#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1muq s PRO 4 N -3.67 2.45 0.53 0.00 0.02 -1.26 -4.85 135.00 128.23 1muq s PRO 4 Ca 0.35 1.66 0.31 0.00 0.02 0.00 0.00 61.00 63.34 1muq s PRO 4 Cb 0.03 -1.88 1.68 0.00 0.02 0.00 0.00 34.50 34.36 1muq s PRO 4 CO 0.21 -1.57 1.93 -0.07 -0.33 0.00 0.00 177.00 177.17 1muq h LEU 5 N -0.03 0.00 -3.35 -5.54 4.07 -2.04 -1.51 115.31 106.91 1muq h LEU 5 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1muq h LEU 5 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1muq h LEU 5 CO 0.52 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 176.98 1muq n ASP 6 N -2.68 5.03 -4.57 -0.43 5.75 -1.26 -4.95 116.55 113.43 1muq n ASP 6 Ca -0.02 -2.74 -0.25 0.00 -0.01 0.00 0.00 54.79 51.77 1muq n ASP 6 Cb 0.17 -0.61 -0.09 0.00 -1.03 0.00 0.00 41.12 39.56 1muq n ASP 6 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1muq s TRP 7 N -2.39 2.47 -0.38 2.11 0.52 -0.57 -4.91 118.94 115.79 1muq s TRP 7 Ca 0.51 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 56.08 1muq s TRP 7 Cb 0.36 -1.33 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 1muq s TRP 7 CO 0.18 0.57 0.25 -1.17 0.02 0.00 0.00 176.95 176.81 1muq s LEU 8 N -3.64 4.80 0.08 2.99 2.96 0.91 -4.85 118.68 121.93 1muq s LEU 8 Ca 0.33 -0.77 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 1muq s LEU 8 Cb -0.01 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 1muq s LEU 8 CO 0.18 -0.36 1.13 -2.84 -1.32 0.00 0.00 176.35 173.13 1muq s PRO 9 N 1.66 4.50 -0.29 0.98 0.02 -1.26 -0.98 135.00 139.63 1muq s PRO 9 Ca 0.05 1.68 -0.05 0.00 0.02 0.00 0.00 61.00 62.70 1muq s PRO 9 Cb -0.18 -3.35 0.16 0.00 0.02 0.00 0.00 34.50 31.14 1muq s PRO 9 CO 0.09 -0.12 0.60 1.41 -0.33 0.00 0.00 177.00 178.65 1muq s MET 10 N 0.66 0.55 -1.57 5.54 1.75 0.68 -4.97 119.30 121.93 1muq s MET 10 Ca 0.55 1.17 -0.13 0.00 -1.25 0.00 0.00 55.69 56.03 1muq s MET 10 Cb -0.28 0.62 0.10 0.00 2.84 0.00 0.00 34.83 38.11 1muq s MET 10 CO 0.30 -0.43 0.81 0.09 -0.65 0.00 0.00 175.02 175.15 1muq n ASN 11 N 5.43 -3.35 0.00 1.11 3.02 -1.26 -1.93 115.26 118.27 1muq n ASN 11 Ca -0.06 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1muq n ASN 11 Cb 0.50 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 1muq n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1muq n GLY 12 N -1.61 2.90 3.68 7.41 0.00 -1.26 -5.05 105.19 111.27 1muq n GLY 12 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1muq n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1muq s LEU 13 N 0.00 2.82 0.04 0.99 1.43 -0.81 -4.87 118.68 118.28 1muq s LEU 13 Ca 0.00 -1.35 0.09 0.00 -1.03 0.00 0.00 54.13 51.83 1muq s LEU 13 Cb 0.00 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1muq s LEU 13 CO 0.00 -0.57 -0.24 0.00 0.23 0.00 0.00 176.35 175.76 1muq s TYR 15 N -0.82 1.28 -0.28 0.00 1.51 -0.15 -0.44 117.35 118.44 1muq s TYR 15 Ca 0.12 -0.65 -0.21 0.00 -1.01 0.00 0.00 57.07 55.33 1muq s TYR 15 Cb -0.10 -0.66 0.09 0.00 -0.11 0.00 0.00 41.96 41.17 1muq s TYR 15 CO 0.03 0.10 0.77 0.21 -1.11 0.00 0.00 175.55 175.54 1muq s LYS 16 N -3.09 0.71 0.05 -0.62 2.20 -0.72 -0.06 119.74 118.21 1muq s LYS 16 Ca 0.11 1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 56.57 1muq s LYS 16 Cb -0.02 0.26 -0.06 0.00 -1.51 0.00 0.00 37.83 36.51 1muq s LYS 16 CO 0.02 -0.11 0.47 0.96 -0.36 0.00 0.00 175.35 176.33 1muq s ILE 17 N 0.89 4.94 -0.14 5.43 -5.25 -1.26 -0.41 121.20 125.40 1muq s ILE 17 Ca -0.04 0.89 0.01 0.00 -0.99 0.00 0.00 60.65 60.52 1muq s ILE 17 Cb -0.05 -3.75 -0.00 0.00 2.95 0.00 0.00 42.46 41.60 1muq s ILE 17 CO -0.09 0.49 -0.16 -0.36 -1.79 0.00 0.00 174.94 173.03 1muq s PHE 18 N -1.19 2.75 -2.07 1.37 0.40 0.07 -4.97 117.98 114.35 1muq s PHE 18 Ca 0.28 -0.94 0.25 0.00 -0.60 0.00 0.00 56.93 55.93 1muq s PHE 18 Cb -0.17 -1.85 1.39 0.00 0.51 0.00 0.00 43.02 42.91 1muq s PHE 18 CO 0.16 -0.40 1.91 0.09 0.70 0.00 0.00 175.22 177.69 1muq n ASN 19 N 3.83 0.29 -4.72 1.36 3.02 -1.26 -2.32 115.26 115.45 1muq n ASN 19 Ca -0.19 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.66 1muq n ASN 19 Cb 0.52 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 1muq n ASN 19 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1muq s GLN 20 N -1.98 4.39 -0.15 3.52 -0.21 -1.26 -4.83 119.66 119.13 1muq s GLN 20 Ca 0.37 1.92 -0.25 0.00 0.02 0.00 0.00 55.36 