#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 -4.01 2.35 0.59 0.00 0.02 -1.26 -4.89 135.00 127.81 1muq s PRO 4 Ca 0.37 1.60 0.33 0.00 0.02 0.00 0.00 61.00 63.31 1muq s PRO 4 Cb 0.08 -1.88 1.79 0.00 0.02 0.00 0.00 34.50 34.51 1muq s PRO 4 CO 0.13 -1.64 2.00 -0.07 -0.33 0.00 0.00 177.00 177.09 1muq h LEU 5 N -0.24 0.00 -3.32 -5.54 4.07 -2.04 -1.83 115.31 106.42 1muq h LEU 5 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1muq h LEU 5 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1muq h LEU 5 CO 0.51 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 176.97 1muq n ASP 6 N -2.80 4.30 -4.54 -0.43 5.75 -1.26 -4.96 116.55 112.61 1muq n ASP 6 Ca -0.02 -2.96 -0.26 0.00 -0.01 0.00 0.00 54.79 51.54 1muq n ASP 6 Cb 0.22 -0.57 -0.09 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.74 2.52 -0.42 2.11 0.52 -0.69 -4.89 118.94 115.36 1muq s TRP 7 Ca 0.45 -0.27 -0.15 0.00 0.02 0.00 0.00 56.10 56.15 1muq s TRP 7 Cb 0.35 -1.19 0.03 0.00 -1.15 0.00 0.00 33.47 31.51 1muq s TRP 7 CO 0.11 0.56 0.31 -1.17 0.02 0.00 0.00 176.95 176.79 1muq s LEU 8 N -3.07 5.17 0.06 2.99 2.96 0.14 -4.80 118.68 122.14 1muq s LEU 8 Ca 0.26 -0.95 -0.31 0.00 -0.22 0.00 0.00 54.13 52.91 1muq s LEU 8 Cb -0.08 -2.16 -0.07 0.00 0.50 0.00 0.00 46.19 44.38 1muq s LEU 8 CO 0.15 -0.47 1.42 -2.84 -1.32 0.00 0.00 176.35 173.28 1muq s PRO 9 N 1.68 4.29 -0.27 0.98 0.02 -1.26 -1.01 135.00 139.44 1muq s PRO 9 Ca 0.05 2.05 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 1muq s PRO 9 Cb -0.20 -3.41 0.15 0.00 0.02 0.00 0.00 34.50 31.06 1muq s PRO 9 CO 0.10 -0.52 0.51 1.41 -0.33 0.00 0.00 177.00 178.17 1muq s MET 10 N 1.76 0.46 -1.39 5.54 1.75 0.20 -4.97 119.30 122.66 1muq s MET 10 Ca 0.65 0.94 -0.02 0.00 -1.25 0.00 0.00 55.69 56.01 1muq s MET 10 Cb -0.35 0.25 0.00 0.00 2.84 0.00 0.00 34.83 37.57 1muq s MET 10 CO 0.29 -0.50 0.43 0.09 -0.65 0.00 0.00 175.02 174.68 1muq n ASN 11 N 5.41 -0.66 0.00 1.11 3.02 -1.26 -1.47 115.26 121.41 1muq n ASN 11 Ca -0.05 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1muq n ASN 11 Cb 0.50 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.67 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 -1.99 2.68 3.69 7.41 0.00 -1.26 -5.02 105.19 110.69 1muq n GLY 12 Ca -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 3.06 -0.08 0.99 1.43 -0.54 -4.83 118.68 118.72 1muq s LEU 13 Ca 0.00 -1.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 1muq s LEU 13 Cb 0.00 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1muq s LEU 13 CO 0.00 -0.39 -0.22 0.00 0.23 0.00 0.00 176.35 175.97 1muq s TYR 15 N -0.03 1.99 -0.27 0.00 1.51 -0.18 0.05 117.35 120.43 1muq s TYR 15 Ca -0.07 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.41 1muq s TYR 15 Cb -0.15 -1.05 0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1muq s TYR 15 CO 0.05 0.30 0.66 0.21 -1.11 0.00 0.00 175.55 175.66 1muq s LYS 16 N -2.22 0.70 0.11 -0.62 2.20 -0.42 0.25 119.74 119.73 1muq s LYS 16 Ca 0.12 1.14 -0.21 0.00 -0.36 0.00 0.00 55.97 56.65 1muq s LYS 16 Cb -0.09 0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1muq s LYS 16 CO 0.06 -0.14 0.64 0.96 -0.36 0.00 0.00 175.35 176.50 1muq s ILE 17 N 1.38 4.62 -0.18 5.43 -5.25 -1.26 -0.32 121.20 125.62 