#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mno s LEU 2 N 0.00 3.86 0.95 0.99 1.02 -1.26 -5.11 118.68 119.13 1mno s LEU 2 Ca 0.00 -0.10 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 1mno s LEU 2 Cb 0.00 -2.47 0.16 0.00 0.02 0.00 0.00 46.19 43.90 1mno s LEU 2 CO 0.00 0.07 1.12 -0.94 0.02 0.00 0.00 176.35 176.61 1mno s SER 3 N -3.11 3.09 0.20 2.29 1.04 -1.26 -4.85 113.70 111.09 1mno s SER 3 Ca 0.31 1.05 -0.09 0.00 0.48 0.00 0.00 55.95 57.71 1mno s SER 3 Cb -0.10 -1.67 0.12 0.00 0.10 0.00 0.00 66.02 64.47 1mno s SER 3 CO 0.24 -2.83 1.74 0.44 0.98 0.00 0.00 173.24 173.81 1mno h ASP 4 N -1.69 1.03 -0.15 7.02 3.32 -1.99 -1.44 116.42 122.52 1mno h ASP 4 Ca -0.52 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.37 1mno h ASP 4 Cb 1.33 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1mno h ASP 4 CO 0.60 0.96 -0.16 1.23 -1.72 0.00 0.00 179.24 180.14 1mno h GLY 5 N 1.05 -0.08 0.97 2.75 0.00 -1.99 -0.98 103.07 104.78 1mno h GLY 5 Ca 0.23 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1mno h GLY 5 CO -0.01 -0.16 0.21 0.83 0.00 0.00 0.00 176.54 177.41 1mno h GLU 6 N -0.19 0.54 -0.96 4.80 5.08 -1.86 -2.08 114.58 119.91 1mno h GLU 6 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mno h GLU 6 Cb 0.35 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1mno h GLU 6 CO -0.27 0.44 0.62 -1.49 -1.00 0.00 0.00 179.01 177.31 1mno h TRP 7 N 0.50 1.23 -0.60 4.33 4.06 -1.02 -0.59 115.95 123.86 1mno h TRP 7 Ca 0.14 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.05 1mno h TRP 7 Cb 0.06 -0.41 -0.03 0.00 -1.00 0.00 0.00 29.16 27.78 1mno h TRP 7 CO -0.03 0.79 0.14 0.37 -3.56 0.00 0.00 178.44 176.16 1mno h GLN 8 N 1.31 0.94 -0.61 0.49 5.75 -1.00 -0.11 115.11 121.89 1mno h GLN 8 Ca 0.35 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 1mno h GLN 8 Cb -0.12 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 1mno h GLN 8 CO -0.07 0.84 0.04 -0.07 -2.65 0.00 0.00 178.83 176.92 1mno h LEU 9 N 0.90 1.00 0.26 -2.39 3.38 -0.90 0.04 115.31 117.60 1mno h LEU 9 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1mno h LEU 9 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1mno h LEU 9 CO 0.00 1.03 -0.13 0.58 0.09 0.00 0.00 178.44 180.01 1mno h VAL 10 N 0.96 0.77 -0.03 1.22 2.07 -0.71 -2.06 116.25 118.47 1mno h VAL 10 Ca 0.18 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1mno h VAL 10 Cb 0.50 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1mno h VAL 10 CO 0.02 0.05 -0.21 -0.07 0.02 0.00 0.00 177.57 177.38 1mno h LEU 11 N -0.46 0.05 -0.16 2.57 3.38 -0.92 0.14 115.31 119.91 1mno h LEU 11 Ca -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1mno h LEU 11 Cb 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1mno h LEU 11 CO 0.06 0.26 0.06 -1.13 0.09 0.00 0.00 178.44 177.78 1mno h ASN 12 N 0.05 0.22 -0.70 -0.43 -1.24 -0.79 -2.25 115.58 110.43 1mno h ASN 12 Ca 0.01 -0.17 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 1mno h ASN 12 Cb 0.41 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 1mno h ASN 12 CO 0.03 0.33 0.27 0.58 -1.29 0.00 0.00 177.43 177.35 1mno h VAL 13 N 0.09 1.25 -0.06 2.57 2.07 -1.02 -2.95 116.25 118.19 1mno h VAL 13 Ca 0.05 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1mno h VAL 13 Cb 0.19 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1mno h VAL 13 CO -0.00 0.32 -0.30 -0.25 0.02 0.00 0.00 177.57 177.36 1mno h TRP 14 N 1.05 0.13 -1.10 1.57 2.91 -0.78 -1.27 115.95 118.46 1mno h TRP 14 Ca 0.24 -0.02 0.30 0.00 1.13 0.00 0.00 58.89 60.54 1mno h TRP 14 Cb 0.23 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 28.77 1mno h TRP 14 CO 0.02 0.40 0.74 0.78 -1.03 0.00 0.00 178.44 179.35 1mno h GLY 15 N 0.98 0.76 1.19 2.65 0.00 -1.22 0.16 103.07 107.59 1mno h GLY 15 Ca 0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 1mno h GLY 15 CO 0.04 -0.10 -0.61 0.50 0.00 0.00 0.00 176.54 176.37 1mno h LYS 16 N 0.23 0.83 -0.29 4.80 1.79 -1.34 -2.34 116.57 120.25 1mno h LYS 16 Ca 0.59 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1mno h LYS 16 Cb 1.83 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.55 1mno h LYS 16 CO -0.19 1.19 0.15 0.28 -1.08 0.00 0.00 179.45 179.80 1mno h VAL 17 N 0.62 1.13 0.00 0.50 2.07 -1.21 -3.05 116.25 116.31 1mno h VAL 17 Ca -0.00 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1mno h VAL 17 Cb 1.22 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1mno h VAL 17 CO 0.13 0.14 -0.00 -0.33 0.02 0.00 0.00 177.57 177.52 1mno h GLU 18 N 0.35 0.00 0.00 1.57 5.08 -0.38 0.86 114.58 122.06 1mno h GLU 18 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1mno h GLU 18 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1mno h GLU 18 CO -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1mno n ALA 19 N -2.15 2.29 -2.71 3.43 0.00 -0.91 -4.25 120.51 116.20 1mno n ALA 19 Ca -0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1mno n ALA 19 Cb 0.09 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.16 1mno n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mno n ASP 20 N -1.52 -2.18 -0.01 0.00 2.03 0.17 -5.04 116.55 109.99 1mno n ASP 20 Ca 0.07 -2.91 -0.10 0.00 0.52 0.00 0.00 54.79 52.37 1mno n ASP 20 Cb 0.33 1.55 -0.04 0.00 -0.72 0.00 0.00 41.12 42.23 1mno n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mno