#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k29 s ARG 3 N 0.00 2.76 0.15 5.55 1.81 -1.26 -5.05 118.95 122.92 3k29 s ARG 3 Ca 0.00 -0.95 -0.31 0.00 -1.72 0.00 0.00 55.73 52.75 3k29 s ARG 3 Cb 0.00 -2.63 -0.11 0.00 -0.45 0.00 0.00 34.95 31.76 3k29 s ARG 3 CO 0.00 -0.43 1.79 -0.47 -0.68 0.00 0.00 175.30 175.51 3k29 s TYR 4 N -2.53 2.43 0.51 -0.53 5.04 -1.26 -4.87 117.35 116.14 3k29 s TYR 4 Ca 0.54 0.12 0.24 0.00 -2.44 0.00 0.00 57.07 55.53 3k29 s TYR 4 Cb -0.10 -4.16 1.48 0.00 0.35 0.00 0.00 41.96 39.53 3k29 s TYR 4 CO 0.36 -4.65 2.14 -1.35 -1.34 0.00 0.00 175.55 170.71 3k29 h PRO 5 N 7.92 0.00 -0.54 4.97 0.11 -2.00 -1.67 132.00 140.79 3k29 h PRO 5 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 3k29 h PRO 5 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 3k29 h PRO 5 CO 0.95 0.06 0.15 1.28 -0.21 0.00 0.00 178.00 180.24 3k29 n LEU 6 N -4.01 5.07 -0.26 2.35 4.77 -1.26 -4.57 117.00 119.09 3k29 n LEU 6 Ca -0.03 -3.37 0.06 0.00 -0.03 0.00 0.00 56.01 52.64 3k29 n LEU 6 Cb 0.15 -0.68 0.19 0.00 -2.33 0.00 0.00 43.42 40.76 3k29 n LEU 6 CO 0.31 0.93 1.02 -0.08 -1.33 0.00 0.00 177.39 178.24 3k29 h GLU 7 N 1.80 0.43 -0.41 3.23 4.57 -1.68 -1.52 114.58 121.00 3k29 h GLU 7 Ca 0.23 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3k29 h GLU 7 Cb 1.99 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.46 3k29 h GLU 7 CO 0.56 0.29 0.27 -1.35 -1.18 0.00 0.00 179.01 177.60 3k29 h PRO 8 N 0.45 0.53 -0.18 0.92 0.11 -1.85 0.00 132.00 131.98 3k29 h PRO 8 Ca 0.42 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.42 3k29 h PRO 8 Cb 0.65 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 3k29 h PRO 8 CO -0.41 0.35 -0.20 0.28 -0.21 0.00 0.00 178.00 177.80 3k29 h VAL 9 N 0.54 1.34 -0.26 3.15 2.07 -1.67 -2.37 116.25 119.06 3k29 h VAL 9 Ca 0.15 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.30 3k29 h VAL 9 Cb -0.04 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3k29 h VAL 9 CO -0.03 0.42 0.16 0.25 0.02 0.00 0.00 177.57 178.38 3k29 h LEU 10 N 0.11 0.26 -0.39 2.57 5.85 -0.82 -0.61 115.31 122.28 3k29 h LEU 10 Ca 0.03 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3k29 h LEU 10 Cb 0.76 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 3k29 h LEU 10 CO 0.05 0.19 -0.12 -1.28 -0.34 0.00 0.00 178.44 176.94 3k29 h SER 11 N 0.32 -0.42 -0.90 1.25 0.87 -1.04 -0.55 113.55 113.08 3k29 h SER 11 Ca 0.10 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3k29 h SER 11 Cb -0.01 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 3k29 h SER 11 CO -0.04 -0.15 0.59 0.40 -0.53 0.00 0.00 176.83 177.09 3k29 h ILE 12 N -0.03 1.16 -0.04 2.23 2.04 -1.01 -2.09 117.51 119.77 3k29 h ILE 12 Ca 0.19 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 3k29 h ILE 12 Cb 0.32 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3k29 h ILE 12 CO -0.42 0.21 -0.56 0.11 0.00 0.00 0.00 178.15 177.48 3k29 h LYS 13 N 1.14 0.12 -0.32 2.37 1.57 -0.04 -0.93 116.57 120.50 3k29 h LYS 13 Ca 0.36 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3k29 h LYS 13 Cb -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3k29 h LYS 13 CO -0.11 0.65 0.11 0.87 -0.57 0.00 0.00 179.45 180.40 3k29 h LYS 14 N 0.09 0.49 -0.78 3.15 1.57 -0.89 -2.44 116.57 117.75 3k29 h LYS 14 Ca -0.00 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3k29 h LYS 14 Cb 1.02 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 3k29 h LYS 14 CO 0.08 0.52 0.51 -0.44 -0.57 0.00 0.00 179.45 179.55 3k29 h ASP 15 N 0.36 0.82 -0.11 0.86 3.32 -0.67 -1.67 116.42 119.33 3k29 h ASP 15 Ca 0.10 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3k29 h ASP 15 Cb 0.23 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3k29 h ASP 15 CO -0.00 0.57 -0.40 0.03 -1.72 0.00 0.00 179.24 177.71 3k29 h ARG 16 N 0.96 0.64 -0.02 3.56 3.08 -1.05 -0.10 114.38 121.45 3k29 h ARG 16 Ca 0.31 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3k29 h ARG 16 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3k29 h ARG 16 CO -0.09 0.93 0.01 0.28 -1.07 0.00 0.00 179.97 180.03 3k29 h VAL 17 N 0.53 1.05 -0.38 2.04 2.07 -1.17 -1.69 116.25 118.70 3k29 h VAL 17 Ca 0.04 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.51 3k29 h VAL 17 Cb 0.93 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3k29 h VAL 17 CO 0.08 0.04 -0.21 0.44 0.02 0.00 0.00 177.57 177.94 3k29 h ASP 18 N -0.03 -0.71 -0.95 0.57 5.19 -0.95 -0.64 116.42 118.90 3k29 h ASP 18 Ca 0.01 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3k29 h ASP 18 Cb 0.05 0.37 -0.05 0.00 0.18 0.00 0.00 39.33 39.89 3k29 h ASP 18 CO -0.00 -0.24 0.63 0.03 -3.12 0.00 0.00 179.24 176.54 3k29 h ARG 19 N -0.15 1.25 -0.11 3.56 3.08 -0.99 -2.23 114.38 118.79 3k29 h ARG 19 Ca 0.19 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3k29 h ARG 19 Cb 0.44 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3k29 h ARG 19 CO -0.47 0.83 -0.59 0.00 -1.07 0.00 0.00 179.97 178.67 3k29 h ALA 20 N 1.35 0.79 -0.30 0.04 0.00 -0.77 -0.05 119.26 120.31 3k29 h ALA 20 Ca 0.35 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3k29 h ALA 20 Cb -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3k29 h ALA 20 CO -0.08 0.71 0.16 0.93 0.00 0.00 0.00 179.25 180.98 3k29 h GLU 21 N 0.27 0.43 -0.85 0.00 5.08 -0.86 -0.88 114.58 117.77 3k29 h GLU 21 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3k29 h GLU 21 Cb 1.11 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3k29 h GLU 21 CO 0.10 0.37 0.42 -0.22 -1.00 0.00 0.00 179.01 178.68 3k29 h LYS 22 N 0.37 1.21 -0.44 2.33 3.64 -1.23 -2.23 116.57 120.21 3k29 h LYS 22 Ca 0.11 