57.43 1muq s GLN 20 Cb 0.18 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.88 1muq s GLN 20 CO 0.29 -0.31 0.81 -0.51 -2.12 0.00 0.00 175.29 173.45 1muq s LEU 21 N 0.83 4.20 0.18 2.90 1.43 -1.26 -4.32 118.68 122.65 1muq s LEU 21 Ca 0.60 1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1muq s LEU 21 Cb -0.33 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1muq s LEU 21 CO 0.31 -0.35 0.14 -0.54 0.23 0.00 0.00 176.35 176.14 1muq s LYS 22 N 1.92 1.13 0.63 1.70 1.02 0.79 -4.77 119.74 122.17 1muq s LYS 22 Ca 0.38 -1.51 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 1muq s LYS 22 Cb -0.17 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.39 1muq s LYS 22 CO 0.13 -0.37 1.03 0.95 -0.92 0.00 0.00 175.35 176.18 1muq s THR 23 N -4.10 4.51 0.21 2.17 -4.23 -1.25 -1.37 115.64 111.57 1muq s THR 23 Ca 0.32 0.86 -0.10 0.00 -1.18 0.00 0.00 61.69 61.59 1muq s THR 23 Cb 0.06 -3.73 0.16 0.00 1.34 0.00 0.00 72.50 70.33 1muq s THR 23 CO 0.08 -1.02 1.71 -0.25 -0.54 0.00 0.00 174.62 174.60 1muq h TRP 24 N -0.26 0.24 -0.74 3.99 7.01 -1.30 0.15 115.95 125.04 1muq h TRP 24 Ca -0.44 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.57 1muq h TRP 24 Cb 1.19 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.21 1muq h TRP 24 CO 0.65 -0.01 0.36 1.49 -2.79 0.00 0.00 178.44 178.14 1muq h GLU 25 N 0.29 1.07 -0.11 2.65 4.81 -1.92 -0.65 114.58 120.72 1muq h GLU 25 Ca 0.32 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 1muq h GLU 25 Cb 0.46 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1muq h GLU 25 CO -0.39 0.83 -0.57 -0.44 -0.73 0.00 0.00 179.01 177.71 1muq h ASP 26 N 1.04 0.38 -0.41 1.04 3.32 -1.68 -1.91 116.42 118.21 1muq h ASP 26 Ca 0.26 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1muq h ASP 26 Cb 0.11 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1muq h ASP 26 CO -0.03 0.87 0.13 0.00 -1.72 0.00 0.00 179.24 178.49 1muq h ALA 27 N 1.14 0.54 0.54 3.45 0.00 -0.31 0.15 119.26 124.76 1muq h ALA 27 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1muq h ALA 27 Cb 1.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1muq h ALA 27 CO 0.09 0.19 -0.27 1.49 0.00 0.00 0.00 179.25 180.75 1muq h GLU 28 N 0.53 -0.72 -0.46 0.00 4.22 -0.98 -1.39 114.58 115.78 1muq h GLU 28 Ca 0.13 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1muq h GLU 28 Cb 0.26 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1muq h GLU 28 CO -0.00 -0.48 0.29 0.52 -2.18 0.00 0.00 179.01 177.16 1muq h MET 29 N -0.74 0.61 -0.39 1.92 2.86 -1.30 0.12 114.93 118.01 1muq h MET 29 Ca -0.07 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1muq h MET 29 Cb 0.58 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1muq h MET 29 CO 0.11 0.42 0.15 0.35 1.06 0.00 0.00 176.91 179.00 1muq h PHE 30 N 0.63 0.60 -0.52 -0.22 3.04 -0.37 -1.42 116.94 118.68 1muq h PHE 30 Ca 0.17 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1muq h PHE 30 Cb -0.05 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 1muq h PHE 30 CO 0.00 0.54 0.20 0.00 -2.02 0.00 0.00 178.31 177.03 1muq h ARG 32 N 0.70 0.58 -0.01 0.00 2.47 -0.73 -2.05 114.38 115.33 1muq h ARG 32 Ca 0.17 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1muq h ARG 32 Cb 0.22 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1muq h ARG 32 CO -0.01 0.38 -0.26 1.63 0.56 0.00 0.00 179.97 182.27 1muq n LYS 33 N -4.47 1.25 -0.07 0.04 4.76 -0.56 -4.14 118.16 114.97 1muq n LYS 33 Ca 0.06 -0.88 -0.11 0.00 -2.87 0.00 0.00 58.31 54.52 1muq n LYS 33 Cb 0.16 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1muq n LYS 33 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1muq h TYR 34 N 2.15 0.36 -1.60 2.13 5.03 -0.53 -3.46 116.97 121.05 1muq h TYR 34 Ca 0.00 -0.04 0.07 0.00 2.58 0.00 0.00 58.73 61.34 1muq h TYR 34 Cb 0.64 -0.10 -0.24 0.00 1.55 0.00 0.00 36.73 38.58 1muq h TYR 34 CO 0.00 0.42 0.50 -1.59 -1.32 0.00 0.00 178.16 176.17 1muq s LYS 35 N -5.39 0.59 0.16 1.82 -2.85 -1.25 -5.13 119.74 107.69 1muq s LYS 35 Ca -0.14 0.29 -0.33 0.00 -1.00 0.00 0.00 55.97 54.79 1muq s LYS 35 Cb 0.07 0.28 -0.13 0.00 -2.06 0.00 0.00 37.83 35.99 1muq s LYS 35 CO 0.72 -0.15 1.62 -0.35 0.10 0.00 0.00 175.35 177.29 1muq n PRO 36 N 1.20 2.27 0.00 1.78 -0.04 -1.26 -3.00 135.00 135.96 1muq n PRO 36 Ca -0.11 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1muq