#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f63 s VAL 1 N 0.00 -0.20 0.35 3.17 1.01 -1.26 -5.05 120.40 118.42 1f63 s VAL 1 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1f63 s VAL 1 Cb 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 36.38 35.63 1f63 s VAL 1 CO 0.00 0.04 0.75 -0.76 0.00 0.00 0.00 175.10 175.13 1f63 s LEU 2 N 1.76 3.97 0.77 3.92 1.02 -1.26 -5.08 118.68 123.79 1f63 s LEU 2 Ca -0.08 1.22 -0.12 0.00 0.02 0.00 0.00 54.13 55.18 1f63 s LEU 2 Cb -0.09 -4.05 0.06 0.00 0.02 0.00 0.00 46.19 42.13 1f63 s LEU 2 CO -0.14 -0.28 1.15 -0.94 0.02 0.00 0.00 176.35 176.17 1f63 s SER 3 N -2.61 4.81 0.25 2.29 1.04 -1.26 -4.89 113.70 113.33 1f63 s SER 3 Ca 0.53 0.89 -0.06 0.00 0.48 0.00 0.00 55.95 57.80 1f63 s SER 3 Cb -0.10 -1.49 0.26 0.00 0.10 0.00 0.00 66.02 64.79 1f63 s SER 3 CO 0.23 -1.72 1.88 -0.08 0.98 0.00 0.00 173.24 174.53 1f63 h GLU 4 N -0.92 1.23 -0.79 4.02 4.57 -1.99 -1.12 114.58 119.57 1f63 h GLU 4 Ca -0.46 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 1f63 h GLU 4 Cb 1.30 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 1f63 h GLU 4 CO 0.65 0.88 0.38 0.78 -1.18 0.00 0.00 179.01 180.52 1f63 h GLY 5 N 1.25 1.22 0.95 1.92 0.00 -2.00 0.18 103.07 106.59 1f63 h GLY 5 Ca 0.32 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1f63 h GLY 5 CO -0.05 0.57 0.08 0.83 0.00 0.00 0.00 176.54 177.96 1f63 h GLU 6 N 1.13 0.71 -0.80 4.80 5.08 -1.73 -2.32 114.58 121.44 1f63 h GLU 6 Ca 0.27 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1f63 h GLU 6 Cb 0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1f63 h GLU 6 CO -0.04 0.73 0.40 -1.49 -1.00 0.00 0.00 179.01 177.61 1f63 h TRP 7 N 0.57 1.14 -0.63 4.33 4.06 -0.81 -2.01 115.95 122.60 1f63 h TRP 7 Ca 0.13 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 1f63 h TRP 7 Cb 0.36 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1f63 h TRP 7 CO 0.02 0.82 0.33 1.96 -3.56 0.00 0.00 178.44 178.01 1f63 h GLN 8 N 1.14 0.88 -0.56 0.49 1.08 -0.74 -0.16 115.11 117.24 1f63 h GLN 8 Ca 0.28 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.27 1f63 h GLN 8 Cb 0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1f63 h GLN 8 CO -0.04 0.67 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.36 1f63 h LEU 9 N 0.89 1.02 -0.05 1.46 3.38 -0.85 -1.14 115.31 120.03 1f63 h LEU 9 Ca 0.22 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1f63 h LEU 9 Cb 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1f63 h LEU 9 CO -0.03 1.11 0.02 0.58 0.09 0.00 0.00 178.44 180.21 1f63 h VAL 10 N 0.92 1.14 0.00 1.22 2.07 -1.03 -2.97 116.25 117.60 1f63 h VAL 10 Ca 0.15 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1f63 h VAL 10 Cb 0.64 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1f63 h VAL 10 CO 0.04 0.12 -0.22 -0.07 0.02 0.00 0.00 177.57 177.46 1f63 h LEU 11 N -0.08 0.00 -0.26 2.57 3.38 -0.99 -1.15 115.31 118.77 1f63 h LEU 11 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1f63 h LEU 11 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1f63 h LEU 11 CO -0.00 0.22 -0.16 -0.74 0.09 0.00 0.00 178.44 177.85 1f63 h HIS 12 N 0.00 0.67 0.02 1.13 2.76 -1.16 -1.74 115.15 116.82 1f63 h HIS 12 Ca -0.00 -0.18 -0.21 0.00 -2.20 0.00 0.00 60.37 57.79 1f63 h HIS 12 Cb 0.79 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1f63 h HIS 12 CO 0.00 0.84 -0.94 -0.24 -1.30 0.00 0.00 177.93 176.29 1f63 h VAL 13 N 0.30 1.55 -0.07 5.26 3.04 -1.43 -3.03 116.25 121.87 1f63 h VAL 13 Ca 0.05 -2.87 -0.03 0.00 -1.01 0.00 0.00 66.70 62.85 1f63 h VAL 13 Cb 0.68 2.62 -0.01 0.00 -2.01 0.00 0.00 31.29 32.57 1f63 h VAL 13 CO 0.04 0.83 -0.09 -0.25 -1.01 0.00 0.00 177.57 177.09 1f63 h TRP 14 N 0.07 0.11 -0.39 3.17 2.91 -1.10 -1.02 115.95 119.69 1f63 h TRP 14 Ca -0.05 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.94 1f63 h TRP 14 Cb 1.62 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 30.21 1f63 h TRP 14 CO 0.02 0.21 0.11 0.00 -1.03 0.00 0.00 178.44 177.75 1f63 h ALA 15 N 1.80 1.45 -0.02 2.65 0.00 -1.19 -0.74 119.26 123.22 1f63 h ALA 15 Ca 0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 1f63 h ALA 15 Cb 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1f63 h ALA 15 CO 0.01 0.40 -0.94 0.87 0.00 0.00 0.00 179.25 179.59 1f63 h LYS 16 N 0.57 0.52 -1.00 0.00 1.79 -1.22 -3.11 116.57 114.12 1f63 h LYS 16 Ca 0.13 -0.53 0.06 0.00 -2.18 0.00 0.00 60.65 58.13 1f63 h LYS 16 Cb 0.20 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 1f63 h LYS 16 CO -0.01 1.17 0.65 0.28 -1.08 0.00 0.00 179.45 180.46 1f63 h VAL 17 N 0.30 1.11 0.00 0.50 2.07 -0.79 -1.95 116.25 117.48 1f63 h VAL 17 Ca -0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1f63 h VAL 17 Cb 1.58 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1f63 h VAL 17 CO 0.17 0.22 0.00 -0.62 0.02 0.00 0.00 177.57 177.36 1f63 n GLU 18 N -4.48 0.04 0.24 1.57 1.02 -0.35 -1.23 120.64 117.44 1f63 n GLU 18 Ca 0.15 0.37 0.15 0.00 -0.02 0.00 0.00 57.16 57.81 1f63 n GLU 18 Cb 0.17 -1.58 0.54 0.00 -0.02 0.00 0.00 31.44 30.54 1f63 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f63 h ALA 19 N 2.29 1.00 -1.29 0.62 0.00 -1.36 -3.36 119.26 117.16 1f63 h ALA 19 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1f63 h ALA 19 Cb 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.69 1f63 h ALA 19 CO 0.00 0.00 -0.82 -3.47 0.00 0.00 0.00 179.25 174.96 