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3k29 h LYS 22 Cb 0.07 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3k29 h LYS 22 CO -0.02 0.91 0.11 0.28 -2.27 0.00 0.00 179.45 178.46 3k29 h VAL 23 N 1.20 1.23 -0.49 2.00 2.07 -0.71 -1.01 116.25 120.54 3k29 h VAL 23 Ca 0.29 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3k29 h VAL 23 Cb 0.09 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3k29 h VAL 23 CO -0.04 0.29 0.17 0.58 0.02 0.00 0.00 177.57 178.59 3k29 h VAL 24 N 0.58 0.82 -0.71 2.57 2.07 -0.98 0.11 116.25 120.72 3k29 h VAL 24 Ca 0.14 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3k29 h VAL 24 Cb 0.32 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3k29 h VAL 24 CO 0.00 0.06 0.29 0.50 0.02 0.00 0.00 177.57 178.44 3k29 h LYS 25 N 0.34 1.04 -0.33 1.57 3.64 -1.28 0.63 116.57 122.17 3k29 h LYS 25 Ca 0.24 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3k29 h LYS 25 Cb 0.26 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3k29 h LYS 25 CO -0.25 0.84 -0.30 1.49 -2.27 0.00 0.00 179.45 178.96 3k29 h GLU 26 N 1.02 0.79 -0.63 1.90 4.57 -0.26 -2.56 114.58 119.42 3k29 h GLU 26 Ca 0.24 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 3k29 h GLU 26 Cb 0.18 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3k29 h GLU 26 CO -0.02 1.03 0.27 0.87 -1.18 0.00 0.00 179.01 179.98 3k29 h LYS 27 N 0.56 0.91 -0.34 1.92 1.79 -0.36 0.55 116.57 121.60 3k29 h LYS 27 Ca 0.06 -0.14 0.07 0.00 -2.18 0.00 0.00 60.65 58.46 3k29 h LYS 27 Cb 0.88 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.30 3k29 h LYS 27 CO 0.08 0.73 -0.08 0.00 -1.08 0.00 0.00 179.45 179.09 3k29 h ARG 28 N 0.90 0.00 -0.72 3.15 -0.00 -0.74 -1.12 114.38 115.85 3k29 h ARG 28 Ca 0.21 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.65 3k29 h ARG 28 Cb 0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.09 3k29 h ARG 28 CO -0.02 0.00 0.28 -0.09 0.00 0.00 0.00 179.97 180.14 3k29 h ARG 29 N 0.00 1.08 -0.56 0.04 2.43 -0.95 0.49 114.38 116.92 3k29 h ARG 29 Ca 0.16 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3k29 h ARG 29 Cb 0.24 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3k29 h ARG 29 CO -0.34 0.89 0.03 -0.07 -1.51 0.00 0.00 179.97 178.97 3k29 h LEU 30 N 1.03 0.90 -0.54 3.80 3.38 -0.65 -1.11 115.31 122.12 3k29 h LEU 30 Ca 0.24 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3k29 h LEU 30 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3k29 h LEU 30 CO -0.02 0.94 -0.12 0.25 0.09 0.00 0.00 178.44 179.58 3k29 h LEU 31 N 0.87 1.04 -0.50 1.67 5.85 -0.83 -2.66 115.31 120.75 3k29 h LEU 31 Ca 0.17 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3k29 h LEU 31 Cb 0.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3k29 h LEU 31 CO 0.02 1.16 0.30 -0.08 -0.34 0.00 0.00 178.44 179.49 3k29 h GLU 32 N 0.91 0.69 -0.46 1.25 4.57 -0.49 0.11 114.58 121.17 3k29 h GLU 32 Ca 0.14 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.34 3k29 h GLU 32 Cb 0.69 -0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.06 3k29 h GLU 32 CO 0.05 0.51 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.23 3k29 h LEU 33 N 0.67 -0.38 -0.54 1.64 4.07 -1.10 0.55 115.31 120.22 3k29 h LEU 33 Ca 0.18 0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.21 3k29 h LEU 33 Cb 0.00 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3k29 h LEU 33 CO -0.03 -0.14 0.10 -0.33 -1.08 0.00 0.00 178.44 176.97 3k29 h GLU 34 N 0.02 0.88 -0.79 1.13 4.39 -1.09 -0.57 114.58 118.56 3k29 h GLU 34 Ca 0.22 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3k29 h GLU 34 Cb 0.34 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 3k29 h GLU 34 CO -0.46 0.85 0.47 1.96 -1.16 0.00 0.00 179.01 180.67 3k29 h GLN 35 N 0.78 0.83 -0.71 2.33 1.08 -0.29 0.18 115.11 119.30 3k29 h GLN 35 Ca 0.17 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 3k29 h GLN 35 Cb 0.38 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 3k29 h GLN 35 CO 0.01 0.55 0.28 1.49 -0.95 0.00 0.00 178.83 180.20 3k29 h GLU 36 N 0.85 1.07 -0.34 1.46 4.22 -0.60 -1.32 114.58 119.94 3k29 h GLU 36 Ca 0.35 -0.20 -0.10 0.00 0.08 0.00 0.00 59.36 59.49 3k29 h GLU 36 Cb 0.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3k29 h GLU 36 CO -0.18 0.89 -0.22 0.87 -2.18 0.00 0.00 179.01 178.18 3k29 h LYS 37 N 1.03 0.65 -0.63 1.92 1.57 -0.30 -1.90 116.57 118.91 3k29 h LYS 37 Ca 0.24 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3k29 h LYS 37 Cb 0.23 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3k29 h LYS 37 CO -0.02 0.82 0.41 1.25 -0.57 0.00 0.00 179.45 181.34 3k29 h LEU 38 N 0.57 0.69 -0.78 2.94 5.85 -0.35 -1.39 115.31 122.86 3k29 h LEU 38 Ca 0.08 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3k29 h LEU 38 Cb 0.69 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3k29 h LEU 38 CO 0.05 0.50 0.41 0.03 -0.34 0.00 0.00 178.44 179.09 3k29 h ARG 39 N 0.82 1.09 -0.41 1.25 3.08 -0.95 -0.25 114.38 119.01 3k29 h ARG 39 Ca 0.24 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3k29 h ARG 39 Cb -0.06 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 3k29 h ARG 39 CO -0.07 0.82 0.24 0.93 -1.07 0.00 0.00 179.97 180.82 3k29 h GLU 40 N 1.08 0.55 -0.53 0.04 5.08 -1.07 -0.24 114.58 119.48 3k29 h GLU 40 Ca 0.27 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3k29 h GLU 40 Cb 0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3k29 h GLU 40 CO -0.04 0.41 0.32 0.00 -1.00 0.00 0.00 179.01 178.70 3k29 h ARG 41 N 0.53 0.62 0.00 2.33 2.47 -1.02 -0.77 114.38 118.54 3k29 h ARG 41 Ca 0.15 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 3k29 h ARG 41 Cb 0.00 