#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 4.42 0.39 6.43 2.15 -1.26 -4.92 116.67 123.87 2k47 s ASP 2 Ca 0.00 -0.73 0.07 0.00 0.43 0.00 0.00 52.55 52.33 2k47 s ASP 2 Cb 0.00 -0.75 0.79 0.00 -0.30 0.00 0.00 42.92 42.65 2k47 s ASP 2 CO 0.00 -0.03 1.97 1.62 -0.17 0.00 0.00 175.17 178.55 2k47 h VAL 3 N 1.90 1.15 0.13 1.11 3.04 -1.05 -1.05 116.25 121.48 2k47 h VAL 3 Ca -0.44 -0.53 -0.28 0.00 -1.01 0.00 0.00 66.70 64.44 2k47 h VAL 3 Cb 1.25 0.88 0.02 0.00 -2.01 0.00 0.00 31.29 31.42 2k47 h VAL 3 CO 0.61 0.19 -1.24 -0.25 -1.01 0.00 0.00 177.57 175.87 2k47 h TRP 4 N 0.41 0.73 0.02 3.17 2.91 -1.91 -3.33 115.95 117.95 2k47 h TRP 4 Ca 0.10 -0.49 -0.00 0.00 1.13 0.00 0.00 58.89 59.63 2k47 h TRP 4 Cb 0.19 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2k47 h TRP 4 CO 0.01 1.36 -0.01 0.77 -1.03 0.00 0.00 178.44 179.53 2k47 h SER 5 N 0.16 -0.02 -3.60 2.65 0.02 -1.87 -3.35 113.55 107.54 2k47 h SER 5 Ca -0.16 -0.18 -0.78 0.00 -0.84 0.00 0.00 61.79 59.83 2k47 h SER 5 Cb 1.93 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 64.22 2k47 h SER 5 CO 0.22 0.17 0.23 -0.76 -1.14 0.00 0.00 176.83 175.55 2k47 s LEU 6 N -9.83 6.49 0.00 5.07 1.43 -0.43 -4.77 118.68 116.65 2k47 s LEU 6 Ca -0.14 -2.65 0.00 0.00 -1.03 0.00 0.00 54.13 50.31 2k47 s LEU 6 Cb 0.04 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2k47 s LEU 6 CO 0.66 -0.63 0.92 -1.20 0.23 0.00 0.00 176.35 176.33 2k47 n SER 7 N 4.29 1.72 -0.02 2.29 7.64 -1.26 -4.71 113.62 123.57 2k47 n SER 7 Ca 0.16 -1.84 -0.13 0.00 1.01 0.00 0.00 58.87 58.07 2k47 n SER 7 Cb 0.47 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.42 0.67 -1.72 1.43 4.76 -1.26 -0.10 118.16 121.52 2k47 n LYS 8 Ca 0.00 0.26 -0.40 0.00 -2.87 0.00 0.00 58.31 55.30 2k47 n LYS 8 Cb 0.27 -1.74 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 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 -2.58 3.14 0.70 -0.18 -4.23 -1.26 -4.77 115.64 106.46 2k47 s THR 9 Ca -0.11 0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.44 2k47 s THR 9 Cb 0.07 -3.24 0.05 0.00 1.34 0.00 0.00 72.50 70.73 2k47 s THR 9 CO 0.80 -0.19 1.03 -0.94 -0.54 0.00 0.00 174.62 174.78 2k47 s SER 10 N 9.03 4.93 0.06 3.99 1.04 -1.26 -4.55 113.70 126.94 2k47 s SER 10 Ca 0.92 0.59 0.05 0.00 0.48 0.00 0.00 55.95 57.99 2k47 s SER 10 Cb -0.24 -1.