1muq s ILE 17 Ca -0.08 1.36 -0.01 0.00 -0.99 0.00 0.00 60.65 60.93 1muq s ILE 17 Cb -0.05 -3.97 -0.00 0.00 2.95 0.00 0.00 42.46 41.38 1muq s ILE 17 CO -0.15 0.53 -0.11 -0.36 -1.79 0.00 0.00 174.94 173.06 1muq s PHE 18 N -1.14 2.86 -0.50 1.37 0.40 0.24 -4.96 117.98 116.25 1muq s PHE 18 Ca 0.31 -1.04 0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1muq s PHE 18 Cb -0.21 -1.98 0.96 0.00 0.51 0.00 0.00 43.02 42.31 1muq s PHE 18 CO 0.21 -0.52 1.69 0.09 0.70 0.00 0.00 175.22 177.39 1muq n ASN 19 N 4.38 0.62 -4.77 1.36 3.02 -1.26 -1.44 115.26 117.17 1muq n ASN 19 Ca -0.19 0.66 -0.41 0.00 -0.03 0.00 0.00 54.58 54.61 1muq n ASN 19 Cb 0.51 -0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 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 -3.31 4.18 -0.14 3.52 -0.21 -1.26 -4.70 119.66 117.74 1muq s GLN 20 Ca 0.04 2.47 -0.17 0.00 0.02 0.00 0.00 55.36 57.72 1muq s GLN 20 Cb 0.09 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 1muq s GLN 20 CO 0.37 -0.47 0.41 -0.51 -2.12 0.00 0.00 175.29 172.97 1muq s LEU 21 N -1.45 4.25 0.16 2.90 1.43 -1.25 -4.11 118.68 120.61 1muq s LEU 21 Ca 0.55 0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1muq s LEU 21 Cb -0.45 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.20 1muq s LEU 21 CO 0.55 0.02 0.34 -0.54 0.23 0.00 0.00 176.35 176.95 1muq s LYS 22 N 0.65 1.18 0.80 1.70 1.02 -0.42 -4.82 119.74 119.85 1muq s LYS 22 Ca 0.22 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 1muq s LYS 22 Cb -0.14 0.41 0.07 0.00 -0.52 0.00 0.00 37.83 37.65 1muq s LYS 22 CO 0.08 -0.45 1.09 0.95 -0.92 0.00 0.00 175.35 176.10 1muq s THR 23 N -3.93 3.15 0.14 2.17 -4.23 -1.23 -1.75 115.64 109.95 1muq s THR 23 Ca 0.14 0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 1muq s THR 23 Cb 0.02 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1muq s THR 23 CO -0.02 -0.49 1.61 -0.25 -0.54 0.00 0.00 174.62 174.93 1muq h TRP 24 N -1.15 -0.93 -0.40 3.99 7.01 -1.17 -0.02 115.95 123.27 1muq h TRP 24 Ca -0.47 0.04 0.08 0.00 2.11 0.00 0.00 58.89 60.65 1muq h TRP 24 Cb 1.26 0.43 -0.09 0.00 -2.10 0.00 0.00 29.16 28.66 1muq h TRP 24 CO 0.49 -0.41 -0.36 1.49 -2.79 0.00 0.00 178.44 176.86 1muq h GLU 25 N -0.41 -0.27 0.00 2.65 4.81 -1.92 0.13 114.58 119.57 1muq h GLU 25 Ca 0.09 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1muq h GLU 25 Cb 0.56 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1muq h GLU 25 CO -0.36 -0.18 0.00 -0.44 -0.73 0.00 0.00 179.01 177.30 1muq h ASP 26 N -0.28 0.00 0.02 1.04 3.32 -1.80 -1.28 116.42 117.44 1muq h ASP 26 Ca 0.16 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1muq h ASP 26 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1muq h ASP 26 CO -0.55 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 176.81 1muq h ALA 27 N 2.06 -0.01 -0.11 3.45 0.00 0.12 -1.89 119.26 122.88 1muq h ALA 27 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1muq h ALA 27 Cb 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1muq h ALA 27 CO 0.00 0.05 -0.15 1.49 0.00 0.00 0.00 179.25 180.64 1muq h GLU 28 N -0.79 -0.19 -0.46 0.00 4.22 -0.75 -0.38 114.58 116.24 1muq h GLU 28 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1muq h GLU 28 Cb 1.