#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 3.82 0.28 -3.46 1.11 -1.26 -4.89 116.67 112.28 2k47 s ASP 2 Ca 0.00 -1.53 0.07 0.00 0.18 0.00 0.00 52.55 51.27 2k47 s ASP 2 Cb 0.00 0.13 0.41 0.00 1.07 0.00 0.00 42.92 44.53 2k47 s ASP 2 CO 0.00 -0.69 1.66 1.62 1.18 0.00 0.00 175.17 178.94 2k47 h VAL 3 N 1.59 1.34 0.22 -1.27 3.04 -0.16 -1.45 116.25 119.56 2k47 h VAL 3 Ca -0.43 -1.69 -0.31 0.00 -1.01 0.00 0.00 66.70 63.26 2k47 h VAL 3 Cb 1.28 1.82 0.03 0.00 -2.01 0.00 0.00 31.29 32.41 2k47 h VAL 3 CO 0.75 0.50 -1.38 -0.25 -1.01 0.00 0.00 177.57 176.18 2k47 h TRP 4 N 0.16 0.86 0.29 3.17 2.91 -1.90 -3.35 115.95 118.08 2k47 h TRP 4 Ca 0.01 -0.63 -0.01 0.00 1.13 0.00 0.00 58.89 59.38 2k47 h TRP 4 Cb 0.91 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 2k47 h TRP 4 CO 0.01 1.53 -0.14 1.03 -1.03 0.00 0.00 178.44 179.84 2k47 h SER 5 N 0.02 -0.33 -3.36 2.65 0.87 -1.93 -3.35 113.55 108.12 2k47 h SER 5 Ca -0.25 -0.04 -0.76 0.00 -1.23 0.00 0.00 61.79 59.52 2k47 h SER 5 Cb 2.05 0.08 -0.23 0.00 -0.44 0.00 0.00 62.40 63.86 2k47 h SER 5 CO 0.24 -0.17 0.20 -0.76 -0.53 0.00 0.00 176.83 175.80 2k47 s LEU 6 N -10.00 6.21 -0.04 2.23 2.01 -0.55 -4.78 118.68 113.76 2k47 s LEU 6 Ca -0.15 -2.31 0.06 0.00 0.01 0.00 0.00 54.13 51.74 2k47 s LEU 6 Cb 0.04 -2.26 0.09 0.00 0.01 0.00 0.00 46.19 44.07 2k47 s LEU 6 CO 0.63 -0.77 0.98 -1.20 1.01 0.00 0.00 176.35 177.01 2k47 n SER 7 N 4.89 1.71 -2.02 2.29 7.64 -1.26 -4.67 113.62 122.21 2k47 n SER 7 Ca 0.09 -2.21 -0.24 0.00 1.01 0.00 0.00 58.87 57.53 2k47 n SER 7 Cb 0.46 -0.14 0.13 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.68 2.48 -3.96 1.43 4.76 -1.26 0.10 118.16 121.03 2k47 n LYS 8 Ca 0.05 -3.29 -0.31 0.00 -2.87 0.00 0.00 58.31 51.89 2k47 n LYS 8 Cb 0.43 -2.15 -0.15 0.00 -1.84 0.00 0.00 35.03 31.32 2k47 n LYS 8 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k47 s THR 9 N -3.99 1.80 0.64 -0.18 -1.32 -1.26 -5.03 115.64 106.30 2k47 s THR 9 Ca 0.56 -1.70 -0.04 0.00 -1.21 0.00 0.00 61.69 59.31 2k47 s THR 9 Cb 0.47 -2.16 0.05 0.00 -1.51 0.00 0.00 72.50 69.34 2k47 s THR 9 CO 0.03 -0.34 0.92 -0.94 -2.21 0.00 0.00 174.62 172.08 2k47 s SER 10 N 1.21 5.04 0.03 8.08 1.04 -1.26 -4.32 113.70 123.52 2k47 s SER 10 Ca 0.01 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.77 2k47 s SER 10 Cb -0.19 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 2k47 s SER 10 CO -0.09 -1.39 -0.08 -0.32 0.98 0.00 0.00 173.24 172.34 2k47 s MET 11 N -5.05 0.53 -0.14 4.02 1.75 -1.14 -4.94 119.30 114.34 2k47 s MET 11 Ca 0.59 -0.59 -0.22 0.00 -1.25 0.00 0.00 55.69 54.21 2k47 s MET 11 Cb -0.11 -0.39 -0.03 0.00 2.84 0.00 0.00 34.83 37.15 2k47 s MET 11 CO 0.42 0.09 0.68 0.99 -0.65 0.00 0.00 175.02 176.55 2k47 