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 2k47 s SER 10 CO 0.30 -1.54 -0.14 -0.32 0.98 0.00 0.00 173.24 172.52 2k47 s MET 11 N -5.26 0.88 -0.16 4.02 1.75 -1.06 -4.92 119.30 114.54 2k47 s MET 11 Ca 0.59 -0.87 -0.16 0.00 -1.25 0.00 0.00 55.69 54.00 2k47 s MET 11 Cb -0.11 -0.90 -0.04 0.00 2.84 0.00 0.00 34.83 36.62 2k47 s MET 11 CO 0.46 0.21 0.40 0.99 -0.65 0.00 0.00 175.02 176.43 2k47 s THR 12 N -1.07 5.22 0.00 10.11 2.01 -1.26 -3.12 115.64 127.53 2k47 s THR 12 Ca -0.00 0.76 -0.14 0.00 0.31 0.00 0.00 61.69 62.62 2k47 s THR 12 Cb -0.09 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 2k47 s THR 12 CO 0.02 0.31 0.39 -0.36 -0.69 0.00 0.00 174.62 174.29 2k47 s PHE 13 N 0.85 3.70 -0.26 4.92 0.08 0.23 -4.93 117.98 122.58 2k47 s PHE 13 Ca 0.21 0.94 -0.00 0.00 0.12 0.00 0.00 56.93 58.20 2k47 s PHE 13 Cb -0.14 -2.25 0.08 0.00 -0.57 0.00 0.00 43.02 40.13 2k47 s PHE 13 CO 0.08 0.64 0.03 -1.14 -0.10 0.00 0.00 175.22 174.72 2k47 s GLN 14 N -1.18 1.07 0.47 0.44 2.00 -1.26 -2.53 119.66 118.67 2k47 s GLN 14 Ca 0.24 -0.94 -0.24 0.00 -2.00 0.00 0.00 55.36 52.42 2k47 s GLN 14 Cb -0.16 -2.32 -0.08 0.00 0.80 0.00 0.00 33.01 31.25 2k47 s GLN 14 CO 0.13 -0.76 1.41 -2.30 -0.50 0.00 0.00 175.29 173.27 2k47 n PRO 15 N 4.79 2.11 0.02 1.67 -0.02 -1.26 -2.87 135.00 139.44 2k47 n PRO 15 Ca -0.07 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 2k47 n PRO 15 Cb 0.44 -2.61 0.16 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.08 0.46 -6.26 -0.52 1.57 -1.74 -3.45 116.57 108.71 2k47 h LYS 16 Ca -0.51 -0.21 -0.46 0.00 -1.87 0.00 0.00 60.65 57.60 2k47 h LYS 16 Cb 1.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2k47 h LYS 16 CO 0.60 0.75 -0.40 0.15 -0.57 0.00 0.00 179.45 179.99 2k47 s LYS 17 N -4.29 3.04 0.11 3.15 3.01 -1.26 -5.04 119.74 118.45 2k47 s LYS 17 Ca -0.06 -1.06 -0.07 0.00 -1.01 0.00 0.00 55.97 53.77 2k47 s LYS 17 Cb 0.13 -2.72 -0.15 0.00 -1.01 0.00 0.00 37.83 34.08 2k47 s LYS 17 CO 0.80 0.14 1.25 0.00 0.51 0.00 0.00 175.35 178.06 2k47 h ALA 18 N 1.07 0.27 -0.96 5.17 0.00 -2.00 -3.27 119.26 119.54 2k47 h ALA 18 Ca -0.46 -0.73 0.09 0.00 0.00 0.00 0.00 54.91 53.81 2k47 h ALA 18 Cb 1.25 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2k47 h ALA 18 CO 0.56 0.80 0.60 0.66 0.00 0.00 0.00 179.25 181.87 2k47 h SER 19 N 0.24 0.92 -4.23 0.00 4.64 -1.98 -3.43 113.55 109.72 2k47 h SER 19 Ca -0.10 0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 60.74 2k47 h SER 19 Cb 1.66 -0.16 0.15 0.00 -0.31 0.00 0.00 62.40 63.74 2k47 h SER 19 CO 0.18 0.54 0.28 -0.76 -0.87 0.00 0.00 176.83 176.20 2k47 s LEU 20 N -10.21 2.78 0.02 5.97 1.43 -1.24 -5.06 118.68 112.37 2k47 s LEU 20 Ca -0.12 1.80 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 2k47 s LEU 20 Cb 0.21 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 2k47 s LEU 20 CO 0.80 -2.38 -0.26 -1.10 0.23 0.00 0.00 176.35 173.64 2k47 s GLN 21 N -4.86 1.90 1.18 1.70 -0.21 -1.26 -4.86 119.66 113.24 2k47 s GLN 21 Ca 0.63 -1.05 -0.16 0.00 0.02 0.00 0.00 55.36 54.80 2k47 s GLN 21 Cb -0.18 -1.99 0.28 0.00 1.00 0.00 0.00 33.01 32.11 2k47 s GLN 21 