h VAL 21 N 2.29 0.88 -0.64 5.18 2.07 -1.37 -2.44 116.25 122.23 1mno h VAL 21 Ca -0.18 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1mno h VAL 21 Cb 1.11 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1mno h VAL 21 CO 0.12 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.90 1mno h ALA 22 N 1.12 1.12 -0.46 1.67 0.00 -1.90 0.18 119.26 120.99 1mno h ALA 22 Ca 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1mno h ALA 22 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1mno h ALA 22 CO -0.12 0.60 0.00 0.78 0.00 0.00 0.00 179.25 180.51 1mno h GLY 23 N 1.04 0.88 1.00 0.00 0.00 -1.91 0.37 103.07 104.44 1mno h GLY 23 Ca 0.21 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1mno h GLY 23 CO -0.01 0.59 0.24 0.45 0.00 0.00 0.00 176.54 177.82 1mno h HIS 24 N 0.66 0.93 -0.07 5.60 3.86 -1.25 -2.20 115.15 122.69 1mno h HIS 24 Ca 0.13 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1mno h HIS 24 Cb 0.50 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1mno h HIS 24 CO 0.04 0.74 0.04 0.78 0.86 0.00 0.00 177.93 180.39 1mno h GLY 25 N 0.85 0.09 0.58 2.45 0.00 -0.18 -1.37 103.07 105.48 1mno h GLY 25 Ca 0.20 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.56 1mno h GLY 25 CO -0.02 0.03 0.14 -1.61 0.00 0.00 0.00 176.54 175.08 1mno h GLN 26 N 0.09 0.29 -0.25 4.80 4.15 -0.88 -2.14 115.11 121.17 1mno h GLN 26 Ca 0.02 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 1mno h GLN 26 Cb -0.01 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1mno h GLN 26 CO -0.01 0.19 -0.15 0.93 -1.93 0.00 0.00 178.83 177.86 1mno h GLU 27 N 0.30 0.43 -0.49 1.69 5.08 -1.05 -1.16 114.58 119.37 1mno h GLU 27 Ca 0.20 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1mno h GLU 27 Cb 0.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1mno h GLU 27 CO -0.22 0.57 0.14 0.28 -1.00 0.00 0.00 179.01 178.78 1mno h VAL 28 N 0.39 1.23 -0.34 3.13 2.07 -1.00 -1.79 116.25 119.95 1mno h VAL 28 Ca 0.07 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1mno h VAL 28 Cb 0.50 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1mno h VAL 28 CO 0.03 0.29 -0.08 -0.07 0.02 0.00 0.00 177.57 177.76 1mno h LEU 29 N 0.67 0.66 -0.92 2.57 3.38 -1.13 0.11 115.31 120.65 1mno h LEU 29 Ca 0.16 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1mno h LEU 29 Cb 0.30 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1mno h LEU 29 CO -0.00 0.87 0.41 0.40 0.09 0.00 0.00 178.44 180.20 1mno h ILE 30 N 0.44 1.25 -0.42 1.22 2.04 -1.08 -0.84 117.51 120.12 1mno h ILE 30 Ca 0.09 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1mno h ILE 30 Cb 0.58 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1mno h ILE 30 CO 0.03 0.30 0.09 0.03 0.00 0.00 0.00 178.15 178.60 1mno h ARG 31 N 1.17 0.68 0.60 2.37 2.47 -1.16 0.12 114.38 120.63 1mno h ARG 31 Ca 0.29 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1mno h ARG 31 Cb 0.10 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1mno h ARG 31 CO -0.04 0.70 -0.41 1.25 0.56 0.00 0.00 179.97 182.04 1mno h LEU 32 N 0.54 -1.04 -1.94 3.04 5.85 -0.47 0.72 115.31 122.00 1mno h LEU 32 Ca 0.13 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1mno h LEU 32 Cb 0.34 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1mno h LEU 32 CO 0.00 -0.61 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.17 1mno h PHE 33 N -0.96 0.00 0.09 1.25 0.04 -1.10 -0.01 116.94 116.25 1mno h PHE 33 Ca -0.07 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.39 1mno h PHE 33 Cb 0.79 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1mno h PHE 33 CO -0.13 0.06 -1.60 0.87 -0.60 0.00 0.00 178.31 176.91 1mno h LYS 34 N 0.00 0.19 0.00 1.51 1.79 -0.58 -3.08 116.57 116.40 1mno h LYS 34 Ca -0.00 -0.32 -0.22 0.00 -2.18 0.00 0.00 60.65 57.93 1mno h LYS 34 Cb 0.12 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1mno h LYS 34 CO 0.01 1.00 -1.06 0.78 -1.08 0.00 0.00 179.45 179.09 1mno h GLY 35 N 2.04 0.00 -6.41 3.86 0.00 -0.66 -3.39 103.07 98.50 1mno h GLY 35 Ca -0.26 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.48 1mno h GLY 35 CO 0.13 0.00 -0.94 1.42 0.00 0.00 0.00 176.54 177.16 1mno n HIS 36 N -3.32 -0.32 -0.24 5.60 8.25 -0.03 -5.01 115.22 120.14 1mno n HIS 36 Ca -0.02 -3.46 0.22 0.00 -0.26 0.00 0.00 57.72 54.21 1mno n HIS 36 Cb 0.95 0.10 0.57 0.00 1.12 0.00 0.00 29.99 32.72 1mno n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mno h PRO 37 N 5.44 0.29 0.00 -0.41 0.11 -1.74 0.26 132.00 135.95 1mno h PRO 37 Ca 0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1mno h PRO 37 Cb 0.88 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1mno h PRO 37 CO 0.43 0.19 -0.07 1.05 -0.21 0.00 0.00 178.00 179.39 1mno h GLU 38 N 0.30 0.00 0.00 1.05 9.09 -1.93 -2.50 114.58 120.59 1mno h GLU 38 Ca 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.85 1mno h GLU 38 Cb 1.