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 3k29 h ARG 41 CO -0.03 0.41 -0.33 0.93 0.56 0.00 0.00 179.97 181.51 3k29 h GLU 42 N 0.63 0.00 -0.08 0.04 5.08 -0.84 -0.23 114.58 119.18 3k29 h GLU 42 Ca 0.22 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3k29 h GLU 42 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3k29 h GLU 42 CO -0.10 0.33 -0.11 1.03 -1.00 0.00 0.00 179.01 179.17 3k29 h SER 43 N 0.00 0.23 -0.49 1.42 0.87 -0.55 -0.01 113.55 115.02 3k29 h SER 43 Ca -0.00 -0.53 -0.05 0.00 -1.23 0.00 0.00 61.79 59.98 3k29 h SER 43 Cb 0.60 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3k29 h SER 43 CO 0.04 0.71 0.14 -0.33 -0.53 0.00 0.00 176.83 176.86 3k29 h GLU 44 N -0.25 0.83 -0.43 2.24 4.39 -0.89 -1.44 114.58 119.04 3k29 h GLU 44 Ca 0.01 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 3k29 h GLU 44 Cb 0.66 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3k29 h GLU 44 CO 0.03 0.74 0.05 -0.09 -1.16 0.00 0.00 179.01 178.58 3k29 h ARG 45 N 0.80 0.72 -0.55 2.33 1.12 -0.95 -2.96 114.38 114.89 3k29 h ARG 45 Ca 0.18 -0.20 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 3k29 h ARG 45 Cb 0.28 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.14 3k29 h ARG 45 CO -0.00 0.76 0.24 -0.44 -3.11 0.00 0.00 179.97 177.42 3k29 h ASP 46 N 0.57 0.71 -0.53 -3.80 3.32 -0.25 0.12 116.42 116.57 3k29 h ASP 46 Ca 0.13 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 3k29 h ASP 46 Cb 0.40 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3k29 h ASP 46 CO 0.01 0.62 -0.04 0.07 -1.72 0.00 0.00 179.24 178.18 3k29 h LYS 47 N 0.78 0.99 -0.44 3.56 2.10 -1.19 0.13 116.57 122.50 3k29 h LYS 47 Ca 0.19 -0.32 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 3k29 h LYS 47 Cb 0.13 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 3k29 h LYS 47 CO -0.02 1.00 0.08 0.28 -2.00 0.00 0.00 179.45 178.79 3k29 h VAL 48 N 0.90 1.24 -0.86 0.07 2.07 -1.33 -0.98 116.25 117.36 3k29 h VAL 48 Ca 0.15 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3k29 h VAL 48 Cb 0.58 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3k29 h VAL 48 CO 0.04 0.30 0.56 0.50 0.02 0.00 0.00 177.57 178.99 3k29 h LYS 49 N 0.58 1.15 -0.46 1.57 3.64 -0.52 -1.10 116.57 121.43 3k29 h LYS 49 Ca 0.13 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 3k29 h LYS 49 Cb 0.36 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3k29 h LYS 49 CO 0.01 0.77 -0.15 -0.97 -2.27 0.00 0.00 179.45 176.84 3k29 h ASN 50 N 1.18 0.94 -0.51 4.20 -1.24 -0.52 -2.73 115.58 116.90 3k29 h ASN 50 Ca 0.31 -0.38 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 3k29 h ASN 50 Cb -0.11 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.66 3k29 h ASN 50 CO -0.07 1.10 0.29 -0.74 -1.29 0.00 0.00 177.43 176.72 3k29 h HIS 51 N 0.76 0.71 0.00 0.67 2.76 -0.69 0.53 115.15 119.90 3k29 h HIS 51 Ca 0.11 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3k29 h HIS 51 Cb 0.71 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3k29 h HIS 51 CO 0.05 0.50 0.00 0.98 -1.30 0.00 0.00 177.93 178.16 3k29 n TYR 52 N -4.40 0.00 0.00 5.26 9.36 -0.46 -1.70 117.16 125.22 3k29 n TYR 52 Ca 0.05 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3k29 n TYR 52 Cb 0.10 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 3k29 n TYR 52 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3k29 n GLN 54 N 0.31 0.00 -0.16 2.98 6.02 0.18 -1.10 117.38 125.61 3k29 n GLN 54 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3k29 n GLN 54 Cb 0.16 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.43 3k29 n GLN 54 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3k29 h LYS 55 N 0.00 0.66 -0.54 -1.09 1.79 -1.59 -0.06 116.57 115.75 3k29 h LYS 55 Ca 0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3k29 h LYS 55 Cb 0.00 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3k29 h LYS 55 CO 0.00 0.52 0.26 0.82 -1.08 0.00 0.00 179.45 179.97 3k29 h ILE 56 N 0.62 1.20 -0.31 1.86 2.04 -1.39 -1.31 117.51 120.22 3k29 h ILE 56 Ca 0.16 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 3k29 h ILE 56 Cb 0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3k29 h ILE 56 CO -0.03 0.22 -0.27 0.03 0.00 0.00 0.00 178.15 178.11 3k29 h ARG 57 N 0.72 0.63 -0.54 2.37 3.08 -1.78 0.56 114.38 119.43 3k29 h ARG 57 Ca 0.18 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3k29 h ARG 57 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3k29 h ARG 57 CO -0.02 0.84 0.12 1.96 -1.07 0.00 0.00 179.97 181.79 3k29 h GLN 58 N 0.55 0.87 -0.51 0.04 4.20 -0.72 -0.76 115.11 118.77 3k29 h GLN 58 Ca 0.07 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 3k29 h GLN 58 Cb 0.75 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3k29 h GLN 58 CO 0.06 0.83 0.04 1.25 -0.67 0.00 0.00 178.83 180.34 3k29 h LEU 59 N 0.76 0.85 -0.94 1.46 5.85 -0.83 -2.49 115.31 119.98 3k29 h LEU 59 Ca 0.17 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3k29 h LEU 59 Cb 0.36 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3k29 h LEU 59 CO 0.00 0.93 0.61 -0.09 -0.34 0.00 0.00 178.44 179.55 3k29 h ARG 60 N 0.74 1.13 -0.77 1.25 1.12 -0.52 0.43 114.38 117.76 3k29 h ARG 60 Ca 0.15 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 58.91 3k29 h ARG 60 Cb 0.47 -0.25 -0.04 0.00 -0.01 0.00 0.00 29.97 30.14 3k29 h ARG 60 CO 0.02 0.75 0.34 0.93 -3.11 0.00 0.00 179.97 178.90 3k29 h GLU 61 N 1.16 1.13 -0.54 0.20 5.08 -1.08 -0.98 114.58 119.55 3k29 h GLU 61 Ca 0.38 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3k29 h GLU 61 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3k29 h GLU 61 CO -0.13 0.89 -0.11 1.96 -1.00 0.00 0.00 