CO 0.57 0.53 1.05 -1.25 -2.12 0.00 0.00 175.29 174.06 2k47 s PRO 22 N -1.03 -1.04 0.10 2.91 0.04 -1.26 -4.66 135.00 130.06 2k47 s PRO 22 Ca 0.11 0.38 -0.05 0.00 0.04 0.00 0.00 61.00 61.48 2k47 s PRO 22 Cb -0.10 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2k47 s PRO 22 CO 0.01 -3.69 0.13 -1.17 0.04 0.00 0.00 177.00 172.32 2k47 s LEU 23 N -7.07 1.68 -0.43 -3.56 2.96 -1.05 -4.93 118.68 106.27 2k47 s LEU 23 Ca 0.68 -0.88 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2k47 s LEU 23 Cb -0.17 0.72 0.17 0.00 0.50 0.00 0.00 46.19 47.41 2k47 s LEU 23 CO 0.59 -0.73 0.53 -0.89 -1.32 0.00 0.00 176.35 174.54 2k47 s THR 24 N -3.93 -0.54 0.09 3.68 2.01 -1.26 0.76 115.64 116.44 2k47 s THR 24 Ca 0.11 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 61.02 2k47 s THR 24 Cb 0.06 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2k47 s THR 24 CO -0.06 -0.41 -0.09 -0.51 -0.69 0.00 0.00 174.62 172.85 2k47 s ILE 25 N 1.07 0.79 0.53 1.82 1.10 -1.18 -4.87 121.20 120.46 2k47 s ILE 25 Ca 0.24 -1.60 0.03 0.00 -0.51 0.00 0.00 60.65 58.80 2k47 s ILE 25 Cb -0.05 -1.29 0.01 0.00 0.15 0.00 0.00 42.46 41.28 2k47 s ILE 25 CO -0.07 -0.61 0.17 -0.55 -2.11 0.00 0.00 174.94 171.77 2k47 s SER 26 N -2.43 4.34 0.04 4.50 0.15 -1.26 -2.58 113.70 116.48 2k47 s SER 26 Ca 0.04 -1.50 -0.21 0.00 0.70 0.00 0.00 55.95 54.98 2k47 s SER 26 Cb -0.02 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.70 2k47 s SER 26 CO -0.01 -0.98 1.32 -0.07 1.20 0.00 0.00 173.24 174.70 2k47 h LEU 27 N 1.08 -0.76 -1.33 3.45 3.38 -1.78 0.51 115.31 119.87 2k47 h LEU 27 Ca -0.41 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2k47 h LEU 27 Cb 1.31 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2k47 h LEU 27 CO 0.67 -0.41 0.27 -0.78 0.09 0.00 0.00 178.44 178.28 2k47 h ASP 28 N -0.63 0.65 1.03 -0.43 3.58 -0.83 -1.40 116.42 118.39 2k47 h ASP 28 Ca -0.05 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2k47 h ASP 28 Cb 0.53 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2k47 h ASP 28 CO 0.01 0.54 0.00 -0.62 -2.88 0.00 0.00 179.24 176.29 2k47 n GLU 29 N -4.39 0.17 -0.01 0.28 4.71 -1.16 -3.39 120.64 116.85 2k47 n GLU 29 Ca 0.05 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 2k47 n GLU 29 Cb 0.11 -1.75 0.01 0.00 -1.01 0.00 0.00 31.44 28.80 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 -2.06 2.03 -3.98 -4.62 7.94 0.16 -4.79 117.00 111.67 2k47 n LEU 30 Ca 0.04 -1.95 -0.16 0.00 -1.11 0.00 0.00 56.01 52.83 2k47 n LEU 30 Cb 0.32 -0.02 -0.14 0.00 0.53 0.00 0.00 43.42 44.11 2k47 n LEU 30 CO 0.24 0.51 -0.41 -0.36 -1.11 0.00 0.00 177.39 176.26 2k47 s PHE 31 N -0.96 0.55 -0.20 1.96 0.08 -0.66 -4.95 117.98 113.81 2k47 s PHE 31 Ca 0.02 -0.16 