#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufp s VAL 1 N 0.00 -0.08 0.04 2.03 0.11 -1.26 -5.06 120.40 116.19 1ufp s VAL 1 Ca 0.00 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1ufp s VAL 1 Cb 0.00 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1ufp s VAL 1 CO 0.00 0.04 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.00 1ufp s LEU 2 N 1.51 3.26 0.94 2.54 1.02 -1.26 -5.10 118.68 121.59 1ufp s LEU 2 Ca -0.09 -0.18 -0.13 0.00 0.02 0.00 0.00 54.13 53.76 1ufp s LEU 2 Cb -0.09 -1.93 0.16 0.00 0.02 0.00 0.00 46.19 44.35 1ufp s LEU 2 CO -0.13 0.24 1.14 -0.94 0.02 0.00 0.00 176.35 176.68 1ufp s SER 3 N -1.77 3.19 0.21 2.29 1.04 -1.26 -4.83 113.70 112.57 1ufp s SER 3 Ca 0.20 0.94 -0.05 0.00 0.48 0.00 0.00 55.95 57.52 1ufp s SER 3 Cb -0.11 -1.49 0.18 0.00 0.10 0.00 0.00 66.02 64.69 1ufp s SER 3 CO 0.11 -2.75 1.64 -0.08 0.98 0.00 0.00 173.24 173.15 1ufp h GLU 4 N -1.63 0.84 -0.42 4.02 4.57 -1.99 -1.30 114.58 118.66 1ufp h GLU 4 Ca -0.51 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 57.31 1ufp h GLU 4 Cb 1.33 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 1ufp h GLU 4 CO 0.59 0.94 0.06 0.78 -1.18 0.00 0.00 179.01 180.19 1ufp h GLY 5 N 0.96 0.70 1.13 1.92 0.00 -1.99 -0.70 103.07 105.10 1ufp h GLY 5 Ca 0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1ufp h GLY 5 CO 0.05 0.38 -0.38 0.83 0.00 0.00 0.00 176.54 177.42 1ufp h GLU 6 N 0.63 0.95 -0.41 4.80 5.08 -1.77 -1.94 114.58 121.91 1ufp h GLU 6 Ca 0.14 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 1ufp h GLU 6 Cb 0.31 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1ufp h GLU 6 CO 0.01 1.15 0.00 -1.49 -1.00 0.00 0.00 179.01 177.68 1ufp h TRP 7 N 0.77 0.69 -0.13 4.33 4.06 -0.83 -1.80 115.95 123.05 1ufp h TRP 7 Ca 0.06 -0.08 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 1ufp h TRP 7 Cb 0.98 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.93 1ufp h TRP 7 CO 0.06 0.66 -0.31 1.96 -3.56 0.00 0.00 178.44 177.25 1ufp h GLN 8 N 0.63 0.25 -0.37 0.49 1.08 -0.92 0.30 115.11 116.57 1ufp h GLN 8 Ca 0.13 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1ufp h GLN 8 Cb 0.39 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1ufp h GLN 8 CO 0.01 0.54 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.27 1ufp h LEU 9 N 0.22 0.72 0.03 1.46 3.38 -0.75 0.13 115.31 120.48 1ufp h LEU 9 Ca 0.03 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ufp h LEU 9 Cb 0.67 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ufp h LEU 9 CO 0.05 0.92 -0.01 0.58 0.09 0.00 0.00 178.44 180.07 1ufp h VAL 10 N 0.51 1.06 0.00 1.22 2.07 -0.76 -2.23 116.25 118.12 1ufp h VAL 10 Ca 0.09 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1ufp h VAL 10 Cb 0.61 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1ufp h VAL 10 CO 0.04 0.06 -0.29 -0.07 0.02 0.00 0.00 177.57 177.33 1ufp h LEU 11 N -0.14 0.00 -0.03 2.57 3.38 -0.36 -1.60 115.31 119.12 1ufp h LEU 11 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ufp h LEU 11 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ufp h LEU 11 CO 0.01 0.29 0.00 -0.74 0.09 0.00 0.00 178.44 178.09 1ufp h HIS 12 N 0.00 0.06 -0.12 1.13 2.76 -0.51 -2.49 115.15 115.98 1ufp h HIS 12 Ca -0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 1ufp h HIS 12 Cb 0.52 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1ufp h HIS 12 CO 0.00 0.34 -0.31 -0.24 -1.30 0.00 0.00 177.93 176.42 1ufp h VAL 13 N -0.23 1.26 0.00 5.26 3.04 -1.23 -2.91 116.25 121.44 1ufp h VAL 13 Ca 0.01 -1.25 -0.05 0.00 -1.01 0.00 0.00 66.70 64.40 1ufp h VAL 13 Cb 0.32 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1ufp h VAL 13 CO 0.00 0.38 -0.23 -0.25 -1.01 0.00 0.00 177.57 176.46 1ufp h TRP 14 N 0.21 0.00 -0.14 3.17 2.91 -1.11 -1.22 115.95 119.76 1ufp h TRP 14 Ca 0.03 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 1ufp h TRP 14 Cb 0.65 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.29 1ufp h TRP 14 CO 0.01 0.23 -0.23 0.00 -1.03 0.00 0.00 178.44 177.42 1ufp h ALA 15 N 1.77 1.35 -0.10 2.65 0.00 -1.24 -1.19 119.26 122.50 1ufp h ALA 15 Ca -0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1ufp h ALA 15 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ufp h ALA 15 CO 0.03 0.45 -0.59 0.87 0.00 0.00 0.00 179.25 180.00 1ufp h LYS 16 N 0.22 0.33 -0.46 0.00 1.57 -1.30 -2.85 116.57 114.10 1ufp h LYS 16 Ca 0.04 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1ufp h LYS 16 Cb 0.54 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ufp h LYS 16 CO 0.04 0.83 -0.01 0.28 -0.57 0.00 0.00 179.45 180.02 1ufp h VAL 17 N 0.25 1.26 0.00 0.50 2.07 -0.90 -2.55 116.25 116.87 1ufp h VAL 17 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1ufp h VAL 17 Cb 1.11 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1ufp h VAL 17 CO 0.10 0.37 0.00 -0.62 0.02 0.00 0.00 177.57 177.44 1ufp n GLU 18 N -4.36 0.05 0.09 1.57 1.02 -0.51 -1.25 120.64 117.24 1ufp n GLU 18 Ca 0.00 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1ufp n GLU 18 Cb 0.31 -1.63 0.46 0.00 -0.02 0.00 0.00 31.44 30.56 1ufp n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ufp n ALA 19 N -1.59 2.06 -2.70 0.62 0.00 -0.96 -4.18 120.51 113.76 1ufp n ALA 19 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1ufp n ALA 19 Cb 0.10 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.20 1ufp