179.01 180.62 3k29 h GLN 62 N 1.11 1.04 -0.57 2.33 1.08 -0.83 -1.20 115.11 118.07 3k29 h GLN 62 Ca 0.26 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3k29 h GLN 62 Cb 0.16 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3k29 h GLN 62 CO -0.03 1.08 0.36 -0.07 -0.95 0.00 0.00 178.83 179.23 3k29 h LEU 63 N 0.92 0.67 -0.85 1.46 3.38 -0.66 -1.58 115.31 118.65 3k29 h LEU 63 Ca 0.14 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3k29 h LEU 63 Cb 0.68 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3k29 h LEU 63 CO 0.05 0.51 0.18 0.44 0.09 0.00 0.00 178.44 179.70 3k29 h ASP 64 N 0.77 0.97 1.04 -0.43 3.32 -0.93 -2.10 116.42 119.07 3k29 h ASP 64 Ca 0.21 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3k29 h ASP 64 Cb -0.06 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.24 3k29 h ASP 64 CO -0.04 0.93 0.00 0.44 -1.72 0.00 0.00 179.24 178.84 3k29 h ASP 65 N 0.99 0.00 -1.81 6.45 3.32 -0.84 -3.49 116.42 121.04 3k29 h ASP 65 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3k29 h ASP 65 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3k29 h ASP 65 CO -0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3k29 n GLY 66 N 0.08 -0.97 0.00 2.75 0.00 -0.63 -5.08 105.19 101.34 3k29 n GLY 66 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3k29 n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3k29 n THR 67 N 1.34 0.00 -4.18 2.61 5.66 -1.25 -4.85 114.28 113.60 3k29 n THR 67 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 3k29 n THR 67 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 3k29 n THR 67 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k29 s THR 68 N -0.36 0.88 0.28 1.09 -4.23 -1.26 -5.05 115.64 106.98 3k29 s THR 68 Ca 0.00 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3k29 s THR 68 Cb 0.00 -1.55 0.28 0.00 1.34 0.00 0.00 72.50 72.57 3k29 s THR 68 CO 0.00 -0.71 1.87 -1.28 -0.54 0.00 0.00 174.62 173.96 3k29 h SER 69 N 3.21 0.99 -0.54 3.99 0.87 -2.02 -2.28 113.55 117.76 3k29 h SER 69 Ca -0.36 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 3k29 h SER 69 Cb 1.18 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3k29 h SER 69 CO 0.59 0.60 0.25 0.44 -0.53 0.00 0.00 176.83 178.18 3k29 h ASP 70 N 1.10 0.72 0.01 6.23 3.32 -1.99 -1.51 116.42 124.30 3k29 h ASP 70 Ca 0.45 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 3k29 h ASP 70 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3k29 h ASP 70 CO -0.20 0.66 -0.36 0.00 -1.72 0.00 0.00 179.24 177.62 3k29 h ALA 71 N 1.09 0.97 -0.16 3.45 0.00 -1.93 -0.96 119.26 121.71 3k29 h ALA 71 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3k29 h ALA 71 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k29 h ALA 71 CO -0.02 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.73 3k29 h ILE 72 N 0.41 1.14 -0.56 0.00 2.04 -1.29 -3.14 117.51 116.10 3k29 h ILE 72 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3k29 h ILE 72 Cb 0.82 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3k29 h ILE 72 CO 0.07 0.13 0.37 -0.07 0.00 0.00 0.00 178.15 178.65 3k29 h LEU 73 N 0.13 0.65 -1.31 1.44 3.38 -0.89 0.22 115.31 118.92 3k29 h LEU 73 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k29 h LEU 73 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3k29 h LEU 73 CO -0.01 0.47 0.00 1.17 0.09 0.00 0.00 178.44 180.17 3k29 n LYS 74 N -4.69 0.15 0.00 1.13 4.81 -0.40 -1.08 118.16 118.08 3k29 n LYS 74 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3k29 n LYS 74 Cb 0.02 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 33.89 3k29 n LYS 74 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3k29 n LYS 76 N 0.58 0.00 -0.11 1.64 5.02 0.06 -2.67 118.16 122.68 3k29 n LYS 76 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3k29 n LYS 76 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.03 3k29 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k29 h ALA 77 N 0.00 0.45 -0.32 7.82 0.00 -1.33 -0.93 119.26 124.95 3k29 h ALA 77 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3k29 h ALA 77 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k29 h ALA 77 CO 0.00 0.23 -0.29 -0.92 0.00 0.00 0.00 179.25 178.27 3k29 h TYR 78 N 0.39 0.76 -0.73 0.00 3.20 -1.78 -2.82 116.97 115.99 3k29 h TYR 78 Ca 0.09 -0.19 0.06 0.00 3.14 0.00 0.00 58.73 61.84 3k29 h TYR 78 Cb 0.49 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 3k29 h TYR 78 CO 0.04 0.88 0.42 0.82 -1.64 0.00 0.00 178.16 178.67 3k29 h ILE 79 N 0.56 0.97 -0.97 1.81 2.04 -1.77 -1.93 117.51 118.23 3k29 h ILE 79 Ca 0.07 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3k29 h ILE 79 Cb 0.79 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3k29 h ILE 79 CO 0.06 0.14 0.63 0.11 0.00 0.00 0.00 178.15 179.10 3k29 h LYS 80 N 0.76 1.15 -0.41 2.37 1.57 -0.99 -0.32 116.57 120.70 3k29 h LYS 80 Ca 0.33 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3k29 h LYS 80 Cb 0.21 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3k29 h LYS 80 CO -0.19 0.76 0.24 0.28 -0.57 0.00 0.00 179.45 179.98 3k29 h VAL 81 N 1.18 1.14 -0.44 0.50 2.07 -1.14 -2.88 116.25 116.68 3k29 h VAL 81 Ca 0.40 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 3k29 h VAL 81 Cb 0.08 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3k29 h VAL 81 CO -0.14 0.14 -0.19 0.58 0.02 0.00 0.00 177.57 177.98 3k29 h VAL 82 N 0.54 1.27 -1.00 2.57 2.07 -0.74 -2.41 116.25 118.56 3k29 h VAL 82 Ca 0.15 -1.32 0.11 0.00 0.82 0.00 0.00 66.70 66.45 3k29 h VAL 82 Cb 0.01 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 3k29 h VAL 82 CO -0.03 0.45 0.63 0.00 0.02 0.00 0.00 177.57 178.64 3k29 