0.19 0.00 0.12 0.00 0.00 56.93 57.10 2k47 s PHE 31 Cb 0.01 -0.35 0.47 0.00 -0.57 0.00 0.00 43.02 42.58 2k47 s PHE 31 CO 0.01 -0.02 1.15 0.43 -0.10 0.00 0.00 175.22 176.70 2k47 n SER 32 N 2.70 2.15 -3.64 1.36 7.64 -1.26 -4.82 113.62 117.76 2k47 n SER 32 Ca -0.14 -2.60 -0.06 0.00 1.01 0.00 0.00 58.87 57.08 2k47 n SER 32 Cb 0.57 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.27 -0.56 0.21 6.43 0.15 -1.26 -5.02 113.70 110.38 2k47 s SER 33 Ca 0.35 0.96 -0.07 0.00 0.70 0.00 0.00 55.95 57.89 2k47 s SER 33 Cb 0.36 1.13 0.16 0.00 -1.71 0.00 0.00 66.02 65.97 2k47 s SER 33 CO -0.06 -0.16 1.74 0.08 1.20 0.00 0.00 173.24 176.04 2k47 h ARG 34 N 5.52 1.10 -0.38 5.44 0.11 -2.00 -2.49 114.38 121.69 2k47 h ARG 34 Ca -0.28 -0.26 -0.13 0.00 0.10 0.00 0.00 59.98 59.41 2k47 h ARG 34 Cb 1.19 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 2k47 h ARG 34 CO 0.15 0.97 -0.29 0.78 0.10 0.00 0.00 179.97 181.69 2k47 h GLY 35 N 1.08 0.87 0.71 0.08 0.00 -2.00 -2.92 103.07 100.88 2k47 h GLY 35 Ca 0.22 -0.79 0.06 0.00 0.00 0.00 0.00 47.33 46.82 2k47 h GLY 35 CO 0.00 0.72 0.54 -2.09 0.00 0.00 0.00 176.54 175.71 2k47 h GLU 36 N 0.68 0.95 -0.82 4.80 4.57 -1.90 -1.34 114.58 121.52 2k47 h GLU 36 Ca 0.08 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2k47 h GLU 36 Cb 0.82 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 2k47 h GLU 36 CO 0.07 0.63 0.53 0.35 -1.18 0.00 0.00 179.01 179.41 2k47 h PHE 37 N 0.97 1.00 -0.01 0.92 3.57 -1.27 -1.68 116.94 120.44 2k47 h PHE 37 Ca 0.38 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.93 2k47 h PHE 37 Cb 0.19 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2k47 h PHE 37 CO -0.03 0.58 -0.13 0.82 -2.23 0.00 0.00 178.31 177.32 2k47 h ILE 38 N 1.04 0.67 0.33 1.41 1.08 -1.11 -1.00 117.51 119.93 2k47 h ILE 38 Ca 0.33 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.78 2k47 h ILE 38 Cb -0.01 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 2k47 h ILE 38 CO -0.11 0.00 -0.16 0.28 -0.69 0.00 0.00 178.15 177.47 2k47 h SER 39 N -0.22 -0.38 -0.77 1.72 0.02 -1.11 -3.12 113.55 109.69 2k47 h SER 39 Ca 0.05 0.01 0.30 0.00 -0.84 0.00 0.00 61.79 61.32 2k47 h SER 39 Cb 0.28 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.80 2k47 h SER 39 CO -0.13 -0.27 0.44 1.33 -1.14 0.00 0.00 176.83 177.06 2k47 n VAL 40 N -3.20 -0.26 0.00 2.27 0.24 -0.66 -4.62 118.33 112.08 2k47 n VAL 40 Ca -0.05 1.38 0.00 0.00 -2.04 0.00 0.00 64.34 63.63 2k47 n VAL 40 Cb 0.18 -2.25 0.00 0.00 -1.47 0.00 0.00 33.84 30.29 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 -1.23 0.41 3.04 7.63 0.00 -1.12 -4.48 105.19 109.44 2k47 n GLY 41 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.76 2.08 0.00 -0.02 0.00 -0.39 -4.82 107.32 103.40 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 0.99 0.00 1.22 0.00 0.00 0.00 173.10 175.31 2k47 n ASP 43 N 4.09 0.00 0.00 1.64 9.92 -1.26 -4.29 116.55 126.65 2k47 n ASP 43 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2k47 n ASP 43 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 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 2.55 -1.32 3.45 0.44 0.00 -1.26 -4.91 105.19 104.13 2k47 n GLY 44 Ca 0.00 0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.77 3.60 0.96 1.61 3.00 -1.26 -0.45 118.95 125.64 2k47 s ARG 45 Ca 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 55.73 53.82 2k47 s ARG 45 Cb 0.00 -4.90 0.16 0.00 0.00 0.00 0.00 34.95 30.22 2k47 s ARG 45 CO 0.00 -1.75 1.12 1.41 0.00 0.00 0.00 175.30 176.08 2k47 s MET 46 N 2.58 0.78 0.00 3.54 1.75 -1.26 -5.01 119.30 121.68 2k47 s MET 46 Ca 0.32 0.36 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 2k47 s MET 46 Cb -0.05 -1.79 0.00 0.00 2.84 0.00 0.00 34.83 35.83 2k47 s MET 46 CO -0.09 -2.46 0.00 0.45 -0.65 0.00 0.00 175.02 172.27 2k47 n SER 47 N -3.96 0.00 0.00 1.11 2.88 -1.26 -5.01 113.62 107.38 2k47 n SER 47 Ca 0.06 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2k47 n SER 47 Cb 0.59 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.87 0.00 0.04 0.66 -0.00 -1.26 -4.95 115.22 107.84 2k47 n HIS 48 Ca 0.00 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 2k47 n HIS 48 Cb 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.74 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 0.04 0.58 1.57 1.57 -1.97 -3.38 116.57 114.98 2k47 h LYS 49 Ca 0.00 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2k47 h LYS 49 Cb 0.00 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2k47 h LYS 49 CO 0.00 0.86 -0.28 1.49 -0.57 0.00 0.00 179.45 180.95 2k47 h GLU 50 N 0.01 -0.75 -0.64 3.15 4.81 -1.97 -2.36 114.58 116.82 2k47 h GLU 50 Ca -0.13 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2k47 h GLU 50 Cb 1.88 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 31.32 2k47 h GLU 50 CO 0.12 -0.48 -0.40 0.00 -0.73 0.00 0.00 179.01 177.52 2k47 h ALA 51 N -0.42 -0.17 -0.33 2.92 0.00 -1.88 0.36 119.26 119.74 2k47 h ALA 51 Ca -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k47 h ALA 51 Cb 0.62 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2k47 h ALA 51 CO 0.13 -0.75 0.18 0.82 0.00 0.00 0.00 179.25 179.63 2k47 h ILE 52 N -0.17 1.14 -0.90 0.00 1.08 -1.74 -2.72 117.51 114.20 2k47 h ILE 52 Ca 0.22 -0.37 0.25 0.00 -0.39 0.00 0.00 64.86 64.57 2k47 h ILE 52 Cb 0.56 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 2k47 h ILE 52 CO -0.73 0.14 0.63 0.25 -0.69 0.00 0.00 178.15 177.76 2k47 h LEU 