#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 5.27 0.37 -3.46 2.15 -1.26 -4.81 116.67 114.92 2k47 s ASP 2 Ca 0.00 -0.27 0.04 0.00 0.43 0.00 0.00 52.55 52.75 2k47 s ASP 2 Cb 0.00 -1.28 0.70 0.00 -0.30 0.00 0.00 42.92 42.03 2k47 s ASP 2 CO 0.00 0.03 2.00 1.62 -0.17 0.00 0.00 175.17 178.66 2k47 h VAL 3 N 1.95 1.15 0.07 1.11 3.04 -0.21 -1.37 116.25 121.99 2k47 h VAL 3 Ca -0.47 -0.34 -0.26 0.00 -1.01 0.00 0.00 66.70 64.62 2k47 h VAL 3 Cb 1.22 0.42 0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2k47 h VAL 3 CO 0.61 0.16 -1.11 -0.25 -1.01 0.00 0.00 177.57 175.96 2k47 h TRP 4 N 0.72 0.74 0.31 3.17 2.91 -1.95 -3.32 115.95 118.53 2k47 h TRP 4 Ca 0.19 -0.45 -0.01 0.00 1.13 0.00 0.00 58.89 59.74 2k47 h TRP 4 Cb -0.02 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 2k47 h TRP 4 CO 0.00 1.30 -0.15 1.03 -1.03 0.00 0.00 178.44 179.60 2k47 h SER 5 N 0.22 -0.35 -3.27 2.65 0.87 -1.83 -3.34 113.55 108.51 2k47 h SER 5 Ca -0.13 -0.02 -0.75 0.00 -1.23 0.00 0.00 61.79 59.65 2k47 h SER 5 Cb 1.78 0.09 -0.23 0.00 -0.44 0.00 0.00 62.40 63.60 2k47 h SER 5 CO 0.20 -0.20 0.42 -0.76 -0.53 0.00 0.00 176.83 175.95 2k47 s LEU 6 N -10.03 6.10 0.00 2.23 1.43 -0.56 -4.75 118.68 113.10 2k47 s LEU 6 Ca -0.15 -2.54 0.00 0.00 -1.03 0.00 0.00 54.13 50.41 2k47 s LEU 6 Cb 0.04 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2k47 s LEU 6 CO 0.63 -0.73 0.86 -1.20 0.23 0.00 0.00 176.35 176.15 2k47 n SER 7 N 4.83 1.53 -0.06 2.29 7.64 -1.26 -4.76 113.62 123.83 2k47 n SER 7 Ca 0.19 -1.74 -0.22 0.00 1.01 0.00 0.00 58.87 58.11 2k47 n SER 7 Cb 0.47 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 2k47 n SER 7 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2k47 h LYS 8 N 0.00 0.10 -6.02 1.43 1.79 -1.93 0.71 116.57 112.66 2k47 h LYS 8 Ca 0.00 -0.17 -0.60 0.00 -2.18 0.00 0.00 60.65 57.69 2k47 h LYS 8 Cb 0.57 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2k47 h LYS 8 CO 0.00 1.08 1.45 -2.37 -1.08 0.00 0.00 179.45 178.53 2k47 n THR 9 N -4.12 0.35 -2.58 -0.16 5.66 -1.26 -4.69 114.28 107.47 2k47 n THR 9 Ca -0.31 -0.39 -0.23 0.00 -3.05 0.00 0.00 64.05 60.07 2k47 n THR 9 Cb 0.80 -2.34 0.10 0.00 -1.55 0.00 0.00 70.33 67.35 2k47 n THR 9 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2k47 s SER 10 N 7.73 4.39 0.01 1.09 1.04 -1.26 -4.64 113.70 122.06 2k47 s SER 10 Ca 1.02 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 57.12 2k47 s SER 10 Cb -0.46 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 2k47 s SER 10 CO 0.39 -1.83 -0.05 -0.32 0.98 0.00 0.00 173.24 172.41 2k47 s MET 11 N -5.13 0.38 -0.20 4.02 1.75 -1.16 -4.93 119.30 114.03 2k47 s MET 11 Ca 0.66 -0.35 -0.15 0.00 -1.25 0.00 0.00 55.69 54.59 2k47 s MET 11 Cb -0.06 -0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.31 