n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ufp n ASP 20 N -2.07 -1.96 -0.13 0.00 2.03 -0.38 -5.02 116.55 109.01 1ufp n ASP 20 Ca 0.05 -2.68 -0.04 0.00 0.52 0.00 0.00 54.79 52.64 1ufp n ASP 20 Cb 0.34 1.42 0.04 0.00 -0.72 0.00 0.00 41.12 42.19 1ufp n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ufp h VAL 21 N 1.98 0.74 -0.30 5.18 2.07 -1.43 -1.97 116.25 122.51 1ufp h VAL 21 Ca -0.20 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1ufp h VAL 21 Cb 1.14 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1ufp h VAL 21 CO 0.07 0.03 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 1ufp h ALA 22 N 1.34 0.25 -0.73 1.67 0.00 -1.91 0.24 119.26 120.13 1ufp h ALA 22 Ca 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1ufp h ALA 22 Cb 0.28 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ufp h ALA 22 CO -0.30 -0.42 0.21 0.78 0.00 0.00 0.00 179.25 179.52 1ufp h GLY 23 N 0.07 1.22 1.04 0.00 0.00 -1.88 -2.07 103.07 101.44 1ufp h GLY 23 Ca 0.14 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 1ufp h GLY 23 CO -0.26 0.69 0.02 0.45 0.00 0.00 0.00 176.54 177.44 1ufp h HIS 24 N 1.08 1.04 -0.55 5.60 3.86 -0.85 -1.99 115.15 123.34 1ufp h HIS 24 Ca 0.23 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1ufp h HIS 24 Cb 0.33 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1ufp h HIS 24 CO 0.03 0.94 0.19 0.78 0.86 0.00 0.00 177.93 180.72 1ufp h GLY 25 N 0.84 0.87 0.98 2.45 0.00 -0.30 -0.10 103.07 107.81 1ufp h GLY 25 Ca 0.16 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1ufp h GLY 25 CO 0.02 0.44 -0.36 1.46 0.00 0.00 0.00 176.54 178.10 1ufp h GLN 26 N 0.80 0.69 -0.03 4.80 4.20 -1.24 -0.49 115.11 123.84 1ufp h GLN 26 Ca 0.18 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1ufp h GLN 26 Cb 0.21 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ufp h GLN 26 CO -0.01 1.02 0.01 -0.44 -0.67 0.00 0.00 178.83 178.74 1ufp h ASP 27 N 0.42 0.03 0.14 1.46 3.45 -1.09 -1.56 116.42 119.28 1ufp h ASP 27 Ca 0.03 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1ufp h ASP 27 Cb 0.94 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 1ufp h ASP 27 CO 0.08 0.15 -0.07 0.40 -1.57 0.00 0.00 179.24 178.24 1ufp h ILE 28 N -0.09 0.88 -0.81 0.35 2.04 -1.01 -1.03 117.51 117.85 1ufp h ILE 28 Ca 0.01 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1ufp h ILE 28 Cb 0.13 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1ufp h ILE 28 CO -0.00 0.02 0.44 -0.07 0.00 0.00 0.00 178.15 178.54 1ufp h LEU 29 N -0.22 1.02 -0.55 1.44 3.38 -1.08 -1.05 115.31 118.24 1ufp h LEU 29 Ca -0.02 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1ufp h LEU 29 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ufp h LEU 29 CO 0.03 0.83 -0.09 0.40 0.09 0.00 0.00 178.44 179.70 1ufp h ILE 30 N 1.13 1.27 -0.72 1.22 2.04 -1.21 -0.40 117.51 120.84 1ufp h ILE 30 Ca 0.29 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1ufp h ILE 30 Cb 0.04 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1ufp h ILE 30 CO -0.05 0.44 0.47 -0.09 0.00 0.00 0.00 178.15 178.93 1ufp h ARG 31 N 0.91 0.93 -0.28 2.37 9.65 -0.91 0.46 114.38 127.52 1ufp h ARG 31 Ca 0.14 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1ufp h ARG 31 Cb 0.66 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1ufp h ARG 31 CO 0.05 0.62 0.05 1.25 2.80 0.00 0.00 179.97 184.73 1ufp h LEU 32 N 0.96 0.44 -0.94 3.80 5.85 -0.82 -1.46 115.31 123.14 1ufp h LEU 32 Ca 0.27 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ufp h LEU 32 Cb -0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1ufp h LEU 32 CO -0.07 0.58 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.02 1ufp h PHE 33 N 0.28 0.00 0.08 1.25 0.04 -0.80 0.89 116.94 118.68 1ufp h PHE 33 Ca 0.09 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.60 1ufp h PHE 33 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ufp h PHE 33 CO 0.02 0.34 -1.16 0.87 -0.60 0.00 0.00 178.31 177.78 1ufp h LYS 34 N 0.00 0.18 0.12 1.51 1.79 -0.81 -2.68 116.57 116.68 1ufp h LYS 34 Ca -0.00 -0.30 -0.29 0.00 -2.18 0.00 0.00 60.65 57.88 1ufp h LYS 34 Cb 0.88 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1ufp h LYS 34 CO 0.04 1.14 -1.37 0.77 -1.08 0.00 0.00 179.45 178.96 1ufp h SER 35 N 0.05 0.39 -2.35 0.86 0.02 -1.17 -3.41 113.55 107.94 1ufp h SER 35 Ca -0.09 -0.47 -0.59 0.00 -0.84 0.00 0.00 61.79 59.81 1ufp h SER 35 Cb 1.90 -0.13 -0.39 0.00 0.14 0.00 0.00 62.40 63.93 1ufp h SER 35 CO 0.18 1.38 -0.96 1.41 -1.14 0.00 0.00 176.83 177.70 1ufp n HIS 36 N -3.48 -0.33 0.04 3.45 8.25 0.30 -5.00 115.22 118.44 1ufp n HIS 36 Ca -0.12 -3.47 0.21 0.00 -0.26 0.00 0.00 57.72 54.09 1ufp n HIS 36 Cb 1.03 0.04 0.73 0.00 1.12 0.00 0.00 29.99 32.92 1ufp n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ufp h PRO 37 N 5.24 0.00 0.00 -0.41 0.11 -1.68 -1.47 132.00 133.79 1ufp h PRO 37 Ca 0.22 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.28 1ufp h PRO 37 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1ufp h PRO 37 CO 0.43 0.00 -0.23 1.05 -0.21 0.00 0.00 178.00 179.04 1ufp h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.94 -1.87 114.58 120.92 1ufp h GLU 38 Ca 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.63 1ufp h GLU 38 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1ufp h GLU 38 CO -0.00 0.23 -0.08 1.79 0.05 0.00 0.00 179.01 