53 N 0.41 0.08 -1.11 1.44 5.85 -0.40 -1.50 115.31 120.08 2k47 h LEU 53 Ca 0.12 0.01 0.35 0.00 0.84 0.00 0.00 57.88 59.19 2k47 h LEU 53 Cb 0.07 -0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.95 2k47 h LEU 53 CO -0.02 0.03 0.63 -0.07 -0.34 0.00 0.00 178.44 178.67 2k47 h LEU 54 N 0.08 0.44 -0.82 2.25 4.07 -0.97 -1.74 115.31 118.63 2k47 h LEU 54 Ca 0.44 0.18 0.20 0.00 0.08 0.00 0.00 57.88 58.77 2k47 h LEU 54 Cb 1.61 0.13 -0.13 0.00 1.08 0.00 0.00 40.66 43.35 2k47 h LEU 54 CO -0.05 -0.15 0.18 1.23 -1.08 0.00 0.00 178.44 178.58 2k47 h GLY 55 N 0.26 1.17 -0.19 0.83 0.00 -1.46 -1.50 103.07 102.16 2k47 h GLY 55 Ca 0.75 -0.01 0.17 0.00 0.00 0.00 0.00 47.33 48.24 2k47 h GLY 55 CO -0.55 -0.30 0.14 1.41 0.00 0.00 0.00 176.54 177.24 2k47 h LEU 56 N 0.22 -0.08 -1.23 3.11 3.38 -1.55 0.21 115.31 119.37 2k47 h LEU 56 Ca 0.48 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.59 2k47 h LEU 56 Cb 0.91 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2k47 h LEU 56 CO -0.61 -0.09 0.14 0.03 0.09 0.00 0.00 178.44 178.00 2k47 h ARG 57 N 0.22 0.67 0.08 1.13 2.47 -1.45 0.19 114.38 117.68 2k47 h ARG 57 Ca 0.43 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2k47 h ARG 57 Cb 0.77 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2k47 h ARG 57 CO -0.57 0.59 -0.04 -0.92 0.56 0.00 0.00 179.97 179.59 2k47 h TYR 58 N 0.66 -0.10 0.00 3.04 3.20 -0.59 -2.99 116.97 120.19 2k47 h TYR 58 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2k47 h TYR 58 Cb 0.20 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2k47 h TYR 58 CO 0.01 0.20 0.00 1.63 -1.64 0.00 0.00 178.16 178.36 2k47 n LYS 59 N -5.00 0.12 -2.51 1.82 4.76 -0.28 -4.95 118.16 112.12 2k47 n LYS 59 Ca -0.08 0.23 -0.02 0.00 -2.87 0.00 0.00 58.31 55.56 2k47 n LYS 59 Cb 0.18 -1.67 0.01 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 -1.89 -0.97 -0.81 1.97 4.76 0.56 -5.00 118.16 116.79 2k47 n LYS 60 Ca 0.04 0.98 -0.04 0.00 -2.87 0.00 0.00 58.31 56.42 2k47 n LYS 60 Cb 0.29 -4.18 -0.04 0.00 -1.84 0.00 0.00 35.03 29.26 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 -1.76 -0.63 0.32 -0.35 -0.00 -0.58 -4.97 117.00 109.03 2k47 n LEU 61 Ca -0.01 -1.25 0.21 0.00 -0.00 0.00 0.00 56.01 54.95 2k47 n LEU 61 Cb 0.52 0.00 1.06 0.00 -0.00 0.00 0.00 43.42 45.00 2k47 n LEU 61 CO 0.34 1.13 1.13 0.22 -0.00 0.00 0.00 177.39 180.21 2k47 h TYR 62 N 0.00 0.00 0.44 1.47 3.20 -1.94 -0.84 116.97 119.31 2k47 h TYR 62 Ca -0.36 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 2k47 h TYR 62 Cb 1.