1f63 n ASP 20 N -2.95 -1.34 -0.12 0.00 2.03 -0.37 -5.01 116.55 108.80 1f63 n ASP 20 Ca 0.02 -2.87 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 1f63 n ASP 20 Cb 0.35 0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 41.18 1f63 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1f63 h VAL 21 N 3.04 1.19 -0.67 5.18 2.07 -1.71 -2.14 116.25 123.22 1f63 h VAL 21 Ca 0.03 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1f63 h VAL 21 Cb 0.96 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1f63 h VAL 21 CO 0.35 0.21 0.21 0.00 0.02 0.00 0.00 177.57 178.36 1f63 h ALA 22 N 0.99 1.10 -0.54 1.67 0.00 -1.92 -0.26 119.26 120.30 1f63 h ALA 22 Ca 0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1f63 h ALA 22 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1f63 h ALA 22 CO -0.01 0.61 0.02 0.78 0.00 0.00 0.00 179.25 180.66 1f63 h GLY 23 N 1.06 1.02 1.35 0.00 0.00 -1.93 -1.36 103.07 103.21 1f63 h GLY 23 Ca 0.22 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1f63 h GLY 23 CO -0.01 0.68 -0.28 0.45 0.00 0.00 0.00 176.54 177.38 1f63 h HIS 24 N 0.82 0.86 -0.62 5.60 3.86 -1.19 -1.72 115.15 122.76 1f63 h HIS 24 Ca 0.16 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1f63 h HIS 24 Cb 0.51 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1f63 h HIS 24 CO 0.04 0.94 0.35 0.78 0.86 0.00 0.00 177.93 180.89 1f63 h GLY 25 N 0.96 0.92 0.87 2.45 0.00 -0.76 -0.24 103.07 107.28 1f63 h GLY 25 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1f63 h GLY 25 CO 0.07 0.39 0.07 1.46 0.00 0.00 0.00 176.54 178.53 1f63 h GLN 26 N 0.84 0.30 -1.00 4.80 4.20 -1.14 -1.97 115.11 121.14 1f63 h GLN 26 Ca 0.22 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1f63 h GLN 26 Cb 0.03 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 1f63 h GLN 26 CO -0.04 0.39 0.66 -0.44 -0.67 0.00 0.00 178.83 178.73 1f63 h ASP 27 N 0.15 1.14 -0.29 1.46 3.32 -1.03 -0.33 116.42 120.83 1f63 h ASP 27 Ca 0.06 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1f63 h ASP 27 Cb 0.21 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1f63 h ASP 27 CO -0.00 0.82 -0.05 0.40 -1.72 0.00 0.00 179.24 178.70 1f63 h ILE 28 N 1.35 1.27 -0.20 0.35 2.04 -0.91 -1.69 117.51 119.72 1f63 h ILE 28 Ca 0.37 -1.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.04 1f63 h ILE 28 Cb -0.14 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1f63 h ILE 28 CO -0.08 0.33 -0.46 1.88 0.00 0.00 0.00 178.15 179.82 1f63 h TYR 29 N 0.32 0.62 -0.72 1.37 0.05 -1.18 -0.92 116.97 116.50 1f63 h TYR 29 Ca 0.08 -0.20 -0.07 0.00 0.05 0.00 0.00 58.73 58.59 1f63 h TYR 29 Cb 0.51 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1f63 h TYR 29 CO 0.05 0.88 0.19 0.82 -1.05 0.00 0.00 178.16 179.05 1f63 h ILE 30 N 0.41 1.26 -0.28 -2.88 2.04 -1.02 -0.79 117.51 116.25 1f63 h ILE 30 Ca 0.03 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1f63 h ILE 30 Cb 0.97 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1f63 h ILE 30 CO 0.09 0.37 0.15 -0.09 0.00 0.00 0.00 178.15 178.67 1f63 h ARG 31 N 1.09 0.40 -0.32 2.37 9.65 -1.06 -0.37 114.38 126.14 1f63 h ARG 31 Ca 0.23 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1f63 h ARG 31 Cb 0.36 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 1f63 h ARG 31 CO 0.00 0.36 0.06 1.25 2.80 0.00 0.00 179.97 184.44 1f63 h LEU 32 N 0.33 0.01 -0.94 3.80 5.85 -0.91 -0.92 115.31 122.52 1f63 h LEU 32 Ca 0.10 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1f63 h LEU 32 Cb 0.08 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1f63 h LEU 32 CO -0.01 0.04 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.47 1f63 h PHE 33 N 0.17 0.31 -0.08 1.25 0.04 -0.99 0.12 116.94 117.78 1f63 h PHE 33 Ca 0.15 -0.08 -0.24 0.00 2.80 0.00 0.00 57.97 60.60 1f63 h PHE 33 Cb 0.16 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1f63 h PHE 33 CO -0.18 0.63 -0.89 0.87 -0.60 0.00 0.00 178.31 178.14 1f63 h LYS 34 N 0.23 0.69 0.06 1.51 1.57 -0.80 -2.88 116.57 116.95 1f63 h LYS 34 Ca 0.02 -0.65 -0.26 0.00 -1.87 0.00 0.00 60.65 57.90 1f63 h LYS 34 Cb 0.80 0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1f63 h LYS 34 CO 0.06 1.25 -1.10 0.77 -0.57 0.00 0.00 179.45 179.86 1f63 h SER 35 N 0.44 0.68 -2.39 0.86 0.02 -1.02 -3.40 113.55 108.74 1f63 h SER 35 Ca -0.08 -0.59 -0.59 0.00 -0.84 0.00 0.00 61.79 59.68 1f63 h SER 35 Cb 1.53 -0.21 -0.39 0.00 0.14 0.00 0.00 62.40 63.46 1f63 h SER 35 CO 0.18 1.41 -0.89 1.41 -1.14 0.00 0.00 176.83 177.79 1f63 n HIS 36 N -3.74 0.49 0.11 3.45 8.25 0.42 -5.00 115.22 119.19 1f63 n HIS 36 Ca -0.10 -3.65 0.19 0.00 -0.26 0.00 0.00 57.72 53.91 1f63 n HIS 36 Cb 0.92 -0.14 0.76 0.00 1.12 0.00 0.00 29.99 32.65 1f63 n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1f63 h PRO 37 N 5.03 0.00 0.00 -0.41 0.11 -1.69 -1.66 132.00 133.38 1f63 h PRO 37 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1f63 h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1f63 h PRO 37 CO 0.51 0.00 -0.10 1.05 -0.21 0.00 0.00 178.00 179.25 1f63 h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.93 -2.42 114.58 120.37 1f63 h GLU 38 Ca 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.54 1f63 h GLU 38 Cb 0.91 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 1f63 h GLU 38 CO -0.00 0.10 -0.19 1.79 0.05 0.00 0.00 179.01 180.76 1f63 h THR 39 N 0.00 0.79 0.00 -1.06 1.35 -1.65 -2.81 