181.00 1ufp h THR 39 N 0.00 0.82 -0.02 -1.06 1.35 -1.62 -2.22 112.91 110.17 1ufp h THR 39 Ca -0.00 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1ufp h THR 39 Cb 0.42 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1ufp h THR 39 CO 0.03 0.08 -0.05 0.25 -0.25 0.00 0.00 175.52 175.57 1ufp h LEU 40 N 0.00 0.02 -2.53 3.87 5.85 -1.49 -2.26 115.31 118.77 1ufp h LEU 40 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ufp h LEU 40 Cb 0.16 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1ufp h LEU 40 CO 0.01 0.07 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.84 1ufp h GLU 41 N 0.02 0.00 -0.00 1.25 5.08 -1.53 -2.42 114.58 116.97 1ufp h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ufp h GLU 41 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ufp h GLU 41 CO 0.01 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 1ufp n LYS 42 N -3.27 1.00 -3.75 2.33 4.76 -0.85 -4.54 118.16 113.84 1ufp n LYS 42 Ca -0.02 -0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 1ufp n LYS 42 Cb 0.13 -1.25 -0.13 0.00 -1.84 0.00 0.00 35.03 31.94 1ufp n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ufp s PHE 43 N -2.00 2.16 0.58 2.13 0.40 -0.91 -4.98 117.98 115.36 1ufp s PHE 43 Ca 0.24 -2.47 0.28 0.00 -0.60 0.00 0.00 56.93 54.38 1ufp s PHE 43 Cb 0.11 -2.02 1.60 0.00 0.51 0.00 0.00 43.02 43.22 1ufp s PHE 43 CO 0.19 -0.79 2.08 -0.44 0.70 0.00 0.00 175.22 176.95 1ufp h ASP 44 N 6.86 0.00 1.63 1.36 3.45 -1.85 0.40 116.42 128.28 1ufp h ASP 44 Ca -0.03 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.40 1ufp h ASP 44 Cb 0.93 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.70 1ufp h ASP 44 CO 0.51 0.00 -0.12 0.03 -1.57 0.00 0.00 179.24 178.09 1ufp h ARG 45 N 0.00 0.00 -0.01 3.56 3.08 -1.96 -3.37 114.38 115.68 1ufp h ARG 45 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 1ufp h ARG 45 Cb 0.57 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.34 1ufp h ARG 45 CO -0.00 0.12 -0.73 1.97 -1.07 0.00 0.00 179.97 180.26 1ufp n PHE 46 N -3.15 -0.00 1.26 3.04 -1.74 -0.84 -4.86 117.46 111.17 1ufp n PHE 46 Ca 0.03 -0.55 0.13 0.00 -0.56 0.00 0.00 57.45 56.50 1ufp n PHE 46 Cb 0.52 0.13 0.68 0.00 1.52 0.00 0.00 39.48 42.34 1ufp n PHE 46 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 1ufp n LYS 47 N 0.25 0.35 -0.26 3.97 2.85 0.14 -2.58 118.16 122.88 1ufp n LYS 47 Ca -0.08 0.03 0.09 0.00 -1.05 0.00 0.00 58.31 57.30 1ufp n LYS 47 Cb 0.96 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 34.09 1ufp n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ufp n HIS 48 N -1.31 0.68 -2.91 5.58 8.25 -1.26 -4.84 115.22 119.41 1ufp n HIS 48 Ca 0.12 -0.34 -0.41 0.00 -0.26 0.00 0.00 57.72 56.84 1ufp n HIS 48 Cb 0.23 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 1ufp n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ufp s LEU 49 N -1.11 4.32 -0.08 2.41 1.43 -1.06 -4.95 118.68 119.64 1ufp s LEU 49 Ca 0.37 1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 54.80 1ufp s LEU 49 Cb 0.20 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1ufp s LEU 49 CO 0.26 -0.21 -0.09 0.29 0.23 0.00 0.00 176.35 176.84 1ufp n LYS 50 N 4.02 0.18 -3.37 1.70 5.02 -1.26 -5.00 118.16 119.44 1ufp n LYS 50 Ca 0.02 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 1ufp n LYS 50 Cb 0.51 -0.91 -0.01 0.00 -0.02 0.00 0.00 35.03 34.60 1ufp n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ufp s THR 51 N -2.15 5.10 0.38 -0.18 -4.23 -1.26 -4.98 115.64 108.33 1ufp s THR 51 Ca -0.11 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 1ufp s THR 51 Cb 0.04 -3.86 0.16 0.00 1.34 0.00 0.00 72.50 70.18 1ufp s THR 51 CO 0.15 -0.55 1.91 -0.08 -0.54 0.00 0.00 174.62 175.51 1ufp h GLU 52 N 0.79 0.27 -0.06 3.99 4.81 -1.98 0.88 114.58 123.29 1ufp h GLU 52 Ca -0.50 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1ufp h GLU 52 Cb 1.22 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ufp h GLU 52 CO 0.62 0.40 0.02 0.00 -0.73 0.00 0.00 179.01 179.32 1ufp h ALA 53 N 1.63 0.08 -0.17 2.92 0.00 -1.99 0.21 119.26 121.94 1ufp h ALA 53 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ufp h ALA 53 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ufp h ALA 53 CO 0.02 -0.33 -0.01 0.93 0.00 0.00 0.00 179.25 179.86 1ufp h GLU 54 N -0.08 0.25 -0.20 0.00 5.08 -1.76 -1.72 114.58 116.14 1ufp h GLU 54 Ca 0.02 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1ufp h GLU 54 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ufp h GLU 54 CO -0.00 0.29 -0.55 0.52 -1.00 0.00 0.00 179.01 178.26 1ufp h MET 55 N 0.25 0.73 0.00 2.33 2.86 -0.29 -2.45 114.93 118.36 1ufp h MET 55 Ca 0.06 -0.52 -0.07 0.00 -2.06 0.00 0.00 59.70 57.11 1ufp h MET 55 Cb 0.19 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1ufp h MET 55 CO 0.00 1.14 -0.32 0.87 1.06 0.00 0.00 176.91 179.66 1ufp h LYS 56 N 0.45 0.00 0.00 1.72 1.57 -0.22 -2.77 116.57 117.32 1ufp h LYS 56 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ufp h LYS 56 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ufp h LYS 56 CO 0.12 0.32 -0.46 0.00 -0.57 0.00 0.00 179.45 178.87 1ufp n ALA 57 N -2.30 3.29 -2.30 3.86 0.00 -0.68 -4.89 120.51 117.49 1ufp n ALA 57 Ca -0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1ufp n ALA 57 Cb 0.46 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1ufp