h ALA 83 N 1.01 1.48 -0.23 1.67 0.00 -0.91 0.50 119.26 122.79 3k29 h ALA 83 Ca 0.11 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 3k29 h ALA 83 Cb 0.73 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3k29 h ALA 83 CO 0.06 0.26 -0.64 0.82 0.00 0.00 0.00 179.25 179.75 3k29 h ILE 84 N 1.02 1.28 -0.82 0.00 2.04 -1.29 -1.60 117.51 118.14 3k29 h ILE 84 Ca 0.48 -1.83 0.05 0.00 1.00 0.00 0.00 64.86 64.56 3k29 h ILE 84 Cb 0.43 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 3k29 h ILE 84 CO -0.25 0.59 0.51 1.56 0.00 0.00 0.00 178.15 180.56 3k29 h GLN 85 N 0.60 0.94 0.03 2.37 4.20 -0.86 -1.45 115.11 120.93 3k29 h GLN 85 Ca -0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3k29 h GLN 85 Cb 1.26 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3k29 h GLN 85 CO 0.14 0.62 -0.01 1.25 -0.67 0.00 0.00 178.83 180.16 3k29 h LEU 86 N 0.97 -0.03 -1.60 1.46 5.85 -0.70 -1.48 115.31 119.78 3k29 h LEU 86 Ca 0.34 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.12 3k29 h LEU 86 Cb 0.09 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3k29 h LEU 86 CO -0.14 0.01 0.41 0.77 -0.34 0.00 0.00 178.44 179.15 3k29 h SER 87 N -0.07 0.41 -0.09 1.25 4.64 -1.01 -0.64 113.55 118.05 3k29 h SER 87 Ca -0.00 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3k29 h SER 87 Cb 0.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3k29 h SER 87 CO 0.01 0.25 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.45 3k29 h GLU 88 N 0.46 0.64 -0.45 4.77 5.08 -0.83 -1.81 114.58 122.44 3k29 h GLU 88 Ca 0.28 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3k29 h GLU 88 Cb 0.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3k29 h GLU 88 CO -0.08 0.95 -0.12 0.93 -1.00 0.00 0.00 179.01 179.69 3k29 h GLU 89 N 0.52 0.87 -0.85 2.33 4.39 -0.36 -2.05 114.58 119.43 3k29 h GLU 89 Ca 0.04 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.43 3k29 h GLU 89 Cb 0.97 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 3k29 h GLU 89 CO 0.09 0.98 0.56 0.93 -1.16 0.00 0.00 179.01 180.40 3k29 h GLU 90 N 0.70 1.04 -0.05 2.33 4.39 -0.97 -0.65 114.58 121.38 3k29 h GLU 90 Ca 0.11 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3k29 h GLU 90 Cb 0.66 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3k29 h GLU 90 CO 0.05 0.69 0.03 1.49 -1.16 0.00 0.00 179.01 180.11 3k29 h GLU 91 N 1.07 0.07 -0.92 2.33 4.57 -1.12 -0.76 114.58 119.82 3k29 h GLU 91 Ca 0.33 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.65 3k29 h GLU 91 Cb -0.00 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.48 3k29 h GLU 91 CO -0.09 0.05 0.53 0.87 -1.18 0.00 0.00 179.01 179.19 3k29 h LYS 92 N 0.07 0.76 -0.32 1.92 1.57 -0.76 0.14 116.57 119.95 3k29 h LYS 92 Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3k29 h LYS 92 Cb -0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3k29 h LYS 92 CO -0.00 0.50 0.14 0.28 -0.57 0.00 0.00 179.45 179.80 3k29 h VAL 93 N 0.78 1.17 -0.50 0.50 2.07 -0.96 -2.41 116.25 116.89 3k29 h VAL 93 Ca 0.49 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3k29 h VAL 93 Cb 0.62 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3k29 h VAL 93 CO -0.32 0.17 0.00 0.78 0.02 0.00 0.00 177.57 178.22 3k29 h ASN 94 N 0.37 0.82 -0.21 0.57 2.35 -0.05 -1.27 115.58 118.16 3k29 h ASN 94 Ca 0.11 -0.20 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3k29 h ASN 94 Cb 0.14 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3k29 h ASN 94 CO -0.01 0.88 -0.03 0.11 -1.65 0.00 0.00 177.43 176.73 3k29 h LYS 95 N 0.79 0.03 -0.41 0.81 6.56 -1.01 -2.80 116.57 120.54 3k29 h LYS 95 Ca 0.15 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.69 3k29 h LYS 95 Cb 0.47 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.11 3k29 h LYS 95 CO 0.02 0.02 0.04 0.37 -2.06 0.00 0.00 179.45 177.84 3k29 h GLN 96 N 0.03 0.63 -0.97 3.15 5.75 -1.05 -0.29 115.11 122.35 3k29 h GLN 96 Ca 0.10 -0.13 0.16 0.00 -0.15 0.00 0.00 58.65 58.62 3k29 h GLN 96 Cb 0.14 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.51 3k29 h GLN 96 CO -0.19 0.62 0.61 0.87 -2.65 0.00 0.00 178.83 178.09 3k29 h LYS 97 N 0.60 0.78 -0.51 1.69 1.57 -1.11 -0.46 116.57 119.13 3k29 h LYS 97 Ca 0.13 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3k29 h LYS 97 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3k29 h LYS 97 CO 0.01 0.51 -0.06 0.93 -0.57 0.00 0.00 179.45 180.27 3k29 h GLU 98 N 0.80 0.90 -0.63 3.15 5.08 -0.79 -0.93 114.58 122.16 3k29 h GLU 98 Ca 0.51 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3k29 h GLU 98 Cb 0.75 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3k29 h GLU 98 CO -0.29 0.93 0.30 -0.91 -1.00 0.00 0.00 179.01 178.05 3k29 h ASN 99 N 0.82 0.82 -0.31 1.42 2.35 -1.02 -2.12 115.58 117.54 3k29 h ASN 99 Ca 0.14 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3k29 h ASN 99 Cb 0.57 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3k29 h ASN 99 CO 0.03 0.72 0.15 0.58 -1.65 0.00 0.00 177.43 177.26 3k29 h VAL 100 N 0.86 1.15 -0.38 2.81 2.07 -0.66 -1.99 116.25 120.11 3k29 h VAL 100 Ca 0.22 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3k29 h VAL 100 Cb 0.11 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3k29 h VAL 100 CO -0.03 0.16 0.21 0.25 0.02 0.00 0.00 177.57 178.18 3k29 h LEU 101 N 0.37 0.48 -0.81 2.57 5.85 -1.14 0.02 115.31 122.64 3k29 h LEU 101 Ca 0.11 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k29 h LEU 101 Cb 0.12 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3k29 h LEU 101 CO -0.01 0.43 0.54 0.00 -0.34 0.00 0.00 178.44 179.05 3k29 h ALA 102 N 1.07 1.04 -0.25 1.25 0.00 -1.32 -0.25 119.26 120.81 