#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9f s VAL 1 N 0.00 -0.06 0.38 3.17 1.01 -1.26 -5.05 120.40 118.58 1n9f s VAL 1 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1n9f s VAL 1 Cb 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.14 1n9f s VAL 1 CO 0.00 0.09 0.79 -0.76 0.00 0.00 0.00 175.10 175.22 1n9f s LEU 2 N 1.20 3.94 0.70 3.92 1.02 -1.26 -5.07 118.68 123.13 1n9f s LEU 2 Ca -0.08 1.31 -0.11 0.00 0.02 0.00 0.00 54.13 55.27 1n9f s LEU 2 Cb -0.12 -4.15 0.02 0.00 0.02 0.00 0.00 46.19 41.96 1n9f s LEU 2 CO -0.04 -0.32 1.08 -0.94 0.02 0.00 0.00 176.35 176.15 1n9f s SER 3 N -2.60 5.31 0.31 2.29 1.04 -1.26 -4.90 113.70 113.89 1n9f s SER 3 Ca 0.55 1.00 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 1n9f s SER 3 Cb -0.10 -1.77 0.50 0.00 0.10 0.00 0.00 66.02 64.75 1n9f s SER 3 CO 0.22 -1.39 1.97 -0.08 0.98 0.00 0.00 173.24 174.94 1n9f h GLU 4 N -0.64 0.98 -0.73 4.02 4.57 -1.98 -1.09 114.58 119.70 1n9f h GLU 4 Ca -0.45 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1n9f h GLU 4 Cb 1.27 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 1n9f h GLU 4 CO 0.64 0.67 0.46 0.78 -1.18 0.00 0.00 179.01 180.38 1n9f h GLY 5 N 1.02 1.05 0.91 1.92 0.00 -1.99 0.17 103.07 106.15 1n9f h GLY 5 Ca 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1n9f h GLY 5 CO -0.05 0.40 0.06 0.83 0.00 0.00 0.00 176.54 177.78 1n9f h GLU 6 N 0.99 0.58 -0.86 4.80 5.08 -1.83 -2.33 114.58 121.01 1n9f h GLU 6 Ca 0.26 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1n9f h GLU 6 Cb -0.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1n9f h GLU 6 CO -0.05 0.65 0.53 -1.49 -1.00 0.00 0.00 179.01 177.65 1n9f h TRP 7 N 0.41 1.12 -0.32 4.33 4.06 -0.75 -1.67 115.95 123.14 1n9f h TRP 7 Ca 0.11 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.00 1n9f h TRP 7 Cb 0.35 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1n9f h TRP 7 CO 0.02 0.74 -0.05 1.96 -3.56 0.00 0.00 178.44 177.55 1n9f h GLN 8 N 1.19 0.51 -0.32 0.49 1.08 -0.36 -0.67 115.11 117.03 1n9f h GLN 8 Ca 0.31 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1n9f h GLN 8 Cb -0.07 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1n9f h GLN 8 CO -0.06 0.58 -0.25 -0.07 -0.95 0.00 0.00 178.83 178.08 1n9f h LEU 9 N 0.49 0.65 -0.25 1.46 3.38 -0.84 -0.09 115.31 120.10 1n9f h LEU 9 Ca 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1n9f h LEU 9 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1n9f h LEU 9 CO 0.02 0.88 0.07 0.58 0.09 0.00 0.00 178.44 180.08 1n9f h VAL 10 N 0.55 1.20 0.00 1.22 2.07 -0.77 -2.95 116.25 117.57 1n9f h VAL 10 Ca 0.08 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1n9f h VAL 10 Cb 0.73 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1n9f h VAL 10 CO 0.06 0.21 -0.31 -0.07 0.02 0.00 0.00 177.57 177.48 1n9f h LEU 11 N 0.24 0.00 -0.42 2.57 3.38 -0.99 -1.73 115.31 118.36 1n9f h LEU 11 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1n9f h LEU 11 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n9f h LEU 11 CO -0.00 0.31 -0.61 0.45 0.09 0.00 0.00 178.44 178.68 1n9f h HIS 12 N 0.00 0.78 -0.05 1.13 3.86 -0.95 -1.56 115.15 118.36 1n9f h HIS 12 Ca -0.00 -0.30 -0.19 0.00 -1.16 0.00 0.00 60.37 58.72 1n9f h HIS 12 Cb 0.97 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1n9f h HIS 12 CO 0.00 1.06 -0.77 -0.24 0.86 0.00 0.00 177.93 178.84 1n9f h VAL 13 N 0.45 1.40 -0.07 2.45 3.04 -1.39 -3.13 116.25 119.00 1n9f h VAL 13 Ca -0.01 -2.25 -0.04 0.00 -1.01 0.00 0.00 66.70 63.39 1n9f h VAL 13 Cb 1.18 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 32.66 1n9f h VAL 13 CO 0.12 0.67 -0.13 -0.25 -1.01 0.00 0.00 177.57 176.97 1n9f h TRP 14 N 0.23 0.11 0.00 3.17 2.91 -1.13 -0.97 115.95 120.27 1n9f h TRP 14 Ca -0.04 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 1n9f h TRP 14 Cb 1.36 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.97 1n9f h TRP 14 CO 0.04 0.24 -0.13 0.00 -1.03 0.00 0.00 178.44 177.57 1n9f h ALA 15 N 1.76 1.68 0.19 2.65 0.00 -1.23 -0.53 119.26 123.78 1n9f h ALA 15 Ca 0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1n9f h ALA 15 Cb 0.30 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1n9f h ALA 15 CO 0.02 0.16 -1.36 0.87 0.00 0.00 0.00 179.25 178.93 1n9f h LYS 16 N 0.00 0.52 -0.78 0.00 1.79 -1.23 -3.16 116.57 113.70 1n9f h LYS 16 Ca -0.00 -0.81 0.14 0.00 -2.18 0.00 0.00 60.65 57.80 1n9f h LYS 16 Cb 0.24 0.29 -0.09 0.00 -1.58 0.00 0.00 32.23 31.09 1n9f h LYS 16 CO 0.02 1.38 0.36 0.28 -1.08 0.00 0.00 179.45 180.40 1n9f h VAL 17 N 0.18 0.70 0.00 0.50 2.07 -0.94 -1.45 116.25 117.31 1n9f h VAL 17 Ca -0.21 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1n9f h VAL 17 Cb 2.05 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1n9f h VAL 17 CO 0.25 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.32 1n9f n GLU 18 N -4.94 0.04 0.21 1.57 1.02 -0.26 -1.68 120.64 116.61 1n9f n GLU 18 Ca 0.15 0.28 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1n9f n GLU 18 Cb 0.41 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 30.79 1n9f n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9f h ALA 19 N 2.42 1.58 -0.30 0.62 0.00 -1.28 -3.38 119.26 118.92 1n9f h ALA 19 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1n9f h ALA 19 Cb 0.17 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.76 1n9f h ALA 19 CO 0.00 0.31 -0.52 -3.47 0.00 