n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ufp s SER 58 N -3.20 6.90 0.11 0.00 0.15 -0.93 -4.91 113.70 111.84 1ufp s SER 58 Ca 0.11 1.99 -0.00 0.00 0.70 0.00 0.00 55.95 58.74 1ufp s SER 58 Cb 0.17 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.74 1ufp s SER 58 CO 0.68 -0.70 1.24 -0.08 1.20 0.00 0.00 173.24 175.58 1ufp h GLU 59 N 7.90 0.21 -0.46 5.44 4.57 -1.90 -2.67 114.58 127.67 1ufp h GLU 59 Ca -0.35 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.50 1ufp h GLU 59 Cb 1.16 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 1ufp h GLU 59 CO 0.91 1.10 0.19 -0.44 -1.18 0.00 0.00 179.01 179.59 1ufp h ASP 60 N 0.08 0.63 -0.34 1.04 3.32 -1.92 -0.11 116.42 119.13 1ufp h ASP 60 Ca -0.08 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 1ufp h ASP 60 Cb 1.78 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 1ufp h ASP 60 CO 0.17 0.62 -0.06 0.25 -1.72 0.00 0.00 179.24 178.50 1ufp h LEU 61 N 0.60 0.63 0.07 1.55 6.46 -1.89 -0.06 115.31 122.68 1ufp h LEU 61 Ca 0.15 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1ufp h LEU 61 Cb 0.18 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1ufp h LEU 61 CO -0.01 0.83 -0.09 0.50 -0.62 0.00 0.00 178.44 179.05 1ufp h LYS 62 N 0.42 -0.19 -0.79 1.25 3.64 -1.31 0.13 116.57 119.72 1ufp h LYS 62 Ca 0.09 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1ufp h LYS 62 Cb 0.55 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1ufp h LYS 62 CO 0.03 -0.13 0.42 0.87 -2.27 0.00 0.00 179.45 178.37 1ufp h LYS 63 N -0.20 1.10 -0.53 1.90 1.57 -0.96 -1.94 116.57 117.50 1ufp h LYS 63 Ca 0.01 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1ufp h LYS 63 Cb 0.21 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1ufp h LYS 63 CO -0.04 0.81 0.10 1.25 -0.57 0.00 0.00 179.45 181.00 1ufp h HIS 64 N 1.10 0.93 -0.97 -1.35 2.76 -0.55 -1.41 115.15 115.66 1ufp h HIS 64 Ca 0.28 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1ufp h HIS 64 Cb 0.04 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 1ufp h HIS 64 CO 0.01 0.82 0.64 0.78 -1.30 0.00 0.00 177.93 178.88 1ufp h GLY 65 N 0.77 1.36 1.13 5.26 0.00 -0.21 -0.72 103.07 110.66 1ufp h GLY 65 Ca 0.16 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1ufp h GLY 65 CO 0.01 0.49 0.01 -2.08 0.00 0.00 0.00 176.54 174.96 1ufp h VAL 66 N 1.30 1.26 -0.45 4.60 2.07 -1.04 -1.44 116.25 122.55 1ufp h VAL 66 Ca 0.36 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1ufp h VAL 66 Cb -0.14 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1ufp h VAL 66 CO -0.08 0.41 -0.15 0.74 0.02 0.00 0.00 177.57 178.51 1ufp h THR 67 N 0.95 1.27 0.02 2.57 2.02 -0.74 -1.32 112.91 117.69 1ufp h THR 67 Ca 0.17 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1ufp h THR 67 Cb 0.54 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1ufp h THR 67 CO 0.03 0.44 -0.01 0.58 0.37 0.00 0.00 175.52 176.93 1ufp h VAL 68 N 0.74 1.10 -0.29 3.16 2.07 -0.99 -2.19 116.25 119.85 1ufp h VAL 68 Ca 0.11 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1ufp h VAL 68 Cb 0.71 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1ufp h VAL 68 CO 0.05 0.10 -0.23 -0.07 0.02 0.00 0.00 177.57 177.44 1ufp h LEU 69 N -0.19 0.55 -0.29 2.57 3.38 -1.29 -1.38 115.31 118.65 1ufp h LEU 69 Ca -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1ufp h LEU 69 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ufp h LEU 69 CO 0.00 0.77 0.07 0.74 0.09 0.00 0.00 178.44 180.12 1ufp h THR 70 N 0.48 1.22 -0.37 0.22 2.02 -1.19 0.29 112.91 115.58 1ufp h THR 70 Ca 0.07 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 1ufp h THR 70 Cb 0.66 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1ufp h THR 70 CO 0.05 0.24 -0.09 0.00 0.37 0.00 0.00 175.52 176.08 1ufp h ALA 71 N 0.89 1.14 -0.13 6.16 0.00 -1.27 -2.10 119.26 123.96 1ufp h ALA 71 Ca 0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1ufp h ALA 71 Cb 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ufp h ALA 71 CO 0.00 0.54 -0.22 1.25 0.00 0.00 0.00 179.25 180.82 1ufp h LEU 72 N 0.59 0.42 -1.63 0.00 5.85 -1.01 -2.75 115.31 116.79 1ufp h LEU 72 Ca 0.11 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.37 1ufp h LEU 72 Cb 0.51 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1ufp h LEU 72 CO 0.03 0.88 0.38 1.23 -0.34 0.00 0.00 178.44 180.62 1ufp h GLY 73 N -0.02 0.58 1.64 3.75 0.00 -0.28 -0.43 103.07 108.31 1ufp h GLY 73 Ca 0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 1ufp h GLY 73 CO 0.05 0.12 -0.65 0.00 0.00 0.00 0.00 176.54 176.06 1ufp h ALA 74 N 1.70 0.71 -0.04 3.60 0.00 -1.29 -2.75 119.26 121.20 1ufp h ALA 74 Ca 0.26 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 1ufp h ALA 74 Cb 0.44 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ufp h ALA 74 CO -0.07 0.74 -0.89 0.82 0.00 0.00 0.00 179.25 179.84 1ufp h ILE 75 N 0.26 1.36 -0.33 0.00 2.04 -0.96 -3.26 117.51 116.62 1ufp h ILE 75 Ca -0.01 -2.29 -0.10 0.00 1.00 0.00 0.00 64.86 63.46 1ufp h ILE 75 Cb 1.19 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 1ufp h ILE 75 CO 0.11 0.69 -0.20 -0.07 0.00 0.00 0.00 178.15 178.69 1ufp h LEU 76 N 0.31 0.62 -0.58 1.44 3.38 -1.12 -2.37 115.31 116.99 1ufp h LEU 76 Ca -0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ufp h LEU 76 Cb 1.