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.45 1mno h GLU 38 CO -0.15 0.07 -0.17 1.79 0.05 0.00 0.00 179.01 180.61 1mno h THR 39 N 0.00 0.82 -0.32 -1.06 1.35 -1.27 -2.73 112.91 109.71 1mno h THR 39 Ca -0.00 -0.64 0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1mno h THR 39 Cb 0.21 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1mno h THR 39 CO 0.01 0.16 0.21 0.25 -0.25 0.00 0.00 175.52 175.90 1mno h LEU 40 N 0.00 0.27 -2.64 3.87 5.85 -1.61 -1.78 115.31 119.26 1mno h LEU 40 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1mno h LEU 40 Cb 0.36 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1mno h LEU 40 CO 0.02 0.19 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.97 1mno h GLU 41 N 0.31 0.00 0.00 1.25 5.08 -1.65 0.10 114.58 119.68 1mno h GLU 41 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1mno h GLU 41 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1mno h GLU 41 CO -0.03 0.01 -0.01 1.63 -1.00 0.00 0.00 179.01 179.61 1mno n LYS 42 N -3.17 0.03 -3.61 2.33 4.76 -0.67 -4.53 118.16 113.31 1mno n LYS 42 Ca -0.02 0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1mno n LYS 42 Cb 0.12 -1.53 -0.09 0.00 -1.84 0.00 0.00 35.03 31.68 1mno n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mno s PHE 43 N -3.01 3.43 0.32 2.13 0.40 0.35 -4.94 117.98 116.66 1mno s PHE 43 Ca 0.14 -1.88 0.01 0.00 -0.60 0.00 0.00 56.93 54.60 1mno s PHE 43 Cb 0.18 -3.31 0.54 0.00 0.51 0.00 0.00 43.02 40.94 1mno s PHE 43 CO 0.54 -0.95 1.93 -0.44 0.70 0.00 0.00 175.22 176.99 1mno h ASP 44 N 8.37 0.73 0.39 1.36 3.32 -1.82 -0.39 116.42 128.38 1mno h ASP 44 Ca -0.20 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1mno h ASP 44 Cb 1.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1mno h ASP 44 CO 0.81 0.62 -0.09 0.11 -1.72 0.00 0.00 179.24 178.97 1mno h LYS 45 N 0.81 0.00 -0.44 3.56 1.57 -1.94 -3.18 116.57 116.95 1mno h LYS 45 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1mno h LYS 45 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1mno h LYS 45 CO -0.03 0.09 0.00 1.19 -0.57 0.00 0.00 179.45 180.13 1mno n PHE 46 N -3.52 0.58 0.32 -1.35 3.72 -0.17 -4.66 117.46 112.38 1mno n PHE 46 Ca -0.02 -0.45 0.15 0.00 -0.05 0.00 0.00 57.45 57.09 1mno n PHE 46 Cb 0.22 -0.02 0.67 0.00 -0.94 0.00 0.00 39.48 39.41 1mno n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mno h LYS 47 N 2.85 0.00 -0.01 -1.08 1.57 -1.51 -2.27 116.57 116.13 1mno h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mno h LYS 47 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1mno h LYS 47 CO 0.00 0.00 -0.18 -2.39 -0.57 0.00 0.00 179.45 176.31 1mno n HIS 48 N -2.63 0.00 -2.76 -1.35 1.44 -1.26 -4.77 115.22 103.89 1mno n HIS 48 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.29 1mno n HIS 48 Cb 0.21 -0.14 -0.04 0.00 0.12 0.00 0.00 29.99 30.14 1mno n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mno s LEU 49 N -2.46 3.91 0.00 2.39 1.43 -0.86 -4.89 118.68 118.20 1mno s LEU 49 Ca 0.27 -0.29 0.25 0.00 -1.03 0.00 0.00 54.13 53.32 1mno s LEU 49 Cb 0.20 -2.86 0.49 0.00 0.03 0.00 0.00 46.19 44.04 1mno s LEU 49 CO 0.49 -1.34 1.40 0.29 0.23 0.00 0.00 176.35 177.42 1mno n LYS 50 N 7.83 0.86 -3.74 1.70 4.76 -1.26 -4.90 118.16 123.42 1mno n LYS 50 Ca 0.03 -0.59 -0.10 0.00 -2.87 0.00 0.00 58.31 54.78 1mno n LYS 50 Cb 0.48 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 1mno n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mno s SER 51 N -2.54 -0.16 0.23 4.39 1.04 -1.26 -5.02 113.70 110.38 1mno s SER 51 Ca 0.21 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 56.10 1mno s SER 51 Cb 0.19 0.48 0.31 0.00 0.10 0.00 0.00 66.02 67.11 1mno s SER 51 CO 0.56 -0.90 1.84 -0.08 0.98 0.00 0.00 173.24 175.63 1mno h GLU 52 N 2.38 0.85 -0.34 4.02 4.81 -1.99 0.13 114.58 124.44 1mno h GLU 52 Ca -0.32 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1mno h GLU 52 Cb 1.25 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1mno h GLU 52 CO 0.45 0.57 0.08 -0.44 -0.73 0.00 0.00 179.01 178.93 1mno h ASP 53 N 0.88 0.46 -0.38 1.04 3.32 -1.99 0.98 116.42 120.73 1mno h ASP 53 Ca 0.36 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 1mno h ASP 53 Cb 0.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1mno h ASP 53 CO -0.18 0.47 0.08 -0.33 -1.72 0.00 0.00 179.24 177.56 1mno h GLU 54 N 0.50 0.62 -0.45 3.56 5.08 -1.64 -1.88 114.58 120.37 1mno h GLU 54 Ca 0.12 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1mno h GLU 54 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1mno h GLU 54 CO -0.00 0.66 0.06 0.52 -1.00 0.00 0.00 179.01 179.25 1mno h MET 55 N 0.47 0.70 0.00 2.33 2.86 -0.46 -2.40 114.93 118.42 1mno h MET 55 Ca 0.12 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1mno h MET 55 Cb 0.33 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1mno h MET 55 CO 0.00 0.68 -0.22 0.87 1.06 0.00 0.00 176.91 179.30 1mno h LYS 56 N 0.67 0.00 0.00 1.72 1.57 -0.51 -2.77 116.57 117.25 1mno h LYS 56 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1mno h LYS 56 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1mno h LYS 56 CO 0.01 0.22 -0.60 0.00 -0.57 0.00 0.00 179.45 178.50 1mno h ALA 57 N 1.78 0.60 -2.02 3.86 0.00 -1.04 -3.46 119.26 118.98 1mno h ALA 57 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1mno h ALA 57 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1mno h ALA 57 CO 0.03 0.00 1.09 0.45 0.00 0.00 0.00 179.25 180.82 1mno s SER 58 N -4.26 6.44 0.11 0.00 0.15 -0.93 -4.89 113.70 110.31 1mno s SER 58 Ca 0.06 1.54 -0.24 0.00 0.70 0.00 0.00 55.95 58.02 1mno s SER 58 Cb 0.13 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 1mno s SER 58 CO 0.72 -1.22 1.69 -0.08 1.20 0.00 0.00 173.24 175.54 1mno h GLU 59 N 10.42 -0.22 -0.94 5.44 4.81 -1.89 -2.51 114.58 129.69 1mno h GLU 59 Ca -0.32 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1mno h GLU 59 Cb 1.14 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1mno h GLU 59 CO 1.01 -0.14 0.61 -0.44 -0.73 0.00 0.00 179.01 179.32 1mno h ASP 60 N -0.22 0.99 -0.43 1.04 5.19 -1.97 -1.21 116.42 119.79 1mno h ASP 60 Ca 0.04 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 1mno h ASP 60 Cb 0.27 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1mno h ASP 60 CO -0.11 0.65 -0.04 0.25 -3.12 0.00 0.00 179.24 176.87 1mno h LEU 61 N 1.13 0.79 -0.73 1.55 6.46 -1.85 -0.39 115.31 122.27 1mno h LEU 61 Ca 0.39 -0.33 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1mno h LEU 61 Cb 0.11 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 1mno h LEU 61 CO -0.14 0.94 -0.03 0.50 -0.62 0.00 0.00 178.44 179.08 1mno h LYS 62 N 0.63 0.93 -0.46 1.25 3.64 -1.05 -0.51 116.57 121.01 1mno h LYS 62 Ca 0.12 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 1mno h LYS 62 Cb 0.56 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1mno h LYS 62 CO 0.03 0.94 -0.01 0.87 -2.27 0.00 0.00 179.45 179.02 1mno h LYS 63 N 0.85 0.81 -0.54 1.90 1.57 -1.01 -1.63 116.57 118.52 1mno h LYS 63 Ca 0.15 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1mno h LYS 63 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1mno h LYS 63 CO 0.03 0.87 0.09 1.25 -0.57 0.00 0.00 179.45 181.13 1mno h HIS 64 N 0.66 0.95 -0.59 -1.35 2.76 -0.74 -0.83 115.15 116.00 1mno h HIS 64 Ca 0.13 -0.13 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1mno h HIS 64 Cb 0.51 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 29.16 1mno h HIS 64 CO 0.04 0.84 0.28 0.78 -1.30 0.00 0.00 177.93 178.57 1mno h GLY 65 N 0.78 0.84 0.83 5.26 0.00 -0.82 -0.69 103.07 109.27 1mno h GLY 65 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1mno h GLY 65 CO 0.01 0.08 -0.04 -0.57 0.00 0.00 0.00 176.54 176.02 1mno h ASN 66 N 0.52 -0.13 -0.48 0.19 -0.73 -1.03 -1.29 115.58 112.63 1mno h ASN 66 Ca 0.28 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.51 1mno h ASN 66 Cb 0.24 0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.85 1mno h ASN 66 CO -0.22 -0.06 0.25 0.74 -0.37 0.00 0.00 177.43 177.77 1mno h THR 67 N -0.05 0.97 0.70 -3.57 2.02 -0.80 0.61 112.91 112.78 1mno h THR 67 Ca 0.03 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1mno h THR 67 Cb 0.10 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1mno h THR 67 CO -0.08 0.09 -0.36 -1.13 0.37 0.00 0.00 175.52 174.41 1mno h ASN 68 N 0.49 -0.88 0.48 4.18 -0.73 -1.03 -2.24 115.58 115.86 1mno h ASN 68 Ca 0.21 0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.30 1mno h ASN 68 Cb 0.11 0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 1mno h ASN 68 CO -0.14 -0.60 -0.53 -0.07 -0.37 0.00 0.00 177.43 175.72 1mno h LEU 69 N -0.97 0.07 -0.41 0.34 3.38 -1.17 -1.91 115.31 114.63 1mno h LEU 69 Ca -0.09 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1mno h LEU 69 Cb 0.76 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1mno h LEU 69 CO 0.14 0.59 0.13 0.74 0.09 0.00 0.00 178.44 180.12 1mno h THR 70 N 0.05 0.85 -0.61 0.22 2.02 -0.79 -1.02 112.91 113.63 1mno h THR 70 Ca -0.00 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1mno h THR 70 Cb 0.96 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1mno h THR 70 CO 0.07 0.05 0.01 0.00 0.37 0.00 0.00 175.52 176.03 1mno h ALA 71 N 1.28 0.82 -0.66 6.16 0.00 -0.91 -1.81 119.26 124.13 1mno h ALA 71 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1mno h ALA 71 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mno h ALA 71 CO -0.21 0.65 0.31 1.25 0.00 0.00 0.00 179.25 181.25 1mno h LEU 72 N 0.97 0.88 -0.87 0.00 5.85 -1.23 -2.46 115.31 118.45 1mno h LEU 72 Ca 0.17 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1mno h LEU 72 Cb 0.54 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1mno h LEU 72 CO 0.03 0.78 0.55 1.23 -0.34 0.00 0.00 178.44 180.68 1mno h GLY 73 N 0.92 1.25 1.04 3.75 0.00 -1.03 0.14 103.07 109.14 1mno h GLY 73 Ca 0.23 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1mno h GLY 73 CO -0.03 0.48 0.36 -1.33 0.00 0.00 0.00 176.54 176.03 1mno h GLY 74 N 1.19 1.25 0.94 4.60 0.00 -1.04 -1.32 103.07 108.69 1mno h GLY 74 Ca 0.31 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1mno h GLY 74 CO -0.06 0.61 -0.13 -2.22 0.00 0.00 0.00 176.54 174.74 1mno h ILE 75 N 1.14 0.76 -0.99 2.60 2.04 -0.97 -3.20 117.51 118.89 1mno h ILE 75 Ca 0.27 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1mno h ILE 75 Cb 0.16 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1mno h ILE 75 CO -0.03 0.03 0.66 -0.07 0.00 0.00 0.00 178.15 178.74 1mno h LEU 76 N -0.42 1.13 -1.98 1.44 3.38 -0.56 -1.11 115.31 117.19 1mno h LEU 76 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1mno h LEU 76 Cb 0.32 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1mno h LEU 76 CO 0.06 0.82 0.00 0.11 0.09 0.00 0.00 178.44 179.52 1mno h LYS 77 N 1.34 0.00 -0.01 1.13 1.57 -1.26 0.44 116.57 119.78 1mno h LYS 77 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1mno h LYS 77 Cb -0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1mno h LYS 77 CO -0.08 0.00 -0.04 1.63 -0.57 0.00 0.00 179.45 180.39 1mno n LYS 78 N -2.77 1.38 