3k29 h ALA 102 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3k29 h ALA 102 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3k29 h ALA 102 CO -0.02 0.43 -0.29 0.00 0.00 0.00 0.00 179.25 179.37 3k29 h ALA 103 N 1.30 1.03 -0.05 0.00 0.00 -1.08 0.36 119.26 120.83 3k29 h ALA 103 Ca 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k29 h ALA 103 Cb -0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3k29 h ALA 103 CO -0.07 0.59 0.02 1.03 0.00 0.00 0.00 179.25 180.82 3k29 h SER 104 N 0.44 0.07 -0.68 0.00 0.87 -0.62 -0.83 113.55 112.80 3k29 h SER 104 Ca 0.06 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3k29 h SER 104 Cb 0.73 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 3k29 h SER 104 CO 0.06 0.19 0.45 0.11 -0.53 0.00 0.00 176.83 177.10 3k29 h LYS 105 N -0.05 0.88 -0.84 2.24 1.57 -0.79 -1.92 116.57 117.65 3k29 h LYS 105 Ca 0.02 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3k29 h LYS 105 Cb 0.14 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 3k29 h LYS 105 CO -0.00 0.59 0.48 0.93 -0.57 0.00 0.00 179.45 180.87 3k29 h GLU 106 N 0.91 0.76 -0.27 3.15 4.39 -0.71 -0.16 114.58 122.65 3k29 h GLU 106 Ca 0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3k29 h GLU 106 Cb -0.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 3k29 h GLU 106 CO -0.06 0.50 0.18 1.25 -1.16 0.00 0.00 179.01 179.72 3k29 h LEU 107 N 0.78 0.32 -0.55 1.33 5.85 -0.86 -1.58 115.31 120.59 3k29 h LEU 107 Ca 0.42 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.19 3k29 h LEU 107 Cb 0.42 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3k29 h LEU 107 CO -0.27 0.23 0.26 -0.08 -0.34 0.00 0.00 178.44 178.24 3k29 h GLU 108 N 0.37 0.47 -0.76 1.25 4.22 -0.83 -1.81 114.58 117.50 3k29 h GLU 108 Ca 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.47 3k29 h GLU 108 Cb -0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3k29 h GLU 108 CO -0.02 0.31 0.31 0.00 -2.18 0.00 0.00 179.01 177.43 3k29 h ARG 109 N 0.49 1.13 -0.58 1.92 3.08 -0.91 -1.88 114.38 117.62 3k29 h ARG 109 Ca 0.25 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3k29 h ARG 109 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3k29 h ARG 109 CO -0.20 0.92 0.08 0.00 -1.07 0.00 0.00 179.97 179.69 3k29 h ALA 110 N 1.16 1.04 -0.35 0.04 0.00 -0.84 -0.93 119.26 119.38 3k29 h ALA 110 Ca 0.25 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3k29 h ALA 110 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3k29 h ALA 110 CO -0.02 0.61 -0.38 0.93 0.00 0.00 0.00 179.25 180.39 3k29 h GLU 111 N 0.89 0.84 -0.55 0.00 5.08 -1.12 -0.39 114.58 119.32 3k29 h GLU 111 Ca 0.18 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3k29 h GLU 111 Cb 0.41 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 3k29 h GLU 111 CO 0.01 1.07 0.26 0.28 -1.00 0.00 0.00 179.01 179.63 3k29 h VAL 112 N 0.69 0.90 -0.62 3.13 2.07 -1.19 -1.93 116.25 119.31 3k29 h VAL 112 Ca 0.06 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3k29 h VAL 112 Cb 0.95 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3k29 h VAL 112 CO 0.09 0.09 0.21 -0.33 0.02 0.00 0.00 177.57 177.65 3k29 h GLU 113 N 0.48 0.95 -0.71 1.57 4.39 -0.82 -1.81 114.58 118.64 3k29 h GLU 113 Ca 0.26 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.81 3k29 h GLU 113 Cb 0.21 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3k29 h GLU 113 CO -0.21 0.83 0.43 1.25 -1.16 0.00 0.00 179.01 180.15 3k29 h LEU 114 N 0.88 0.67 -0.62 1.33 5.85 -0.92 -0.88 115.31 121.62 3k29 h LEU 114 Ca 0.20 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3k29 h LEU 114 Cb 0.26 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3k29 h LEU 114 CO -0.01 0.45 0.23 0.74 -0.34 0.00 0.00 178.44 179.51 3k29 h THR 115 N 0.81 1.24 -0.56 1.05 2.02 -1.08 -1.90 112.91 114.49 3k29 h THR 115 Ca 0.30 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.74 3k29 h THR 115 Cb 0.10 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3k29 h THR 115 CO -0.14 0.30 0.34 0.11 0.37 0.00 0.00 175.52 176.49 3k29 h LYS 116 N 0.87 0.66 -0.78 6.66 1.57 -1.03 -1.11 116.57 123.41 3k29 h LYS 116 Ca 0.20 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3k29 h LYS 116 Cb 0.23 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3k29 h LYS 116 CO -0.01 0.44 0.44 0.00 -0.57 0.00 0.00 179.45 179.74 3k29 h ARG 117 N 0.68 1.07 -0.10 3.15 2.47 -0.89 -1.51 114.38 119.25 3k29 h ARG 117 Ca 0.22 -0.11 -0.24 0.00 -1.26 0.00 0.00 59.98 58.59 3k29 h ARG 117 Cb 0.01 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.13 3k29 h ARG 117 CO -0.09 0.78 -0.87 0.00 0.56 0.00 0.00 179.97 180.35 3k29 h ARG 118 N 1.08 0.76 -0.01 0.04 3.08 -1.10 -0.90 114.38 117.34 3k29 h ARG 118 Ca 0.28 -0.68 0.02 0.00 0.07 0.00 0.00 59.98 59.67 3k29 h ARG 118 Cb 0.00 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3k29 h ARG 118 CO -0.05 1.28 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.77 3k29 h LYS 119 N 0.49 -0.22 -0.29 0.04 3.64 -1.06 -0.76 116.57 118.41 3k29 h LYS 119 Ca -0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3k29 h LYS 119 Cb 1.50 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 3k29 h LYS 119 CO 0.18 -0.15 0.14 0.93 -2.27 0.00 0.00 179.45 178.28 3k29 h GLU 120 N -0.23 0.41 -0.75 1.90 5.08 -1.23 -0.26 114.58 119.50 3k29 h GLU 120 Ca 0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3k29 h GLU 120 Cb 0.29 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3k29 h GLU 120 CO -0.15 0.39 0.49 1.49 -1.00 0.00 0.00 179.01 180.23 3k29 h GLU 121 N 0.34 0.94 -0.46 2.33 4.22 -1.12 -2.18 114.58 118.64 3k29 h GLU 121 Ca 0.10 