112.91 109.54 1f63 h THR 39 Ca -0.00 -0.75 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 1f63 h THR 39 Cb 0.19 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1f63 h THR 39 CO 0.01 0.19 -0.09 0.25 -0.25 0.00 0.00 175.52 175.63 1f63 h LEU 40 N 0.00 0.00 -2.62 3.87 5.85 -1.63 -2.57 115.31 118.21 1f63 h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1f63 h LEU 40 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1f63 h LEU 40 CO 0.02 0.09 0.00 -0.33 -0.34 0.00 0.00 178.44 177.89 1f63 h GLU 41 N 0.00 0.00 -0.00 1.25 5.08 -1.67 -2.28 114.58 116.96 1f63 h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f63 h GLU 41 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1f63 h GLU 41 CO 0.01 0.00 -0.04 1.63 -1.00 0.00 0.00 179.01 179.61 1f63 n LYS 42 N -3.07 0.06 -3.43 2.33 4.76 -0.97 -4.63 118.16 113.21 1f63 n LYS 42 Ca -0.02 -0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.98 1f63 n LYS 42 Cb 0.12 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 1f63 n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1f63 s PHE 43 N -2.95 3.49 0.39 2.13 0.40 -0.86 -4.94 117.98 115.64 1f63 s PHE 43 Ca 0.15 -1.85 0.05 0.00 -0.60 0.00 0.00 56.93 54.69 1f63 s PHE 43 Cb 0.19 -3.66 0.78 0.00 0.51 0.00 0.00 43.02 40.84 1f63 s PHE 43 CO 0.54 -0.98 2.03 -0.44 0.70 0.00 0.00 175.22 177.07 1f63 h ASP 44 N 8.18 0.55 -0.08 1.36 3.32 -1.85 0.16 116.42 128.06 1f63 h ASP 44 Ca -0.11 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1f63 h ASP 44 Cb 1.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1f63 h ASP 44 CO 0.86 0.41 -0.07 0.03 -1.72 0.00 0.00 179.24 178.75 1f63 h ARG 45 N 0.64 0.35 0.00 3.56 3.08 -1.96 -3.36 114.38 116.69 1f63 h ARG 45 Ca 0.17 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 1f63 h ARG 45 Cb -0.05 -0.05 -0.32 0.00 0.08 0.00 0.00 29.97 29.63 1f63 h ARG 45 CO -0.03 0.43 -0.93 1.97 -1.07 0.00 0.00 179.97 180.34 1f63 n PHE 46 N -4.29 0.00 0.32 3.04 -1.74 -0.86 -4.85 117.46 109.07 1f63 n PHE 46 Ca 0.00 -0.42 0.09 0.00 -0.56 0.00 0.00 57.45 56.56 1f63 n PHE 46 Cb 0.25 -0.11 0.41 0.00 1.52 0.00 0.00 39.48 41.55 1f63 n PHE 46 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 1f63 n LYS 47 N 0.40 0.11 0.06 3.97 2.85 0.51 -1.98 118.16 124.09 1f63 n LYS 47 Ca 0.04 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.88 1f63 n LYS 47 Cb 1.06 -1.76 0.45 0.00 -0.65 0.00 0.00 35.03 34.14 1f63 n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1f63 n HIS 48 N -1.98 0.49 -1.73 5.58 1.44 -1.26 -4.87 115.22 112.90 1f63 n HIS 48 Ca 0.01 0.14 -0.42 0.00 -2.01 0.00 0.00 57.72 55.45 1f63 n HIS 48 Cb 0.14 -0.71 -0.02 0.00 0.12 0.00 0.00 29.99 29.52 1f63 n HIS 48 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1f63 n LEU 49 N -1.92 4.12 -0.03 2.39 4.77 -0.84 -4.93 117.00 120.57 1f63 n LEU 49 Ca 0.06 1.10 0.01 0.00 -0.03 0.00 0.00 56.01 57.15 1f63 n LEU 49 Cb 0.39 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.80 1f63 n LEU 49 CO 0.30 0.14 -0.78 0.29 -1.33 0.00 0.00 177.39 176.00 1f63 n LYS 50 N 3.03 1.11 -4.34 3.23 5.02 -1.26 -5.03 118.16 119.92 1f63 n LYS 50 Ca 0.12 -0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 1f63 n LYS 50 Cb 0.35 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 1f63 n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1f63 s THR 51 N -2.66 1.10 0.31 -0.18 -4.23 -1.26 -5.05 115.64 103.67 1f63 s THR 51 Ca -0.06 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1f63 s THR 51 Cb 0.07 -2.36 0.19 0.00 1.34 0.00 0.00 72.50 71.74 1f63 s THR 51 CO 0.56 -0.32 1.88 -0.08 -0.54 0.00 0.00 174.62 176.12 1f63 h GLU 52 N 2.45 0.80 -0.85 3.99 4.81 -1.99 -1.56 114.58 122.23 1f63 h GLU 52 Ca -0.38 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1f63 h GLU 52 Cb 1.22 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1f63 h GLU 52 CO 0.65 0.67 0.56 0.00 -0.73 0.00 0.00 179.01 180.16 1f63 h ALA 53 N 1.44 1.42 -0.35 2.92 0.00 -1.99 -0.33 119.26 122.37 1f63 h ALA 53 Ca 0.18 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1f63 h ALA 53 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1f63 h ALA 53 CO -0.01 0.52 -0.32 0.93 0.00 0.00 0.00 179.25 180.37 1f63 h GLU 54 N 1.12 0.75 -0.64 0.00 5.08 -1.79 -2.56 114.58 116.55 1f63 h GLU 54 Ca 0.32 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1f63 h GLU 54 Cb -0.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1f63 h GLU 54 CO -0.08 0.97 0.07 0.52 -1.00 0.00 0.00 179.01 179.49 1f63 h MET 55 N 0.64 1.07 0.00 2.33 2.86 -0.79 -2.22 114.93 118.83 1f63 h MET 55 Ca 0.07 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.35 1f63 h MET 55 Cb 0.85 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1f63 h MET 55 CO 0.07 1.00 -0.29 0.87 1.06 0.00 0.00 176.91 179.63 1f63 h LYS 56 N 1.00 0.00 -0.00 1.72 1.57 -0.91 -2.67 116.57 117.27 1f63 h LYS 56 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1f63 h LYS 56 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1f63 h LYS 56 CO 0.02 0.29 -0.31 0.00 -0.57 0.00 0.00 179.45 178.88 1f63 n ALA 57 N -2.34 3.16 -2.49 3.86 0.00 -0.98 -4.88 120.51 116.85 1f63 n ALA 57 Ca -0.01 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1f63 n ALA 57 Cb 0.39 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1f63 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f63 s SER 58 N -2.67 6.80 0.25 0.00 0.15 -0.86 -4.90 113.70 112.48 1f63 s SER 58 Ca 0.20 1.26 -0.00 0.00 0.70 0.00 0.00 55.95 58.11 1f63 s SER 58 Cb 0.19 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 62.28 1f63 s SER 58 CO 0.57 -0.96 1.69 -0.08 1.20 0.00 0.00 173.24 175.66 1f63 h GLU 59 N 8.72 0.61 -0.44 5.44 4.57 -1.89 -2.45 114.58 129.14 1f63 h GLU 59 Ca -0.24 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 57.61 1f63 h GLU 59 Cb 1.09 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1f63 h GLU 59 CO 1.02 0.79 -0.11 -0.44 -1.18 0.00 0.00 179.01 179.09 1f63 h ASP 60 N 0.54 0.80 -0.43 1.04 3.32 -1.97 -0.58 116.42 119.13 1f63 h ASP 60 Ca 0.08 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1f63 h ASP 60 Cb 0.68 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1f63 h ASP 60 CO 0.05 0.93 0.00 0.25 -1.72 0.00 0.00 179.24 178.75 1f63 h LEU 61 N 0.73 0.73 -0.77 1.55 6.46 -1.86 -2.19 115.31 119.96 1f63 h LEU 61 Ca 0.12 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1f63 h LEU 61 Cb 0.60 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1f63 h LEU 61 CO 0.04 0.86 0.51 0.50 -0.62 0.00 0.00 178.44 179.72 1f63 h LYS 62 N 0.59 1.01 -0.66 1.25 3.64 -1.13 -0.80 116.57 120.47 1f63 h LYS 62 Ca 0.12 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1f63 h LYS 62 Cb 0.48 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1f63 h LYS 62 CO 0.02 0.67 0.22 0.87 -2.27 0.00 0.00 179.45 178.97 1f63 h LYS 63 N 1.04 0.99 -0.61 1.90 1.57 -0.87 -2.26 116.57 118.33 1f63 h LYS 63 Ca 0.28 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1f63 h LYS 63 Cb -0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1f63 h LYS 63 CO -0.06 0.84 0.08 0.37 -0.57 0.00 0.00 179.45 180.11 1f63 h GLN 64 N 0.97 1.03 -0.63 3.15 5.75 -0.89 -1.62 115.11 122.87 1f63 h GLN 64 Ca 0.22 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1f63 h GLN 64 Cb 0.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1f63 h GLN 64 CO -0.01 0.98 0.38 0.78 -2.65 0.00 0.00 178.83 178.30 1f63 h GLY 65 N 0.94 0.91 0.98 2.39 0.00 -0.75 -1.65 103.07 105.89 1f63 h GLY 65 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1f63 h GLY 65 CO 0.02 0.37 0.09 -2.08 0.00 0.00 0.00 176.54 174.93 1f63 h VAL 66 N 0.85 1.25 -0.81 4.60 2.07 -1.23 -1.32 116.25 121.66 1f63 h VAL 66 Ca 0.23 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1f63 h VAL 66 Cb -0.03 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1f63 h VAL 66 CO -0.04 0.32 0.36 0.03 0.02 0.00 0.00 177.57 178.25 1f63 h ARG 67 N 0.67 1.19 0.14 1.57 3.08 -0.95 -1.31 114.38 118.77 1f63 h ARG 67 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1f63 h ARG 67 Cb 0.38 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1f63 h ARG 67 CO 0.01 0.94 -0.07 0.28 -1.07 0.00 0.00 179.97 180.06 1f63 h VAL 68 N 1.17 0.96 -0.02 2.04 2.07 -1.21 -1.82 116.25 119.44 1f63 h VAL 68 Ca 0.27 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1f63 h VAL 68 Cb 0.17 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1f63 h VAL 68 CO -0.03 0.11 -0.40 -0.07 0.02 0.00 0.00 177.57 177.20 1f63 h LEU 69 N -0.41 0.05 -0.25 2.57 3.38 -1.20 -0.12 115.31 119.34 1f63 h LEU 69 Ca -0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1f63 h LEU 69 Cb 0.33 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1f63 h LEU 69 CO 0.03 0.45 -0.06 0.74 0.09 0.00 0.00 178.44 179.69 1f63 h THR 70 N 0.04 1.28 -0.67 0.22 2.02 -1.21 0.04 112.91 114.64 1f63 h THR 70 Ca 0.00 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 1f63 h THR 70 Cb 0.73 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1f63 h THR 70 CO 0.05 0.33 0.10 0.00 0.37 0.00 0.00 175.52 176.37 1f63 h ALA 71 N 0.76 0.90 -0.13 6.16 0.00 -1.05 -2.06 119.26 123.84 1f63 h ALA 71 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1f63 h ALA 71 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1f63 h ALA 71 CO 0.02 0.67 -0.48 1.25 0.00 0.00 0.00 179.25 180.72 1f63 h LEU 72 N 1.04 0.36 -0.76 0.00 5.85 -0.95 -2.31 115.31 118.54 1f63 h LEU 72 Ca 0.20 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1f63 h LEU 72 Cb 0.46 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1f63 h LEU 72 CO 0.02 0.79 0.22 1.23 -0.34 0.00 0.00 178.44 180.35 1f63 h GLY 73 N 1.24 1.25 1.31 3.75 0.00 -0.83 0.58 103.07 110.36 1f63 h GLY 73 Ca 0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1f63 h GLY 73 CO 0.08 0.70 -0.09 0.00 0.00 0.00 0.00 176.54 177.23 1f63 h ALA 74 N 1.12 0.98 -0.10 3.60 0.00 -1.07 -0.59 119.26 123.20 1f63 h ALA 74 Ca 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1f63 h ALA 74 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1f63 h ALA 74 CO -0.01 0.61 -0.03 0.82 0.00 0.00 0.00 179.25 180.65 1f63 h ILE 75 N 0.75 1.30 -0.31 0.00 2.04 -0.92 -3.08 117.51 117.29 1f63 h ILE 75 Ca 0.13 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1f63 h ILE 75 Cb 0.58 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1f63 h ILE 75 CO 0.04 0.27 0.03 -0.07 0.00 0.00 0.00 178.15 178.42 1f63 h LEU 76 N -0.13 0.43 -0.67 1.44 3.38 -0.63 -2.04 115.31 117.08 1f63 h LEU 76 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1f63 h LEU 76 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1f63 h LEU 76 CO 0.01 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.31 1f63 n LYS 77 N -4.32 0.18 0.00 1.13 5.02 -0.25 -1.58 118.16 118.33 1f63 n LYS 77 Ca 0.01 0.42 