s THR 12 N -0.96 5.02 0.02 10.11 2.01 -1.26 -3.64 115.64 126.94 2k47 s THR 12 Ca -0.05 1.34 -0.13 0.00 0.31 0.00 0.00 61.69 63.15 2k47 s THR 12 Cb -0.07 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 2k47 s THR 12 CO 0.00 0.16 0.40 -0.36 -0.69 0.00 0.00 174.62 174.13 2k47 s PHE 13 N 1.46 3.68 -0.25 4.92 0.08 0.19 -4.94 117.98 123.11 2k47 s PHE 13 Ca 0.33 0.92 0.01 0.00 0.12 0.00 0.00 56.93 58.31 2k47 s PHE 13 Cb -0.17 -2.24 0.07 0.00 -0.57 0.00 0.00 43.02 40.11 2k47 s PHE 13 CO 0.13 0.61 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.70 2k47 s GLN 14 N -1.32 1.49 0.51 0.44 0.74 -1.26 -3.02 119.66 117.24 2k47 s GLN 14 Ca 0.26 -1.08 -0.23 0.00 0.05 0.00 0.00 55.36 54.36 2k47 s GLN 14 Cb -0.16 -2.58 -0.06 0.00 1.10 0.00 0.00 33.01 31.31 2k47 s GLN 14 CO 0.14 -0.67 1.35 -2.14 -0.55 0.00 0.00 175.29 173.42 2k47 s PRO 15 N 1.38 3.35 0.14 1.67 0.02 -1.26 -1.11 135.00 139.18 2k47 s PRO 15 Ca -0.02 2.23 -0.09 0.00 0.02 0.00 0.00 61.00 63.13 2k47 s PRO 15 Cb -0.19 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 2k47 s PRO 15 CO -0.08 -1.02 1.42 0.87 -0.33 0.00 0.00 177.00 177.85 2k47 h LYS 16 N 1.75 0.77 -6.20 5.54 1.79 -1.14 -3.46 116.57 115.62 2k47 h LYS 16 Ca -0.51 -0.51 -0.49 0.00 -2.18 0.00 0.00 60.65 56.96 2k47 h LYS 16 Cb 1.29 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.97 2k47 h LYS 16 CO 0.59 1.14 -0.40 0.15 -1.08 0.00 0.00 179.45 179.84 2k47 s LYS 17 N -4.03 2.63 0.21 3.15 -0.14 -1.26 -5.04 119.74 115.26 2k47 s LYS 17 Ca -0.10 -1.42 0.04 0.00 -1.36 0.00 0.00 55.97 53.14 2k47 s LYS 17 Cb 0.10 -2.44 0.15 0.00 -1.68 0.00 0.00 37.83 33.97 2k47 s LYS 17 CO 0.88 -0.07 1.49 0.00 -0.76 0.00 0.00 175.35 176.89 2k47 h ALA 18 N 1.11 0.72 -0.38 5.17 0.00 -2.01 -3.26 119.26 120.61 2k47 h ALA 18 Ca -0.43 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 53.93 2k47 h ALA 18 Cb 1.26 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2k47 h ALA 18 CO 0.57 0.81 0.04 0.77 0.00 0.00 0.00 179.25 181.45 2k47 h SER 19 N 0.14 -0.06 -4.11 0.00 0.02 -1.98 -3.42 113.55 104.13 2k47 h SER 19 Ca -0.02 0.07 -0.50 0.00 -0.84 0.00 0.00 61.79 60.50 2k47 h SER 19 Cb 1.27 0.12 0.08 0.00 0.14 0.00 0.00 62.40 64.00 2k47 h SER 19 CO 0.11 0.00 0.42 -0.76 -1.14 0.00 0.00 176.83 175.46 2k47 s LEU 20 N -10.43 3.68 -0.03 5.07 1.43 -1.23 -5.05 118.68 112.11 2k47 s LEU 20 Ca -0.13 2.14 0.04 0.00 -1.03 0.00 0.00 54.13 55.15 2k47 s LEU 20 Cb 0.13 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.75 2k47 s LEU 20 CO 0.71 -1.29 -0.15 -1.10 0.23 0.00 0.00 176.35 174.74 2k47 s GLN 21 N -3.44 2.41 1.14 1.70 1.11 -1.26 -4.79 119.66 116.52 2k47 s GLN 21 Ca 0.72 -0.76 -0.16 0.00 0.01 0.00 0.00 55.36 55.17 2k47 s GLN 21 Cb -0.23 -2.33 