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1muq h GLU 28 CO 0.03 -0.12 0.30 0.52 -2.18 0.00 0.00 179.01 177.56 1muq h MET 29 N -0.19 0.60 -0.42 1.92 2.86 -1.34 0.23 114.93 118.59 1muq h MET 29 Ca 0.09 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1muq h MET 29 Cb 0.32 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1muq h MET 29 CO -0.22 0.40 -0.19 0.35 1.06 0.00 0.00 176.91 178.31 1muq h PHE 30 N 0.62 0.99 0.06 -0.22 3.04 -0.47 -0.79 116.94 120.18 1muq h PHE 30 Ca 0.17 -0.24 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1muq h PHE 30 Cb -0.07 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.21 1muq h PHE 30 CO 0.00 1.01 -0.03 0.00 -2.02 0.00 0.00 178.31 177.27 1muq h ARG 32 N -0.35 0.45 -0.33 0.00 3.08 -0.52 -0.59 114.38 116.12 1muq h ARG 32 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1muq h ARG 32 Cb 0.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1muq h ARG 32 CO 0.01 0.30 0.00 1.63 -1.07 0.00 0.00 179.97 180.84 1muq n LYS 33 N -4.49 2.28 0.00 0.04 4.76 -0.31 -4.05 118.16 116.39 1muq n LYS 33 Ca 0.15 -1.93 -0.15 0.00 -2.87 0.00 0.00 58.31 53.52 1muq n LYS 33 Cb 0.52 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 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 3.78 0.89 -1.18 2.13 5.03 0.26 -3.47 116.97 124.40 1muq h TYR 34 Ca 0.00 -0.39 0.21 0.00 2.58 0.00 0.00 58.73 61.13 1muq h TYR 34 Cb 0.83 -0.14 -0.26 0.00 1.55 0.00 0.00 36.73 38.71 1muq h TYR 34 CO 0.21 1.20 0.86 -1.59 -1.32 0.00 0.00 178.16 177.52 1muq s LYS 35 N -3.70 0.18 0.32 1.82 -2.85 -1.25 -5.12 119.74 109.15 1muq s LYS 35 Ca -0.09 0.04 -0.29 0.00 -1.00 0.00 0.00 55.97 54.63 1muq s LYS 35 Cb 0.09 0.09 -0.11 0.00 -2.06 0.00 0.00 37.83 35.84 1muq s LYS 35 CO 0.88 -0.06 1.52 -1.25 0.10 0.00 0.00 175.35 176.54 1muq s PRO 36 N -1.09 4.15 0.00 1.78 0.04 -1.26 -3.28 135.00 135.34 1muq s PRO 36 Ca 0.07 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1muq s PRO 36 Cb -0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1muq s PRO 36 CO -0.06 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1muq n GLY 37 N 1.52 0.95 3.47 0.56 0.00 -1.26 -4.77 105.19 105.66 1muq n GLY 37 Ca 0.05 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.10 0.89 0.31 0.00 3.76 -0.06 -3.40 115.29 115.68 1muq s HIS 39 Ca 0.17 -1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 53.60 1muq s HIS 39 Cb -0.10 0.08 -0.10 0.00 1.11 0.00 0.00 32.58 33.57 1muq s HIS 39 CO 0.09 -1.21 1.14 -0.51 -0.85 0.00 0.00 174.74 173.40 1muq s LEU 40 N -3.20 4.48 0.54 0.89 1.43 -1.26 0.14 118.68 121.69 1muq s LEU 40 Ca 0.28 2.34 -0.20 0.00 -1.03 0.00 0.00 54.13 55.52 1muq s LEU 40 Cb -0.01 -3.70 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1muq s LEU 40 CO 0.19 -0.28 0.71 0.00 0.23 0.00 0.00 176.35 177.20 1muq n ALA 41 N 0.95 -0.65 -2.43 4.21 0.00 0.07 -3.60 120.51 119.06 1muq n ALA 41 Ca -0.00 0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.22 1muq n ALA 41 Cb 0.45 -1.93 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 1muq n ALA 41 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1muq s SER 42 N -1.10 3.29 0.02 0.00 1.04 -1.26 -0.55 113.70 115.14 1muq s SER 42 Ca 0.69 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 56.36 1muq