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1f63 n LYS 77 Cb 0.21 -1.84 0.60 0.00 -0.02 0.00 0.00 35.03 33.98 1f63 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1f63 n LYS 78 N -2.18 0.04 -3.89 1.97 4.76 -0.77 -4.95 118.16 113.15 1f63 n LYS 78 Ca 0.02 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 1f63 n LYS 78 Cb 0.22 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1f63 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1f63 n LYS 79 N -1.48 -2.46 0.00 1.97 5.02 -0.62 -2.23 118.16 118.37 1f63 n LYS 79 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1f63 n LYS 79 Cb 0.31 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 31.06 1f63 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f63 n GLY 80 N -1.91 1.95 2.65 0.72 0.00 -1.26 -4.96 105.19 102.38 1f63 n GLY 80 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1f63 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1f63 n HIS 81 N -2.00 2.67 -1.38 1.61 8.25 -0.95 -4.72 115.22 118.71 1f63 n HIS 81 Ca 0.00 -2.63 0.02 0.00 -0.26 0.00 0.00 57.72 54.85 1f63 n HIS 81 Cb 0.00 -1.37 0.20 0.00 1.12 0.00 0.00 29.99 29.94 1f63 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1f63 n HIS 82 N 0.63 0.68 -0.16 4.41 1.44 -1.26 -4.76 115.22 116.20 1f63 n HIS 82 Ca 0.48 -1.41 -0.06 0.00 -2.01 0.00 0.00 57.72 54.73 1f63 n HIS 82 Cb 0.27 -0.37 0.04 0.00 0.12 0.00 0.00 29.99 30.04 1f63 n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1f63 h GLU 83 N 0.99 0.53 -0.68 -1.40 4.57 -2.00 -1.11 114.58 115.49 1f63 h GLU 83 Ca 0.11 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1f63 h GLU 83 Cb 1.39 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 1f63 h GLU 83 CO 0.23 0.35 0.24 0.00 -1.18 0.00 0.00 179.01 178.65 1f63 h ALA 84 N 1.23 1.15 -0.15 2.92 0.00 -2.01 -2.65 119.26 119.75 1f63 h ALA 84 Ca 0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1f63 h ALA 84 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1f63 h ALA 84 CO -0.11 0.60 -0.43 0.93 0.00 0.00 0.00 179.25 180.24 1f63 h GLU 85 N 0.99 0.35 0.00 0.00 3.07 -1.80 -3.24 114.58 113.95 1f63 h GLU 85 Ca 0.22 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1f63 h GLU 85 Cb 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1f63 h GLU 85 CO -0.01 0.72 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.81 1f63 h LEU 86 N 0.29 0.00 -0.04 1.33 4.07 -0.88 -3.35 115.31 116.73 1f63 h LEU 86 Ca 0.02 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.99 1f63 h LEU 86 Cb 0.88 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1f63 h LEU 86 CO 0.07 0.44 -0.02 0.11 -1.08 0.00 0.00 178.44 177.96 1f63 h LYS 87 N 0.00 -0.03 -0.08 1.13 1.57 -1.51 0.85 116.57 118.50 1f63 h LYS 87 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1f63 h LYS 87 Cb 1.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1f63 h LYS 87 CO 0.06 -0.02 -0.46 -1.00 -0.57 0.00 0.00 179.45 177.45 1f63 h PRO 88 N -0.03 0.20 -0.36 3.15 0.13 -1.77 -1.30 132.00 132.02 1f63 h PRO 88 Ca 0.02 -0.11 -0.17 0.00 -0.87 0.00 0.00 66.00 64.88 1f63 h PRO 88 Cb 0.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 1f63 h PRO 88 CO -0.05 0.63 -0.43 1.25 -0.23 0.00 0.00 178.00 179.16 1f63 h LEU 89 N 0.17 1.00 -0.42 1.56 5.85 -1.63 -1.02 115.31 120.82 1f63 h LEU 89 Ca 0.01 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1f63 h LEU 89 Cb 0.89 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1f63 h LEU 89 CO 0.07 1.29 0.14 0.00 -0.34 0.00 0.00 178.44 179.59 1f63 h ALA 90 N 0.75 0.55 -0.18 1.25 0.00 -0.66 -1.29 119.26 119.67 1f63 h ALA 90 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1f63 h ALA 90 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1f63 h ALA 90 CO 0.10 0.19 0.08 0.37 0.00 0.00 0.00 179.25 179.99 1f63 h GLN 91 N 0.53 0.27 -0.50 0.00 4.15 -1.10 0.34 115.11 118.82 1f63 h GLN 91 Ca 0.14 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.41 1f63 h GLN 91 Cb 0.25 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1f63 h GLN 91 CO -0.01 0.33 -0.07 0.66 -1.93 0.00 0.00 178.83 177.81 1f63 h SER 92 N 0.15 0.88 0.69 -0.69 4.64 -1.10 -1.59 113.55 116.52 1f63 h SER 92 Ca 0.06 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 1f63 h SER 92 Cb 0.16 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1f63 h SER 92 CO -0.01 0.98 -0.52 0.45 -0.87 0.00 0.00 176.83 176.86 1f63 h HIS 93 N 0.81 0.00 0.19 4.77 3.86 -1.13 -0.30 115.15 123.35 1f63 h HIS 93 Ca 0.14 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.02 1f63 h HIS 93 Cb 0.59 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.07 1f63 h HIS 93 CO 0.03 0.52 -1.60 0.00 0.86 0.00 0.00 177.93 177.75 1f63 h ALA 94 N 1.48 0.10 0.02 2.45 0.00 -0.82 -0.34 119.26 122.14 1f63 h ALA 94 Ca -0.01 -1.05 -0.37 0.00 0.00 0.00 0.00 54.91 53.49 1f63 h ALA 94 Cb 1.01 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1f63 h ALA 94 CO 0.07 0.96 -2.32 2.41 0.00 0.00 0.00 179.25 180.37 1f63 n THR 95 N -3.59 1.51 -0.10 0.00 -1.04 -0.61 -4.19 114.28 106.27 1f63 n THR 95 Ca -0.20 -0.69 -0.14 0.00 -2.04 0.00 0.00 64.05 60.99 1f63 n THR 95 Cb 1.07 -1.14 -0.05 0.00 -1.82 0.00 0.00 70.33 68.39 1f63 n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1f63 n LYS 96 N -3.12 0.53 0.08 -2.82 4.81 -0.25 -4.69 118.16 112.70 1f63 n LYS 96 Ca -0.38 0.32 -0.05 0.00 -0.87 0.00 0.00 58.31 57.33 1f63 n LYS 96 Cb 1.05 -1.53 -0.08 0.00 0.02 0.00 0.00 35.03 34.49 1f63 n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1f63 h HIS 97 N -1.00 0.00 -5.65 5.64 3.86 -1.39 -3.49 115.15 113.13 1f63 h HIS 97 Ca -0.19 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.82 1f63 h HIS 97 Cb 1.06 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.62 1f63 h HIS 97 CO -0.26 0.89 -0.57 1.63 0.86 0.00 0.00 177.93 180.47 1f63 n LYS 98 N -3.33 -1.68 -3.36 2.45 5.02 -0.44 -4.99 118.16 111.83 1f63 n LYS 98 Ca 0.00 1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.89 1f63 n LYS 98 Cb 0.89 -5.27 -0.09 0.00 -0.02 0.00 0.00 35.03 30.55 1f63 n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1f63 s ILE 99 N -3.23 5.13 0.78 -0.18 -1.09 -0.27 -5.03 121.20 117.31 1f63 s ILE 99 Ca 0.26 -0.24 -0.13 0.00 -2.23 0.00 0.00 60.65 58.32 1f63 s ILE 99 Cb -0.05 -3.96 0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1f63 s ILE 99 CO 0.78 -0.30 1.15 -2.16 -1.23 0.00 0.00 174.94 173.17 1f63 s PRO 100 N 2.06 1.96 0.30 2.79 0.04 -1.26 -4.82 135.00 136.07 1f63 s PRO 100 Ca 0.11 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1f63 s PRO 100 Cb -0.17 -1.84 0.51 0.00 0.04 0.00 0.00 34.50 33.05 1f63 s PRO 100 CO 0.13 -1.93 1.93 0.82 0.04 0.00 0.00 177.00 177.99 1f63 h ILE 101 N -0.85 1.10 -0.36 0.56 1.08 -1.51 -0.90 117.51 116.63 1f63 h ILE 101 Ca -0.45 -0.36 0.07 0.00 -0.39 0.00 0.00 64.86 63.73 1f63 h ILE 101 Cb 1.27 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1f63 h ILE 101 CO 0.48 0.19 0.25 0.50 -0.69 0.00 0.00 178.15 178.88 1f63 h LYS 102 N 1.04 0.16 0.00 2.37 1.63 -1.92 -0.69 116.57 119.17 1f63 h LYS 102 Ca 0.36 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.04 1f63 h LYS 102 Cb 0.12 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1f63 h LYS 102 CO -0.12 0.11 -0.56 1.88 -3.45 0.00 0.00 179.45 177.31 1f63 h TYR 103 N 0.17 0.00 -0.20 1.91 -1.99 -1.52 -1.64 116.97 113.70 1f63 h TYR 103 Ca 0.16 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 1f63 h TYR 103 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1f63 h TYR 103 CO -0.00 0.56 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.28 1f63 h LEU 104 N 0.00 0.46 -0.46 3.88 3.38 -1.05 -1.43 115.31 120.09 1f63 h LEU 104 Ca -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1f63 h LEU 104 Cb 1.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1f63 h LEU 104 CO 0.07 0.79 0.04 -0.33 0.09 0.00 0.00 178.44 179.10 1f63 h GLU 105 N 0.38 0.78 -0.93 1.13 5.08 -0.78 -2.14 114.58 118.10 1f63 h GLU 105 Ca 0.04 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1f63 h GLU 105 Cb 0.81 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1f63 h GLU 105 CO 0.07 0.82 0.54 0.74 -1.00 0.00 0.00 179.01 180.17 1f63 h PHE 106 N 0.64 1.25 0.00 4.33 0.04 -1.10 -1.96 116.94 120.14 1f63 h PHE 106 Ca 0.14 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.77 1f63 h PHE 106 Cb 0.43 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1f63 h PHE 106 CO 0.03 0.84 -0.58 0.97 -0.60 0.00 0.00 178.31 178.98 1f63 h ILE 107 N 1.29 1.17 -0.60 -0.55 2.10 -1.20 -2.22 117.51 117.51 1f63 h ILE 107 Ca 0.33 -2.17 0.00 0.00 1.08 0.00 0.00 64.86 64.10 1f63 h ILE 107 Cb -0.02 2.26 -0.03 0.00 -1.09 0.00 0.00 36.82 37.94 1f63 h ILE 107 CO -0.06 0.57 0.37 0.28 -1.08 0.00 0.00 178.15 178.23 1f63 h SER 108 N 0.00 0.70 -0.53 2.19 0.02 -1.00 -0.34 113.55 114.59 1f63 h SER 108 Ca -0.01 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1f63 h SER 108 Cb 1.21 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1f63 h SER 108 CO 0.08 0.54 0.08 -0.08 -1.14 0.00 0.00 176.83 176.30 1f63 h GLU 109 N 0.81 0.93 -0.49 3.45 4.81 -1.14 -1.55 114.58 121.40 1f63 h GLU 109 Ca 0.22 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1f63 h GLU 109 Cb -0.05 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1f63 h GLU 109 CO -0.04 0.87 -0.08 0.00 -0.73 0.00 0.00 179.01 179.03 1f63 h ALA 110 N 1.21 0.94 -0.26 2.92 0.00 -0.94 -0.88 119.26 122.25 1f63 h ALA 110 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1f63 h ALA 110 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1f63 h ALA 110 CO 0.01 0.62 0.12 0.82 0.00 0.00 0.00 179.25 180.82 1f63 h ILE 111 N 0.79 1.16 -1.01 0.00 2.04 -0.79 -1.61 117.51 118.09 1f63 h ILE 111 Ca 0.14 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1f63 h ILE 111 Cb 0.58 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1f63 h ILE 111 CO 0.04 0.16 0.67 0.40 0.00 0.00 0.00 178.15 179.41 1f63 h ILE 112 N 0.28 1.26 -0.45 -0.67 2.04 -1.12 -0.85 117.51 117.99 1f63 h ILE 112 Ca 0.09 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1f63 h ILE 112 Cb 0.14 -0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 1f63 h ILE 112 CO -0.01 0.25 0.13 -0.74 0.00 0.00 0.00 178.15 177.78 1f63 h HIS 113 N 1.36 0.73 -0.31 1.37 2.76 -0.92 -1.12 115.15 119.03 1f63 h HIS 113 Ca 0.37 -0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.36 1f63 h HIS 113 Cb -0.15 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 1f63 h HIS 113 CO -0.00 0.66 -0.21 0.28 -1.30 0.00 0.00 177.93 177.36 1f63 h VAL 114 N 0.59 1.30 -0.50 5.26 2.07 -1.03 -0.54 116.25 123.39 1f63 h VAL 114 Ca 0.14 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1f63 h VAL 114 Cb 0.28 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1f63 h VAL 114 CO -0.00 0.43 0.07 -0.07 0.02 0.00 0.00 177.57 178.02 1f63 h LEU 115 N 0.43 0.74 -0.54 2.57 3.38 -1.09 0.80 115.31 121.60 1f63 h LEU 115 Ca 0.06 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1f63 h LEU 115 Cb 0.