0.19 0.00 -1.01 0.00 0.00 33.01 29.63 2k47 s GLN 21 CO 0.30 0.61 0.51 -2.30 0.01 0.00 0.00 175.29 174.41 2k47 n PRO 22 N 2.17 -1.94 -3.90 2.91 -0.02 -1.26 -4.76 135.00 128.20 2k47 n PRO 22 Ca -0.17 -0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 60.68 2k47 n PRO 22 Cb 0.52 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 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 -4.13 1.64 -0.41 2.45 2.96 -1.17 -4.95 118.68 115.08 2k47 s LEU 23 Ca 0.62 -0.65 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 2k47 s LEU 23 Cb -0.19 0.83 0.17 0.00 0.50 0.00 0.00 46.19 47.50 2k47 s LEU 23 CO 0.66 -0.65 0.48 -0.89 -1.32 0.00 0.00 176.35 174.62 2k47 s THR 24 N -3.51 -0.49 0.11 3.68 2.01 -1.26 0.53 115.64 116.72 2k47 s THR 24 Ca 0.02 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.09 2k47 s THR 24 Cb 0.04 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 2k47 s THR 24 CO -0.09 -0.46 -0.14 -0.51 -0.69 0.00 0.00 174.62 172.74 2k47 s ILE 25 N 1.26 1.26 0.47 1.82 1.10 -1.24 -4.88 121.20 121.00 2k47 s ILE 25 Ca 0.21 -1.66 0.05 0.00 -0.51 0.00 0.00 60.65 58.74 2k47 s ILE 25 Cb -0.09 -1.46 -0.02 0.00 0.15 0.00 0.00 42.46 41.04 2k47 s ILE 25 CO -0.06 -0.41 0.19 -0.55 -2.11 0.00 0.00 174.94 172.00 2k47 s SER 26 N -2.37 4.38 0.04 4.50 0.15 -1.26 -2.88 113.70 116.26 2k47 s SER 26 Ca 0.07 -1.27 -0.17 0.00 0.70 0.00 0.00 55.95 55.28 2k47 s SER 26 Cb -0.05 -0.01 -0.08 0.00 -1.71 0.00 0.00 66.02 64.16 2k47 s SER 26 CO 0.03 -0.76 1.26 -0.07 1.20 0.00 0.00 173.24 174.90 2k47 h LEU 27 N 1.25 -0.65 -1.28 3.45 3.38 -1.74 -0.04 115.31 119.69 2k47 h LEU 27 Ca -0.42 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2k47 h LEU 27 Cb 1.28 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2k47 h LEU 27 CO 0.68 -0.33 0.27 -0.78 0.09 0.00 0.00 178.44 178.38 2k47 h ASP 28 N -0.50 0.69 0.86 -0.43 3.58 -0.67 -1.39 116.42 118.55 2k47 h ASP 28 Ca -0.03 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2k47 h ASP 28 Cb 0.43 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2k47 h ASP 28 CO -0.01 0.58 0.00 1.21 -2.88 0.00 0.00 179.24 178.14 2k47 n GLU 29 N -4.38 0.10 0.00 0.28 4.07 -1.16 -3.26 120.64 116.29 2k47 n GLU 29 Ca 0.05 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 2k47 n GLU 29 Cb 0.12 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 2k47 n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2k47 n LEU 30 N -1.83 1.98 -4.04 4.31 7.94 -0.04 -4.80 117.00 120.52 2k47 n LEU 30 Ca 0.04 -1.98 -0.20 0.00 -1.11 0.00 0.00 56.01 52.77 2k47 n LEU 30 Cb 0.27 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.07 2k47 n LEU 30 CO 0.21 0.49 -0.44 -0.36 -1.11 0.00 0.00 177.39 176.19 2k47 s PHE 31 N -0.98 0.94 -0.13 