n PRO 36 Cb 0.57 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1muq n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1muq n GLY 37 N 3.57 1.11 3.56 0.55 0.00 -1.26 -4.74 105.19 107.97 1muq n GLY 37 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1muq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1muq s HIS 39 N -1.14 0.71 0.45 0.00 3.76 0.49 -3.42 115.29 116.14 1muq s HIS 39 Ca 0.20 -1.05 -0.24 0.00 -0.15 0.00 0.00 55.06 53.82 1muq s HIS 39 Cb -0.11 0.15 -0.08 0.00 1.11 0.00 0.00 32.58 33.66 1muq s HIS 39 CO 0.11 -1.17 1.21 -0.51 -0.85 0.00 0.00 174.74 173.53 1muq s LEU 40 N -3.15 4.07 0.60 0.89 1.43 -1.26 0.45 118.68 121.71 1muq s LEU 40 Ca 0.26 2.42 -0.19 0.00 -1.03 0.00 0.00 54.13 55.59 1muq s LEU 40 Cb -0.01 -4.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 1muq s LEU 40 CO 0.16 -0.92 1.23 0.00 0.23 0.00 0.00 176.35 177.04 1muq s ALA 41 N -1.44 2.52 0.18 4.21 0.00 0.78 -3.73 121.76 124.28 1muq s ALA 41 Ca 0.62 1.06 0.11 0.00 0.00 0.00 0.00 51.96 53.74 1muq s ALA 41 Cb -0.32 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1muq s ALA 41 CO 0.39 -1.25 -0.23 -1.54 0.00 0.00 0.00 175.76 173.14 1muq s SER 42 N -1.54 3.23 0.17 0.00 1.04 -1.26 0.11 113.70 115.45 1muq s SER 42 Ca 0.78 -0.86 0.11 0.00 0.48 0.00 0.00 55.95 56.47 1muq s SER 42 Cb -0.32 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 1muq s SER 42 CO 0.35 0.09 -0.25 -0.36 0.98 0.00 0.00 173.24 174.04 1muq s PHE 43 N -1.71 2.31 0.00 5.02 0.40 -1.26 -5.03 117.98 117.70 1muq s PHE 43 Ca 0.19 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1muq s PHE 43 Cb -0.08 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.26 1muq s PHE 43 CO 0.09 0.43 0.00 0.72 0.70 0.00 0.00 175.22 177.16 1muq n HIS 44 N 0.55 0.00 -3.61 0.36 8.25 -1.26 -4.52 115.22 114.98 1muq n HIS 44 Ca -0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 1muq n HIS 44 Cb 0.55 0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1muq n HIS 44 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1muq s ARG 45 N 0.00 0.93 0.25 -0.41 1.70 -1.26 -4.73 118.95 115.42 1muq s ARG 45 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 55.73 55.23 1muq s ARG 45 Cb 0.00 0.43 0.49 0.00 -0.57 0.00 0.00 34.95 35.30 1muq s ARG 45 CO 0.00 -0.29 1.70 -0.92 -1.08 0.00 0.00 175.30 174.71 1muq h TYR 46 N 3.24 0.37 -0.73 5.89 3.20 -2.01 -2.01 116.97 124.92 1muq h TYR 46 Ca -0.29 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.64 1muq h TYR 46 Cb 1.17 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1muq h TYR 46 CO 0.42 -0.05 0.49 0.78 -1.64 0.00 0.00 178.16 178.16 1muq h GLY 47 N 0.32 1.03 0.94 1.82 0.00 -2.00 -2.58 103.07 102.61 1muq h GLY 47 Ca 0.43 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1muq h GLY 47 CO -0.49 0.35 0.02 0.83 0.00 0.00 0.00 176.54 177.25 1muq h GLU 48 N 0.95 0.69 -0.05 4.80 5.08 -1.79 0.00 114.58 124.26 1muq h GLU 48 Ca 0.28 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1muq h GLU 48 Cb -0.04 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1muq h GLU 48 CO -0.07 0.76 -0.22 0.77 -1.00 0.00 0.00 179.01 179.26 1muq h SER 49 N 0.52 -0.66 -0.11 1.42 0.02 -1.38 0.35 113.55 113.72 1muq h SER 49 Ca 0.11 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1muq h SER 49 Cb 0.44 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1muq h SER 49 CO 0.02 -0.28 0.02 -0.07 -1.14 0.00 0.00 176.83 175.38 1muq h LEU 50 N -0.32 0.01 0.22 5.07 3.38 -1.39 0.29 115.31 122.57 1muq h LEU 50 Ca 0.08 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1muq h LEU 50 Cb 0.42 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1muq h LEU 50 CO -0.24 0.02 -0.46 -0.08 0.09 0.00 0.00 178.44 177.78 1muq h GLU 51 N 0.07 -0.74 -0.26 1.13 4.57 -0.49 -1.20 114.58 117.66 1muq h GLU 51 Ca 0.05 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1muq h GLU 51 Cb 0.04 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1muq h GLU 51 CO -0.06 -0.49 0.10 0.82 -1.18 0.00 0.00 179.01 178.19 1muq h ILE 52 N -0.77 0.95 -0.55 2.32 1.08 -0.19 -0.16 117.51 120.19 1muq h ILE 52 Ca -0.01 -0.08 0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1muq h ILE 52 Cb 0.74 0.70 -0.10 0.00 -3.07 0.00 0.00 36.82 35.09 1muq h ILE 52 CO -0.20 0.04 -0.11 0.00 -0.69 0.00 0.00 178.15 177.19 1muq h ALA 53 N 