2k47 s MET 11 CO 0.44 0.06 0.37 0.99 -0.65 0.00 0.00 175.02 176.23 2k47 s THR 12 N -0.57 5.22 0.05 10.11 2.01 -1.26 -3.20 115.64 128.00 2k47 s THR 12 Ca -0.03 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 2k47 s THR 12 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2k47 s THR 12 CO -0.00 0.27 0.20 -0.36 -0.69 0.00 0.00 174.62 174.04 2k47 s PHE 13 N 1.21 3.50 -0.14 4.92 0.08 0.17 -4.93 117.98 122.79 2k47 s PHE 13 Ca 0.18 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.49 2k47 s PHE 13 Cb -0.14 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2k47 s PHE 13 CO 0.07 0.59 -0.15 -1.14 -0.10 0.00 0.00 175.22 174.49 2k47 s GLN 14 N -2.41 3.25 0.58 0.44 0.74 -1.26 -2.48 119.66 118.52 2k47 s GLN 14 Ca 0.33 -0.74 -0.18 0.00 0.05 0.00 0.00 55.36 54.81 2k47 s GLN 14 Cb -0.13 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 2k47 s GLN 14 CO 0.26 0.08 1.15 -1.25 -0.55 0.00 0.00 175.29 174.98 2k47 s PRO 15 N 0.65 3.14 0.04 1.67 0.04 -1.26 -1.48 135.00 137.79 2k47 s PRO 15 Ca -0.08 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 2k47 s PRO 15 Cb -0.16 -1.97 -0.28 0.00 0.04 0.00 0.00 34.50 32.13 2k47 s PRO 15 CO 0.02 -1.03 1.08 0.87 0.04 0.00 0.00 177.00 177.99 2k47 h LYS 16 N 0.88 0.57 -5.96 4.56 1.79 -1.90 -3.45 116.57 113.07 2k47 h LYS 16 Ca -0.49 -0.75 -0.55 0.00 -2.18 0.00 0.00 60.65 56.67 2k47 h LYS 16 Cb 1.27 0.25 -0.07 0.00 -1.58 0.00 0.00 32.23 32.09 2k47 h LYS 16 CO 0.56 1.33 -0.46 0.15 -1.08 0.00 0.00 179.45 179.95 2k47 s LYS 17 N -2.97 2.30 0.18 3.15 1.02 -1.26 -5.05 119.74 117.11 2k47 s LYS 17 Ca -0.10 -1.79 -0.10 0.00 0.02 0.00 0.00 55.97 54.00 2k47 s LYS 17 Cb 0.05 -2.08 0.08 0.00 -0.52 0.00 0.00 37.83 35.36 2k47 s LYS 17 CO 0.91 -0.16 1.68 0.00 -0.92 0.00 0.00 175.35 176.85 2k47 h ALA 18 N 1.29 0.84 -0.84 5.17 0.00 -2.02 -3.01 119.26 120.69 2k47 h ALA 18 Ca -0.42 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.31 2k47 h ALA 18 Cb 1.26 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2k47 h ALA 18 CO 0.66 0.59 0.50 0.77 0.00 0.00 0.00 179.25 181.77 2k47 h SER 19 N 0.95 0.75 -4.06 0.00 0.02 -2.00 -3.42 113.55 105.80 2k47 h SER 19 Ca 0.19 0.03 -0.50 0.00 -0.84 0.00 0.00 61.79 60.68 2k47 h SER 19 Cb 0.42 -0.12 0.06 0.00 0.14 0.00 0.00 62.40 62.90 2k47 h SER 19 CO 0.01 0.46 0.44 -0.76 -1.14 0.00 0.00 176.83 175.83 2k47 s LEU 20 N -10.24 3.83 0.09 5.07 1.43 -1.14 -5.06 118.68 112.67 2k47 s LEU 20 Ca -0.12 2.16 0.10 0.00 -1.03 0.00 0.00 54.13 55.24 2k47 s LEU 20 Cb 0.19 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 2k47 s LEU 20 CO 0.79 -1.06 -0.26 -1.10 0.23 0.00 0.00 176.35 174.94 2k47 s GLN 21 N -3.12 1.60 0.64 1.70 -0.21 -1.26 -4.73 119.66 114.28 2k47 s GLN 21 Ca 0.69 -1.23 -0.18 0.00 0.02 0.00 0.00 55.36 54.66 