1.96 0.08 -0.76 -4.96 117.98 114.13 2k47 s PHE 31 Ca 0.00 -0.19 0.19 0.00 0.12 0.00 0.00 56.93 57.05 2k47 s PHE 31 Cb 0.00 -0.62 0.44 0.00 -0.57 0.00 0.00 43.02 42.27 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 2.94 1.66 -3.64 1.36 7.64 -1.26 -4.85 113.62 117.47 2k47 n SER 32 Ca -0.15 -2.75 -0.06 0.00 1.01 0.00 0.00 58.87 56.92 2k47 n SER 32 Cb 0.56 -0.40 -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 -2.78 -0.63 0.18 6.43 0.15 -1.26 -5.03 113.70 110.76 2k47 s SER 33 Ca 0.36 1.06 -0.10 0.00 0.70 0.00 0.00 55.95 57.97 2k47 s SER 33 Cb 0.38 1.21 0.08 0.00 -1.71 0.00 0.00 66.02 65.98 2k47 s SER 33 CO -0.10 -0.17 1.69 0.08 1.20 0.00 0.00 173.24 175.93 2k47 h ARG 34 N 5.88 1.03 -0.31 5.44 0.11 -2.00 -2.54 114.38 121.99 2k47 h ARG 34 Ca -0.29 -0.26 -0.10 0.00 0.10 0.00 0.00 59.98 59.43 2k47 h ARG 34 Cb 1.20 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 2k47 h ARG 34 CO 0.16 0.94 -0.24 0.78 0.10 0.00 0.00 179.97 181.71 2k47 h GLY 35 N 0.95 0.65 0.94 0.08 0.00 -2.00 -2.81 103.07 100.88 2k47 h GLY 35 Ca 0.20 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 47.01 2k47 h GLY 35 CO 0.01 0.49 0.59 -2.09 0.00 0.00 0.00 176.54 175.54 2k47 h GLU 36 N 0.53 1.14 -0.67 4.80 4.57 -1.90 -1.87 114.58 121.18 2k47 h GLU 36 Ca 0.08 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2k47 h GLU 36 Cb 0.70 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 2k47 h GLU 36 CO 0.05 0.75 0.40 0.35 -1.18 0.00 0.00 179.01 179.38 2k47 h PHE 37 N 1.17 0.74 -0.11 0.92 3.57 -1.21 -1.21 116.94 120.82 2k47 h PHE 37 Ca 0.34 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.90 2k47 h PHE 37 Cb -0.07 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 2k47 h PHE 37 CO -0.01 0.40 -0.10 0.82 -2.23 0.00 0.00 178.31 177.19 2k47 h ILE 38 N 0.77 0.72 0.31 1.41 1.08 -1.20 -1.64 117.51 118.95 2k47 h ILE 38 Ca 0.28 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 2k47 h ILE 38 Cb 0.08 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2k47 h ILE 38 CO -0.13 0.00 -0.17 0.28 -0.69 0.00 0.00 178.15 177.44 2k47 h SER 39 N -0.12 -0.40 -0.98 1.72 0.02 -0.96 -3.08 113.55 109.74 2k47 h SER 39 Ca 0.07 0.02 0.36 0.00 -0.84 0.00 0.00 61.79 61.40 2k47 h SER 39 Cb 0.23 0.11 -0.12 0.00 0.14 0.00 0.00 62.40 62.76 2k47 h SER 39 CO -0.18 -0.27 0.61 1.33 -1.14 0.00 0.00 176.83 177.18 2k47 n VAL 40 N -3.26 -0.23 0.00 2.27 0.24 -0.50 -4.62 118.33 112.23 2k47 n VAL 40 Ca -0.05 1.43 0.00 0.00 -2.04 0.00 0.00 64.34 63.68 2k47 n VAL 40 Cb 0.18 -2.34 0.00 0.00 -1.47 0.00 0.00 33.84 30.21 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 -1.35 0.50 3.22 7.63 0.00 -1.12 -4.75 105.19 109.32 2k47 n GLY 41 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.43 