1.16 0.40 -0.20 1.87 0.00 -0.11 0.38 119.26 122.75 1muq h ALA 53 Ca 0.11 0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1muq h ALA 53 Cb 0.07 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1muq h ALA 53 CO -0.11 -0.43 -0.49 1.49 0.00 0.00 0.00 179.25 179.72 1muq h GLU 54 N 0.02 0.54 0.56 0.00 4.81 -0.96 -2.16 114.58 117.39 1muq h GLU 54 Ca 0.27 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1muq h GLU 54 Cb 0.41 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1muq h GLU 54 CO -0.55 0.91 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.38 1muq h TYR 55 N 0.43 -0.90 -0.70 0.92 -0.00 0.96 -2.39 116.97 115.28 1muq h TYR 55 Ca 0.02 -0.01 0.05 0.00 -0.00 0.00 0.00 58.73 58.80 1muq h TYR 55 Cb 1.01 0.32 -0.05 0.00 -0.00 0.00 0.00 36.73 38.00 1muq h TYR 55 CO 0.04 -0.52 0.41 0.82 -0.00 0.00 0.00 178.16 178.91 1muq h ILE 56 N -0.86 1.00 -0.92 1.81 2.04 -0.36 -1.32 117.51 118.92 1muq h ILE 56 Ca -0.07 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1muq h ILE 56 Cb 0.69 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1muq h ILE 56 CO 0.07 0.14 0.59 0.28 0.00 0.00 0.00 178.15 179.23 1muq h SER 57 N 0.76 0.87 1.43 1.72 0.02 -1.26 0.36 113.55 117.45 1muq h SER 57 Ca 0.31 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 1muq h SER 57 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1muq h SER 57 CO -0.17 0.52 -0.59 0.44 -1.14 0.00 0.00 176.83 175.90 1muq h ASP 58 N 0.97 0.00 -0.00 3.07 3.32 -0.82 -3.38 116.42 119.57 1muq h ASP 58 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1muq h ASP 58 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1muq h ASP 58 CO -0.18 0.28 -0.25 -1.22 -1.72 0.00 0.00 179.24 176.15 1muq n TYR 59 N -3.04 0.00 -2.51 4.55 4.02 -0.57 -4.95 117.16 114.66 1muq n TYR 59 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1muq n TYR 59 Cb 0.66 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.95 1muq n TYR 59 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1muq s HIS 60 N -1.44 2.45 -1.13 -0.72 2.46 0.12 -4.88 115.29 112.14 1muq s HIS 60 Ca 0.03 0.38 -0.09 0.00 0.47 0.00 0.00 55.06 55.85 1muq s HIS 60 Cb 0.05 -4.49 -0.07 0.00 -0.13 0.00 0.00 32.58 27.94 1muq s HIS 60 CO 0.23 -1.79 2.34 1.63 -2.47 0.00 0.00 174.74 174.67 1muq n LYS 61 N 8.64 2.53 0.00 2.88 5.02 -1.26 -4.70 118.16 131.26 1muq n LYS 61 Ca 0.09 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 1muq n LYS 61 Cb 0.49 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 1muq n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1muq n GLY 62 N 3.80 1.11 0.00 0.72 0.00 -1.26 -5.00 105.19 104.56 1muq n GLY 62 Ca 0.55 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1muq n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1muq n GLN 63 N 0.00 1.46 -0.51 1.61 7.27 -1.26 -5.12 117.38 120.83 1muq n GLN 63 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1muq n GLN 63 Cb 0.00 -0.12 0.27 0.00 2.41 0.00 0.00 30.24 32.80 1muq n GLN 63 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1muq s GLU 64 N 0.00 -2.00 0.66 3.69 8.01 -1.26 -4.83 118.70 122.96 1muq s GLU 64 Ca 0.00 0.40 -0.07 0.00 0.01 0.00 0.00 54.97 55.31 1muq s GLU 64 Cb 0.00 -1.46 0.03 0.00 -4.31 0.00 0.00 34.13 28.39 1muq s GLU 64 CO 0.00 -4.33 0.98 -0.80 0.01 0.00 0.00 175.26 171.12 1muq s ASN 65 N -2.95 5.21 -0.12 -0.19 0.01 -1.26 -4.66 114.94 110.98 1muq s ASN 65 Ca 0.69 0.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1muq s ASN 65 Cb -0.18 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.02 1muq s ASN 65 CO 0.61 -1.35 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.92 1muq s VAL 66 N -3.16 2.06 0.42 1.60 1.01 -1.10 -1.10 120.40 120.13 1muq s VAL 66 Ca 0.57 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1muq s VAL 66 Cb -0.11 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1muq s VAL 66 CO 0.46 0.56 1.13 0.26 0.00 0.00 0.00 175.10 177.50 1muq s TRP 67 N 0.56 3.08 0.22 5.22 0.23 0.94 0.34 118.94 129.53 1muq s TRP 67 Ca -0.14 1.58 0.03 0.00 -2.03 0.00 0.00 56.10 55.54 1muq s TRP 67 Cb -0.17 -3.30 -0.05 0.00 0.03 0.00 0.00 33.47 29.98 1muq s TRP 67 CO 0.04 -1.15 0.00 0.96 0.96 0.00 0.00 176.95 177.77 1muq s ILE 68 N -1.53 0.95 -1.52 2.03 -4.36 -0.78 -2.24 121.20 113.74 1muq s ILE 68 Ca 0.59 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1muq