0.00 0.00 179.25 175.57 1n9f n ASP 20 N -4.23 -2.87 -0.15 0.00 2.03 -0.67 -5.01 116.55 105.65 1n9f n ASP 20 Ca -0.02 -3.20 0.01 0.00 0.52 0.00 0.00 54.79 52.10 1n9f n ASP 20 Cb 0.30 1.70 0.29 0.00 -0.72 0.00 0.00 41.12 42.69 1n9f n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1n9f h VAL 21 N 3.37 1.17 -0.19 5.18 3.04 -1.65 -2.46 116.25 124.71 1n9f h VAL 21 Ca -0.09 -0.37 0.01 0.00 -1.01 0.00 0.00 66.70 65.24 1n9f h VAL 21 Cb 1.04 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1n9f h VAL 21 CO 0.27 0.18 0.10 0.00 -1.01 0.00 0.00 177.57 177.11 1n9f h ALA 22 N 1.57 0.23 -0.71 3.17 0.00 -1.91 -0.36 119.26 121.25 1n9f h ALA 22 Ca 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1n9f h ALA 22 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1n9f h ALA 22 CO -0.05 -0.31 0.25 0.78 0.00 0.00 0.00 179.25 179.92 1n9f h GLY 23 N 0.22 1.16 1.06 0.00 0.00 -1.88 -1.83 103.07 101.80 1n9f h GLY 23 Ca 0.08 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 1n9f h GLY 23 CO -0.04 0.61 -0.11 0.45 0.00 0.00 0.00 176.54 177.45 1n9f h HIS 24 N 1.05 1.08 -0.86 5.60 3.86 -1.17 -2.30 115.15 122.40 1n9f h HIS 24 Ca 0.23 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1n9f h HIS 24 Cb 0.26 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1n9f h HIS 24 CO 0.02 1.03 0.52 0.78 0.86 0.00 0.00 177.93 181.13 1n9f h GLY 25 N 0.82 1.26 0.99 2.45 0.00 -0.70 -1.23 103.07 106.65 1n9f h GLY 25 Ca 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1n9f h GLY 25 CO 0.05 0.51 0.26 1.46 0.00 0.00 0.00 176.54 178.81 1n9f h GLN 26 N 1.19 0.51 -0.56 4.80 4.20 -1.20 -1.48 115.11 122.56 1n9f h GLN 26 Ca 0.31 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 1n9f h GLN 26 Cb -0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1n9f h GLN 26 CO -0.06 0.34 0.20 -0.44 -0.67 0.00 0.00 178.83 178.20 1n9f h ASP 27 N 0.52 0.80 -0.44 1.46 3.32 -1.21 -0.66 116.42 120.23 1n9f h ASP 27 Ca 0.15 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1n9f h ASP 27 Cb -0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1n9f h ASP 27 CO -0.04 0.78 0.28 0.40 -1.72 0.00 0.00 179.24 178.94 1n9f h ILE 28 N 0.78 1.09 -0.58 0.35 2.04 -1.06 -0.97 117.51 119.15 1n9f h ILE 28 Ca 0.18 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1n9f h ILE 28 Cb 0.25 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1n9f h ILE 28 CO -0.01 0.10 0.19 1.88 0.00 0.00 0.00 178.15 180.31 1n9f h TYR 29 N 0.56 0.93 -0.72 1.37 0.05 -1.08 -0.28 116.97 117.80 1n9f h TYR 29 Ca 0.17 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1n9f h TYR 29 Cb -0.04 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.40 1n9f h TYR 29 CO -0.05 0.78 0.44 0.82 -1.05 0.00 0.00 178.16 179.09 1n9f h ILE 30 N 0.82 1.20 -0.43 -2.88 2.04 -0.97 0.46 117.51 117.76 1n9f h ILE 30 Ca 0.19 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1n9f h ILE 30 Cb 0.27 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1n9f h ILE 30 CO -0.01 0.21 -0.04 -0.09 0.00 0.00 0.00 178.15 178.22 1n9f h ARG 31 N 0.98 0.79 -0.09 2.37 9.65 -0.92 -0.13 114.38 127.04 1n9f h ARG 31 Ca 0.26 -0.27 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1n9f h ARG 31 Cb -0.05 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1n9f h ARG 31 CO -0.05 0.88 0.05 1.25 2.80 0.00 0.00 179.97 184.89 1n9f h LEU 32 N 0.62 0.11 -0.94 3.80 5.85 -0.64 -0.83 115.31 123.27 1n9f h LEU 32 Ca 0.12 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1n9f h LEU 32 Cb 0.55 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1n9f h LEU 32 CO 0.03 0.17 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.66 1n9f h PHE 33 N 0.04 0.34 -0.18 1.25 0.04 -0.79 0.32 116.94 117.96 1n9f h PHE 33 Ca 0.03 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 1n9f h PHE 33 Cb 0.09 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 1n9f h PHE 33 CO -0.04 0.64 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.84 1n9f h LYS 34 N 0.25 0.48 -0.12 1.51 3.64 -0.92 -3.01 116.57 118.40 1n9f h LYS 34 Ca 0.03 -0.28 -0.21 0.00 -1.27 0.00 0.00 60.65 58.92 1n9f h LYS 34 Cb 0.79 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1n9f h LYS 34 CO 0.06 0.87 -0.77 0.77 -2.27 0.00 0.00 179.45 178.11 1n9f h SER 35 N 0.12 0.78 -2.23 4.20 0.02 -0.95 -3.39 113.55 112.10 1n9f h SER 35 Ca 0.02 -0.52 -0.58 0.00 -0.84 0.00 0.00 61.79 59.87 1n9f h SER 35 Cb 0.82 -0.23 -0.39 0.00 0.14 0.00 0.00 62.40 62.73 1n9f h SER 35 CO 0.06 1.30 -0.96 1.41 -1.14 0.00 0.00 176.83 177.50 1n9f n HIS 36 N -3.90 0.27 0.23 3.45 8.25 0.08 -5.00 115.22 118.61 1n9f n HIS 36 Ca -0.06 -3.62 0.18 0.00 -0.26 0.00 0.00 57.72 53.96 1n9f n HIS 36 Cb 0.74 -0.20 0.84 0.00 1.12 0.00 0.00 29.99 32.48 1n9f n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1n9f h PRO 37 N 4.66 0.00 0.00 -0.41 0.11 -1.70 -1.16 132.00 133.49 1n9f h PRO 37 Ca 0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1n9f h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1n9f h PRO 37 CO 0.50 0.00 -0.14 1.05 -0.21 0.00 0.00 178.00 179.20 1n9f h GLU 38 N 0.00 0.00 -0.12 1.05 9.09 -1.92 -2.26 114.58 120.42 1n9f h GLU 38 Ca 0.08 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.44 1n9f h GLU 38 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 1n9f h GLU 38 CO -0.00 0.14 -0.14 1.79 0.05 0.00 0.00 179.01 180.85 1n9f h THR 39 N 0.00 1.17 0.00 -1.06 1.35 -1.55 -2.47 