s SER 42 Cb -0.47 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.39 1muq s SER 42 CO 0.53 0.11 -0.22 -0.36 0.98 0.00 0.00 173.24 174.28 1muq s PHE 43 N -1.59 1.94 0.00 5.02 0.40 -1.26 -5.03 117.98 117.46 1muq s PHE 43 Ca 0.18 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 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 0.05 0.40 0.72 0.70 0.00 0.00 175.22 177.18 1muq n HIS 44 N 2.10 0.00 -3.55 0.36 8.25 -1.26 -4.55 115.22 116.57 1muq n HIS 44 Ca -0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1muq n HIS 44 Cb 0.53 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 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 0.84 0.26 -0.41 1.70 -1.26 -4.79 118.95 115.29 1muq s ARG 45 Ca 0.00 0.21 -0.03 0.00 -0.47 0.00 0.00 55.73 55.43 1muq s ARG 45 Cb 0.00 0.40 0.40 0.00 -0.57 0.00 0.00 34.95 35.18 1muq s ARG 45 CO 0.00 -0.26 1.85 -0.92 -1.08 0.00 0.00 175.30 174.89 1muq h TYR 46 N 2.79 1.06 -0.96 5.89 3.20 -2.00 -1.04 116.97 125.91 1muq h TYR 46 Ca -0.23 0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.83 1muq h TYR 46 Cb 1.15 -0.34 -0.09 0.00 1.54 0.00 0.00 36.73 38.99 1muq h TYR 46 CO 0.34 0.51 0.61 0.78 -1.64 0.00 0.00 178.16 178.75 1muq h GLY 47 N 1.01 1.47 1.06 1.82 0.00 -2.00 -1.19 103.07 105.25 1muq h GLY 47 Ca 0.42 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1muq h GLY 47 CO -0.20 0.05 -0.14 0.83 0.00 0.00 0.00 176.54 177.08 1muq h GLU 48 N 0.76 0.93 -0.53 4.80 5.08 -1.60 -1.68 114.58 122.34 1muq h GLU 48 Ca 0.51 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1muq h GLU 48 Cb 0.78 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1muq h GLU 48 CO -0.28 1.02 0.27 0.77 -1.00 0.00 0.00 179.01 179.80 1muq h SER 49 N 0.77 0.38 0.48 1.42 0.02 -1.11 0.55 113.55 116.07 1muq h SER 49 Ca 0.12 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1muq h SER 49 Cb 0.70 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1muq h SER 49 CO 0.05 0.26 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.70 1muq h LEU 50 N 0.52 -0.54 -0.19 5.07 3.38 -1.25 0.31 115.31 122.60 1muq h LEU 50 Ca 0.23 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1muq h LEU 50 Cb 0.15 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1muq h LEU 50 CO -0.16 -0.34 -0.12 -0.08 0.09 0.00 0.00 178.44 177.82 1muq h GLU 51 N -0.70 -0.11 -0.55 1.13 4.57 -1.05 0.10 114.58 117.97 1muq h GLU 51 Ca -0.07 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 1muq h GLU 51 Cb 0.52 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1muq h GLU 51 CO 0.11 -0.08 -0.03 0.82 -1.18 0.00 0.00 179.01 178.65 1muq h ILE 52 N -0.12 1.27 -0.43 2.32 1.08 -0.87 0.19 117.51 120.95 1muq h ILE 52 Ca 0.11 -1.16 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1muq h ILE 52 Cb 0.28 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1muq h ILE 52 CO -0.26 0.41 0.24 0.00 -0.69 0.00 0.00 178.15 177.86 1muq h ALA 53 N 0.95 0.54 -0.38 1.87 0.00 -0.01 0.40 119.26 122.63 1muq h ALA 53 Ca 0.15 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1muq h ALA 53 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1muq h ALA 53 CO 0.03 -0.09 -0.03 1.49 0.00 0.00 0.00 179.25 180.65 1muq h GLU 54 N 0.49 0.70 0.03 0.00 4.81 -0.81 -0.57 