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1f63 h LEU 115 CO 0.06 0.76 -0.02 -0.74 0.09 0.00 0.00 178.44 178.59 1f63 h HIS 116 N 0.75 1.07 -0.37 1.13 2.76 -0.96 -0.61 115.15 118.91 1f63 h HIS 116 Ca 0.16 -0.19 -0.16 0.00 -2.20 0.00 0.00 60.37 57.97 1f63 h HIS 116 Cb 0.35 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1f63 h HIS 116 CO 0.02 0.98 -0.41 0.77 -1.30 0.00 0.00 177.93 177.99 1f63 h SER 117 N 0.85 0.99 0.94 3.26 0.02 -0.67 -3.29 113.55 115.65 1f63 h SER 117 Ca 0.15 -0.46 -0.15 0.00 -0.84 0.00 0.00 61.79 60.49 1f63 h SER 117 Cb 0.57 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1f63 h SER 117 CO 0.03 1.26 -1.13 0.03 -1.14 0.00 0.00 176.83 175.88 1f63 h ARG 118 N 0.75 0.00 -1.62 3.45 3.08 -0.76 -3.41 114.38 115.87 1f63 h ARG 118 Ca 0.06 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.61 1f63 h ARG 118 Cb 1.00 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.64 1f63 h ARG 118 CO 0.10 0.36 -0.95 0.72 -1.07 0.00 0.00 179.97 179.13 1f63 n HIS 119 N -2.99 2.22 -0.16 3.04 8.25 -0.25 -4.95 115.22 120.39 1f63 n HIS 119 Ca -0.06 -3.34 0.08 0.00 -0.26 0.00 0.00 57.72 54.14 1f63 n HIS 119 Cb 0.81 -0.32 0.40 0.00 1.12 0.00 0.00 29.99 31.99 1f63 n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1f63 h PRO 120 N 2.87 0.63 0.00 -0.41 0.13 -1.73 -0.56 132.00 132.93 1f63 h PRO 120 Ca 0.11 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1f63 h PRO 120 Cb 0.92 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1f63 h PRO 120 CO 0.67 0.42 -0.35 0.78 -0.23 0.00 0.00 178.00 179.29 1f63 h GLY 121 N 0.65 0.00 -1.62 1.56 0.00 -1.92 -2.91 103.07 98.83 1f63 h GLY 121 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1f63 h GLY 121 CO -0.11 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.13 1f63 n ASN 122 N -3.50 3.34 -2.96 0.19 3.02 -0.64 -4.63 115.26 110.09 1f63 n ASN 122 Ca -0.00 -2.21 -0.15 0.00 -0.03 0.00 0.00 54.58 52.19 1f63 n ASN 122 Cb 0.50 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 1f63 n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1f63 n PHE 123 N 0.50 0.85 -1.16 3.10 7.35 -0.31 -4.65 117.46 123.14 1f63 n PHE 123 Ca 0.16 -3.42 -0.11 0.00 -0.76 0.00 0.00 57.45 53.32 1f63 n PHE 123 Cb 0.56 -0.40 0.08 0.00 0.35 0.00 0.00 39.48 40.08 1f63 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1f63 n GLY 124 N 0.10 -1.63 0.21 7.13 0.00 -1.25 -4.63 105.19 105.12 1f63 n GLY 124 Ca 0.20 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1f63 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f63 h ALA 125 N -2.02 0.64 -0.49 4.61 0.00 -1.98 -0.38 119.26 119.63 1f63 h ALA 125 Ca -0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1f63 h ALA 125 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1f63 h ALA 125 CO 0.11 -0.00 0.15 -0.44 0.00 0.00 0.00 179.25 179.06 1f63 h ASP 126 N 0.59 0.72 -0.52 0.00 3.32 -1.99 -1.42 116.42 117.12 1f63 h ASP 126 Ca 0.20 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1f63 h ASP 126 Cb 0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1f63 h ASP 126 CO -0.09 0.74 0.02 0.00 -1.72 0.00 0.00 179.24 178.19 1f63 h ALA 127 N 1.01 0.98 -0.45 3.45 0.00 -1.81 -1.64 119.26 120.80 1f63 h ALA 127 Ca 0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1f63 h ALA 127 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1f63 h ALA 127 CO -0.00 0.63 0.09 0.37 0.00 0.00 0.00 179.25 180.33 1f63 h GLN 128 N 0.87 0.73 -0.66 0.00 4.15 -0.92 -0.34 115.11 118.94 1f63 h GLN 128 Ca 0.17 -0.19 0.07 0.00 0.77 0.00 0.00 58.65 59.47 1f63 h GLN 128 Cb 0.49 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 1f63 h GLN 128 CO 0.02 0.74 0.35 0.78 -1.93 0.00 0.00 178.83 178.79 1f63 h GLY 129 N 0.60 0.97 1.00 2.39 0.00 -1.14 0.11 103.07 107.00 1f63 h GLY 129 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1f63 h GLY 129 CO 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 176.54 176.54 1f63 h ALA 130 N 1.37 0.57 -0.59 3.60 0.00 -0.94 -1.59 119.26 121.68 1f63 h ALA 130 Ca 0.31 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1f63 h ALA 130 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1f63 h ALA 130 CO -0.21 0.47 0.19 1.98 0.00 0.00 0.00 179.25 181.68 1f63 h MET 131 N 0.63 0.91 -0.82 0.00 -1.53 -0.79 -0.40 114.93 112.92 1f63 h MET 131 Ca 0.10 -0.19 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 1f63 h MET 131 Cb 0.66 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.54 1f63 h MET 131 CO 0.05 0.81 0.46 -0.97 0.14 0.00 0.00 176.91 177.39 1f63 h ASN 132 N 0.83 1.02 -0.62 1.39 -1.24 -0.70 -0.99 115.58 115.27 1f63 h ASN 132 Ca 0.19 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 57.03 1f63 h ASN 132 Cb 0.27 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1f63 h ASN 132 CO -0.01 0.81 0.06 0.50 -1.29 0.00 0.00 177.43 177.50 1f63 h LYS 133 N 1.15 1.07 -0.67 6.67 3.64 -0.94 0.62 116.57 128.10 1f63 h LYS 133 Ca 0.29 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1f63 h LYS 133 Cb 0.01 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1f63 h LYS 133 CO -0.05 1.01 0.12 0.00 -2.27 0.00 0.00 179.45 178.26 1f63 h ALA 134 N 1.06 0.95 -0.03 5.00 0.00 -0.64 -0.77 119.26 124.82 