s ILE 68 Cb -0.27 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1muq s ILE 68 CO 0.34 -0.33 0.34 0.61 0.24 0.00 0.00 174.94 176.14 1muq n GLY 69 N -0.39 0.08 3.72 6.27 0.00 0.12 -4.56 105.19 110.43 1muq n GLY 69 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1muq n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1muq s LEU 70 N -0.52 4.23 -0.14 0.99 2.96 -1.26 -0.88 118.68 124.06 1muq s LEU 70 Ca 0.00 0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 54.28 1muq s LEU 70 Cb 0.00 -2.45 0.05 0.00 0.50 0.00 0.00 46.19 44.29 1muq s LEU 70 CO 0.00 0.05 0.50 -0.60 -1.32 0.00 0.00 176.35 174.98 1muq s ARG 71 N 0.64 0.67 -1.19 1.98 3.52 -0.92 -0.67 118.95 122.99 1muq s ARG 71 Ca 0.18 0.49 -0.10 0.00 -0.13 0.00 0.00 55.73 56.17 1muq s ARG 71 Cb -0.14 0.32 0.21 0.00 -1.56 0.00 0.00 34.95 33.79 1muq s ARG 71 CO 0.06 -0.12 1.48 -3.47 -0.81 0.00 0.00 175.30 172.43 1muq n ASP 72 N 2.29 5.44 -0.29 -2.12 2.03 0.77 -1.55 116.55 123.12 1muq n ASP 72 Ca -0.16 -3.09 0.03 0.00 0.52 0.00 0.00 54.79 52.09 1muq n ASP 72 Cb 0.56 -1.46 0.10 0.00 -0.72 0.00 0.00 41.12 39.60 1muq n ASP 72 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1muq h LYS 73 N 6.43 -0.00 -0.83 -0.67 3.64 -1.83 0.32 116.57 123.63 1muq h LYS 73 Ca 0.29 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1muq h LYS 73 Cb 0.77 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 1muq h LYS 73 CO 1.30 -0.00 0.12 1.63 -2.27 0.00 0.00 179.45 180.23 1muq n LYS 74 N -5.53 2.80 -3.93 1.90 5.02 -1.26 -4.93 118.16 112.24 1muq n LYS 74 Ca 0.12 -1.82 -0.26 0.00 -2.02 0.00 0.00 58.31 54.32 1muq n LYS 74 Cb 0.41 -1.87 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1muq n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1muq n LYS 75 N 0.10 -0.91 -1.17 1.97 5.02 0.10 -4.77 118.16 118.49 1muq n LYS 75 Ca 0.22 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 1muq n LYS 75 Cb 0.93 -3.01 -0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1muq n LYS 75 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1muq n ASP 76 N -2.11 0.34 -1.17 4.39 5.75 -1.26 -4.99 116.55 117.49 1muq n ASP 76 Ca -0.18 -1.94 -0.10 0.00 -0.01 0.00 0.00 54.79 52.56 1muq n ASP 76 Cb 0.51 -0.13 -0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1muq n ASP 76 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1muq n PHE 77 N 0.28 -0.49 -3.44 2.11 3.01 -1.26 -4.96 117.46 112.71 1muq n PHE 77 Ca -0.03 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.09 1muq n PHE 77 Cb 0.94 -2.46 -0.05 0.00 -0.01 0.00 0.00 39.48 37.89 1muq n PHE 77 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1muq n SER 78 N 0.04 4.57 -4.73 4.37 3.41 -1.26 -5.06 113.62 114.96 1muq n SER 78 Ca -0.12 -3.29 -0.42 0.00 -0.26 0.00 0.00 58.87 54.78 1muq n SER 78 Cb 0.59 -0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1muq n SER 78 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1muq s TRP 79 N -2.05 3.28 0.02 7.33 0.52 -1.26 -4.20 118.94 122.58 1muq s TRP 79 Ca 0.32 1.17 0.02 0.00 0.02 0.00 0.00 56.10 57.63 1muq s TRP 79 Cb 0.02 -3.60 -0.01 0.00 -1.15 0.00 0.00 33.47 28.73 1muq s TRP 79 CO -0.04 -1.93 -0.07 -1.21 0.02 0.00 0.00 176.95 173.72 1muq s GLU 80 N 0.27 0.52 0.10 4.98 2.02 -0.59 -4.93 118.70 121.07 1muq s GLU 80 Ca 0.59 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.88 1muq s GLU 80 Cb -0.36 -0.41 -0.07 0.00 0.10 0.00 0.00 34.13 33.39 1muq s GLU 80 CO 0.35 0.10 0.66 -1.58 0.02 0.00 0.00 175.26 174.82 1muq s TRP 81 N -0.71 3.84 0.45 1.61 0.52 -1.25 -2.16 118.94 121.24 1muq s TRP 81 Ca -0.03 1.43 0.28 0.00 0.02 0.00 0.00 56.10 57.79 1muq s TRP 81 Cb -0.06 -2.63 1.52 0.00 -1.15 0.00 0.00 33.47 31.15 1muq s TRP 81 CO 0.00 0.53 2.11 1.79 0.02 0.00 0.00 176.95 181.40 1muq h THR 82 N 3.52 0.56 -0.12 2.01 1.35 -1.32 0.25 112.91 119.17 1muq h THR 82 Ca -0.48 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1muq h THR 82 Cb 1.21 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1muq h THR 82 CO 0.65 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.12 1muq n ASP 83 N -3.68 0.78 0.00 5.36 5.75 -1.26 -4.84 116.55 118.66 1muq n ASP 83 Ca -0.02 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1muq n ASP 83 Cb 0.21 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1muq n ASP 83 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1muq n ARG 84 N -0.17 -1.06 -0.53 0.11 1.74 0.08 -4.92 116.66 111.91 1muq n ARG 84 Ca 0.10 0.27 -0.30 0.00 -0.77 0.00 0.00 57.85 57.15 1muq n ARG 84 Cb 0.15 -4.75 0.24 0.00 -1.02 0.00 0.00 32.46 27.08 1muq n ARG 84 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1muq n SER 85 N -0.53 -2.14 -4.64 0.55 3.41 -1.26 -4.86 113.62 104.15 1muq n SER 85 Ca 0.00 -0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 57.99 1muq n SER 85 Cb 0.27 -1.