114.58 119.22 1muq h GLU 54 Ca 0.17 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1muq h GLU 54 Cb 0.03 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1muq h GLU 54 CO -0.09 0.81 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.93 1muq h TYR 55 N 0.51 -0.40 -0.55 0.92 -0.00 0.01 -0.97 116.97 116.48 1muq h TYR 55 Ca 0.10 0.01 0.01 0.00 -0.00 0.00 0.00 58.73 58.85 1muq h TYR 55 Cb 0.52 0.18 -0.03 0.00 -0.00 0.00 0.00 36.73 37.40 1muq h TYR 55 CO 0.04 -0.23 0.37 0.82 -0.00 0.00 0.00 178.16 179.16 1muq h ILE 56 N -0.27 1.14 -0.81 1.81 2.04 -0.09 0.33 117.51 121.65 1muq h ILE 56 Ca 0.04 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1muq h ILE 56 Cb 0.32 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1muq h ILE 56 CO -0.13 0.14 0.49 0.28 0.00 0.00 0.00 178.15 178.92 1muq h SER 57 N 0.74 0.74 0.12 1.72 0.02 -0.76 0.45 113.55 116.58 1muq h SER 57 Ca 0.20 0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.92 1muq h SER 57 Cb -0.08 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.35 1muq h SER 57 CO -0.05 0.46 -1.06 0.44 -1.14 0.00 0.00 176.83 175.49 1muq h ASP 58 N 0.87 0.81 0.00 3.07 3.32 -0.63 -3.39 116.42 120.46 1muq h ASP 58 Ca 0.36 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1muq h ASP 58 Cb 0.22 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1muq h ASP 58 CO -0.19 1.47 -1.77 -1.22 -1.72 0.00 0.00 179.24 175.81 1muq n TYR 59 N -3.81 0.00 -2.08 4.55 4.02 0.11 -4.93 117.16 115.02 1muq n TYR 59 Ca -0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.36 1muq n TYR 59 Cb 0.89 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 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 -3.15 2.04 -1.38 -0.72 2.46 0.16 -4.88 115.29 109.81 1muq s HIS 60 Ca -0.06 0.51 -0.11 0.00 0.47 0.00 0.00 55.06 55.87 1muq s HIS 60 Cb 0.11 -3.99 0.09 0.00 -0.13 0.00 0.00 32.58 28.66 1muq s HIS 60 CO 0.69 -3.06 2.16 1.63 -2.47 0.00 0.00 174.74 173.70 1muq n LYS 61 N 7.70 3.45 -3.08 2.88 5.02 -1.26 -4.82 118.16 128.05 1muq n LYS 61 Ca 0.19 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1muq n LYS 61 Cb 0.45 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 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 3.23 -0.82 0.00 0.72 0.00 -1.26 -4.97 105.19 102.09 1muq n GLY 62 Ca 0.50 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -1.76 1.61 7.27 -1.26 -5.11 117.38 118.13 1muq n GLN 63 Ca 0.00 -0.18 -0.29 0.00 0.07 0.00 0.00 57.00 56.60 1muq n GLN 63 Cb 0.00 -0.50 0.09 0.00 2.41 0.00 0.00 30.24 32.24 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 1.98 0.79 3.69 8.01 -1.26 -4.84 118.70 127.07 1muq s GLU 64 Ca 0.00 0.30 -0.12 0.00 0.01 0.00 0.00 54.97 55.17 1muq s GLU 64 Cb 0.00 -1.93 0.07 0.00 -4.31 0.00 0.00 34.13 27.95 1muq s GLU 64 CO 0.00 -1.62 1.13 -0.80 0.01 0.00 0.00 175.26 173.98 1muq s ASN 65 N -4.31 4.60 -0.13 -0.19 0.01 -1.26 -4.68 114.94 108.99 1muq s ASN 65 Ca 0.61 1.03 0.03 0.00 -0.71 0.00 0.00 52.86 53.82 1muq s ASN 65 Cb -0.12 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.86 1muq s ASN 65 CO 0.51 -1.87 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.33 1muq s VAL 66 N -3.37 1.95 0.40 1.60 1.01 -0.74 -1.78 120.40 119.47 1muq s VAL 66 Ca 0.61 