112.91 110.35 1n9f h THR 39 Ca -0.00 -0.77 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 1n9f h THR 39 Cb 0.28 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1n9f h THR 39 CO 0.02 0.23 -0.19 0.25 -0.25 0.00 0.00 175.52 175.59 1n9f h LEU 40 N 0.18 0.00 -2.69 3.87 5.85 -1.57 -2.30 115.31 118.66 1n9f h LEU 40 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1n9f h LEU 40 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1n9f h LEU 40 CO 0.02 0.19 0.00 -0.33 -0.34 0.00 0.00 178.44 177.98 1n9f h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.57 -1.94 114.58 117.40 1n9f h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n9f h GLU 41 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1n9f h GLU 41 CO 0.02 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.90 1n9f h LYS 42 N 0.00 0.00 -5.05 2.33 1.79 -1.56 -3.42 116.57 110.67 1n9f h LYS 42 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 1n9f h LYS 42 Cb 0.06 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.54 1n9f h LYS 42 CO 0.00 0.00 0.20 -0.06 -1.08 0.00 0.00 179.45 178.51 1n9f s PHE 43 N -3.30 2.95 0.40 -1.35 0.40 -0.73 -4.92 117.98 111.42 1n9f s PHE 43 Ca 0.06 -0.62 0.07 0.00 -0.60 0.00 0.00 56.93 55.84 1n9f s PHE 43 Cb 0.07 -3.87 0.81 0.00 0.51 0.00 0.00 43.02 40.54 1n9f s PHE 43 CO 0.63 -1.25 2.02 -0.44 0.70 0.00 0.00 175.22 176.89 1n9f h ASP 44 N 9.18 0.48 1.35 1.36 3.32 -1.85 0.10 116.42 130.36 1n9f h ASP 44 Ca -0.28 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 1n9f h ASP 44 Cb 1.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1n9f h ASP 44 CO 1.06 0.39 -0.20 0.03 -1.72 0.00 0.00 179.24 178.79 1n9f h ARG 45 N 0.55 0.00 -0.00 3.56 3.08 -1.95 -3.37 114.38 116.24 1n9f h ARG 45 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1n9f h ARG 45 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1n9f h ARG 45 CO -0.02 0.20 -0.03 1.19 -1.07 0.00 0.00 179.97 180.23 1n9f n PHE 46 N -3.23 0.00 0.20 3.04 3.72 -0.64 -4.77 117.46 115.78 1n9f n PHE 46 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.50 1n9f n PHE 46 Cb 0.51 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.44 1n9f n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1n9f n LYS 47 N -0.51 0.10 0.12 -1.08 2.85 0.27 -1.36 118.16 118.55 1n9f n LYS 47 Ca 0.01 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 57.91 1n9f n LYS 47 Cb 0.03 -1.78 0.33 0.00 -0.65 0.00 0.00 35.03 32.96 1n9f n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1n9f h HIS 48 N 0.00 0.00 -2.72 5.58 2.07 -1.86 -3.47 115.15 114.76 1n9f h HIS 48 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1n9f h HIS 48 Cb 0.10 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.13 1n9f h HIS 48 CO 0.00 0.00 0.97 -0.51 -3.07 0.00 0.00 177.93 175.32 1n9f s LEU 49 N -4.79 4.37 -0.17 6.12 1.43 -0.47 -4.91 118.68 120.25 1n9f s LEU 49 Ca 0.09 2.73 0.19 0.00 -1.03 0.00 0.00 54.13 56.10 1n9f s LEU 49 Cb 0.11 -3.59 -0.26 0.00 0.03 0.00 0.00 46.19 42.48 1n9f s LEU 49 CO 0.63 -0.91 0.14 0.29 0.23 0.00 0.00 176.35 176.73 1n9f n LYS 50 N 4.29 0.69 -4.25 1.70 5.02 -1.26 -5.03 118.16 119.31 1n9f n LYS 50 Ca 0.15 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1n9f n LYS 50 Cb 0.37 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 1n9f n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n9f s THR 51 N -2.65 0.57 0.29 -0.18 -4.23 -1.26 -5.04 115.64 103.14 1n9f s THR 51 Ca -0.10 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1n9f s THR 51 Cb 0.07 -2.26 0.16 0.00 1.34 0.00 0.00 72.50 71.81 1n9f s THR 51 CO 0.84 -0.33 1.85 -0.08 -0.54 0.00 0.00 174.62 176.35 1n9f h GLU 52 N 2.63 0.78 -0.88 3.99 4.81 -1.98 -1.92 114.58 122.00 1n9f h GLU 52 Ca -0.37 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1n9f h GLU 52 Cb 1.22 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1n9f h GLU 52 CO 0.61 0.70 0.57 0.00 -0.73 0.00 0.00 179.01 180.17 1n9f h ALA 53 N 1.39 1.12 -0.27 2.92 0.00 -1.99 0.13 119.26 122.56 1n9f h ALA 53 Ca 0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1n9f h ALA 53 Cb 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1n9f h ALA 53 CO -0.00 0.54 -0.32 0.93 0.00 0.00 0.00 179.25 180.40 1n9f h GLU 54 N 1.20 0.58 -0.46 0.00 5.08 -1.82 -2.03 114.58 117.14 1n9f h GLU 54 Ca 0.32 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1n9f h GLU 54 Cb -0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1n9f h GLU 54 CO -0.07 0.83 0.03 0.52 -1.00 0.00 0.00 179.01 179.32 1n9f h MET 55 N 0.49 0.80 -0.20 2.33 2.86 -0.76 -2.29 114.93 118.16 1n9f h MET 55 Ca 0.06 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1n9f h MET 55 Cb 0.80 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1n9f h MET 55 CO 0.07 0.84 -0.16 -0.22 1.06 0.00 0.00 176.91 178.50 1n9f h LYS 56 N 0.65 0.33 -0.00 1.72 1.63 -0.60 -2.77 116.57 117.55 1n9f h LYS 56 Ca 0.13 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1n9f h LYS 56 Cb 0.46 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1n9f h LYS 56 CO 0.02 0.49 -0.20 0.00 -3.45 0.00 0.00 179.45 176.32 1n9f n ALA 57 N -2.48 2.83 -2.36 5.00 0.00 -0.78 -4.83 120.51 117.89 1n9f n ALA 57 Ca -0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 1n9f n ALA 57 Cb 0.31 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1n9f n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n9f s SER 58 N -2.93 6.49 0.24 0.00 0.15 -0.88 -4.90 113.70 111.87 1n9f s SER 58 Ca 0.15 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.86 1n9f s SER 58 Cb 0.19 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.23 1n9f s SER 58 CO 0.58 -1.26 1.65 -0.08 1.20 0.00 0.00 173.24 175.33 1n9f h GLU 59 N 10.07 0.58 -0.50 5.44 4.57 -1.89 -2.00 114.58 130.85 1n9f h GLU 59 Ca -0.27 -0.25 -0.13 0.00 -1.18 0.00 0.00 59.36 57.53 1n9f h GLU 59 Cb 1.11 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1n9f h GLU 59 CO 1.05 0.82 -0.19 -0.44 -1.18 0.00 0.00 179.01 179.08 1n9f h ASP 60 N 0.50 1.02 -0.72 1.04 3.32 -1.97 -1.24 116.42 118.35 1n9f h ASP 60 Ca 0.06 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1n9f h ASP 60 Cb 0.78 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1n9f h ASP 60 CO 0.06 1.17 0.26 0.25 -1.72 0.00 0.00 179.24 179.26 1n9f h LEU 61 N 0.87 1.03 -0.49 1.55 5.85 -1.87 -1.14 115.31 121.12 1n9f h LEU 61 Ca 0.12 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1n9f h LEU 61 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1n9f h LEU 61 CO 0.06 0.94 0.32 0.50 -0.34 0.00 0.00 178.44 179.92 1n9f h LYS 62 N 1.08 0.64 -0.69 1.25 3.64 -1.01 0.11 116.57 121.58 1n9f h LYS 62 Ca 0.24 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1n9f h LYS 62 Cb 0.26 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1n9f h LYS 62 CO -0.01 0.44 0.33 0.87 -2.27 0.00 0.00 179.45 178.80 1n9f h LYS 63 N 0.66 0.98 -0.40 1.90 1.57 -0.86 -1.94 116.57 118.47 1n9f h LYS 63 Ca 0.18 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1n9f h LYS 63 Cb -0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1n9f h LYS 63 CO -0.04 0.76 0.16 0.37 -0.57 0.00 0.00 179.45 180.14 1n9f h GLN 64 N 0.98 0.60 -0.90 3.15 5.75 -0.84 -1.96 115.11 121.88 1n9f h GLN 64 Ca 0.24 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1n9f h GLN 64 Cb 0.11 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 1n9f h GLN 64 CO -0.03 0.56 0.58 0.78 -2.65 0.00 0.00 178.83 178.08 1n9f h GLY 65 N 0.51 1.32 0.94 2.39 0.00 -0.52 -1.04 103.07 106.67 1n9f h GLY 65 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1n9f h GLY 65 CO -0.01 0.37 0.16 -2.08 0.00 0.00 0.00 176.54 174.98 1n9f h VAL 66 N 1.13 1.17 -0.32 4.60 2.07 -1.10 -1.25 116.25 122.55 1n9f h VAL 66 Ca 0.36 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1n9f h VAL 66 Cb 0.01 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1n9f h VAL 66 CO -0.12 0.19 0.08 -0.09 0.02 0.00 0.00 177.57 177.64 1n9f h ARG 67 N 0.43 0.19 0.16 1.57 2.43 -0.75 -1.25 114.38 117.16 1n9f h ARG 67 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1n9f h ARG 67 Cb 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1n9f h ARG 67 CO -0.01 0.13 -0.08 0.28 -1.51 0.00 0.00 179.97 178.78 1n9f h VAL 68 N 0.20 0.88 -0.09 0.20 2.07 -1.12 -1.33 116.25 117.05 1n9f h VAL 68 Ca 0.15 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1n9f h VAL 68 Cb 0.15 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1n9f h VAL 68 CO -0.19 0.04 -0.34 -0.07 0.02 0.00 0.00 177.57 177.03 1n9f h LEU 69 N -0.29 0.18 -0.17 2.57 3.38 -1.22 -0.12 115.31 119.64 1n9f h LEU 69 Ca -0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1n9f h LEU 69 Cb 0.22 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1n9f h LEU 69 CO 0.04 0.52 -0.21 0.74 0.09 0.00 0.00 178.44 179.62 1n9f h THR 70 N 0.16 1.34 -0.53 0.22 2.02 -1.17 0.16 112.91 115.12 1n9f h THR 70 Ca 0.02 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 65.82 1n9f h THR 70 Cb 0.68 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1n9f h THR 70 CO 0.05 0.42 0.32 0.00 0.37 0.00 0.00 175.52 176.68 1n9f h ALA 71 N 0.61 0.67 -0.65 6.16 0.00 -1.04 -1.00 119.26 124.01 1n9f h ALA 71 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n9f h ALA 71 Cb 0.76 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1n9f h ALA 71 CO 0.05 0.04 0.16 1.25 0.00 0.00 0.00 179.25 180.75 1n9f h LEU 72 N 0.65 0.99 -1.13 0.00 5.85 -0.97 -2.33 115.31 118.36 1n9f h LEU 72 Ca 0.21 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1n9f h LEU 72 Cb -0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1n9f h LEU 72 CO -0.08 0.97 0.53 1.23 -0.34 0.00 0.00 178.44 180.75 1n9f h GLY 73 N 0.97 1.19 1.71 3.75 0.00 -0.50 0.63 103.07 110.82 1n9f h GLY 73 Ca 0.20 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1n9f h GLY 73 CO 0.00 0.46 -0.31 0.00 0.00 0.00 0.00 176.54 176.69 1n9f h ALA 74 N 1.44 1.16 -0.13 3.60 0.00 -0.87 -1.35 119.26 123.11 1n9f h ALA 74 Ca 0.30 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1n9f h ALA 74 Cb -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1n9f h ALA 74 CO -0.06 0.54 -0.07 0.82 0.00 0.00 0.00 179.25 180.48 1n9f h ILE 75 N 0.29 1.32 -0.83 0.00 2.04 -0.76 -3.06 117.51 116.51 1n9f h ILE 75 Ca 0.04 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1n9f h ILE 75 Cb 0.70 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1n9f h ILE 75 CO 0.05 0.33 0.49 -0.07 0.00 0.00 0.00 178.15 178.95 1n9f h LEU 76 N -0.07 1.00 -0.75 1.44 3.38 -0.68 -1.97 115.31 117.67 1n9f h LEU 76 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1n9f h LEU 76 Cb 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n9f h LEU 76 CO 0.02 0.77 0.00 0.29 0.09 0.00 0.00 178.44 179.61 1n9f n LYS 77 N -4.37 0.14 0.04 1.13 5.02 -0.53 -0.87 118.16 118.72 1n9f