2k47 s GLN 21 Cb -0.24 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 2k47 s GLN 21 CO 0.27 0.48 1.29 -1.25 -2.12 0.00 0.00 175.29 173.97 2k47 s PRO 22 N -1.73 2.58 -0.15 2.91 0.04 -1.26 -4.59 135.00 132.80 2k47 s PRO 22 Ca 0.13 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.26 2k47 s PRO 22 Cb -0.10 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.60 2k47 s PRO 22 CO 0.05 -1.58 -0.21 -1.17 0.04 0.00 0.00 177.00 174.13 2k47 s LEU 23 N -4.34 2.07 -0.42 -3.56 0.20 -1.03 -4.90 118.68 106.70 2k47 s LEU 23 Ca 0.82 -0.60 0.02 0.00 0.69 0.00 0.00 54.13 55.07 2k47 s LEU 23 Cb -0.38 -1.42 0.12 0.00 -0.43 0.00 0.00 46.19 44.09 2k47 s LEU 23 CO 0.40 0.05 0.19 -0.89 -0.29 0.00 0.00 176.35 175.81 2k47 s THR 24 N 0.95 1.68 0.07 3.68 2.01 -1.26 0.44 115.64 123.21 2k47 s THR 24 Ca -0.04 -2.48 -0.07 0.00 0.31 0.00 0.00 61.69 59.41 2k47 s THR 24 Cb -0.15 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2k47 s THR 24 CO -0.05 -0.80 0.13 -0.51 -0.69 0.00 0.00 174.62 172.71 2k47 s ILE 25 N 0.52 0.15 0.36 1.82 1.10 -1.20 -4.87 121.20 119.08 2k47 s ILE 25 Ca 0.15 -1.27 0.01 0.00 -0.51 0.00 0.00 60.65 59.03 2k47 s ILE 25 Cb -0.23 -1.26 0.01 0.00 0.15 0.00 0.00 42.46 41.13 2k47 s ILE 25 CO -0.05 -0.70 0.08 -0.24 -2.11 0.00 0.00 174.94 171.91 2k47 n SER 26 N 0.18 2.75 0.47 4.50 2.88 -1.26 -2.96 113.62 120.18 2k47 n SER 26 Ca -0.16 -2.46 -0.20 0.00 -1.33 0.00 0.00 58.87 54.73 2k47 n SER 26 Cb 0.61 0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 64.14 2k47 n SER 26 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2k47 h LEU 27 N 0.00 -1.18 -1.51 2.46 3.38 -1.81 0.13 115.31 116.79 2k47 h LEU 27 Ca -0.27 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2k47 h LEU 27 Cb 0.87 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2k47 h LEU 27 CO 0.45 -0.77 -0.23 -0.78 0.09 0.00 0.00 178.44 177.20 2k47 h ASP 28 N -1.25 0.02 0.75 -0.43 3.58 -1.16 -0.67 116.42 117.26 2k47 h ASP 28 Ca -0.12 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2k47 h ASP 28 Cb 0.98 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2k47 h ASP 28 CO 0.16 0.25 -0.24 -0.62 -2.88 0.00 0.00 179.24 175.91 2k47 n GLU 29 N -4.25 0.02 0.00 0.28 4.71 -1.15 -3.86 120.64 116.39 2k47 n GLU 29 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2k47 n GLU 29 Cb 0.29 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 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 -1.48 1.54 -4.00 -4.62 -0.00 0.45 -4.77 117.00 104.12 2k47 n LEU 30 Ca 0.07 -1.54 -0.18 0.00 -0.00 0.00 0.00 56.01 54.36 2k47 n LEU 30 Cb 0.34 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.61 2k47 n LEU 30 CO 0.31 0.38 -0.42 -0.36 -0.00 0.00 0.00 177.39 177.30 2k47 s PHE 31 N -0.63 0.68 -0.07 1.96 0.08 -0.32 -4.89 117.98 