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.38 3k29 h GLU 121 Cb 0.10 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3k29 h GLU 121 CO -0.01 0.62 -0.13 1.49 -2.18 0.00 0.00 179.01 178.80 3k29 h GLU 122 N 0.97 0.84 -0.41 1.92 4.57 -0.76 0.11 114.58 121.83 3k29 h GLU 122 Ca 0.29 -0.30 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3k29 h GLU 122 Cb -0.05 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 3k29 h GLU 122 CO -0.09 0.93 0.05 -0.22 -1.18 0.00 0.00 179.01 178.50 3k29 h LYS 123 N 0.76 0.17 -0.61 1.92 3.64 -0.63 -0.37 116.57 121.45 3k29 h LYS 123 Ca 0.12 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3k29 h LYS 123 Cb 0.64 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3k29 h LYS 123 CO 0.04 0.11 0.12 1.15 -2.27 0.00 0.00 179.45 178.61 3k29 h THR 124 N 0.17 1.26 -0.60 1.00 2.02 -1.04 -2.05 112.91 113.67 3k29 h THR 124 Ca 0.20 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3k29 h THR 124 Cb 0.26 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3k29 h THR 124 CO -0.28 0.36 0.37 -0.09 0.37 0.00 0.00 175.52 176.24 3k29 h ARG 125 N 0.90 0.71 -0.83 6.66 2.43 -0.56 -1.11 114.38 122.59 3k29 h ARG 125 Ca 0.19 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3k29 h ARG 125 Cb 0.39 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3k29 h ARG 125 CO 0.01 0.47 0.44 1.25 -1.51 0.00 0.00 179.97 180.62 3k29 h LEU 126 N 0.73 1.05 -0.94 3.80 5.85 -0.88 -1.16 115.31 123.75 3k29 h LEU 126 Ca 0.24 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 3k29 h LEU 126 Cb 0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3k29 h LEU 126 CO -0.10 0.86 -0.48 0.45 -0.34 0.00 0.00 178.44 178.83 3k29 h HIS 127 N 1.17 0.13 -0.55 1.25 3.86 -0.74 -0.69 115.15 119.58 3k29 h HIS 127 Ca 0.29 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 3k29 h HIS 127 Cb 0.06 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3k29 h HIS 127 CO 0.01 0.57 0.13 -0.22 0.86 0.00 0.00 177.93 179.29 3k29 h LYS 128 N 0.09 0.88 -0.32 2.45 3.64 -0.72 0.83 116.57 123.42 3k29 h LYS 128 Ca 0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3k29 h LYS 128 Cb 0.88 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3k29 h LYS 128 CO 0.07 0.83 0.21 1.49 -2.27 0.00 0.00 179.45 179.77 3k29 h GLU 129 N 0.78 0.42 -0.01 1.90 4.81 -0.92 -3.08 114.58 118.48 3k29 h GLU 129 Ca 0.17 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 3k29 h GLU 129 Cb 0.34 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3k29 h GLU 129 CO 0.00 0.29 -0.71 0.93 -0.73 0.00 0.00 179.01 178.78 3k29 h GLU 130 N 0.43 0.09 -0.23 1.92 5.08 -1.01 -1.84 114.58 119.02 3k29 h GLU 130 Ca 0.12 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3k29 h GLU 130 Cb -0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3k29 h GLU 130 CO -0.03 0.76 0.00 1.87 -1.00 0.00 0.00 179.01 180.62 3k29 n TRP 131 N -3.74 0.00 0.00 4.33 -0.00 0.27 -2.35 117.44 115.96 3k29 n TRP 131 Ca -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 3k29 n TRP 131 Cb 0.69 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.98 3k29 n TRP 131 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 3k29 n LYS 133 N 0.42 0.00 -0.28 5.87 4.81 -0.69 0.28 118.16 128.56 3k29 n LYS 133 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3k29 n LYS 133 Cb 0.05 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.21 3k29 n LYS 133 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3k29 h GLU 134 N 0.00 1.16 -0.14 1.64 4.39 -1.75 -1.32 114.58 118.56 3k29 h GLU 134 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3k29 h GLU 134 Cb 0.00 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 3k29 h GLU 134 CO 0.00 0.88 0.09 0.00 -1.16 0.00 0.00 179.01 178.82 3k29 h ALA 135 N 1.29 0.18 -0.44 3.43 0.00 -0.45 -0.11 119.26 123.16 3k29 h ALA 135 Ca 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3k29 h ALA 135 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3k29 h ALA 135 CO -0.04 -0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.05 3k29 h LEU 136 N 0.19 0.39 -0.84 0.00 -0.00 -1.77 -0.13 115.31 113.15 3k29 h LEU 136 Ca 0.05 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 3k29 h LEU 136 Cb -0.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 3k29 h LEU 136 CO -0.02 0.27 0.26 0.11 -0.00 0.00 0.00 178.44 179.07 3k29 h LYS 137 N 0.49 1.13 -0.07 1.13 1.57 -1.00 -1.74 116.57 118.09 3k29 h LYS 137 Ca 0.18 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k29 h LYS 137 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3k29 h LYS 137 CO -0.10 0.94 0.02 1.49 -0.57 0.00 0.00 179.45 181.23 3k29 h GLU 138 N 1.09 0.10 -0.92 3.15 4.57 -0.62 -0.71 114.58 121.24 3k29 h GLU 138 Ca 0.24 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 3k29 h GLU 138 Cb 0.25 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 3k29 h GLU 138 CO -0.01 0.25 0.60 1.49 -1.18 0.00 0.00 179.01 180.16 3k29 h GLU 139 N -0.07 1.16 -0.41 1.92 4.57 -0.94 -0.79 114.58 120.02 3k29 h GLU 139 Ca 0.02 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3k29 h GLU 139 Cb 0.19 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3k29 h GLU 139 CO -0.00 0.76 0.21 0.00 -1.18 0.00 0.00 179.01 178.81 3k29 h ALA 140 N 1.36 0.52 -0.89 2.92 0.00 -1.13 0.01 119.26 122.05 3k29 h ALA 140 Ca 0.35 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3k29 h ALA 140 Cb -0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3k29 h ALA 140 CO -0.10 0.06 0.59 0.00 0.00 0.00 0.00 179.25 179.80 3k29 h ARG 141 N 0.52 1.16 -0.54 0.00 3.08 -0.79 0.37 114.38 118.18 3k29 h ARG 141 Ca 0.14 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3k29 