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.04 1muq n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1muq s THR 87 N 2.90 3.39 -0.01 0.00 2.01 -1.26 -4.60 115.64 118.07 1muq s THR 87 Ca 0.35 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1muq s THR 87 Cb -0.15 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1muq s THR 87 CO 0.08 -0.76 0.75 -0.90 -0.69 0.00 0.00 174.62 173.10 1muq n ASP 88 N 15.29 0.59 -3.77 3.53 3.85 -1.26 -5.04 116.55 129.75 1muq n ASP 88 Ca 0.43 -1.57 -0.13 0.00 -0.71 0.00 0.00 54.79 52.80 1muq n ASP 88 Cb 0.46 -0.07 -0.14 0.00 -1.35 0.00 0.00 41.12 40.02 1muq n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1muq s TYR 89 N -0.43 -0.16 -0.13 2.11 5.04 -1.26 -5.02 117.35 117.50 1muq s TYR 89 Ca 0.03 0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 55.06 1muq s TYR 89 Cb 0.02 -0.05 0.06 0.00 0.35 0.00 0.00 41.96 42.35 1muq s TYR 89 CO 0.00 -0.14 0.21 -0.51 -1.34 0.00 0.00 175.55 173.77 1muq s LEU 90 N 0.86 -0.15 -0.72 6.97 1.43 -1.26 -4.86 118.68 120.96 1muq s LEU 90 Ca -0.07 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1muq s LEU 90 Cb -0.09 0.42 0.30 0.00 0.03 0.00 0.00 46.19 46.86 1muq s LEU 90 CO -0.04 -0.27 1.07 1.07 0.23 0.00 0.00 176.35 178.41 1muq n THR 91 N 5.33 3.55 -1.94 5.49 5.66 -1.26 -5.07 114.28 126.05 1muq n THR 91 Ca -0.05 -5.57 -0.38 0.00 -3.05 0.00 0.00 64.05 55.00 1muq n THR 91 Cb 0.50 -1.72 0.03 0.00 -1.55 0.00 0.00 70.33 67.58 1muq n THR 91 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1muq s TRP 92 N -3.22 2.46 0.81 1.09 0.52 -1.26 -0.19 118.94 119.16 1muq s TRP 92 Ca 0.43 1.43 -0.12 0.00 0.02 0.00 0.00 56.10 57.86 1muq s TRP 92 Cb 0.20 -3.65 0.09 0.00 -1.15 0.00 0.00 33.47 28.95 1muq s TRP 92 CO -0.07 -2.45 1.18 0.34 0.02 0.00 0.00 176.95 175.97 1muq s ASP 93 N -1.13 4.44 -0.05 2.95 2.15 0.12 -4.51 116.67 120.64 1muq s ASP 93 Ca 0.70 0.73 -0.37 0.00 0.43 0.00 0.00 52.55 54.04 1muq s ASP 93 Cb -0.36 -1.20 -0.15 0.00 -0.30 0.00 0.00 42.92 40.91 1muq s ASP 93 CO 0.43 -1.94 1.63 1.17 -0.17 0.00 0.00 175.17 176.29 1muq n LYS 94 N -3.32 1.57 -1.05 4.34 4.81 -1.26 -1.13 118.16 122.11 1muq n LYS 94 Ca 0.08 0.57 -0.02 0.00 -0.87 0.00 0.00 58.31 58.08 1muq n LYS 94 Cb 0.61 -2.30 -0.01 0.00 0.02 0.00 0.00 35.03 33.36 1muq n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1muq n ASN 95 N 4.50 -4.48 -4.70 3.14 5.03 -1.26 -5.01 115.26 112.48 1muq n ASN 95 Ca 0.22 0.05 -0.30 0.00 0.87 0.00 0.00 54.58 55.41 1muq n ASN 95 Cb 0.21 -2.14 -0.08 0.00 -1.02 0.00 0.00 39.78 36.76 1muq n ASN 95 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1muq s GLN 96 N -1.34 2.60 0.56 3.52 -1.52 -0.29 -4.24 119.66 118.95 1muq s GLN 96 Ca 0.00 -0.82 -0.07 0.00 -1.95 0.00 0.00 55.36 52.52 1muq s GLN 96 Cb 0.00 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.20 1muq s GLN 96 CO 0.00 0.54 0.89 -1.25 -0.25 0.00 0.00 175.29 175.22 1muq s PRO 97 N -2.36 3.35 0.00 2.91 0.04 -1.26 -4.55 135.00 133.14 1muq s PRO 97 Ca 0.26 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1muq s PRO 97 Cb -0.12 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1muq s PRO 97 CO 0.19 -0.47 0.00 -0.40 0.04 0.00 0.00 177.00 176.36 1muq n ASP 98 N -2.50 0.00 -3.79 6.66 5.75 -1.26 -5.02 116.55 116.39 1muq n ASP 98 Ca 0.03 -0.07 -0.27 0.00 -0.01 0.00 0.00 54.79 54.48 1muq n ASP 98 Cb 0.56 0.12 0.04 0.00 -1.03 0.00 0.00 41.12 40.81 1muq n ASP 98 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1muq n HIS 99 N -0.12 -2.32 -1.33 2.11 8.25 -1.26 -4.77 115.22 115.78 1muq n HIS 99 Ca 0.00 0.91 -0.52 0.00 -0.26 0.00 0.00 57.72 57.85 1muq n HIS 99 Cb 0.00 -4.31 -0.07 0.00 1.12 0.00 0.00 29.99 26.73 1muq n HIS 99 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1muq n TYR 100 N -4.63 0.51 -0.93 4.41 -0.00 -1.26 0.20 117.16 115.47 1muq n TYR 100 Ca -0.05 0.94 -0.02 