114.79 2k47 s PHE 31 Ca 0.00 -0.13 0.16 0.00 0.12 0.00 0.00 56.93 57.08 2k47 s PHE 31 Cb 0.00 -0.44 0.32 0.00 -0.57 0.00 0.00 43.02 42.33 2k47 s PHE 31 CO 0.00 -0.01 1.14 0.43 -0.10 0.00 0.00 175.22 176.68 2k47 n SER 32 N 2.90 1.11 -3.64 1.36 7.64 -1.26 -4.78 113.62 116.94 2k47 n SER 32 Ca -0.13 -2.58 -0.11 0.00 1.01 0.00 0.00 58.87 57.06 2k47 n SER 32 Cb 0.57 -0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.18 -0.81 0.07 6.43 0.15 -1.26 -5.05 113.70 111.04 2k47 s SER 33 Ca 0.27 1.42 -0.20 0.00 0.70 0.00 0.00 55.95 58.14 2k47 s SER 33 Cb 0.29 1.37 -0.11 0.00 -1.71 0.00 0.00 66.02 65.86 2k47 s SER 33 CO -0.09 -0.24 1.50 0.03 1.20 0.00 0.00 173.24 175.64 2k47 h ARG 34 N 5.97 0.31 -0.61 5.44 3.08 -2.00 -2.23 114.38 124.35 2k47 h ARG 34 Ca -0.30 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 2k47 h ARG 34 Cb 1.19 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2k47 h ARG 34 CO 0.12 0.52 0.22 0.78 -1.07 0.00 0.00 179.97 180.54 2k47 h GLY 35 N 0.06 0.97 1.03 0.04 0.00 -2.00 -2.26 103.07 100.90 2k47 h GLY 35 Ca 0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2k47 h GLY 35 CO 0.01 0.49 0.49 -2.09 0.00 0.00 0.00 176.54 175.44 2k47 h GLU 36 N 0.88 1.26 -0.74 4.80 4.57 -1.95 -2.09 114.58 121.32 2k47 h GLU 36 Ca 0.20 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 2k47 h GLU 36 Cb 0.21 -0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 2k47 h GLU 36 CO -0.01 0.93 0.44 0.35 -1.18 0.00 0.00 179.01 179.53 2k47 h PHE 37 N 1.27 0.81 -0.08 0.92 3.57 -0.83 -0.67 116.94 121.93 2k47 h PHE 37 Ca 0.32 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2k47 h PHE 37 Cb 0.03 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2k47 h PHE 37 CO 0.01 0.41 -0.09 0.82 -2.23 0.00 0.00 178.31 177.24 2k47 h ILE 38 N 0.82 0.76 0.35 1.41 1.08 -1.04 -2.15 117.51 118.73 2k47 h ILE 38 Ca 0.32 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.78 2k47 h ILE 38 Cb 0.15 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 2k47 h ILE 38 CO -0.17 0.00 -0.18 -1.28 -0.69 0.00 0.00 178.15 175.83 2k47 h SER 39 N -0.11 -0.45 -0.79 1.72 0.87 -0.95 -3.09 113.55 110.76 2k47 h SER 39 Ca 0.06 0.02 0.30 0.00 -1.23 0.00 0.00 61.79 60.94 2k47 h SER 39 Cb 0.20 0.12 -0.11 0.00 -0.44 0.00 0.00 62.40 62.17 2k47 h SER 39 CO -0.15 -0.30 0.46 1.33 -0.53 0.00 0.00 176.83 177.64 2k47 n VAL 40 N -3.39 -0.25 0.00 2.23 0.24 -0.31 -4.63 118.33 112.22 2k47 n VAL 40 Ca -0.06 1.34 0.00 0.00 -2.04 0.00 0.00 64.34 63.58 2k47 n VAL 40 Cb 0.20 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.39 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 -1.25 0.52 2.94 7.63 0.00 -1.14 -4.67 105.19 109.22 2k47 n GLY 41 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.55 1.83 0.00 -0.02 0.00 -0.82 -4.93 107.32 102.83 2k47 s GLY 42 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.23 2k47 s GLY 42 CO 0.00 1.12 0.00 1.22 0.00 0.00 0.00 173.10 175.44 2k47 n ASP 43 N 4.15 0.00 0.00 1.64 9.92 -1.26 -4.38 116.55 126.62 2k47 n ASP 43 Ca 0.03 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2k47 n ASP 43 Cb 0.40 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 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 2.41 -1.37 3.43 0.44 0.00 -1.26 -4.99 105.19 103.85 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 -0.82 3.29 0.69 1.61 3.00 -1.26 0.53 118.95 125.98 2k47 s ARG 45 Ca 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 55.73 54.31 2k47 s ARG 45 Cb 0.00 -4.49 0.04 0.00 0.00 0.00 0.00 34.95 30.51 2k47 s ARG 45 CO 0.00 -1.71 1.01 1.41 0.00 0.00 0.00 175.30 176.01 2k47 s MET 46 N 3.08 2.44 0.00 3.54 1.75 -1.26 -4.95 119.30 123.90 2k47 s MET 46 Ca 0.23 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 2k47 s MET 46 Cb -0.14 -2.16 0.00 0.00 2.84 0.00 0.00 34.83 35.37 2k47 s MET 46 CO 0.02 -1.11 0.00 0.43 -0.65 0.00 0.00 175.02 173.70 2k47 n SER 47 N -2.88 0.00 0.01 1.11 7.64 -1.26 -4.91 113.62 113.33 2k47 n SER 47 Ca 0.07 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2k47 n SER 47 Cb 0.59 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2k47 n SER 47 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k47 n HIS 48 N -1.08 -1.46 0.24 1.43 -0.00 -1.26 -4.93 115.22 108.16 2k47 n HIS 48 Ca 0.00 0.10 0.10 0.00 0.46 0.00 0.00 57.72 58.38 2k47 n HIS 48 Cb 0.00 0.49 0.57 0.00 -0.12 0.00 0.00 29.99 30.93 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 0.09 1.57 3.64 -2.00 -3.14 116.57 116.73 2k47 h LYS 49 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k47 h LYS 49 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2k47 h LYS 49 CO 0.00 0.20 -0.04 1.49 -2.27 0.00 0.00 179.45 178.83 2k47 h GLU 50 N 0.00 -0.12 -0.03 1.90 4.57 -1.98 -2.90 114.58 116.01 2k47 h GLU 50 Ca -0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2k47 h GLU 50 Cb 0.54 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 2k47 h GLU 50 CO 0.03 0.25 -0.54 0.00 -1.18 0.00 0.00 179.01 177.57 2k47 h ALA 51 N 0.34 -0.93 -0.48 2.92 0.00 -1.91 -2.10 119.26 117.10 2k47 h ALA 51 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2k47 h ALA 51 Cb 0.43 0.97 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2k47 h ALA 51 CO 0.02 -1.11 0.14 0.82 0.00 0.00 0.00 179.25 179.12 2k47 h ILE 52 N -0.65 0.79 -0.68 0.00 1.08 -1.67 -2.11 117.51 114.26 2k47 h ILE 52 Ca 0.02 -0.10 0.20 0.00 -0.39 0.00 0.00 64.86 64.58 2k47 h ILE 52 Cb 0.71 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 2k47 h ILE 52 CO -0.38 0.05 0.59 0.25 -0.69 0.00 0.00 178.15 177.97 2k47 h LEU 53 N 0.29 0.00 -1.95 1.44 5.85 -1.16 -0.41 115.31 119.37 2k47 h LEU 53 Ca 0.24 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.15 2k47 h LEU 53 Cb 0.