n LYS 77 Ca 0.09 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 1n9f n LYS 77 Cb 0.07 -1.82 0.51 0.00 -0.02 0.00 0.00 35.03 33.77 1n9f n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n9f n LYS 78 N -2.09 0.11 -3.88 1.97 4.76 -0.74 -4.93 118.16 113.36 1n9f n LYS 78 Ca 0.01 0.09 -0.30 0.00 -2.87 0.00 0.00 58.31 55.24 1n9f n LYS 78 Cb 0.15 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1n9f n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1n9f n LYS 79 N -1.81 -2.21 0.00 1.97 5.02 -0.05 -1.83 118.16 119.24 1n9f n LYS 79 Ca 0.06 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1n9f n LYS 79 Cb 0.38 -4.17 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 1n9f n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n9f n GLY 80 N -1.90 2.61 2.70 0.72 0.00 -1.26 -4.96 105.19 103.09 1n9f n GLY 80 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1n9f n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n9f n HIS 81 N -2.00 2.63 -1.19 1.61 8.25 -0.76 -4.67 115.22 119.08 1n9f n HIS 81 Ca 0.00 -2.65 0.06 0.00 -0.26 0.00 0.00 57.72 54.87 1n9f n HIS 81 Cb 0.00 -1.44 0.20 0.00 1.12 0.00 0.00 29.99 29.87 1n9f n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1n9f n HIS 82 N 1.06 0.57 -0.22 4.41 1.44 -1.26 -4.74 115.22 116.47 1n9f n HIS 82 Ca 0.46 -1.15 -0.02 0.00 -2.01 0.00 0.00 57.72 54.99 1n9f n HIS 82 Cb 0.28 -0.30 0.08 0.00 0.12 0.00 0.00 29.99 30.18 1n9f n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1n9f h GLU 83 N 0.96 0.64 -0.62 -1.40 4.57 -2.00 -0.40 114.58 116.33 1n9f h GLU 83 Ca 0.05 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1n9f h GLU 83 Cb 1.30 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 1n9f h GLU 83 CO 0.16 0.42 0.22 0.00 -1.18 0.00 0.00 179.01 178.63 1n9f h ALA 84 N 1.32 0.81 -0.21 2.92 0.00 -2.01 -2.55 119.26 119.55 1n9f h ALA 84 Ca 0.28 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1n9f h ALA 84 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1n9f h ALA 84 CO -0.17 0.46 -0.30 0.93 0.00 0.00 0.00 179.25 180.18 1n9f h GLU 85 N 0.89 0.41 0.00 0.00 3.07 -1.80 -3.18 114.58 113.97 1n9f h GLU 85 Ca 0.20 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 1n9f h GLU 85 Cb 0.26 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1n9f h GLU 85 CO -0.01 0.67 -0.59 -0.07 -1.40 0.00 0.00 179.01 177.61 1n9f h LEU 86 N 0.36 0.00 0.07 1.33 4.07 -0.82 -3.34 115.31 116.98 1n9f h LEU 86 Ca 0.05 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.02 1n9f h LEU 86 Cb 0.71 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.42 1n9f h LEU 86 CO 0.05 0.59 -0.31 0.11 -1.08 0.00 0.00 178.44 177.80 1n9f h LYS 87 N 0.00 -0.42 -0.41 1.13 1.57 -1.44 0.11 116.57 117.11 1n9f h LYS 87 Ca -0.01 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1n9f h LYS 87 Cb 1.24 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1n9f h LYS 87 CO 0.08 -0.28 0.18 -1.00 -0.57 0.00 0.00 179.45 177.85 1n9f h PRO 88 N -0.44 0.58 -0.15 3.15 0.13 -1.76 -1.33 132.00 132.18 1n9f h PRO 88 Ca -0.00 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1n9f h PRO 88 Cb 0.44 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 1n9f h PRO 88 CO -0.17 0.48 -0.12 1.25 -0.23 0.00 0.00 178.00 179.21 1n9f h LEU 89 N 0.58 0.37 -0.89 1.56 5.85 -1.63 -1.22 115.31 119.94 1n9f h LEU 89 Ca 0.14 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1n9f h LEU 89 Cb 0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1n9f h LEU 89 CO -0.02 0.75 0.59 0.00 -0.34 0.00 0.00 178.44 179.42 1n9f h ALA 90 N 0.63 1.13 -0.01 1.25 0.00 -0.64 -0.83 119.26 120.79 1n9f h ALA 90 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n9f h ALA 90 Cb 0.63 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n9f h ALA 90 CO 0.03 0.52 0.00 0.37 0.00 0.00 0.00 179.25 180.18 1n9f h GLN 91 N 1.20 0.02 -0.55 0.00 4.15 -1.05 0.11 115.11 119.00 1n9f h GLN 91 Ca 0.33 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 1n9f h GLN 91 Cb -0.13 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1n9f h GLN 91 CO -0.07 0.22 0.21 0.66 -1.93 0.00 0.00 178.83 177.91 1n9f h SER 92 N -0.18 0.76 0.40 -0.69 4.64 -1.12 -0.98 113.55 116.39 1n9f h SER 92 Ca 0.00 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.01 1n9f h SER 92 Cb 0.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1n9f h SER 92 CO -0.00 0.73 -0.58 0.45 -0.87 0.00 0.00 176.83 176.57 1n9f h HIS 93 N 0.75 0.23 0.00 4.77 3.86 -1.09 0.18 115.15 123.85 1n9f h HIS 93 Ca 0.18 -0.08 -0.17 0.00 -1.16 0.00 0.00 60.37 59.14 1n9f h HIS 93 Cb 0.22 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.66 1n9f h HIS 93 CO 0.01 0.71 -0.66 0.00 0.86 0.00 0.00 177.93 178.85 1n9f h ALA 94 N 1.27 0.07 0.00 2.45 0.00 -0.90 -0.03 119.26 122.12 1n9f h ALA 94 Ca -0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 54.91 53.97 1n9f h ALA 94 Cb 1.06 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1n9f h ALA 94 CO 0.09 0.39 -2.32 2.41 0.00 0.00 0.00 179.25 179.82 1n9f n THR 95 N -4.17 1.32 -0.08 0.00 -1.04 -0.38 -3.93 114.28 106.00 1n9f n THR 95 Ca -0.11 -0.56 -0.15 0.00 -2.04 0.00 0.00 64.05 61.20 1n9f n THR 95 Cb 0.70 -1.18 -0.09 0.00 -1.82 0.00 0.00 70.33 67.95 1n9f n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1n9f h LYS 96 N 0.00 0.00 0.00 -2.82 3.64 -0.85 -3.42 116.57 113.12 1n9f h LYS 96 Ca -0.52 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.72 1n9f h LYS 96 Cb 1.