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2k47 h TYR 62 CO -0.12 0.00 -0.21 -0.97 -1.64 0.00 0.00 178.16 175.23 2k47 h ASN 63 N 0.00 -0.50 0.16 -2.11 -1.24 -1.93 -3.33 115.58 106.63 2k47 h ASN 63 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2k47 h ASN 63 Cb 0.14 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2k47 h ASN 63 CO 0.00 -0.28 -0.46 0.00 -1.29 0.00 0.00 177.43 175.40 2k47 n GLN 64 N -4.01 0.74 0.08 6.67 3.00 -1.22 -4.23 117.38 118.40 2k47 n GLN 64 Ca -0.07 -0.53 -0.07 0.00 -0.01 0.00 0.00 57.00 56.32 2k47 n GLN 64 Cb 0.23 -1.49 0.08 0.00 0.00 0.00 0.00 30.24 29.06 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 3.57 0.74 0.00 -1.58 0.00 -1.29 -0.74 119.26 119.96 2k47 h ALA 65 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 2k47 h ALA 65 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k47 h ALA 65 CO 0.00 0.77 -0.51 -0.09 0.00 0.00 0.00 179.25 179.43 2k47 h ARG 66 N 0.18 0.00 0.12 0.00 2.43 -1.74 -2.34 114.38 113.03 2k47 h ARG 66 Ca -0.02 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.80 2k47 h ARG 66 Cb 1.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2k47 h ARG 66 CO 0.11 0.51 -1.90 -0.39 -1.51 0.00 0.00 179.97 176.78 2k47 h VAL 67 N 0.00 0.72 -0.04 0.20 -1.51 -1.73 -3.38 116.25 110.50 2k47 h VAL 67 Ca -0.01 -2.43 -0.20 0.00 -1.23 0.00 0.00 66.70 62.83 2k47 h VAL 67 Cb 1.28 2.55 -0.00 0.00 -2.13 0.00 0.00 31.29 32.99 2k47 h VAL 67 CO 0.07 0.85 -0.82 0.11 -1.23 0.00 0.00 177.57 176.54 2k47 h LYS 68 N 0.07 0.40 -6.44 5.19 1.79 -1.23 -3.45 116.57 112.90 2k47 h LYS 68 Ca -0.39 -0.38 -0.65 0.00 -2.18 0.00 0.00 60.65 57.06 2k47 h LYS 68 Cb 2.04 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 32.65 2k47 h LYS 68 CO 0.11 1.03 -0.70 0.71 -1.08 0.00 0.00 179.45 179.52 2k47 s TYR 69 N -3.46 2.84 -1.00 -1.35 1.51 -0.88 -2.05 117.35 112.96 2k47 s TYR 69 Ca -0.06 -0.11 -0.21 0.00 -1.01 0.00 0.00 57.07 55.68 2k47 s TYR 69 Cb 0.10 -1.45 0.08 0.00 -0.11 0.00 0.00 41.96 40.59 2k47 s TYR 69 CO 0.85 0.47 1.33 -1.12 -1.11 0.00 0.00 175.55 175.97 2k47 s SER 70 N -2.44 6.57 -0.09 2.29 0.01 -1.14 -4.56 113.70 114.35 2k47 s SER 70 Ca 0.24 -1.74 -0.10 0.00 1.31 0.00 0.00 55.95 55.66 2k47 s SER 70 Cb -0.11 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2k47 s SER 70 CO 0.16 -1.31 -0.20 0.18 0.41 0.00 0.00 173.24 172.48 2k47 n LEU 71 N 7.91 1.23 -4.34 2.44 4.32 -1.26 -4.66 117.00 122.64 2k47 n LEU 71 Ca 0.30 0.20 -0.46 0.00 -0.02 0.00 0.00 56.01 56.03 2k47 n LEU 71 Cb 0.50 -0.60 -0.02 0.00 -1.62 0.00 0.00 43.42 41.69 2k47 n LEU 71 CO 0.60 -0.40 0.53 -0.76 -1.22 0.00 0.00 177.39 176.15 2k47 s LEU 72 N -6.87 6.60 0.00 2.23 2.01 -1.26 -5.03 118.68 116.36 2k47 s LEU 72 Ca -0.17 -2.86 0.25 0.00 0.01 0.00 0.00 54.13 51.36 2k47 s LEU 72 Cb 0.02 -2.22 0.30 0.00 0.01 0.00 0.00 46.19 44.31 2k47 s LEU 72 CO 0.25 -0.53 1.32 -0.62 1.01 0.00 0.00 176.35 177.78