0.00 3.15 4.76 -0.42 -4.98 118.16 119.28 1mno n LYS 78 Ca -0.01 -0.69 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1mno n LYS 78 Cb 0.13 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1mno n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mno n LYS 79 N -0.20 0.00 0.00 1.97 5.02 0.14 -1.72 118.16 123.37 1mno n LYS 79 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1mno n LYS 79 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1mno n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mno n GLY 80 N 0.00 1.02 2.71 0.72 0.00 -1.26 -4.32 105.19 104.06 1mno n GLY 80 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1mno n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mno n HIS 81 N 0.66 -3.03 -1.32 1.61 8.25 -0.70 -4.94 115.22 115.76 1mno n HIS 81 Ca 0.00 -1.97 0.08 0.00 -0.26 0.00 0.00 57.72 55.57 1mno n HIS 81 Cb 0.25 1.46 0.16 0.00 1.12 0.00 0.00 29.99 32.98 1mno n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mno n HIS 82 N 1.26 0.00 -0.10 4.41 1.44 -1.26 -4.76 115.22 116.21 1mno n HIS 82 Ca 0.09 -1.14 -0.00 0.00 -2.01 0.00 0.00 57.72 54.66 1mno n HIS 82 Cb 0.65 -0.18 0.27 0.00 0.12 0.00 0.00 29.99 30.84 1mno n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1mno h GLU 83 N 0.38 0.76 -0.47 -1.40 3.07 -1.96 0.20 114.58 115.16 1mno h GLU 83 Ca -0.00 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1mno h GLU 83 Cb 1.03 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 1mno h GLU 83 CO 0.00 0.61 0.12 0.00 -1.40 0.00 0.00 179.01 178.34 1mno h ALA 84 N 1.50 0.62 -0.17 3.43 0.00 -2.02 -1.47 119.26 121.15 1mno h ALA 84 Ca 0.18 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1mno h ALA 84 Cb 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mno h ALA 84 CO -0.02 0.30 -0.57 0.93 0.00 0.00 0.00 179.25 179.89 1mno h GLU 85 N 0.63 0.69 -0.21 0.00 3.07 -1.83 -3.35 114.58 113.58 1mno h GLU 85 Ca 0.15 -0.51 -0.21 0.00 -0.50 0.00 0.00 59.36 58.29 1mno h GLU 85 Cb 0.32 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1mno h GLU 85 CO 0.00 1.13 -0.68 1.25 -1.40 0.00 0.00 179.01 179.31 1mno h LEU 86 N 0.38 0.95 -0.10 1.33 6.46 -0.53 -3.35 115.31 120.46 1mno h LEU 86 Ca -0.02 -0.58 0.04 0.00 -0.12 0.00 0.00 57.88 57.20 1mno h LEU 86 Cb 1.19 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 1mno h LEU 86 CO 0.12 1.38 -0.44 0.74 -0.62 0.00 0.00 178.44 179.62 1mno h THR 87 N 0.59 0.12 -0.12 1.05 2.02 -1.40 -0.45 112.91 114.73 1mno h THR 87 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1mno h THR 87 Cb 1.30 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1mno h THR 87 CO 0.14 0.00 0.09 -0.65 0.37 0.00 0.00 175.52 175.47 1mno h PRO 88 N -0.53 0.00 -0.06 6.66 0.11 -1.76 -1.75 132.00 134.68 1mno h PRO 88 Ca 0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 1mno h PRO 88 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1mno h PRO 88 CO -0.38 0.00 -0.27 1.25 -0.21 0.00 0.00 178.00 178.39 1mno h LEU 89 N 0.00 0.34 -1.01 2.35 5.85 -1.48 -2.12 115.31 119.24 1mno h LEU 89 Ca 0.06 -0.64 0.05 0.00 0.84 0.00 0.00 57.88 58.18 1mno h LEU 89 Cb 0.23 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1mno h LEU 89 CO -0.00 0.93 0.66 0.00 -0.34 0.00 0.00 178.44 179.68 1mno h ALA 90 N 0.42 1.36 -0.06 1.25 0.00 -0.56 -0.25 119.26 121.43 1mno h ALA 90 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mno h ALA 90 Cb 0.92 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1mno h ALA 90 CO 0.06 0.51 0.02 1.96 0.00 0.00 0.00 179.25 181.80 1mno h GLN 91 N 1.24 0.04 -0.21 0.00 4.20 -1.16 0.46 115.11 119.67 1mno h GLN 91 Ca 0.42 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.96 1mno h GLN 91 Cb 0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1mno h GLN 91 CO -0.15 0.03 -0.54 0.66 -0.67 0.00 0.00 178.83 178.17 1mno h SER 92 N 0.05 0.69 0.64 1.46 4.64 -1.22 -2.44 113.55 117.36 1mno h SER 92 Ca 0.02 -0.37 -0.12 0.00 -0.47 0.00 0.00 61.79 60.85 1mno h SER 92 Cb 0.01 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1mno h SER 92 CO -0.03 1.10 -0.59 0.45 -0.87 0.00 0.00 176.83 176.89 1mno h HIS 93 N 0.48 0.00 0.12 4.77 3.86 -0.73 0.26 115.15 123.91 1mno h HIS 93 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1mno h HIS 93 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1mno h HIS 93 CO 0.05 0.59 -0.06 0.00 0.86 0.00 0.00 177.93 179.37 1mno h ALA 94 N 1.41 -0.16 0.00 2.45 0.00 0.09 -0.45 119.26 122.60 1mno h ALA 94 Ca -0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1mno h ALA 94 Cb 1.