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1muq s VAL 66 Cb -0.12 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 1muq s VAL 66 CO 0.52 0.53 1.16 0.26 0.00 0.00 0.00 175.10 177.57 1muq s TRP 67 N 0.78 3.08 0.22 5.22 0.23 -0.05 0.21 118.94 128.64 1muq s TRP 67 Ca -0.09 1.56 0.03 0.00 -2.03 0.00 0.00 56.10 55.57 1muq s TRP 67 Cb -0.16 -3.37 -0.05 0.00 0.03 0.00 0.00 33.47 29.92 1muq s TRP 67 CO -0.00 -1.26 0.00 0.96 0.96 0.00 0.00 176.95 177.61 1muq s ILE 68 N -1.43 0.91 -2.00 2.03 -4.36 -1.04 -2.19 121.20 113.12 1muq s ILE 68 Ca 0.57 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.96 1muq s ILE 68 Cb -0.30 -2.30 0.04 0.00 1.25 0.00 0.00 42.46 41.15 1muq s ILE 68 CO 0.38 -0.34 0.56 0.61 0.24 0.00 0.00 174.94 176.38 1muq n GLY 69 N -0.38 -0.47 3.67 6.27 0.00 0.28 -4.57 105.19 109.99 1muq n GLY 69 Ca -0.05 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.10 4.17 -0.10 0.99 2.96 -1.26 -1.31 118.68 123.03 1muq s LEU 70 Ca 0.02 0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1muq s LEU 70 Cb 0.01 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.89 1muq s LEU 70 CO 0.02 -0.21 0.27 -0.60 -1.32 0.00 0.00 176.35 174.51 1muq s ARG 71 N 1.61 0.31 -1.23 1.98 3.00 -0.84 -0.65 118.95 123.13 1muq s ARG 71 Ca 0.28 0.37 -0.14 0.00 -1.00 0.00 0.00 55.73 55.24 1muq s ARG 71 Cb -0.16 0.15 0.15 0.00 0.00 0.00 0.00 34.95 35.09 1muq s ARG 71 CO 0.11 -0.04 1.50 -3.47 0.00 0.00 0.00 175.30 173.40 1muq n ASP 72 N 2.97 5.17 -0.32 -2.12 2.03 0.56 -2.07 116.55 122.77 1muq n ASP 72 Ca -0.13 -2.97 0.07 0.00 0.52 0.00 0.00 54.79 52.28 1muq n ASP 72 Cb 0.58 -1.60 0.23 0.00 -0.72 0.00 0.00 41.12 39.61 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 7.15 0.76 -0.81 -0.67 3.64 -1.85 -1.12 116.57 123.68 1muq h LYS 73 Ca 0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1muq h LYS 73 Cb 0.86 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1muq h LYS 73 CO 1.29 0.50 0.04 1.63 -2.27 0.00 0.00 179.45 180.65 1muq n LYS 74 N -4.76 2.89 -1.99 1.90 5.02 -1.26 -4.90 118.16 115.06 1muq n LYS 74 Ca 0.18 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1muq n LYS 74 Cb 0.40 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.24 -2.37 -1.57 1.97 5.02 -0.43 -4.72 118.16 116.31 1muq n LYS 75 Ca 0.17 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.43 1muq n LYS 75 Cb 0.80 -3.97 0.09 0.00 -0.02 0.00 0.00 35.03 31.93 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 -0.83 2.35 -1.62 4.39 5.75 -1.26 -4.96 116.55 120.37 1muq n ASP 76 Ca 0.00 -3.09 -0.14 0.00 -0.01 0.00 0.00 54.79 51.55 1muq n ASP 76 Cb 0.35 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 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 -0.55 -0.69 -3.49 2.11 3.01 -1.26 -4.97 117.46 111.61 1muq n PHE 77 Ca 0.20 0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 1muq n PHE 77 Cb 0.89 -3.01 -0.06 0.00 -0.01 0.00 0.00 39.48 37.29 1muq n PHE 77 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1muq s SER 78 N -2.39 6.07 0.04 4.37 1.04 -1.26 -5.05 113.70 116.52 1muq s SER 78 Ca 0.01 -2.62 -0.30 0.00 0.48 0.00 0.00 55.95 53.52 1muq s SER 78 Cb -0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1muq s SER 78 CO 0.01 -0.53 1.00 0.26 0.98 0.00 0.00 173.24 174.97 1muq s TRP 79 N 0.28 3.67 -0.01 5.02 0.52 -1.26 -3.93 118.94 123.23 1muq s TRP 79 Ca 0.15 1.68 0.01 0.00 0.02 0.00 0.00 56.10 57.97 1muq s TRP 79 Cb -0.17 -3.