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1ufp h LEU 76 CO 0.16 0.82 0.00 0.29 0.09 0.00 0.00 178.44 179.80 1ufp n LYS 77 N -4.14 0.12 0.11 1.13 5.02 -1.04 -1.21 118.16 118.15 1ufp n LYS 77 Ca 0.00 0.42 0.13 0.00 -2.02 0.00 0.00 58.31 56.84 1ufp n LYS 77 Cb 0.39 -1.76 0.36 0.00 -0.02 0.00 0.00 35.03 34.01 1ufp n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ufp h LYS 78 N 0.00 0.00 -6.49 1.97 1.79 -1.50 -3.48 116.57 108.87 1ufp h LYS 78 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1ufp h LYS 78 Cb 0.25 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.80 1ufp h LYS 78 CO 0.00 0.00 -0.81 1.63 -1.08 0.00 0.00 179.45 179.19 1ufp n LYS 79 N -2.29 -4.20 0.00 3.15 5.02 -0.35 -2.24 118.16 117.25 1ufp n LYS 79 Ca 0.05 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1ufp n LYS 79 Cb 0.44 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 1ufp n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ufp n GLY 80 N -1.62 2.07 2.86 0.72 0.00 -1.26 -4.96 105.19 102.99 1ufp n GLY 80 Ca -0.03 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1ufp n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufp n HIS 81 N 0.00 2.51 -1.21 1.61 8.25 -0.95 -4.66 115.22 120.77 1ufp n HIS 81 Ca 0.00 -2.64 0.04 0.00 -0.26 0.00 0.00 57.72 54.86 1ufp n HIS 81 Cb 0.00 -1.47 0.21 0.00 1.12 0.00 0.00 29.99 29.86 1ufp n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ufp n HIS 82 N 1.76 0.78 -0.03 4.41 1.44 -1.26 -4.76 115.22 117.56 1ufp n HIS 82 Ca 0.36 -1.20 -0.08 0.00 -2.01 0.00 0.00 57.72 54.79 1ufp n HIS 82 Cb 0.32 -0.35 -0.02 0.00 0.12 0.00 0.00 29.99 30.06 1ufp n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1ufp h GLU 83 N 1.15 -0.11 -0.19 -1.40 4.22 -1.98 -1.68 114.58 114.60 1ufp h GLU 83 Ca 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1ufp h GLU 83 Cb 1.42 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1ufp h GLU 83 CO 0.23 -0.08 0.06 0.00 -2.18 0.00 0.00 179.01 177.05 1ufp h ALA 84 N 1.03 1.76 -0.44 2.92 0.00 -2.01 -0.69 119.26 121.83 1ufp h ALA 84 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ufp h ALA 84 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ufp h ALA 84 CO -0.27 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1ufp n GLU 85 N -4.44 2.55 0.00 0.00 4.71 -0.79 -4.35 120.64 118.33 1ufp n GLU 85 Ca -0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.34 1ufp n GLU 85 Cb 0.13 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1ufp n GLU 85 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ufp n LEU 86 N 0.73 1.99 -0.33 -4.62 0.00 -0.42 -4.51 117.00 109.85 1ufp n LEU 86 Ca 0.16 0.00 0.26 0.00 0.00 0.00 0.00 56.01 56.44 1ufp n LEU 86 Cb 0.55 0.00 0.50 0.00 0.00 0.00 0.00 43.42 44.46 1ufp n LEU 86 CO 0.14 0.32 1.03 0.50 0.00 0.00 0.00 177.39 179.38 1ufp h LYS 87 N 0.00 0.09 0.11 1.96 3.64 -1.38 0.27 116.57 121.26 1ufp h LYS 87 Ca 0.00 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 1ufp h LYS 87 Cb 0.71 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1ufp h LYS 87 CO 0.00 0.06 -1.03 -1.00 -2.27 0.00 0.00 179.45 175.22 1ufp h PRO 88 N 0.10 0.50 0.00 1.90 0.13 -1.85 -2.37 132.00 130.41 1ufp h PRO 88 Ca 0.76 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ufp h PRO 88 Cb 1.87 0.23 0.00 0.00 0.13 0.00 0.00 31.00 33.24 1ufp h PRO 88 CO -0.74 1.30 0.02 -0.11 -0.23 0.00 0.00 178.00 178.23 1ufp n LEU 89 N -3.96 0.28 -0.03 1.56 0.00 -0.01 -2.56 117.00 112.29 1ufp n LEU 89 Ca -0.13 0.62 -0.02 0.00 0.00 0.00 0.00 56.01 56.47 1ufp n LEU 89 Cb 0.89 -0.65 -0.01 0.00 0.00 0.00 0.00 43.42 43.65 1ufp n LEU 89 CO 0.54 -0.71 -0.19 0.00 0.00 0.00 0.00 177.39 177.03 1ufp n ALA 90 N -1.63 0.24 -0.61 1.96 0.00 -0.66 -4.06 120.51 115.74 1ufp n ALA 90 Ca -0.01 -0.36 0.48 0.00 0.00 0.00 0.00 53.44 53.55 1ufp n ALA 90 Cb 0.04 0.01 0.75 0.00 0.00 0.00 0.00 19.45 20.25 1ufp n ALA 90 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ufp n GLN 91 N -3.13 -0.01 0.00 0.00 -0.06 -0.90 -1.38 117.38 111.91 1ufp n GLN 91 Ca -0.04 1.11 0.00 0.00 -2.00 0.00 0.00 57.00 56.07 1ufp n GLN 91 Cb 0.14 -2.42 0.00 0.00 -4.06 0.00 0.00 30.24 23.91 1ufp n GLN 91 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ufp n SER 92 N -4.12 0.00 0.00 1.69 2.88 -1.06 -2.21 113.62 110.80 1ufp n SER 92 Ca 0.42 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1ufp n SER 92 Cb 1.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.28 1ufp n SER 92 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ufp n HIS 93 N -0.21 0.00 -0.10 0.66 8.25 -0.97 0.20 115.22 123.05 1ufp n HIS 93 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1ufp n HIS 93 Cb 0.00 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 30.93 1ufp n HIS 93 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ufp n ALA 94 N -1.01 0.84 -0.01 -1.41 0.00 -0.48 -0.40 120.51 118.04 1ufp n ALA 94 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 53.44 52.76 1ufp n ALA 94 Cb 0.06 -0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 1ufp n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ufp n THR 95 N -4.44 0.50 -0.09 0.00 -2.24 -0.21 -4.12 114.28 103.69 1ufp n THR 95 Ca -0.26 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.69 1ufp n THR 95 Cb 0.58 -0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 1ufp n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ufp n LYS 96 N -2.49 0.64 -0.04 -0.78 4.81 0.53 -4.79 118.16 116.04 1ufp n LYS 96 Ca -0.10 0.35 -0.04 0.00 -0.87 0.00 0.00 58.31 57.65 1ufp n LYS 96 Cb 0.71 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 34.07 1ufp n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ufp n HIS 97 N -3.96 0.00 -2.30 5.64 8.25 -1.20 -4.99 115.22 116.66 1ufp n HIS 97 Ca -0.40 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.00 1ufp n HIS 97 Cb 0.88 -0.35 0.03 0.00 1.12 0.00 0.00 29.99 31.66 1ufp n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ufp n LYS 98 N -2.42 -1.36 -2.89 -0.41 5.02 -0.42 -4.99 118.16 110.69 1ufp n LYS 98 Ca -0.13 0.35 -0.43 0.00 -2.02 0.00 0.00 58.31 56.08 1ufp n LYS 98 Cb 0.72 -3.42 -0.05 0.00 -0.02 0.00 0.00 35.03 32.26 1ufp n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ufp s ILE 99 N -3.16 4.60 0.55 -0.18 -1.09 0.46 -5.00 121.20 117.37 1ufp s ILE 99 Ca 0.14 0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 59.11 1ufp s ILE 99 Cb -0.02 -4.34 -0.06 0.00 -1.58 0.00 0.00 42.46 36.46 1ufp s ILE 99 CO 0.30 -0.67 1.09 -2.65 -1.23 0.00 0.00 174.94 171.78 1ufp n PRO 100 N 6.82 1.24 -0.33 2.79 -0.02 -1.26 -4.91 135.00 139.33 1ufp n PRO 100 Ca 0.04 0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1ufp n PRO 100 Cb 0.48 -2.26 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 1ufp n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ufp h ILE 101 N 1.00 1.14 -0.61 4.25 2.04 0.12 -1.67 117.51 123.79 1ufp h ILE 101 Ca -0.48 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.07 1ufp h ILE 101 Cb 1.34 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1ufp h ILE 101 CO 0.54 0.20 0.41 0.07 0.00 0.00 0.00 178.15 179.37 1ufp h LYS 102 N 1.11 0.50 -0.38 2.37 2.10 -1.91 -0.86 116.57 119.50 1ufp h LYS 102 Ca 0.36 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.88 1ufp h LYS 102 Cb 0.01 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 1ufp h LYS 102 CO -0.12 0.33 -0.16 1.88 -2.00 0.00 0.00 179.45 179.38 1ufp h TYR 103 N 0.52 0.78 -0.21 0.07 -1.99 -1.66 -1.34 116.97 113.13 1ufp h TYR 103 Ca 0.27 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 1ufp h TYR 103 Cb 0.40 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1ufp h TYR 103 CO -0.00 0.82 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.85 1ufp h LEU 104 N 0.63 0.29 -0.80 3.88 3.38 -1.04 -0.35 115.31 121.30 1ufp h LEU 104 Ca 0.10 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1ufp h LEU 104 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1ufp h LEU 104 CO 0.04 0.40 -0.46 -0.33 0.09 0.00 0.00 178.44 178.18 1ufp h GLU 105 N 0.31 0.31 -0.34 1.13 5.08 -0.76 -1.96 114.58 118.35 1ufp h GLU 105 Ca 0.07 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1ufp h GLU 105 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ufp h GLU 105 CO 0.01 0.72 -0.16 0.74 -1.00 0.00 0.00 179.01 179.32 1ufp h PHE 106 N 0.25 0.81 0.00 4.33 0.04 -0.06 -2.80 116.94 119.51 1ufp h PHE 106 Ca 0.02 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 1ufp h PHE 106 Cb 0.92 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1ufp h PHE 106 CO 0.02 0.91 -0.36 0.97 -0.60 0.00 0.00 178.31 179.25 1ufp h ILE 107 N 0.48 0.83 -0.44 -0.55 2.10 -1.08 -2.55 117.51 116.29 1ufp h ILE 107 Ca 0.07 -1.50 -0.08 0.00 1.08 0.00 0.00 64.86 64.43 1ufp h ILE 107 Cb 0.70 1.93 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 1ufp h ILE 107 CO 0.05 0.35 -0.05 0.28 -1.08 0.00 0.00 178.15 177.70 1ufp h SER 108 N 0.00 0.81 -0.73 2.19 0.02 -1.28 -0.75 113.55 113.81 1ufp h SER 108 Ca -0.00 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1ufp h SER 108 Cb 0.90 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1ufp h SER 108 CO 0.05 0.95 0.25 -0.08 -1.14 0.00 0.00 176.83 176.86 1ufp h GLU 109 N 0.65 1.13 -0.58 3.45 4.22 -1.28 -1.64 114.58 120.54 1ufp h GLU 109 Ca 0.12 -0.22 -0.11 0.00 0.08 0.00 0.00 59.36 59.23 1ufp h GLU 109 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ufp h GLU 109 CO 0.03 0.94 -0.05 0.00 -2.18 0.00 0.00 179.01 177.76 1ufp h ALA 110 N 1.18 0.79 -0.13 2.92 0.00 -1.24 -1.42 119.26 121.36 1ufp h ALA 110 Ca 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ufp h ALA 110 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ufp h ALA 110 CO -0.01 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.78 1ufp h ILE 111 N 0.95 1.13 -0.48 0.00 2.04 -0.81 -0.27 117.51 120.07 1ufp h ILE 111 Ca 0.16 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1ufp h ILE 111 Cb 0.62 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1ufp h ILE 111 CO 0.04 0.12 0.21 0.40 0.00 0.00 0.00 178.15 178.91 1ufp h ILE 112 N 0.08 1.20 -0.22 -0.67 1.08 -1.27 -0.57 117.51 117.14 1ufp h ILE 112 Ca 0.05 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1ufp h ILE 112 Cb 0.14 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1ufp h ILE 112 CO -0.01 0.23 0.13 -0.74 -0.69 0.00 0.00 178.15 177.07 1ufp h HIS 113 N 0.63 0.30 -0.65 1.37 2.76 -1.13 -1.27 115.15 117.15 1ufp h HIS 113 Ca 0.16 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1ufp h HIS 113 Cb 0.17 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1ufp h HIS 113 CO -0.00 0.24 0.11 0.28 -1.30 0.00 0.00 177.93 177.26 1ufp h VAL 114 N 0.26 1.26 -0.52 5.26 2.07 -0.90 -1.02 116.25 122.66 1ufp h VAL 114 Ca 0.08 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 1ufp h VAL 114 Cb 0.04 