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1mno h ALA 94 CO 0.08 -0.36 -1.28 2.41 0.00 0.00 0.00 179.25 180.10 1mno n THR 95 N -4.95 1.51 -0.02 0.00 -1.04 -0.93 -3.56 114.28 105.28 1mno n THR 95 Ca -0.09 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.80 1mno n THR 95 Cb 0.25 -2.11 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 1mno n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1mno h LYS 96 N -1.00 -0.07 0.00 -2.82 3.64 -1.47 -3.39 116.57 111.46 1mno h LYS 96 Ca -0.31 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.90 1mno h LYS 96 Cb 1.16 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1mno h LYS 96 CO -0.19 0.54 -1.25 0.45 -2.27 0.00 0.00 179.45 176.73 1mno h HIS 97 N -0.90 0.00 -5.23 1.91 3.86 -0.67 -3.49 115.15 110.63 1mno h HIS 97 Ca -0.01 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 1mno h HIS 97 Cb 0.64 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.28 1mno h HIS 97 CO 0.15 0.66 -0.75 1.63 0.86 0.00 0.00 177.93 180.48 1mno n LYS 98 N -3.01 -2.01 -3.52 2.45 5.02 -0.53 -4.99 118.16 111.57 1mno n LYS 98 Ca -0.08 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.62 1mno n LYS 98 Cb 0.86 -5.45 -0.10 0.00 -0.02 0.00 0.00 35.03 30.31 1mno n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mno s ILE 99 N -3.34 5.19 0.80 -0.18 -1.09 -0.29 -5.04 121.20 117.25 1mno s ILE 99 Ca 0.40 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 1mno s ILE 99 Cb -0.05 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.16 1mno s ILE 99 CO 0.67 -0.10 1.10 -2.16 -1.23 0.00 0.00 174.94 173.22 1mno s PRO 100 N 1.69 2.03 0.44 2.79 0.04 -1.26 -4.83 135.00 135.90 1mno s PRO 100 Ca 0.05 1.19 0.12 0.00 0.04 0.00 0.00 61.00 62.40 1mno s PRO 100 Cb -0.18 -1.87 0.98 0.00 0.04 0.00 0.00 34.50 33.47 1mno s PRO 100 CO 0.10 -1.81 2.03 0.28 0.04 0.00 0.00 177.00 177.65 1mno h VAL 101 N -1.25 1.10 -0.53 -0.36 2.07 -1.93 -1.57 116.25 113.78 1mno h VAL 101 Ca -0.44 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1mno h VAL 101 Cb 1.24 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1mno h VAL 101 CO 0.50 0.12 0.27 0.07 0.02 0.00 0.00 177.57 178.55 1mno h LYS 102 N 0.21 0.74 -0.05 1.57 2.10 -1.91 -0.91 116.57 118.30 1mno h LYS 102 Ca 0.05 -0.08 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1mno h LYS 102 Cb 0.14 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1mno h LYS 102 CO 0.00 0.56 -0.73 1.88 -2.00 0.00 0.00 179.45 179.17 1mno h TYR 103 N 0.74 0.38 -0.28 0.07 -1.99 -1.64 -1.16 116.97 113.09 1mno h TYR 103 Ca 0.19 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1mno h TYR 103 Cb 0.06 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1mno h TYR 103 CO 0.01 0.91 0.02 -0.07 -0.00 0.00 0.00 178.16 179.02 1mno h LEU 104 N 0.19 0.38 -0.29 3.88 3.38 -1.02 -0.97 115.31 120.86 1mno h LEU 104 Ca -0.03 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1mno h LEU 104 Cb 1.29 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1mno h LEU 104 CO 0.12 0.43 -0.30 -0.33 0.09 0.00 0.00 178.44 178.45 1mno h GLU 105 N 0.41 0.72 -0.61 1.13 5.08 -0.91 -1.01 114.58 119.39 1mno h GLU 105 Ca 0.09 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1mno h GLU 105 Cb 0.24 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1mno h GLU 105 CO 0.00 1.00 0.39 0.74 -1.00 0.00 0.00 179.01 180.14 1mno h PHE 106 N 0.47 0.73 -0.16 4.33 0.04 -0.88 -1.43 116.94 120.04 1mno h PHE 106 Ca 0.05 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.69 1mno h PHE 106 Cb 0.87 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1mno h PHE 106 CO 0.07 0.45 -0.53 0.97 -0.60 0.00 0.00 178.31 178.66 1mno h ILE 107 N 0.78 1.33 -0.38 -0.55 2.10 -1.08 -1.60 117.51 118.13 1mno h ILE 107 Ca 0.23 -1.79 0.05 0.00 1.08 0.00 0.00 64.86 64.43 1mno h ILE 107 Cb -0.05 1.80 -0.04 0.00 -1.09 0.00 0.00 36.82 37.43 1mno h ILE 107 CO -0.07 0.55 0.12 0.28 -1.08 0.00 0.00 178.15 177.95 1mno h SER 108 N 0.35 0.11 -0.79 2.19 0.02 -0.93 -0.06 113.55 114.45 1mno h SER 108 Ca 0.01 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1mno h SER 108 Cb 1.05 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1mno h SER 108 CO 0.09 0.10 0.52 -0.33 -1.14 0.00 0.00 176.83 176.08 1mno h GLU 109 N 0.27 1.04 -0.67 3.45 5.08 -1.03 -2.08 114.58 120.63 1mno h GLU 109 Ca 0.17 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1mno h GLU 109 Cb 0.16 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1mno h GLU 109 CO -0.19 0.69 0.17 0.00 -1.00 0.00 0.00 179.01 178.68 1mno h ALA 110 N 1.29 0.89 0.01 3.43 0.00 -0.63 0.40 119.26 124.66 1mno h ALA 110 Ca 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1mno h ALA 110 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1mno h ALA 110 CO -0.06 0.61 -0.09 0.82 0.00 0.00 0.00 179.25 180.52 1mno h ILE 111 N 1.01 0.76 -0.36 0.00 2.04 -0.76 0.39 117.51 120.59 1mno h ILE 111 Ca 0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 1mno h ILE 111 Cb 0.36 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1mno h ILE 111 CO 0.00 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.65 1mno h ILE 112 N -0.17 0.86 -0.67 -0.67 2.04 -1.11 -1.69 117.51 116.10 1mno h ILE 112 Ca 0.03 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1mno h ILE 112 Cb 0.21 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1mno h ILE 112 CO -0.09 0.04 0.40 1.56 0.00 0.00 0.00 178.15 180.07 1mno h GLN 113 N 0.23 0.92 -0.63 2.37 4.20 -0.45 -0.65 115.11 121.10 1mno h GLN 113 Ca 0.17 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1mno h GLN 113 Cb 0.17 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1mno h GLN 113 CO -0.19 0.66 0.26 0.28 -0.67 0.00 0.00 178.83 179.16 1mno h VAL 114 N 0.92 1.23 -0.11 -0.54 2.07 -0.68 -0.87 116.25 118.27 1mno h VAL 114 Ca 0.24 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1mno h VAL 114 Cb -0.02 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1mno h VAL 114 CO -0.04 0.28 0.03 -0.07 0.02 0.00 0.00 177.57 177.79 1mno h LEU 115 N 0.88 0.02 -0.64 2.57 3.38 -0.92 0.21 115.31 120.80 1mno h LEU 115 Ca 