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 1muq s TRP 79 CO -0.05 -0.10 -0.05 -1.21 0.02 0.00 0.00 176.95 175.56 1muq s GLU 80 N 0.71 0.44 0.23 4.98 2.02 -0.88 -4.81 118.70 121.39 1muq s GLU 80 Ca 0.51 -0.15 -0.29 0.00 0.02 0.00 0.00 54.97 55.06 1muq s GLU 80 Cb -0.23 -0.45 -0.09 0.00 0.10 0.00 0.00 34.13 33.46 1muq s GLU 80 CO 0.29 0.07 0.92 -1.58 0.02 0.00 0.00 175.26 174.97 1muq s TRP 81 N 0.09 3.98 0.39 1.61 0.52 -1.26 -1.99 118.94 122.27 1muq s TRP 81 Ca -0.01 1.88 0.16 0.00 0.02 0.00 0.00 56.10 58.15 1muq s TRP 81 Cb -0.04 -2.95 0.93 0.00 -1.15 0.00 0.00 33.47 30.25 1muq s TRP 81 CO -0.00 0.46 1.91 1.79 0.02 0.00 0.00 176.95 181.13 1muq h THR 82 N 3.19 1.08 -0.08 2.01 1.35 -1.50 -1.76 112.91 117.20 1muq h THR 82 Ca -0.45 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1muq h THR 82 Cb 1.20 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1muq h THR 82 CO 0.68 0.27 0.00 -0.90 -0.25 0.00 0.00 175.52 175.32 1muq n ASP 83 N -4.04 1.40 -0.32 5.36 5.75 -1.26 -4.84 116.55 118.60 1muq n ASP 83 Ca -0.02 -2.10 -0.03 0.00 -0.01 0.00 0.00 54.79 52.63 1muq n ASP 83 Cb 0.34 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.02 -1.86 -1.10 0.11 1.74 -0.66 -4.93 116.66 109.99 1muq n ARG 84 Ca 0.03 0.50 -0.29 0.00 -0.77 0.00 0.00 57.85 57.32 1muq n ARG 84 Cb 0.32 -4.57 0.21 0.00 -1.02 0.00 0.00 32.46 27.40 1muq n ARG 84 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1muq s SER 85 N -1.69 1.63 0.21 0.55 1.04 -1.26 -4.98 113.70 109.20 1muq s SER 85 Ca 0.00 0.90 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 1muq s SER 85 Cb 0.00 -1.36 -0.08 0.00 0.10 0.00 0.00 66.02 64.68 1muq s SER 85 CO 0.00 -3.71 0.69 0.00 0.98 0.00 0.00 173.24 171.20 1muq s THR 87 N -1.52 4.93 -0.08 0.00 2.01 -1.26 -4.61 115.64 115.11 1muq s THR 87 Ca 0.42 -2.37 0.12 0.00 0.31 0.00 0.00 61.69 60.16 1muq s THR 87 Cb -0.16 -4.89 0.18 0.00 0.01 0.00 0.00 72.50 67.63 1muq s THR 87 CO 0.21 -1.61 1.09 -0.90 -0.69 0.00 0.00 174.62 172.71 1muq n ASP 88 N 5.96 2.21 -3.66 3.53 3.85 -1.26 -4.98 116.55 122.20 1muq n ASP 88 Ca 0.34 -2.68 -0.08 0.00 -0.71 0.00 0.00 54.79 51.67 1muq n ASP 88 Cb 0.44 -0.27 -0.08 0.00 -1.35 0.00 0.00 41.12 39.87 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 -2.16 -0.95 -0.07 2.11 5.04 -1.26 -4.97 117.35 115.09 1muq s TYR 89 Ca 0.20 1.88 -0.03 0.00 -2.44 0.00 0.00 57.07 56.68 1muq s TYR 89 Cb 0.17 0.53 0.04 0.00 0.35 0.00 0.00 41.96 43.06 1muq s TYR 89 CO 0.02 -0.49 0.15 -0.51 -1.34 0.00 0.00 175.55 173.38 1muq s LEU 90 N 1.73 0.43 -0.55 6.97 1.43 -1.26 -4.85 118.68 122.58 1muq s LEU 90 Ca -0.09 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1muq s LEU 90 Cb -0.07 0.32 0.32 0.00 0.03 0.00 0.00 46.19 46.79 1muq s LEU 90 CO -0.17 -0.18 0.86 1.07 0.23 0.00 0.00 176.35 178.15 1muq n THR 91 N 4.62 2.27 -1.85 5.49 5.66 -1.26 -5.09 114.28 124.13 1muq n THR 91 Ca -0.18 -5.29 -0.41 0.00 -3.05 0.00 0.00 64.05 55.12 1muq n THR 91 Cb 0.51 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 -3.01 2.61 0.64 1.09 0.52 -1.26 -1.23 118.94 