0.00 -0.00 0.00 0.00 57.90 58.76 1muq n TYR 100 Cb 0.57 -1.85 -0.01 0.00 -0.00 0.00 0.00 39.34 38.05 1muq n TYR 100 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1muq n GLN 101 N 1.31 -1.91 -3.42 2.98 6.02 -1.26 -1.63 117.38 119.46 1muq n GLN 101 Ca 0.18 0.50 -0.22 0.00 -0.01 0.00 0.00 57.00 57.45 1muq n GLN 101 Cb 0.08 -4.69 0.07 0.00 1.02 0.00 0.00 30.24 26.72 1muq n GLN 101 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1muq n ASN 102 N -0.42 -6.04 -0.09 1.08 2.85 0.55 -4.89 115.26 108.31 1muq n ASN 102 Ca -0.02 -0.46 0.00 0.00 -0.11 0.00 0.00 54.58 53.99 1muq n ASN 102 Cb 0.44 -4.69 0.00 0.00 1.24 0.00 0.00 39.78 36.77 1muq n ASN 102 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1muq n LYS 103 N -4.53 0.00 -3.72 1.20 5.02 -0.65 -5.04 118.16 110.45 1muq n LYS 103 Ca -0.01 -0.52 -0.38 0.00 -2.02 0.00 0.00 58.31 55.37 1muq n LYS 103 Cb 0.57 -0.44 -0.12 0.00 -0.02 0.00 0.00 35.03 35.01 1muq n LYS 103 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1muq s GLU 104 N 0.00 2.64 0.00 1.97 2.02 -1.24 -4.26 118.70 119.83 1muq s GLU 104 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1muq s GLU 104 Cb 0.00 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1muq s GLU 104 CO 0.00 -0.70 0.65 1.19 0.02 0.00 0.00 175.26 176.42 1muq n PHE 105 N 4.85 0.00 -4.87 1.61 3.01 -0.68 -4.36 117.46 117.02 1muq n PHE 105 Ca -0.12 -0.18 -0.27 0.00 1.01 0.00 0.00 57.45 57.89 1muq n PHE 105 Cb 0.45 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.75 1muq n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1muq s VAL 107 N -0.65 5.41 0.12 0.00 1.01 0.16 0.23 120.40 126.67 1muq s VAL 107 Ca 0.08 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.44 1muq s VAL 107 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1muq s VAL 107 CO 0.01 0.59 -0.12 -1.83 0.00 0.00 0.00 175.10 173.74 1muq s GLU 108 N -0.84 0.96 -0.27 2.72 -1.05 -0.35 -1.87 118.70 118.00 1muq s GLU 108 Ca 0.16 -1.25 -0.25 0.00 -0.15 0.00 0.00 54.97 53.48 1muq s GLU 108 Cb -0.13 -0.71 0.00 0.00 -0.44 0.00 0.00 34.13 32.85 1muq s GLU 108 CO 0.05 0.12 0.86 -0.51 0.95 0.00 0.00 175.26 176.73 1muq s LEU 109 N -2.58 4.07 -0.25 1.83 1.43 0.15 -1.38 118.68 121.96 1muq s LEU 109 Ca 0.09 0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 1muq s LEU 109 Cb -0.03 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1muq s LEU 109 CO 0.02 -0.59 1.76 -0.69 0.23 0.00 0.00 176.35 177.07 1muq s VAL 110 N 2.99 3.51 0.40 -1.59 1.01 0.02 -2.70 120.40 124.04 1muq s VAL 110 Ca 0.36 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.98 1muq s VAL 110 Cb -0.15 -3.58 0.31 0.00 0.00 0.00 0.00 36.38 32.96 1muq s VAL 110 CO 0.10 -0.30 1.97 -1.28 0.00 0.00 0.00 175.10 175.59 1muq h SER 111 N 11.97 0.52 0.78 3.32 0.87 -1.88 -0.44 113.55 128.69 1muq h SER 111 Ca -0.35 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1muq h SER 111 Cb 1.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1muq h SER 111 CO 1.01 0.32 0.00 0.18 -0.53 0.00 0.00 176.83 177.81 1muq n LEU 112 N -4.48 0.07 -1.54 2.23 4.77 -1.26 -2.20 117.00 114.59 1muq n LEU 112 Ca 0.10 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.62 1muq n LEU 112 Cb 0.29 -0.50 0.31 0.00 -2.33 0.00 0.00 43.42 41.20 1muq n LEU 112 CO 0.34 -0.15 0.86 0.35 -1.33 0.00 0.00 177.39 177.45 1muq n THR 113 N -1.57 2.65 -2.40 -5.08 -2.24 -0.48 -4.89 114.28 100.27 1muq n THR 113 Ca 0.05 -1.74 -0.16 0.00 -2.27 0.00 0.00 64.05 59.94 1muq n THR 113 Cb 0.26 -0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1muq n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1muq n GLY 114 N -0.11 -0.26 2.46 3.38 0.00 -0.93 -2.35 105.19 107.37 1muq n GLY 114 Ca 0.30 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1muq n GLY 114 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1muq n TYR 115 N -4.05 -1.19 -0.09 1.61 4.02 -0.30 -4.69 117.16 112.48 1muq n TYR 115 Ca -0.16 0.03 -0.11 0.00 -0.01 0.00 0.00 57.90 57.65 1muq n TYR 115 Cb 0.63 -3.62 -0.13 0.00 -0.02 0.00 0.00 39.34 36.21 1muq n TYR 115 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1muq n ARG 116 N -3.01 0.98 -4.03 -0.72 1.74 -0.99 -4.31 116.66 106.32 1muq n ARG 116 Ca -0.21 0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.66 1muq n ARG 116 Cb 0.66 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 