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.66 1n9f h LYS 96 CO -0.06 0.71 -1.43 0.72 -2.27 0.00 0.00 179.45 177.11 1n9f n HIS 97 N -4.54 0.87 -3.27 1.91 8.25 0.02 -5.01 115.22 113.44 1n9f n HIS 97 Ca -0.19 0.28 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 1n9f n HIS 97 Cb 0.49 -1.02 0.04 0.00 1.12 0.00 0.00 29.99 30.61 1n9f n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1n9f n LYS 98 N -2.80 -1.73 -3.56 -0.41 5.02 -0.43 -5.00 118.16 109.26 1n9f n LYS 98 Ca -0.09 1.03 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 1n9f n LYS 98 Cb 0.79 -5.38 -0.10 0.00 -0.02 0.00 0.00 35.03 30.32 1n9f n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n9f s ILE 99 N -3.24 4.59 0.87 -0.18 -1.09 -0.16 -5.03 121.20 116.96 1n9f s ILE 99 Ca 0.27 -1.09 -0.11 0.00 -2.23 0.00 0.00 60.65 57.49 1n9f s ILE 99 Cb -0.05 -3.68 0.12 0.00 -1.58 0.00 0.00 42.46 37.27 1n9f s ILE 99 CO 0.77 -0.40 1.17 -2.16 -1.23 0.00 0.00 174.94 173.09 1n9f s PRO 100 N 1.53 1.28 0.38 2.79 0.04 -1.26 -4.79 135.00 134.97 1n9f s PRO 100 Ca 0.03 1.62 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1n9f s PRO 100 Cb -0.21 -1.75 0.74 0.00 0.04 0.00 0.00 34.50 33.32 1n9f s PRO 100 CO 0.05 -2.45 2.02 0.82 0.04 0.00 0.00 177.00 177.49 1n9f h ILE 101 N -1.48 1.14 -0.91 0.56 1.08 -0.58 -0.82 117.51 116.50 1n9f h ILE 101 Ca -0.44 -0.28 0.09 0.00 -0.39 0.00 0.00 64.86 63.83 1n9f h ILE 101 Cb 1.28 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 1n9f h ILE 101 CO 0.43 0.14 0.58 0.50 -0.69 0.00 0.00 178.15 179.12 1n9f h LYS 102 N 0.68 0.91 0.00 2.37 3.64 -1.91 0.83 116.57 123.09 1n9f h LYS 102 Ca 0.18 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1n9f h LYS 102 Cb -0.05 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1n9f h LYS 102 CO -0.04 0.60 -0.49 1.88 -2.27 0.00 0.00 179.45 179.14 1n9f h TYR 103 N 0.94 0.00 -0.19 1.91 -1.99 -1.50 -1.59 116.97 114.54 1n9f h TYR 103 Ca 0.41 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.03 1n9f h TYR 103 Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1n9f h TYR 103 CO -0.00 0.49 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.22 1n9f h LEU 104 N 0.00 0.43 -0.35 3.88 3.38 -0.61 -1.49 115.31 120.54 1n9f h LEU 104 Ca -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1n9f h LEU 104 Cb 1.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1n9f h LEU 104 CO 0.06 0.75 0.13 -0.33 0.09 0.00 0.00 178.44 179.15 1n9f h GLU 105 N 0.35 0.54 -0.58 1.13 5.08 -0.77 -1.60 114.58 118.73 1n9f h GLU 105 Ca 0.04 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1n9f h GLU 105 Cb 0.79 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1n9f h GLU 105 CO 0.06 0.54 0.30 0.74 -1.00 0.00 0.00 179.01 179.65 1n9f h PHE 106 N 0.42 0.55 -0.10 4.33 0.04 -0.91 -1.36 116.94 119.91 1n9f h PHE 106 Ca 0.12 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 1n9f h PHE 106 Cb 0.21 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1n9f h PHE 106 CO 0.00 0.25 -0.43 0.97 -0.60 0.00 0.00 178.31 178.50 1n9f h ILE 107 N 0.56 1.32 -0.83 -0.55 2.10 -1.22 -1.80 117.51 117.08 1n9f h ILE 107 Ca 0.26 -1.57 -0.02 0.00 1.08 0.00 0.00 64.86 64.62 1n9f h ILE 107 Cb 0.18 1.72 -0.04 0.00 -1.09 0.00 0.00 36.82 37.59 1n9f h ILE 107 CO -0.18 0.47 0.46 0.28 -1.08 0.00 0.00 178.15 178.10 1n9f h SER 108 N 0.19 1.04 -0.70 2.19 0.02 -0.88 -0.49 113.55 114.93 1n9f h SER 108 Ca 0.02 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1n9f h SER 108 Cb 0.85 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1n9f h SER 108 CO 0.07 0.84 0.35 -0.08 -1.14 0.00 0.00 176.83 176.86 1n9f h GLU 109 N 1.16 1.00 -0.58 3.45 4.81 -0.89 -1.48 114.58 122.05 1n9f h GLU 109 Ca 0.29 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1n9f h GLU 109 Cb 0.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1n9f h GLU 109 CO -0.05 0.78 0.07 0.00 -0.73 0.00 0.00 179.01 179.08 1n9f h ALA 110 N 1.17 1.03 -0.41 2.92 0.00 -0.94 -0.23 119.26 122.80 1n9f h ALA 110 Ca 0.24 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1n9f h ALA 110 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1n9f h ALA 110 CO -0.03 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.72 1n9f h ILE 111 N 0.89 1.24 -0.65 0.00 2.04 -0.76 -0.88 117.51 119.39 1n9f h ILE 111 Ca 0.18 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1n9f h ILE 111 Cb 0.43 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1n9f h ILE 111 CO 0.01 0.30 0.22 0.40 0.00 0.00 0.00 178.15 179.09 1n9f h ILE 112 N 0.54 1.25 -0.22 -0.67 2.04 -1.07 -0.34 117.51 119.04 1n9f h ILE 112 Ca 0.13 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1n9f h ILE 112 Cb 0.37 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1n9f h ILE 112 CO 0.01 0.32 0.12 -0.74 0.00 0.00 0.00 178.15 177.86 1n9f h HIS 113 N 0.94 0.30 -0.57 1.37 2.76 -0.74 0.26 115.15 119.47 1n9f h HIS 113 Ca 0.21 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1n9f h HIS 113 Cb 0.27 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1n9f h HIS 113 CO 0.02 0.26 0.03 0.28 -1.30 0.00 0.00 177.93 177.22 1n9f h VAL 114 N 0.25 1.26 -0.51 5.26 2.07 -0.93 -1.81 116.25 121.85 1n9f h VAL 114 Ca 0.08 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1n9f h VAL 114 Cb 0.06 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1n9f h VAL 114 