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ufp h VAL 114 CO -0.01 0.38 -0.07 -0.07 0.02 0.00 0.00 177.57 177.82 1ufp h LEU 115 N 1.00 0.92 -0.28 2.57 3.38 -0.97 -1.17 115.31 120.76 1ufp h LEU 115 Ca 0.20 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1ufp h LEU 115 Cb 0.43 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ufp h LEU 115 CO 0.01 1.02 -0.01 -0.74 0.09 0.00 0.00 178.44 178.81 1ufp h HIS 116 N 0.85 0.55 -0.82 1.13 2.76 -1.03 -0.89 115.15 117.68 1ufp h HIS 116 Ca 0.14 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1ufp h HIS 116 Cb 0.59 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 1ufp h HIS 116 CO 0.04 0.65 0.38 1.03 -1.30 0.00 0.00 177.93 178.73 1ufp h SER 117 N 0.28 1.09 1.03 3.26 0.87 -1.03 -1.39 113.55 117.67 1ufp h SER 117 Ca 0.08 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1ufp h SER 117 Cb 0.44 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1ufp h SER 117 CO 0.02 0.94 -0.88 0.03 -0.53 0.00 0.00 176.83 176.40 1ufp h ARG 118 N 1.18 0.00 -1.35 2.24 3.08 -1.20 -3.40 114.38 114.93 1ufp h ARG 118 Ca 0.28 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.93 1ufp h ARG 118 Cb 0.15 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.80 1ufp h ARG 118 CO -0.03 0.00 -1.18 0.72 -1.07 0.00 0.00 179.97 178.41 1ufp n HIS 119 N -2.60 0.70 0.28 3.04 8.25 -0.34 -4.95 115.22 119.60 1ufp n HIS 119 Ca 0.01 -3.16 0.14 0.00 -0.26 0.00 0.00 57.72 54.45 1ufp n HIS 119 Cb 0.53 -0.35 0.81 0.00 1.12 0.00 0.00 29.99 32.10 1ufp n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ufp h PRO 120 N 2.99 0.00 0.00 -0.41 0.13 -1.43 -0.30 132.00 132.97 1ufp h PRO 120 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1ufp h PRO 120 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ufp h PRO 120 CO 0.49 0.07 0.00 0.78 -0.23 0.00 0.00 178.00 179.11 1ufp h GLY 121 N 0.47 0.00 0.00 1.56 0.00 -1.92 -3.35 103.07 99.82 1ufp h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ufp h GLY 121 CO 0.01 0.00 -0.77 2.09 0.00 0.00 0.00 176.54 177.87 1ufp n ASP 122 N -2.94 3.86 -4.22 0.19 5.75 -1.11 -4.86 116.55 113.22 1ufp n ASP 122 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.37 1ufp n ASP 122 Cb 0.34 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1ufp n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1ufp n PHE 123 N -1.61 4.15 -1.50 2.11 7.35 -0.14 -4.73 117.46 123.09 1ufp n PHE 123 Ca 0.00 -2.99 0.00 0.00 -0.76 0.00 0.00 57.45 53.70 1ufp n PHE 123 Cb 0.35 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 37.79 1ufp n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ufp n GLY 124 N 4.29 1.06 0.29 7.13 0.00 -1.26 -4.75 105.19 111.94 1ufp n GLY 124 Ca 0.45 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.51 1ufp n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufp h ALA 125 N -1.18 0.94 0.13 4.61 0.00 -1.97 0.00 119.26 121.79 1ufp h ALA 125 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ufp h ALA 125 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ufp h ALA 125 CO 0.00 0.31 -0.06 -0.44 0.00 0.00 0.00 179.25 179.05 1ufp h ASP 126 N 0.96 -0.15 -0.81 0.00 5.19 -1.94 0.18 116.42 119.84 1ufp h ASP 126 Ca 0.28 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1ufp h ASP 126 Cb -0.06 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 1ufp h ASP 126 CO -0.08 -0.07 0.40 0.00 -3.12 0.00 0.00 179.24 176.37 1ufp h ALA 127 N 0.65 1.04 -0.37 3.45 0.00 -1.81 -1.56 119.26 120.66 1ufp h ALA 127 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1ufp h ALA 127 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ufp h ALA 127 CO 0.03 0.60 -0.21 1.96 0.00 0.00 0.00 179.25 181.63 1ufp h GLN 128 N 1.14 0.71 -0.47 0.00 4.20 -0.86 -0.86 115.11 118.98 1ufp h GLN 128 Ca 0.28 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1ufp h GLN 128 Cb 0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ufp h GLN 128 CO -0.04 0.86 -0.11 0.78 -0.67 0.00 0.00 178.83 179.66 1ufp h GLY 129 N 0.98 0.98 0.94 3.46 0.00 -0.65 -0.27 103.07 108.52 1ufp h GLY 129 Ca 0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1ufp h GLY 129 CO 0.05 0.74 -0.11 0.00 0.00 0.00 0.00 176.54 177.22 1ufp h ALA 130 N 0.88 0.47 -0.63 3.60 0.00 -1.16 -1.66 119.26 120.76 1ufp h ALA 130 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ufp h ALA 130 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ufp h ALA 130 CO 0.05 0.35 0.21 1.98 0.00 0.00 0.00 179.25 181.83 1ufp h MET 131 N 0.46 0.98 -0.49 0.00 -1.53 -1.09 0.65 114.93 113.90 1ufp h MET 131 Ca 0.08 -0.21 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 1ufp h MET 131 Cb 0.63 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.51 1ufp h MET 131 CO 0.04 0.86 0.32 -0.97 0.14 0.00 0.00 176.91 177.30 1ufp h ASN 132 N 0.91 0.55 -0.84 1.39 -1.24 -0.94 0.72 115.58 116.12 1ufp h ASN 132 Ca 0.21 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 1ufp h ASN 132 Cb 0.28 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 1ufp h ASN 132 CO -0.01 0.39 0.38 0.11 -1.29 0.00 0.00 177.43 177.02 1ufp h LYS 133 N 0.65 1.23 -0.24 6.67 1.57 -0.88 0.14 116.57 125.70 1ufp h LYS 133 Ca 0.18 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ufp h LYS 133 Cb -0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1ufp h LYS 133 CO -0.05 0.96 0.11 0.00 -0.57 0.00 0.00 179.45 179.90 1ufp h ALA 134 N 