1muq n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1muq s LEU 117 N -5.59 4.04 0.18 0.55 1.43 -1.26 -4.89 118.68 113.14 1muq s LEU 117 Ca -0.15 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1muq s LEU 117 Cb 0.06 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1muq s LEU 117 CO 0.65 0.03 0.20 0.26 0.23 0.00 0.00 176.35 177.72 1muq s TRP 118 N -1.83 3.25 -0.06 0.29 0.51 0.74 -0.80 118.94 121.04 1muq s TRP 118 Ca 0.33 -0.00 -0.03 0.00 -2.12 0.00 0.00 56.10 54.28 1muq s TRP 118 Cb -0.10 -1.54 0.04 0.00 -0.81 0.00 0.00 33.47 31.06 1muq s TRP 118 CO 0.26 0.51 0.13 1.21 -0.51 0.00 0.00 176.95 178.56 1muq s ASN 119 N -3.33 -0.09 0.22 2.95 2.47 -0.48 0.16 114.94 116.85 1muq s ASN 119 Ca 0.32 0.27 -0.30 0.00 0.42 0.00 0.00 52.86 53.58 1muq s ASN 119 Cb -0.10 0.16 -0.09 0.00 -1.45 0.00 0.00 41.25 39.78 1muq s ASN 119 CO 0.25 -0.15 1.08 1.51 -3.72 0.00 0.00 177.10 176.08 1muq s ASP 120 N 1.16 7.31 0.22 -4.21 -4.77 -1.26 -1.21 116.67 113.90 1muq s ASP 120 Ca -0.09 2.14 0.00 0.00 -3.30 0.00 0.00 52.55 51.30 1muq s ASP 120 Cb -0.12 -2.61 -0.05 0.00 -1.09 0.00 0.00 42.92 39.05 1muq s ASP 120 CO -0.06 -0.15 0.10 -1.58 0.70 0.00 0.00 175.17 174.19 1muq s GLN 121 N -0.88 1.26 -0.10 2.11 2.00 0.62 -4.86 119.66 119.80 1muq s GLN 121 Ca 0.46 -1.66 -0.29 0.00 -2.00 0.00 0.00 55.36 51.87 1muq s GLN 121 Cb -0.30 0.00 -0.04 0.00 0.80 0.00 0.00 33.01 33.47 1muq s GLN 121 CO 0.37 -0.32 1.58 0.08 -0.50 0.00 0.00 175.29 176.50 1muq s VAL 122 N -3.94 3.72 0.60 1.34 1.01 -1.26 -1.68 120.40 120.18 1muq s VAL 122 Ca 0.36 0.86 0.29 0.00 0.00 0.00 0.00 61.98 63.49 1muq s VAL 122 Cb 0.07 -3.59 0.37 0.00 0.00 0.00 0.00 36.38 33.23 1muq s VAL 122 CO 0.11 -0.11 1.99 0.00 0.00 0.00 0.00 175.10 177.09 1muq n GLU 124 N -3.67 0.92 -1.99 0.00 -0.58 -1.26 -1.17 120.64 112.89 1muq n GLU 124 Ca 0.05 -0.31 -0.35 0.00 -0.42 0.00 0.00 57.16 56.12 1muq n GLU 124 Cb 0.49 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.90 1muq n GLU 124 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1muq s SER 125 N -2.29 5.22 -0.27 1.62 0.01 0.45 -4.74 113.70 113.71 1muq s SER 125 Ca 0.35 2.29 -0.14 0.00 1.31 0.00 0.00 55.95 59.76 1muq s SER 125 Cb 0.21 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1muq s SER 125 CO 0.43 -1.57 0.31 -0.54 0.41 0.00 0.00 173.24 172.29 1muq s LYS 126 N -3.46 4.00 0.29 12.44 -0.14 -1.26 -3.91 119.74 127.70 1muq s LYS 126 Ca 0.75 -0.07 0.02 0.00 -1.36 0.00 0.00 55.97 55.31 1muq s LYS 126 Cb -0.27 -3.65 -0.05 0.00 -1.68 0.00 0.00 37.83 32.17 1muq s LYS 126 CO 0.34 -0.23 0.09 -0.51 -0.76 0.00 0.00 175.35 174.28 1muq s ASP 127 N 1.64 1.60 0.73 2.83 1.11 -0.47 -4.76 116.67 119.35 1muq s ASP 127 Ca 0.13 -1.41 -0.06 0.00 0.18 0.00 0.00 52.55 51.38 1muq s ASP 127 Cb -0.16 0.14 0.09 0.00 1.07 0.00 0.00 42.92 44.06 1muq s ASP 127 CO 0.10 -0.72 1.03 0.00 1.18 0.00 0.00 175.17 176.76 1muq s ALA 128 N -3.60 3.23 0.03 5.23 0.00 -0.26 -0.15 121.76 126.24 1muq s ALA 128 Ca 0.37 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1muq s ALA 128 Cb 0.08 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 1muq s ALA 128 CO 0.15 -1.45 0.15 -0.59 0.00 0.00 0.00 175.76 174.02 1muq s PHE 129 N -3.27 0.10 -0.37 0.00 -0.71 -0.98 -0.04 117.98 112.71 1muq s PHE 129 Ca 0.63 -0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 56.10 1muq s PHE 129 Cb -0.08 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 1muq s PHE 129 CO 0.45 -0.38 0.20 -1.17 -1.34 0.00 0.00 175.22 172.99 1muq s LEU 130 N -1.93 4.65 0.43 -1.99 0.20 -0.95 -0.75 118.68 118.35 1muq s LEU 130 Ca -0.07 -0.92 -0.06 0.00 0.69 0.00 0.00 54.13 53.77 1muq s LEU 130 Cb -0.03 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1muq s LEU 130 CO -0.03 -0.36 0.75 0.00 -0.29 0.00 0.00 176.35 176.42 1muq s GLN 132 N -4.37 0.25 0.17 0.00 0.74 0.17 -1.75 119.66 114.86 1muq s GLN 132 Ca 0.48 0.16 0.04 0.00 0.05 0.00 0.00 55.36 56.08 1muq s GLN 132 Cb -0.10 -0.56 -0.05 0.00 1.10 0.00 0.00 33.01 33.41 1muq s GLN 132 CO 0.39 -0.21 -0.06 0.00 -0.55 0.00 0.00 175.29 174.87 1muq s LYS 134 N -3.81 3.41 0.00 0.00 1.02 -1.12 -1.24 119.74 118.00 1muq s LYS 134 Ca 0.21 -0.63 0.14 0.00 0.02 0.00 0.00 55.97 55.71 1muq s LYS 134 Cb 0.04 -2.89 0.11 0.00 -0.52 0.00 0.00 37.83 34.57 1muq s LYS 134 CO 0.03 -0.03 0.95 1.19 -0.92 0.00 0.00 175.35 176.57