CO -0.01 0.39 0.06 -0.07 0.02 0.00 0.00 177.57 177.96 1n9f h LEU 115 N 0.88 0.77 -1.08 2.57 3.38 -0.97 -0.04 115.31 120.83 1n9f h LEU 115 Ca 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1n9f h LEU 115 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1n9f h LEU 115 CO 0.02 0.80 0.19 -0.74 0.09 0.00 0.00 178.44 178.80 1n9f h HIS 116 N 0.77 0.86 -0.10 1.13 2.76 -0.69 -0.97 115.15 118.91 1n9f h HIS 116 Ca 0.16 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1n9f h HIS 116 Cb 0.38 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1n9f h HIS 116 CO 0.02 0.69 -0.25 1.03 -1.30 0.00 0.00 177.93 178.12 1n9f h SER 117 N 0.82 0.39 0.79 3.26 0.87 -0.93 -3.37 113.55 115.39 1n9f h SER 117 Ca 0.19 -0.58 -0.24 0.00 -1.23 0.00 0.00 61.79 59.92 1n9f h SER 117 Cb 0.23 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1n9f h SER 117 CO -0.01 0.91 -1.25 0.03 -0.53 0.00 0.00 176.83 175.98 1n9f h ARG 118 N -0.10 0.04 -1.90 2.24 3.08 -0.95 -3.41 114.38 113.38 1n9f h ARG 118 Ca -0.00 -0.08 -0.54 0.00 0.07 0.00 0.00 59.98 59.43 1n9f h ARG 118 Cb 0.86 0.03 -0.41 0.00 0.08 0.00 0.00 29.97 30.52 1n9f h ARG 118 CO 0.05 0.90 -0.83 0.72 -1.07 0.00 0.00 179.97 179.75 1n9f n HIS 119 N -3.30 2.87 0.24 3.04 8.25 -0.38 -4.87 115.22 121.07 1n9f n HIS 119 Ca -0.06 -3.61 0.09 0.00 -0.26 0.00 0.00 57.72 53.88 1n9f n HIS 119 Cb 0.98 -0.36 0.64 0.00 1.12 0.00 0.00 29.99 32.38 1n9f n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1n9f h PRO 120 N 2.88 0.00 0.00 -0.41 0.13 -1.76 0.31 132.00 133.15 1n9f h PRO 120 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1n9f h PRO 120 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1n9f h PRO 120 CO 0.73 0.00 -0.09 0.78 -0.23 0.00 0.00 178.00 179.20 1n9f h GLY 121 N 0.00 0.00 -0.11 1.56 0.00 -1.95 -3.20 103.07 99.37 1n9f h GLY 121 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1n9f h GLY 121 CO -0.00 0.00 -0.05 0.70 0.00 0.00 0.00 176.54 177.19 1n9f n ASN 122 N -3.57 0.88 -2.70 0.19 3.02 -0.54 -4.84 115.26 107.71 1n9f n ASN 122 Ca -0.02 -1.62 -0.13 0.00 -0.03 0.00 0.00 54.58 52.78 1n9f n ASN 122 Cb 0.21 -0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1n9f n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n9f n PHE 123 N -0.29 1.38 -0.99 3.10 7.35 0.97 -4.52 117.46 124.46 1n9f n PHE 123 Ca 0.01 -2.96 -0.05 0.00 -0.76 0.00 0.00 57.45 53.69 1n9f n PHE 123 Cb 0.45 -0.35 0.04 0.00 0.35 0.00 0.00 39.48 39.96 1n9f n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1n9f n GLY 124 N -0.08 -1.57 0.22 7.13 0.00 -1.25 -4.60 105.19 105.04 1n9f n GLY 124 Ca 0.15 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 1n9f n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9f h ALA 125 N -2.01 0.65 -0.57 4.61 0.00 -1.98 -1.00 119.26 118.95 1n9f h ALA 125 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1n9f h ALA 125 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1n9f h ALA 125 CO 0.05 0.12 0.26 -0.44 0.00 0.00 0.00 179.25 179.24 1n9f h ASP 126 N 0.69 0.76 -0.59 0.00 3.32 -1.99 -1.48 116.42 117.13 1n9f h ASP 126 Ca 0.19 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1n9f h ASP 126 Cb -0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1n9f h ASP 126 CO -0.04 0.69 0.01 0.00 -1.72 0.00 0.00 179.24 178.18 1n9f h ALA 127 N 1.10 0.86 -0.56 3.45 0.00 -1.82 -0.68 119.26 121.61 1n9f h ALA 127 Ca 0.20 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1n9f h ALA 127 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n9f h ALA 127 CO -0.02 0.67 0.21 0.37 0.00 0.00 0.00 179.25 180.48 1n9f h GLN 128 N 0.97 0.85 -0.33 0.00 4.15 -1.07 -0.15 115.11 119.53 1n9f h GLN 128 Ca 0.17 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.48 1n9f h GLN 128 Cb 0.55 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 1n9f h GLN 128 CO 0.03 0.74 0.05 0.78 -1.93 0.00 0.00 178.83 178.50 1n9f h GLY 129 N 0.77 0.36 1.03 2.39 0.00 -1.01 0.62 103.07 107.24 1n9f h GLY 129 Ca 0.19 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1n9f h GLY 129 CO -0.01 -0.03 0.24 0.00 0.00 0.00 0.00 176.54 176.73 1n9f h ALA 130 N 1.25 0.90 -0.58 3.60 0.00 -0.75 -1.75 119.26 121.93 1n9f h ALA 130 Ca 0.16 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1n9f h ALA 130 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n9f h ALA 130 CO -0.22 0.56 -0.02 1.98 0.00 0.00 0.00 179.25 181.55 1n9f h MET 131 N 1.00 1.02 -0.60 0.00 -1.53 -0.70 -1.24 114.93 112.88 1n9f h MET 131 Ca 0.23 -0.33 0.04 0.00 -3.44 0.00 0.00 59.70 56.20 1n9f h MET 131 Cb 0.26 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.18 1n9f h MET 131 CO -0.01 1.01 0.35 -0.97 0.14 0.00 0.00 176.91 177.43 1n9f h ASN 132 N 0.93 0.55 -0.53 1.39 -1.24 -0.73 0.03 115.58 115.98 1n9f h ASN 132 Ca 0.16 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 1n9f h ASN 132 Cb 0.56 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 1n9f h ASN 132 CO 0.03 0.38 0.29 0.50 -1.29 0.00 0.00 177.43 177.34 1n9f h LYS 133 N 0.68 0.75 -0.73 6.67 3.64 -0.96 0.25 116.57 126.87 1n9f h LYS 133 Ca 0.25 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1n9f h LYS 133 Cb 0.07 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1n9f h LYS 133 CO -0.13 0.58 0.30 0.00 -2.27 0.00 0.00 179.45 177.93 1n9f h ALA 134 N 1.13 1.15 0.00 5.00 0.00 -0.80 -0.49 119.26 125.24 1n9f h ALA 134 Ca 0.19 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1n9f