1.88 0.00 -0.02 0.00 -0.63 -4.96 107.32 103.15 2k47 s GLY 42 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.73 2k47 s GLY 42 CO 0.00 0.85 0.00 1.22 0.00 0.00 0.00 173.10 175.17 2k47 n ASP 43 N 4.75 0.00 0.00 1.64 9.92 -1.26 -4.52 116.55 127.07 2k47 n ASP 43 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 2k47 n ASP 43 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 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 2.94 -1.12 3.43 0.44 0.00 -1.26 -4.89 105.19 104.73 2k47 n GLY 44 Ca 0.00 0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 3.16 0.83 1.61 3.00 -1.26 0.55 118.95 126.14 2k47 s ARG 45 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 55.73 54.54 2k47 s ARG 45 Cb 0.00 -4.33 0.09 0.00 0.00 0.00 0.00 34.95 30.71 2k47 s ARG 45 CO 0.00 -1.75 1.17 1.41 0.00 0.00 0.00 175.30 176.13 2k47 s MET 46 N 3.56 1.79 -0.03 3.54 1.75 -1.26 -4.99 119.30 123.66 2k47 s MET 46 Ca 0.21 0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.79 2k47 s MET 46 Cb -0.17 -1.93 -0.01 0.00 2.84 0.00 0.00 34.83 35.57 2k47 s MET 46 CO 0.07 -1.72 -0.04 0.45 -0.65 0.00 0.00 175.02 173.12 2k47 n SER 47 N -3.42 0.40 0.00 1.11 2.88 -1.26 -5.01 113.62 108.32 2k47 n SER 47 Ca 0.08 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2k47 n SER 47 Cb 0.61 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.80 0.00 0.09 0.66 -0.00 -1.26 -4.94 115.22 106.98 2k47 n HIS 48 Ca -0.02 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.14 2k47 n HIS 48 Cb 0.07 0.00 -0.05 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 -0.04 1.57 1.79 -1.97 -3.36 116.57 114.56 2k47 h LYS 49 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 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 0.67 0.00 0.93 -1.08 0.00 0.00 179.45 179.97 2k47 h GLU 50 N 0.00 0.07 0.07 3.15 5.08 -1.98 -2.50 114.58 118.48 2k47 h GLU 50 Ca -0.04 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2k47 h GLU 50 Cb 1.58 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.77 2k47 h GLU 50 CO 0.09 0.33 -0.50 0.00 -1.00 0.00 0.00 179.01 177.92 2k47 h ALA 51 N 0.74 -0.90 -0.37 3.43 0.00 -1.94 -2.30 119.26 117.92 2k47 h ALA 51 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k47 h ALA 51 Cb 0.29 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2k47 h ALA 51 CO 0.00 -1.08 0.17 0.82 0.00 0.00 0.00 179.25 179.16 2k47 h ILE 52 N -0.70 0.95 -0.69 0.00 1.08 -1.72 -2.44 117.51 113.98 2k47 h ILE 52 Ca 0.01 -0.12 0.20 0.00 -0.39 0.00 0.00 64.86 64.56 2k47 h ILE 52 Cb 0.73 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 2k47 h ILE 52 CO -0.31 0.06 0.62 0.25 -0.69 0.00 0.00 178.15 178.08 2k47 h LEU 53 N 0.35 0.00 -2.03 1.44 5.85 -0.95 -0.28 115.31 119.69 2k47 h LEU 53 Ca 0.16 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.01 2k47 h LEU 53 Cb 0.10 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2k47 h LEU 53 CO -0.13 0.00 0.39 -0.07 -0.34 0.00 0.00 178.44 178.29 2k47 h LEU 54 N 0.00 0.00 -0.64 2.25 4.07 -1.07 -2.36 115.31 117.57 2k47 h LEU 54 Ca 0.33 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.41 2k47 h LEU 54 Cb 1.56 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.21 2k47 h LEU 54 CO -0.00 0.00 0.18 1.23 -1.08 0.00 0.00 178.44 178.76 2k47 h GLY 55 N 0.00 0.86 -0.08 0.83 0.00 -1.24 -1.82 103.07 101.63 2k47 h GLY 55 Ca 0.21 -0.06 0.19 0.00 0.00 0.00 0.00 47.33 47.66 2k47 h GLY 55 CO -0.00 -0.10 0.33 1.41 0.00 0.00 0.00 176.54 178.17 2k47 h LEU 56 N 0.32 0.26 -1.30 3.11 3.38 -1.65 0.17 115.31 119.60 2k47 h LEU 56 Ca 0.34 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.40 2k47 h LEU 56 Cb 0.50 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k47 h LEU 56 CO -0.39 0.03 -0.06 0.03 0.09 0.00 0.00 178.44 178.14 2k47 h ARG 57 N 0.40 0.40 -0.25 1.13 2.47 -1.50 0.18 114.38 117.22 2k47 h ARG 57 Ca 0.49 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 59.07 2k47 h ARG 57 Cb 0.86 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.12 2k47 h ARG 57 CO -0.49 0.48 -0.05 -0.92 0.56 0.00 0.00 179.97 179.55 2k47 h TYR 58 N 0.39 0.52 -0.00 3.04 3.20 -0.55 -3.05 116.97 120.52 2k47 h TYR 58 Ca 0.08 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2k47 h TYR 58 Cb 0.35 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2k47 h TYR 58 CO 0.01 0.68 -0.12 1.63 -1.64 0.00 0.00 178.16 178.73 2k47 n LYS 59 N -4.57 0.04 -2.70 1.82 4.76 -0.64 -4.98 118.16 111.89 2k47 n LYS 59 Ca -0.04 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 2k47 n LYS 59 Cb 0.29 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.47 -1.09 -0.80 1.97 4.76 0.56 -4.99 118.16 117.10 2k47 n LYS 60 Ca 0.07 1.19 -0.04 0.00 -2.87 0.00 0.00 58.31 56.66 2k47 n LYS 60 Cb 0.33 -4.74 -0.04 0.00 -1.84 0.00 0.00 35.03 28.74 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 -1.73 -0.60 0.25 -0.35 -0.00 -0.72 -4.98 117.00 108.87 2k47 n LEU 61 Ca -0.01 -1.20 0.08 0.00 -0.00 0.00 0.00 56.01 54.88 2k47 n LEU 61 Cb 0.51 0.00 0.60 0.00 -0.00 0.00 0.00 43.42 44.54 2k47 n LEU 61 CO 0.41 1.10 1.00 0.22 -0.00 0.00 0.00 177.39 180.11 2k47 h TYR 62 N 0.00 0.00 0.38 1.47 3.20 -1.95 -1.11 116.97 118.97 2k47 h TYR 62 Ca -0.34 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 2k47 h TYR 62 Cb 1.04 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 2k47 h TYR 62 CO -0.11 0.08 -0.42 -2.95 -1.64 0.00 0.00 178.16 173.12 2k47 h ASN 63 N 0.00 -1.15 0.27 -2.11 7.08 -1.94 -3.14 