h ARG 141 Cb 0.08 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3k29 h ARG 141 CO -0.02 0.77 0.19 1.96 -1.07 0.00 0.00 179.97 181.79 3k29 h GLN 142 N 1.19 0.83 -0.40 0.04 1.08 -0.86 -0.38 115.11 116.61 3k29 h GLN 142 Ca 0.33 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3k29 h GLN 142 Cb -0.12 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 3k29 h GLN 142 CO -0.08 0.75 0.23 0.93 -0.95 0.00 0.00 178.83 179.71 3k29 h GLU 143 N 0.74 0.56 -0.36 1.46 5.08 -0.57 -1.18 114.58 120.32 3k29 h GLU 143 Ca 0.18 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3k29 h GLU 143 Cb 0.25 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3k29 h GLU 143 CO -0.01 0.44 0.17 1.49 -1.00 0.00 0.00 179.01 180.10 3k29 h GLU 144 N 0.52 0.34 -0.92 2.33 4.81 -0.79 0.31 114.58 121.19 3k29 h GLU 144 Ca 0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3k29 h GLU 144 Cb 0.04 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 3k29 h GLU 144 CO -0.02 0.23 0.59 -0.22 -0.73 0.00 0.00 179.01 178.85 3k29 h LYS 145 N 0.35 1.22 -0.07 1.92 3.64 -0.87 -2.03 116.57 120.74 3k29 h LYS 145 Ca 0.16 -0.09 -0.20 0.00 -1.27 0.00 0.00 60.65 59.25 3k29 h LYS 145 Cb 0.08 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3k29 h LYS 145 CO -0.12 0.82 -0.80 0.93 -2.27 0.00 0.00 179.45 178.01 3k29 h GLU 146 N 1.25 0.48 -0.93 1.90 4.39 -0.92 -1.05 114.58 119.70 3k29 h GLU 146 Ca 0.33 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.68 3k29 h GLU 146 Cb -0.12 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.56 3k29 h GLU 146 CO -0.07 1.06 0.58 1.96 -1.16 0.00 0.00 179.01 181.39 3k29 h GLN 147 N 0.31 1.01 -0.13 2.33 4.20 -0.78 -2.53 115.11 119.51 3k29 h GLN 147 Ca -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3k29 h GLN 147 Cb 1.41 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 3k29 h GLN 147 CO 0.14 0.67 0.07 -0.44 -0.67 0.00 0.00 178.83 178.60 3k29 h ASP 148 N 1.04 0.17 0.00 1.46 3.45 -1.01 -0.92 116.42 120.61 3k29 h ASP 148 Ca 0.41 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.77 3k29 h ASP 148 Cb 0.22 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3k29 h ASP 148 CO -0.19 0.22 0.00 -0.62 -1.57 0.00 0.00 179.24 177.08 3k29 n GLU 149 N -4.93 0.33 0.00 3.56 1.02 -0.43 -1.52 120.64 118.67 3k29 n GLU 149 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3k29 n GLU 149 Cb 0.08 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3k29 n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k29 n GLY 151 N 0.54 0.00 0.22 0.62 0.00 -0.35 -1.42 105.19 104.80 3k29 n GLY 151 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3k29 n GLY 151 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k29 h GLN 152 N 0.00 0.71 -0.23 1.61 1.08 -1.52 -1.83 115.11 114.93 3k29 h GLN 152 Ca 0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3k29 h GLN 152 Cb 0.00 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3k29 h GLN 152 CO 0.00 0.66 0.15 -0.07 -0.95 0.00 0.00 178.83 178.63 3k29 h LEU 153 N 0.61 0.27 -0.73 1.46 3.38 -1.51 0.25 115.31 119.05 3k29 h LEU 153 Ca 0.15 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.18 3k29 h LEU 153 Cb 0.24 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3k29 h LEU 153 CO -0.01 0.20 0.40 -0.07 0.09 0.00 0.00 178.44 179.06 3k29 h LEU 154 N 0.31 0.58 -0.35 1.67 3.38 -1.81 -1.36 115.31 117.73 3k29 h LEU 154 Ca 0.08 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 3k29 h LEU 154 Cb -0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3k29 h LEU 154 CO -0.02 0.35 -0.76 -0.74 0.09 0.00 0.00 178.44 177.37 3k29 h HIS 155 N 0.71 0.63 0.00 1.13 2.76 -0.75 -2.43 115.15 117.20 3k29 h HIS 155 Ca 0.34 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3k29 h HIS 155 Cb 0.27 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 3k29 h HIS 155 CO -0.08 1.06 -0.15 1.96 -1.30 0.00 0.00 177.93 179.41 3k29 h GLN 156 N 0.31 0.00 -0.19 5.26 4.20 -0.25 -1.64 115.11 122.79 3k29 h GLN 156 Ca -0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3k29 h GLN 156 Cb 1.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 3k29 h GLN 156 CO 0.13 0.15 -0.49 -0.07 -0.67 0.00 0.00 178.83 177.89 3k29 h LEU 157 N 0.00 0.57 -0.30 1.46 3.38 -0.86 -2.39 115.31 117.17 3k29 h LEU 157 Ca -0.00 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 3k29 h LEU 157 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3k29 h LEU 157 CO 0.02 0.96 -0.51 0.45 0.09 0.00 0.00 178.44 179.46 3k29 h HIS 158 N 0.41 0.00 -0.20 1.13 3.86 -1.05 -3.14 115.15 116.16 3k29 h HIS 158 Ca 0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 3k29 h HIS 158 Cb 1.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 3k29 h HIS 158 CO 0.04 0.51 -0.23 0.87 0.86 0.00 0.00 177.93 179.98 3k29 h LYS 159 N 0.00 0.51 0.00 2.45 1.57 -1.29 -2.94 116.57 116.87 3k29 h LYS 159 Ca -0.01 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3k29 h LYS 159 Cb 1.27 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3k29 h LYS 159 CO 0.07 0.87 0.00 0.94 -0.57 0.00 0.00 179.45 180.75 3k29 n GLN 160 N -4.41 0.22 0.31 3.15 7.27 -0.90 -3.07 117.38 119.94 3k29 n GLN 160 Ca -0.05 0.00 0.20 0.00 0.07 0.00 0.00 57.00 57.22 3k29 n GLN 160 Cb 0.43 -1.10 0.98 0.00 2.41 0.00 0.00 30.24 32.96 3k29 n GLN 160 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3k29 h LYS 161 N 0.00 0.00 0.00 3.69 1.79 -1.51 -3.50 116.57 117.04 3k29 h LYS 161 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k29 h LYS 161 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3k29 h LYS 161 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.38