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2k47 h LEU 53 CO -0.27 0.00 0.50 -0.07 -0.34 0.00 0.00 178.44 178.25 2k47 h LEU 54 N 0.00 0.05 -0.70 2.25 4.07 -1.15 -2.36 115.31 117.47 2k47 h LEU 54 Ca 0.32 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.44 2k47 h LEU 54 Cb 1.50 -0.01 -0.11 0.00 1.08 0.00 0.00 40.66 43.12 2k47 h LEU 54 CO -0.00 0.02 0.11 1.23 -1.08 0.00 0.00 178.44 178.72 2k47 h GLY 55 N 0.05 0.89 -0.19 0.83 0.00 -1.26 -1.83 103.07 101.55 2k47 h GLY 55 Ca 0.33 0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.80 2k47 h GLY 55 CO -0.02 -0.21 -0.15 1.41 0.00 0.00 0.00 176.54 177.57 2k47 h LEU 56 N 0.21 -0.56 -1.28 3.11 3.38 -1.65 0.96 115.31 119.48 2k47 h LEU 56 Ca 0.38 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.57 2k47 h LEU 56 Cb 0.65 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2k47 h LEU 56 CO -0.53 -0.20 0.50 0.03 0.09 0.00 0.00 178.44 178.34 2k47 h ARG 57 N -0.00 0.91 -0.07 1.13 2.47 -1.51 0.17 114.38 117.47 2k47 h ARG 57 Ca 0.28 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2k47 h ARG 57 Cb 0.44 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2k47 h ARG 57 CO -0.61 0.60 0.02 -0.92 0.56 0.00 0.00 179.97 179.62 2k47 h TYR 58 N 0.94 0.12 0.00 3.04 3.20 -0.68 -2.74 116.97 120.84 2k47 h TYR 58 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2k47 h TYR 58 Cb 0.03 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2k47 h TYR 58 CO -0.00 0.28 0.00 1.63 -1.64 0.00 0.00 178.16 178.43 2k47 n LYS 59 N -4.92 0.03 -2.57 1.82 4.76 -0.34 -4.94 118.16 111.99 2k47 n LYS 59 Ca -0.06 0.11 -0.04 0.00 -2.87 0.00 0.00 58.31 55.45 2k47 n LYS 59 Cb 0.13 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.48 -1.09 -0.71 1.97 4.76 0.50 -4.99 118.16 117.12 2k47 n LYS 60 Ca 0.06 0.95 -0.03 0.00 -2.87 0.00 0.00 58.31 56.42 2k47 n LYS 60 Cb 0.25 -4.33 -0.03 0.00 -1.84 0.00 0.00 35.03 29.08 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 -1.92 -0.47 0.29 -0.35 -0.00 -0.71 -4.98 117.00 108.87 2k47 n LEU 61 Ca -0.02 -0.99 0.17 0.00 -0.00 0.00 0.00 56.01 55.17 2k47 n LEU 61 Cb 0.53 0.00 0.89 0.00 -0.00 0.00 0.00 43.42 44.84 2k47 n LEU 61 CO 0.36 1.00 1.06 0.22 -0.00 0.00 0.00 177.39 180.03 2k47 h TYR 62 N 0.00 0.00 0.61 1.47 3.20 -1.92 -0.37 116.97 119.96 2k47 h TYR 62 Ca -0.27 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 2k47 h TYR 62 Cb 0.93 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.20 2k47 h TYR 62 CO -0.11 0.05 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.20 2k47 h ASN 63 N 0.00 -0.69 0.36 -2.11 -0.73 -1.93 -3.29 115.58 107.18 2k47 