115.58 114.59 2k47 h ASN 63 Ca -0.00 0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 2k47 h ASN 63 Cb 0.15 0.39 0.00 0.00 -2.08 0.00 0.00 38.32 36.78 2k47 h ASN 63 CO 0.01 -0.54 -0.87 0.00 -2.08 0.00 0.00 177.43 173.96 2k47 n GLN 64 N -4.92 0.09 -0.02 4.14 3.00 -1.22 -4.28 117.38 114.17 2k47 n GLN 64 Ca -0.10 -0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 2k47 n GLN 64 Cb 0.37 -1.52 0.05 0.00 0.00 0.00 0.00 30.24 29.14 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 2.86 0.69 -0.25 -1.58 0.00 -1.24 0.16 119.26 119.91 2k47 h ALA 65 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2k47 h ALA 65 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k47 h ALA 65 CO 0.00 0.68 -0.03 -0.09 0.00 0.00 0.00 179.25 179.80 2k47 h ARG 66 N 0.48 0.39 0.06 0.00 2.43 -1.73 -2.37 114.38 113.65 2k47 h ARG 66 Ca 0.02 -0.08 -0.34 0.00 -0.81 0.00 0.00 59.98 58.77 2k47 h ARG 66 Cb 1.05 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 2k47 h ARG 66 CO 0.10 0.44 -1.98 1.55 -1.51 0.00 0.00 179.97 178.57 2k47 n VAL 67 N -4.30 1.67 -0.23 0.20 3.14 -1.15 -4.19 118.33 113.46 2k47 n VAL 67 Ca 0.01 -0.71 -0.06 0.00 -2.96 0.00 0.00 64.34 60.62 2k47 n VAL 67 Cb 0.23 -1.39 0.04 0.00 -1.06 0.00 0.00 33.84 31.66 2k47 n VAL 67 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2k47 h LYS 68 N 0.04 0.88 -6.29 1.45 1.57 -0.63 -3.44 116.57 110.15 2k47 h LYS 68 Ca -0.40 -0.08 -0.58 0.00 -1.87 0.00 0.00 60.65 57.72 2k47 h LYS 68 Cb 2.03 -0.19 -0.11 0.00 0.08 0.00 0.00 32.23 34.05 2k47 h LYS 68 CO 0.06 0.63 -0.65 0.71 -0.57 0.00 0.00 179.45 179.63 2k47 s TYR 69 N -6.00 2.77 -1.21 -1.35 1.51 -0.90 -0.57 117.35 111.60 2k47 s TYR 69 Ca -0.13 -0.18 -0.20 0.00 -1.01 0.00 0.00 57.07 55.55 2k47 s TYR 69 Cb 0.14 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.72 2k47 s TYR 69 CO 0.77 0.56 1.74 0.45 -1.11 0.00 0.00 175.55 177.96 2k47 s SER 70 N -3.25 6.35 -0.01 2.29 0.15 -0.27 -4.60 113.70 114.36 2k47 s SER 70 Ca 0.29 -2.05 -0.03 0.00 0.70 0.00 0.00 55.95 54.86 2k47 s SER 70 Cb -0.08 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2k47 s SER 70 CO 0.19 -1.67 -0.06 0.18 1.20 0.00 0.00 173.24 173.08 2k47 n LEU 71 N 9.91 0.53 -2.02 3.45 4.32 -1.26 -4.66 117.00 127.28 2k47 n LEU 71 Ca 0.45 0.08 -0.21 0.00 -0.02 0.00 0.00 56.01 56.32 2k47 n LEU 71 Cb 0.47 -0.35 0.03 0.00 -1.62 0.00 0.00 43.42 41.95 2k47 n LEU 71 CO 0.73 -0.50 0.17 0.18 -1.22 0.00 0.00 177.39 176.74 2k47 n LEU 72 N -3.01 4.57 -0.86 2.23 7.99 -1.26 -5.05 117.00 121.60 2k47 n LEU 72 Ca -0.02 -4.57 0.12 0.00 -0.01 0.00 0.00 56.01 51.53 2k47 n LEU 72 Cb 0.09 -0.29 0.19 0.00 -0.11 0.00 0.00 43.42 43.30 2k47 n LEU 72 CO 0.04 1.99 0.68 -0.62 -1.51 0.00 0.00 177.39 177.97