0.21 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1mno h LEU 115 Cb 0.20 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1mno h LEU 115 CO -0.02 0.03 0.32 -0.61 0.09 0.00 0.00 178.44 178.25 1mno h GLN 116 N 0.08 0.91 -0.15 1.13 5.75 -0.99 0.16 115.11 122.00 1mno h GLN 116 Ca 0.05 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1mno h GLN 116 Cb 0.04 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1mno h GLN 116 CO -0.06 0.72 -0.01 1.03 -2.65 0.00 0.00 178.83 177.85 1mno h SER 117 N 0.88 0.27 0.99 -0.69 0.87 -0.95 -3.13 113.55 111.79 1mno h SER 117 Ca 0.22 -0.33 -0.20 0.00 -1.23 0.00 0.00 61.79 60.26 1mno h SER 117 Cb 0.09 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1mno h SER 117 CO -0.03 0.54 -1.06 0.11 -0.53 0.00 0.00 176.83 175.85 1mno h LYS 118 N 0.00 0.00 -1.27 2.24 1.57 -0.57 -3.41 116.57 115.13 1mno h LYS 118 Ca 0.04 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.43 1mno h LYS 118 Cb 0.40 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.32 1mno h LYS 118 CO 0.01 0.73 -1.16 0.72 -0.57 0.00 0.00 179.45 179.17 1mno n HIS 119 N -3.22 0.68 -0.20 -1.35 8.25 0.55 -4.96 115.22 114.96 1mno n HIS 119 Ca -0.04 -3.08 -0.02 0.00 -0.26 0.00 0.00 57.72 54.32 1mno n HIS 119 Cb 0.91 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 31.75 1mno n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mno h PRO 120 N 2.97 -0.07 -0.87 -0.41 0.10 -1.66 0.30 132.00 132.36 1mno h PRO 120 Ca -0.04 0.00 0.14 0.00 0.10 0.00 0.00 66.00 66.20 1mno h PRO 120 Cb 1.12 0.02 -0.07 0.00 0.10 0.00 0.00 31.00 32.17 1mno h PRO 120 CO 0.48 -0.05 0.56 0.78 0.10 0.00 0.00 178.00 179.87 1mno h GLY 121 N -0.07 1.14 -1.36 -0.55 0.00 -1.92 0.64 103.07 100.95 1mno h GLY 121 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1mno h GLY 121 CO -0.65 0.10 -0.17 1.22 0.00 0.00 0.00 176.54 177.04 1mno n ASP 122 N -4.55 2.43 -3.17 0.19 8.00 -0.26 -4.51 116.55 114.69 1mno n ASP 122 Ca 0.17 -1.73 -0.29 0.00 0.71 0.00 0.00 54.79 53.64 1mno n ASP 122 Cb 0.45 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1mno n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mno n PHE 123 N 0.68 3.78 -0.13 1.24 7.35 0.22 -4.85 117.46 125.76 1mno n PHE 123 Ca 0.13 -3.87 0.00 0.00 -0.76 0.00 0.00 57.45 52.95 1mno n PHE 123 Cb 0.52 -0.60 0.00 0.00 0.35 0.00 0.00 39.48 39.75 1mno n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mno n GLY 124 N 0.14 -1.24 0.06 7.13 0.00 -1.22 -4.59 105.19 105.47 1mno n GLY 124 Ca 0.32 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1mno n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mno h ALA 125 N -2.00 0.07 -0.37 4.61 0.00 -1.97 -1.06 119.26 118.54 1mno h ALA 125 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1mno h ALA 125 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1mno h ALA 125 CO 0.00 -0.41 0.12 -0.44 0.00 0.00 0.00 179.25 178.51 1mno h ASP 126 N 0.04 0.54 -0.70 0.00 3.32 -1.99 -1.32 116.42 116.30 1mno h ASP 126 Ca 0.02 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1mno h ASP 126 Cb 0.03 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1mno h ASP 126 CO -0.00 0.60 0.46 0.00 -1.72 0.00 0.00 179.24 178.57 1mno h ALA 127 N 0.96 0.89 -0.42 3.45 0.00 -1.87 -0.61 119.26 121.66 1mno h ALA 127 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1mno h ALA 127 Cb 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1mno h ALA 127 CO -0.00 0.30 0.20 0.37 0.00 0.00 0.00 179.25 180.12 1mno h GLN 128 N 0.94 0.40 -0.56 0.00 4.15 -1.00 -0.26 115.11 118.78 1mno h GLN 128 Ca 0.26 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1mno h GLN 128 Cb -0.10 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 1mno h GLN 128 CO -0.06 0.26 0.28 0.78 -1.93 0.00 0.00 178.83 178.17 1mno h GLY 129 N 0.41 0.85 0.93 2.39 0.00 -0.89 -1.32 103.07 105.45 1mno h GLY 129 Ca 0.18 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1mno h GLY 129 CO -0.14 0.39 0.07 0.00 0.00 0.00 0.00 176.54 176.86 1mno h ALA 130 N 1.12 0.53 -0.55 3.60 0.00 -0.93 -1.74 119.26 121.27 1mno h ALA 130 Ca 0.19 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1mno h ALA 130 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1mno h ALA 130 CO -0.03 0.24 0.01 1.98 0.00 0.00 0.00 179.25 181.45 1mno h MET 131 N 0.50 0.94 -0.30 0.00 -1.53 -0.80 -1.29 114.93 112.46 1mno h MET 131 Ca 0.12 -0.27 0.03 0.00 -3.44 0.00 0.00 59.70 56.14 1mno h MET 131 Cb 0.37 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.29 1mno h MET 131 CO 0.01 0.93 0.11 1.03 0.14 0.00 0.00 176.91 179.13 1mno h SER 132 N 0.87 0.14 -0.98 1.39 0.87 -1.15 -0.79 113.55 113.89 1mno h SER 132 Ca 0.16 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1mno h SER 132 Cb 0.50 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 1mno h SER 132 CO 0.02 0.11 0.65 0.11 -0.53 0.00 0.00 176.83 177.20 1mno h LYS 133 N 0.25 1.28 -0.37 2.24 1.57 -0.90 0.07 116.57 120.70 1mno h LYS 133 Ca 0.13 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1mno h LYS 133 Cb 0.09 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1mno h LYS 133 CO -0.13 0.85 0.16 0.00 -0.57 0.00 0.00 179.45 179.75 1mno h ALA 134 N 1.37 0.48 -0.33 3.86 0.00 -0.67 -0.26 119.26 123.71 1mno h ALA 134 Ca 0.37 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1mno h ALA 