1f63 h ALA 134 Ca 0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1f63 h ALA 134 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1f63 h ALA 134 CO 0.02 0.66 -0.73 -0.07 0.00 0.00 0.00 179.25 179.14 1f63 h LEU 135 N 1.03 0.24 -0.76 0.00 3.38 -0.89 -1.72 115.31 116.60 1f63 h LEU 135 Ca 0.21 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1f63 h LEU 135 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1f63 h LEU 135 CO 0.01 0.89 -0.13 -0.33 0.09 0.00 0.00 178.44 178.97 1f63 h GLU 136 N 0.14 0.81 -0.10 1.13 5.08 -0.63 -0.94 114.58 120.06 1f63 h GLU 136 Ca -0.02 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1f63 h GLU 136 Cb 1.28 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1f63 h GLU 136 CO 0.11 0.89 0.04 1.25 -1.00 0.00 0.00 179.01 180.30 1f63 h LEU 137 N 0.72 0.14 -0.28 1.33 5.85 -0.91 0.95 115.31 123.11 1f63 h LEU 137 Ca 0.12 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1f63 h LEU 137 Cb 0.63 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1f63 h LEU 137 CO 0.04 0.27 0.03 0.15 -0.34 0.00 0.00 178.44 178.59 1f63 h PHE 138 N 0.01 0.04 -0.45 1.25 3.57 -1.11 -0.85 116.94 119.39 1f63 h PHE 138 Ca 0.03 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1f63 h PHE 138 Cb 0.17 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1f63 h PHE 138 CO -0.02 -0.02 -0.08 0.00 -2.23 0.00 0.00 178.31 175.96 1f63 h ARG 139 N 0.12 0.79 -0.55 1.11 3.08 -1.00 -0.82 114.38 117.11 1f63 h ARG 139 Ca 0.13 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1f63 h ARG 139 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1f63 h ARG 139 CO -0.20 0.85 0.01 -0.22 -1.07 0.00 0.00 179.97 179.34 1f63 h LYS 140 N 0.72 0.96 -0.35 0.04 3.64 -0.41 -0.13 116.57 121.05 1f63 h LYS 140 Ca 0.13 -0.30 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 1f63 h LYS 140 Cb 0.56 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1f63 h LYS 140 CO 0.03 0.96 -0.45 -0.44 -2.27 0.00 0.00 179.45 177.29 1f63 h ASP 141 N 0.84 0.98 -0.48 4.20 3.32 -1.03 -2.12 116.42 122.13 1f63 h ASP 141 Ca 0.16 -0.48 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 1f63 h ASP 141 Cb 0.52 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1f63 h ASP 141 CO 0.03 1.28 -0.16 0.40 -1.72 0.00 0.00 179.24 179.06 1f63 h ILE 142 N 0.72 1.27 -0.38 0.35 1.08 -1.09 -2.12 117.51 117.33 1f63 h ILE 142 Ca 0.04 -1.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 1f63 h ILE 142 Cb 1.04 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1f63 h ILE 142 CO 0.10 0.46 0.11 0.00 -0.69 0.00 0.00 178.15 178.13 1f63 h ALA 143 N 0.94 1.48 -0.40 1.87 0.00 -0.81 0.32 119.26 122.65 1f63 h ALA 143 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1f63 h ALA 143 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1f63 h ALA 143 CO 0.06 0.39 -0.27 0.00 0.00 0.00 0.00 179.25 179.43 1f63 h ALA 144 N 1.58 0.57 -0.37 0.00 0.00 -1.20 -2.23 119.26 117.61 1f63 h ALA 144 Ca 0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1f63 h ALA 144 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1f63 h ALA 144 CO -0.01 0.59 -0.33 0.87 0.00 0.00 0.00 179.25 180.38 1f63 h LYS 145 N 0.71 0.83 -0.52 0.00 1.79 -0.82 -2.49 116.57 116.07 1f63 h LYS 145 Ca 0.08 -0.40 0.09 0.00 -2.18 0.00 0.00 60.65 58.24 1f63 h LYS 145 Cb 0.85 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.42 1f63 h LYS 145 CO 0.07 1.04 0.10 1.88 -1.08 0.00 0.00 179.45 181.46 1f63 h TYR 146 N 0.70 0.16 -0.84 -1.35 -1.99 -0.76 -1.25 116.97 111.64 1f63 h TYR 146 Ca 0.07 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 1f63 h TYR 146 Cb 0.88 0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.58 1f63 h TYR 146 CO 0.05 -0.01 0.48 -0.22 -0.00 0.00 0.00 178.16 178.46 1f63 h LYS 147 N 0.24 1.17 -0.26 4.88 3.64 -1.14 -0.14 116.57 124.96 1f63 h LYS 147 Ca 0.26 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1f63 h LYS 147 Cb 0.36 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1f63 h LYS 147 CO -0.34 0.84 -0.22 0.93 -2.27 0.00 0.00 179.45 178.39 1f63 h GLU 148 N 1.17 0.47 -0.00 1.90 5.08 -0.96 -2.65 114.58 119.59 1f63 h GLU 148 Ca 0.30 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1f63 h GLU 148 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1f63 h GLU 148 CO -0.05 0.67 -0.04 1.28 -1.00 0.00 0.00 179.01 179.86 1f63 n LEU 149 N -4.14 0.09 0.00 1.33 4.77 -0.53 -4.93 117.00 113.58 1f63 n LEU 149 Ca -0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1f63 n LEU 149 Cb 0.38 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1f63 n LEU 149 CO 0.41 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1f63 n GLY 150 N 1.38 0.93 0.62 -0.72 0.00 -0.83 -5.00 105.19 101.57 1f63 n GLY 150 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1f63 n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f63 n TYR 151 N -1.90 0.00 -4.21 1.61 9.36 -0.13 -5.02 117.16 116.87 1f63 n TYR 151 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 1f63 n TYR 151 Cb 0.00 -0.28 -0.05 0.00 -0.63 0.00 0.00 39.34 38.39 1f63 n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1f63 n GLN 152 N -3.85 -0.72 0.00 2.98 -0.06 -0.92 -4.88 117.38 109.94 1f63 n GLN 152 Ca -0.11 0.09 0.11 0.00 -2.00 0.00 0.00 57.00 55.09 1f63 n GLN 152 Cb 0.34 -3.17 0.09 0.00 -4.06 0.00 0.00 30.24 23.44 1f63 n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27