h ASN 63 Ca -0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2k47 h ASN 63 Cb 0.24 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.01 2k47 h ASN 63 CO 0.01 -0.42 -0.81 1.67 -0.37 0.00 0.00 177.43 177.51 2k47 n GLN 64 N -4.62 0.10 -0.17 6.67 7.27 -1.22 -4.26 117.38 121.16 2k47 n GLN 64 Ca -0.10 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.86 2k47 n GLN 64 Cb 0.32 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.44 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 2.83 0.69 -0.06 1.69 0.00 -1.19 0.28 119.26 123.51 2k47 h ALA 65 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2k47 h ALA 65 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k47 h ALA 65 CO 0.00 0.67 -0.39 -0.09 0.00 0.00 0.00 179.25 179.44 2k47 h ARG 66 N 0.87 0.12 0.12 0.00 2.43 -1.74 -2.52 114.38 113.67 2k47 h ARG 66 Ca 0.12 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.88 2k47 h ARG 66 Cb 0.78 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2k47 h ARG 66 CO 0.06 0.50 -1.89 -0.39 -1.51 0.00 0.00 179.97 176.74 2k47 h VAL 67 N 0.10 0.70 -0.79 0.20 -1.51 -1.72 -3.38 116.25 109.85 2k47 h VAL 67 Ca 0.01 -2.35 -0.02 0.00 -1.23 0.00 0.00 66.70 63.11 2k47 h VAL 67 Cb 0.74 2.52 -0.04 0.00 -2.13 0.00 0.00 31.29 32.39 2k47 h VAL 67 CO 0.06 0.85 0.41 0.50 -1.23 0.00 0.00 177.57 178.16 2k47 h LYS 68 N -0.02 1.11 -6.16 5.19 3.64 -0.48 -3.44 116.57 116.41 2k47 h LYS 68 Ca -0.41 -0.13 -0.56 0.00 -1.27 0.00 0.00 60.65 58.28 2k47 h LYS 68 Cb 1.98 -0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 33.49 2k47 h LYS 68 CO 0.07 0.83 -0.63 0.71 -2.27 0.00 0.00 179.45 178.16 2k47 s TYR 69 N -5.70 2.66 -1.08 1.91 1.51 -0.95 -3.42 117.35 112.28 2k47 s TYR 69 Ca -0.12 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.46 2k47 s TYR 69 Cb 0.17 -1.30 0.09 0.00 -0.11 0.00 0.00 41.96 40.81 2k47 s TYR 69 CO 0.81 0.56 1.42 0.45 -1.11 0.00 0.00 175.55 177.68 2k47 s SER 70 N -3.70 6.68 0.00 2.29 0.15 -0.55 -4.68 113.70 113.89 2k47 s SER 70 Ca 0.33 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2k47 s SER 70 Cb -0.05 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2k47 s SER 70 CO 0.20 -1.22 0.00 0.18 1.20 0.00 0.00 173.24 173.60 2k47 n LEU 71 N 7.75 0.00 -4.45 3.45 4.32 -1.26 -4.27 117.00 122.53 2k47 n LEU 71 Ca 0.34 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.90 2k47 n LEU 71 Cb 0.48 -0.20 -0.09 0.00 -1.62 0.00 0.00 43.42 41.99 2k47 n LEU 71 CO 0.64 -0.37 0.02 -0.76 -1.22 0.00 0.00 177.39 175.69 2k47 s LEU 72 N -4.38 5.12 0.00 2.23 2.01 -1.26 -5.12 118.68 117.27 2k47 s LEU 72 Ca 0.00 -0.91 0.25 0.00 0.01 0.00 0.00 54.13 53.48 2k47 s LEU 72 Cb 0.00 -2.25 0.34 0.00 0.01 0.00 0.00 46.19 44.29 2k47 s LEU 72 CO 0.00 -0.55 1.35 -0.62 1.01 0.00 0.00 176.35 177.54