134 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1mno h ALA 134 CO -0.09 0.08 -0.32 -0.07 0.00 0.00 0.00 179.25 178.84 1mno h LEU 135 N 0.46 0.76 -0.55 0.00 3.38 -0.98 -1.63 115.31 116.74 1mno h LEU 135 Ca 0.12 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1mno h LEU 135 Cb 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1mno h LEU 135 CO -0.01 1.03 0.29 -0.08 0.09 0.00 0.00 178.44 179.76 1mno h GLU 136 N 0.62 0.78 -0.48 1.13 4.81 -0.80 0.23 114.58 120.87 1mno h GLU 136 Ca 0.07 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1mno h GLU 136 Cb 0.85 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1mno h GLU 136 CO 0.07 0.61 0.24 1.25 -0.73 0.00 0.00 179.01 180.46 1mno h LEU 137 N 0.74 0.62 -0.18 1.64 5.85 -0.75 -0.01 115.31 123.23 1mno h LEU 137 Ca 0.19 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1mno h LEU 137 Cb 0.06 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1mno h LEU 137 CO -0.03 0.56 -0.11 0.15 -0.34 0.00 0.00 178.44 178.67 1mno h PHE 138 N 0.64 -0.26 -0.51 1.25 3.57 -1.08 -1.27 116.94 119.28 1mno h PHE 138 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1mno h PHE 138 Cb 0.09 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1mno h PHE 138 CO -0.01 -0.16 0.27 0.00 -2.23 0.00 0.00 178.31 176.17 1mno h ARG 139 N -0.10 0.71 -0.32 1.11 3.08 -0.72 -1.51 114.38 116.63 1mno h ARG 139 Ca 0.10 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1mno h ARG 139 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1mno h ARG 139 CO -0.24 0.57 0.20 -0.91 -1.07 0.00 0.00 179.97 178.52 1mno h ASN 140 N 0.67 0.38 0.32 7.04 -0.26 -0.70 -0.62 115.58 122.42 1mno h ASN 140 Ca 0.18 -0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.79 1mno h ASN 140 Cb 0.07 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1mno h ASN 140 CO -0.03 0.31 -0.38 0.44 -1.06 0.00 0.00 177.43 176.71 1mno h ASP 141 N 0.43 0.09 -0.31 5.81 3.32 -1.09 0.17 116.42 124.84 1mno h ASP 141 Ca 0.12 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1mno h ASP 141 Cb -0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1mno h ASP 141 CO -0.02 0.47 -0.25 0.24 -1.72 0.00 0.00 179.24 177.96 1mno h MET 142 N 0.08 0.71 -0.45 3.56 2.86 -0.83 -1.49 114.93 119.36 1mno h MET 142 Ca 0.01 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.26 1mno h MET 142 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1mno h MET 142 CO 0.05 0.96 0.15 0.00 1.06 0.00 0.00 176.91 179.13 1mno h ALA 143 N 0.73 0.59 -0.78 6.32 0.00 -0.76 0.92 119.26 126.27 1mno h ALA 143 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mno h ALA 143 Cb 0.81 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1mno h ALA 143 CO 0.06 0.23 0.47 0.00 0.00 0.00 0.00 179.25 180.02 1mno h ALA 144 N 1.00 0.99 -0.45 0.00 0.00 -0.95 -0.65 119.26 119.20 1mno h ALA 144 Ca 0.15 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1mno h ALA 144 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mno h ALA 144 CO -0.01 0.46 -0.16 -0.22 0.00 0.00 0.00 179.25 179.33 1mno h LYS 145 N 1.07 0.86 -0.02 0.00 1.63 -0.80 -2.87 116.57 116.44 1mno h LYS 145 Ca 0.28 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1mno h LYS 145 Cb -0.04 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1mno h LYS 145 CO -0.05 0.95 0.01 1.88 -3.45 0.00 0.00 179.45 178.79 1mno h TYR 146 N 0.76 0.03 -0.38 1.91 -1.99 -0.12 -1.76 116.97 115.42 1mno h TYR 146 Ca 0.12 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.92 1mno h TYR 146 Cb 0.68 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.32 1mno h TYR 146 CO 0.04 0.05 -0.12 -0.22 -0.00 0.00 0.00 178.16 177.90 1mno h LYS 147 N 0.00 -0.03 -0.37 4.88 3.64 -1.02 -0.05 116.57 123.61 1mno h LYS 147 Ca 0.01 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1mno h LYS 147 Cb 0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1mno h LYS 147 CO -0.00 -0.02 0.25 1.49 -2.27 0.00 0.00 179.45 178.90 1mno h GLU 148 N -0.04 0.29 0.00 1.90 4.81 -1.31 -0.38 114.58 119.85 1mno h GLU 148 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1mno h GLU 148 Cb 0.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1mno h GLU 148 CO -0.41 0.19 -0.09 1.28 -0.73 0.00 0.00 179.01 179.25 1mno n LEU 149 N -4.48 0.81 0.00 1.64 4.77 -0.34 -4.92 117.00 114.48 1mno n LEU 149 Ca 0.04 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1mno n LEU 149 Cb 0.23 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1mno n LEU 149 CO 0.35 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1mno n GLY 150 N 1.31 0.83 3.64 -0.72 0.00 -0.15 -5.07 105.19 105.04 1mno n GLY 150 Ca 0.05 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1mno n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mno s PHE 151 N -2.00 3.29 -0.76 1.61 5.36 -0.18 -5.00 117.98 120.30 1mno s PHE 151 Ca 0.00 0.19 -0.26 0.00 -0.96 0.00 0.00 56.93 55.90 1mno s PHE 151 Cb 0.00 -2.28 0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1mno s PHE 151 CO 0.00 0.02 1.42 -1.14 -1.46 0.00 0.00 175.22 174.06 1mno s GLN 152 N 1.17 3.13 0.00 10.12 -0.44 -1.26 -4.05 119.66 128.33 1mno s GLN 152 Ca 0.07 -0.23 0.00 0.00 -2.50 0.00 0.00 55.36 52.71 1mno s GLN 152 Cb -0.14 -4.40 0.00 0.00 -1.64 0.00 0.00 33.01 26.83 1mno s GLN 152 CO 0.05 -2.29 0.38 0.41 0.50 0.00 0.00 175.29 174.34