h ALA 134 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1n9f h ALA 134 CO -0.03 0.61 -0.85 -0.07 0.00 0.00 0.00 179.25 178.92 1n9f h LEU 135 N 1.05 0.09 -0.68 0.00 3.38 -0.64 -1.21 115.31 117.30 1n9f h LEU 135 Ca 0.24 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1n9f h LEU 135 Cb 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1n9f h LEU 135 CO -0.02 0.89 0.00 -0.08 0.09 0.00 0.00 178.44 179.32 1n9f h GLU 136 N 0.04 1.02 -0.50 1.13 4.81 -0.27 -0.28 114.58 120.53 1n9f h GLU 136 Ca -0.02 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1n9f h GLU 136 Cb 1.48 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1n9f h GLU 136 CO 0.12 1.00 0.17 1.25 -0.73 0.00 0.00 179.01 180.82 1n9f h LEU 137 N 0.94 0.72 -0.08 1.64 5.85 -0.89 0.22 115.31 123.70 1n9f h LEU 137 Ca 0.17 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1n9f h LEU 137 Cb 0.54 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1n9f h LEU 137 CO 0.03 0.71 -0.08 0.15 -0.34 0.00 0.00 178.44 178.92 1n9f h PHE 138 N 0.68 -0.19 -0.69 1.25 3.57 -0.96 -0.14 116.94 120.46 1n9f h PHE 138 Ca 0.16 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1n9f h PHE 138 Cb 0.24 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1n9f h PHE 138 CO 0.01 -0.12 0.20 0.00 -2.23 0.00 0.00 178.31 176.17 1n9f h ARG 139 N -0.10 1.09 -0.44 1.11 3.08 -0.78 0.05 114.38 118.39 1n9f h ARG 139 Ca 0.06 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.88 1n9f h ARG 139 Cb 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1n9f h ARG 139 CO -0.14 0.95 0.26 -0.22 -1.07 0.00 0.00 179.97 179.75 1n9f h LYS 140 N 1.03 0.50 -0.18 0.04 3.64 -0.22 0.40 116.57 121.78 1n9f h LYS 140 Ca 0.22 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1n9f h LYS 140 Cb 0.33 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1n9f h LYS 140 CO -0.00 0.33 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.49 1n9f h ASP 141 N 0.51 0.65 -0.60 4.20 3.32 -0.83 -2.03 116.42 121.64 1n9f h ASP 141 Ca 0.18 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1n9f h ASP 141 Cb 0.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1n9f h ASP 141 CO -0.08 1.08 0.26 0.40 -1.72 0.00 0.00 179.24 179.18 1n9f h ILE 142 N 0.44 1.22 -0.69 0.35 1.08 -0.89 -2.16 117.51 116.86 1n9f h ILE 142 Ca 0.00 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.79 1n9f h ILE 142 Cb 1.13 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1n9f h ILE 142 CO 0.11 0.26 0.31 0.00 -0.69 0.00 0.00 178.15 178.14 1n9f h ALA 143 N 1.10 1.26 -0.53 1.87 0.00 -0.63 0.16 119.26 122.49 1n9f h ALA 143 Ca 0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1n9f h ALA 143 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1n9f h ALA 143 CO -0.02 0.56 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 1n9f h ALA 144 N 1.37 0.93 -0.22 0.00 0.00 -1.08 -2.23 119.26 118.03 1n9f h ALA 144 Ca 0.24 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1n9f h ALA 144 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1n9f h ALA 144 CO -0.03 0.63 -0.48 -0.22 0.00 0.00 0.00 179.25 179.16 1n9f h LYS 145 N 0.86 0.59 -0.38 0.00 1.63 -0.86 -2.02 116.57 116.38 1n9f h LYS 145 Ca 0.15 -0.33 0.06 0.00 -0.85 0.00 0.00 60.65 59.68 1n9f h LYS 145 Cb 0.55 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.15 1n9f h LYS 145 CO 0.03 0.94 0.05 1.88 -3.45 0.00 0.00 179.45 178.89 1n9f h TYR 146 N 0.47 0.07 -0.85 1.91 -1.99 -0.39 -0.71 116.97 115.47 1n9f h TYR 146 Ca 0.03 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1n9f h TYR 146 Cb 1.00 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.72 1n9f h TYR 146 CO 0.04 -0.02 0.46 -0.22 -0.00 0.00 0.00 178.16 178.42 1n9f h LYS 147 N 0.16 1.19 -0.13 4.88 3.64 -1.24 0.19 116.57 125.27 1n9f h LYS 147 Ca 0.19 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1n9f h LYS 147 Cb 0.24 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1n9f h LYS 147 CO -0.27 0.88 -0.10 0.93 -2.27 0.00 0.00 179.45 178.62 1n9f h GLU 148 N 1.19 0.19 -0.00 1.90 5.08 -0.59 -2.41 114.58 119.93 1n9f h GLU 148 Ca 0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1n9f h GLU 148 Cb 0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1n9f h GLU 148 CO -0.05 0.30 -0.23 1.28 -1.00 0.00 0.00 179.01 179.32 1n9f n LEU 149 N -4.32 0.31 0.00 1.33 4.77 -0.35 -4.95 117.00 113.79 1n9f n LEU 149 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1n9f n LEU 149 Cb 0.23 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1n9f n LEU 149 CO 0.37 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1n9f n GLY 150 N 1.46 0.87 3.34 -0.72 0.00 -0.69 -5.06 105.19 104.39 1n9f n GLY 150 Ca 0.08 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1n9f n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n9f s TYR 151 N -2.00 2.85 0.11 1.61 5.04 -0.03 -5.01 117.35 119.91 1n9f s TYR 151 Ca 0.00 -0.78 -0.21 0.00 -2.44 0.00 0.00 57.07 53.63 1n9f s TYR 151 Cb 0.00 -1.91 -0.09 0.00 0.35 0.00 0.00 41.96 40.30 1n9f s TYR 151 CO 0.00 -0.33 1.73 -0.56 -1.34 0.00 0.00 175.55 175.05 1n9f h GLN 152 N 7.12 0.03 0.00 4.97 -0.00 -1.95 -3.24 115.11 122.04 1n9f h GLN 152 Ca -0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1n9f h GLN 152 Cb 1.20 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1n9f h GLN 152 CO 0.57 0.02 0.00 0.41 -0.00 0.00 0.00 178.83 179.83