1.21 0.31 0.00 3.86 0.00 -0.18 -0.28 119.26 124.18 1ufp h ALA 134 Ca 0.29 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1ufp h ALA 134 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ufp h ALA 134 CO -0.03 -0.11 -0.38 -0.07 0.00 0.00 0.00 179.25 178.65 1ufp h LEU 135 N 0.25 0.00 -0.14 0.00 3.38 -0.64 -1.50 115.31 116.67 1ufp h LEU 135 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1ufp h LEU 135 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ufp h LEU 135 CO -0.01 0.38 -0.55 -0.08 0.09 0.00 0.00 178.44 178.27 1ufp h GLU 136 N 0.00 0.62 -0.50 1.13 4.81 -0.72 -0.48 114.58 119.43 1ufp h GLU 136 Ca -0.00 -0.48 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1ufp h GLU 136 Cb 0.81 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1ufp h GLU 136 CO 0.05 1.10 0.30 1.25 -0.73 0.00 0.00 179.01 180.98 1ufp h LEU 137 N 0.27 0.48 -0.68 1.64 5.85 -0.86 -1.44 115.31 120.56 1ufp h LEU 137 Ca -0.03 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1ufp h LEU 137 Cb 1.19 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1ufp h LEU 137 CO 0.12 0.34 0.42 0.15 -0.34 0.00 0.00 178.44 179.12 1ufp h PHE 138 N 0.59 0.78 -0.43 1.25 3.57 -1.12 -1.62 116.94 119.95 1ufp h PHE 138 Ca 0.20 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 1ufp h PHE 138 Cb 0.03 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1ufp h PHE 138 CO -0.07 0.43 -0.13 0.00 -2.23 0.00 0.00 178.31 176.32 1ufp h ARG 139 N 0.81 0.85 -0.48 1.11 3.08 -0.56 -2.44 114.38 116.75 1ufp h ARG 139 Ca 0.28 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ufp h ARG 139 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1ufp h ARG 139 CO -0.12 0.97 0.26 0.87 -1.07 0.00 0.00 179.97 180.88 1ufp h LYS 140 N 0.68 0.67 -0.60 0.04 1.57 -0.94 -0.10 116.57 117.88 1ufp h LYS 140 Ca 0.11 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1ufp h LYS 140 Cb 0.67 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1ufp h LYS 140 CO 0.05 0.52 0.11 -0.44 -0.57 0.00 0.00 179.45 179.12 1ufp h ASP 141 N 0.63 0.91 -0.58 0.86 5.19 -1.28 -0.15 116.42 122.01 1ufp h ASP 141 Ca 0.17 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1ufp h ASP 141 Cb 0.05 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1ufp h ASP 141 CO -0.03 0.91 -0.01 0.40 -3.12 0.00 0.00 179.24 177.39 1ufp h ILE 142 N 0.92 1.26 -0.05 0.35 2.04 -1.10 -1.70 117.51 119.23 1ufp h ILE 142 Ca 0.19 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 1ufp h ILE 142 Cb 0.38 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1ufp h ILE 142 CO 0.01 0.42 -0.37 0.00 0.00 0.00 0.00 178.15 178.21 1ufp h ALA 143 N 1.02 1.30 -0.37 1.87 0.00 -0.63 -1.23 119.26 121.21 1ufp h ALA 143 Ca 0.17 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1ufp h ALA 143 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ufp h ALA 143 CO 0.03 0.50 -0.06 0.00 0.00 0.00 0.00 179.25 179.72 1ufp h ALA 144 N 1.54 0.51 -0.64 0.00 0.00 -0.54 -0.94 119.26 119.19 1ufp h ALA 144 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1ufp h ALA 144 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ufp h ALA 144 CO 0.05 0.34 0.06 0.87 0.00 0.00 0.00 179.25 180.57 1ufp h LYS 145 N 0.51 1.09 0.32 0.00 1.79 -1.01 0.14 116.57 119.40 1ufp h LYS 145 Ca 0.10 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1ufp h LYS 145 Cb 0.57 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1ufp h LYS 145 CO 0.03 1.02 -0.19 1.88 -1.08 0.00 0.00 179.45 181.11 1ufp h TYR 146 N 1.00 -0.51 -0.76 -1.35 0.05 -1.05 -1.85 116.97 112.52 1ufp h TYR 146 Ca 0.19 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.14 1ufp h TYR 146 Cb 0.49 0.18 -0.13 0.00 1.01 0.00 0.00 36.73 38.28 1ufp h TYR 146 CO 0.04 -0.29 0.03 0.87 -1.05 0.00 0.00 178.16 177.76 1ufp h LYS 147 N -0.47 0.11 0.00 4.88 1.57 -1.06 1.69 116.57 123.28 1ufp h LYS 147 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ufp h LYS 147 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1ufp h LYS 147 CO 0.05 0.07 0.02 -1.91 -0.57 0.00 0.00 179.45 177.12 1ufp n GLU 148 N -5.33 0.12 -0.13 3.15 2.13 0.50 -1.42 120.64 119.66 1ufp n GLU 148 Ca 0.14 0.62 0.06 0.00 0.66 0.00 0.00 57.16 58.64 1ufp n GLU 148 Cb 0.48 -1.94 0.12 0.00 0.27 0.00 0.00 31.44 30.38 1ufp n GLU 148 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ufp n LEU 149 N -2.18 2.61 0.00 4.31 4.32 0.57 -5.00 117.00 121.63 1ufp n LEU 149 Ca -0.01 -2.58 0.00 0.00 -0.02 0.00 0.00 56.01 53.39 1ufp n LEU 149 Cb 0.05 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1ufp n LEU 149 CO 0.09 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 1ufp n GLY 150 N -0.69 2.94 3.73 -0.72 0.00 -0.51 -5.00 105.19 104.93 1ufp n GLY 150 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1ufp n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ufp s TYR 151 N -1.17 3.37 -0.86 1.61 6.04 -1.09 -4.91 117.35 120.34 1ufp s TYR 151 Ca 0.00 1.28 0.01 0.00 0.04 0.00 0.00 57.07 58.40 1ufp s TYR 151 Cb 0.00 -3.50 0.32 0.00 -1.04 0.00 0.00 41.96 37.74 1ufp s TYR 151 CO 0.00 -1.53 1.43 1.04 -1.54 0.00 0.00 175.55 174.95 1ufp n GLN 152 N 3.14 4.43 0.00 4.97 1.13 -1.26 -2.97 117.38 126.82 1ufp n GLN 152 Ca 0.07 -4.73 0.00 0.00 -1.94 0.00 0.00 57.00 50.40 1ufp n GLN 152 Cb 0.44 -2.38 0.00 0.00 0.11 0.00 0.00 30.24 28.41 1ufp n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03