k47 h ALA 65 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k47 h ALA 65 CO 0.00 0.57 -0.30 -0.09 0.00 0.00 0.00 179.25 179.43 2k47 h ARG 66 N 0.32 0.00 0.06 0.00 2.43 -1.74 -2.10 114.38 113.35 2k47 h ARG 66 Ca -0.07 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.72 2k47 h ARG 66 Cb 1.40 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.91 2k47 h ARG 66 CO 0.15 0.30 -2.22 1.33 -1.51 0.00 0.00 179.97 178.02 2k47 n VAL 67 N -3.55 1.64 0.11 0.20 0.24 -1.21 -4.12 118.33 111.63 2k47 n VAL 67 Ca -0.00 -0.63 -0.02 0.00 -2.04 0.00 0.00 64.34 61.65 2k47 n VAL 67 Cb 0.44 -1.54 0.21 0.00 -1.47 0.00 0.00 33.84 31.48 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 0.04 0.19 -6.24 7.34 1.63 -0.80 -3.45 116.57 115.28 2k47 h LYS 68 Ca -0.49 -0.10 -0.56 0.00 -0.85 0.00 0.00 60.65 58.65 2k47 h LYS 68 Cb 1.98 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.53 2k47 h LYS 68 CO 0.01 0.62 -0.61 0.71 -3.45 0.00 0.00 179.45 176.73 2k47 s TYR 69 N -4.03 2.89 -1.09 1.91 1.51 -0.79 -0.28 117.35 117.47 2k47 s TYR 69 Ca -0.04 -0.15 -0.22 0.00 -1.01 0.00 0.00 57.07 55.65 2k47 s TYR 69 Cb 0.13 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.71 2k47 s TYR 69 CO 0.77 0.56 1.55 0.45 -1.11 0.00 0.00 175.55 177.77 2k47 s SER 70 N -3.48 6.51 0.00 2.29 0.15 -0.78 -4.63 113.70 113.75 2k47 s SER 70 Ca 0.31 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2k47 s SER 70 Cb -0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2k47 s SER 70 CO 0.21 -1.50 0.00 0.18 1.20 0.00 0.00 173.24 173.33 2k47 n LEU 71 N 9.06 0.00 -4.20 3.45 4.32 -1.26 -4.34 117.00 124.03 2k47 n LEU 71 Ca 0.37 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.97 2k47 n LEU 71 Cb 0.50 -0.03 -0.09 0.00 -1.62 0.00 0.00 43.42 42.17 2k47 n LEU 71 CO 0.69 -0.43 -0.07 -0.76 -1.22 0.00 0.00 177.39 175.60 2k47 s LEU 72 N -4.57 5.53 0.00 2.23 2.01 -1.26 -5.06 118.68 117.56 2k47 s LEU 72 Ca 0.00 -1.90 0.17 0.00 0.01 0.00 0.00 54.13 52.41 2k47 s LEU 72 Cb 0.00 -1.97 0.13 0.00 0.01 0.00 0.00 46.19 44.37 2k47 s LEU 72 CO 0.00 -0.64 1.04 -0.62 1.01 0.00 0.00 176.35 177.14