118.29 1muq s TRP 92 Ca 0.45 1.23 -0.12 0.00 0.02 0.00 0.00 56.10 57.69 1muq s TRP 92 Cb 0.26 -3.94 -0.02 0.00 -1.15 0.00 0.00 33.47 28.62 1muq s TRP 92 CO -0.10 -2.81 1.04 0.34 0.02 0.00 0.00 176.95 175.44 1muq s ASP 93 N -0.32 5.86 0.06 2.95 2.15 0.21 -4.61 116.67 122.97 1muq s ASP 93 Ca 0.55 1.55 -0.37 0.00 0.43 0.00 0.00 52.55 54.70 1muq s ASP 93 Cb -0.45 -2.49 -0.18 0.00 -0.30 0.00 0.00 42.92 39.51 1muq s ASP 93 CO 0.59 -1.12 1.16 1.17 -0.17 0.00 0.00 175.17 176.80 1muq n LYS 94 N -2.77 0.59 -0.89 4.34 4.81 -1.26 -0.90 118.16 122.08 1muq n LYS 94 Ca 0.07 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1muq n LYS 94 Cb 0.54 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 1.99 -2.16 -4.68 3.14 5.03 -1.26 -5.00 115.26 112.31 1muq n ASN 95 Ca 0.19 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.36 1muq n ASN 95 Cb 0.15 -1.48 -0.08 0.00 -1.02 0.00 0.00 39.78 37.36 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 -0.67 2.48 0.60 3.52 -1.52 -0.08 -4.22 119.66 119.78 1muq s GLN 96 Ca 0.00 -1.03 -0.10 0.00 -1.95 0.00 0.00 55.36 52.29 1muq s GLN 96 Cb 0.00 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 30.33 1muq s GLN 96 CO 0.00 0.48 0.99 -1.25 -0.25 0.00 0.00 175.29 175.26 1muq s PRO 97 N -2.83 3.50 0.00 2.91 0.04 -1.26 -4.60 135.00 132.76 1muq s PRO 97 Ca 0.27 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1muq s PRO 97 Cb -0.10 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1muq s PRO 97 CO 0.19 -0.56 0.00 -0.40 0.04 0.00 0.00 177.00 176.27 1muq n ASP 98 N -2.69 1.70 -3.10 6.66 5.75 -1.26 -5.02 116.55 118.58 1muq n ASP 98 Ca 0.05 -0.01 -0.16 0.00 -0.01 0.00 0.00 54.79 54.66 1muq n ASP 98 Cb 0.55 0.35 0.07 0.00 -1.03 0.00 0.00 41.12 41.06 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 -0.52 -2.04 -1.66 2.11 8.25 -1.26 -4.83 115.22 115.26 1muq n HIS 99 Ca 0.00 0.82 -0.54 0.00 -0.26 0.00 0.00 57.72 57.75 1muq n HIS 99 Cb 0.00 -4.60 -0.06 0.00 1.12 0.00 0.00 29.99 26.45 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 -3.95 1.90 -2.28 4.41 -0.00 -1.26 0.76 117.16 116.75 1muq n TYR 100 Ca -0.18 0.49 -0.17 0.00 -0.00 0.00 0.00 57.90 58.05 1muq n TYR 100 Cb 0.62 -2.44 -0.02 0.00 -0.00 0.00 0.00 39.34 37.50 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 4.30 -1.86 -4.00 2.98 6.02 -1.26 -2.19 117.38 121.37 1muq n GLN 101 Ca 0.22 0.84 -0.32 0.00 -0.01 0.00 0.00 57.00 57.73 1muq n GLN 101 Cb 0.18 -5.43 -0.05 0.00 1.02 0.00 0.00 30.24 25.97 1muq n GLN 101 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1muq n ASN 102 N -1.76 -2.24 -0.82 1.08 3.02 0.23 -4.77 115.26 110.00 1muq n ASN 102 Ca -0.19 -0.81 0.03 0.00 -0.03 0.00 0.00 54.58 53.58 1muq n ASN 102 Cb 0.64 -1.92 0.04 0.00 -0.61 0.00 0.00 39.78 37.93 1muq n ASN 102 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1muq n LYS 103 N -3.82 0.25 -3.87 3.52 5.02 -0.93 -5.01 118.16 113.31 1muq n LYS 103 Ca 0.08 -1.69 -0.30 0.00 -2.02 0.00 0.00 58.31 54.38 1muq n LYS 103 Cb 0.48 -0.50 -0.15 0.00 -0.02 0.00 0.00 35.03 34.83 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 -0.53 1.25 0.00 1.97 2.02 -1.25 -3.83 118.70 118.32 1muq s GLU 104 Ca 0.18 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1muq s GLU 104 Cb 0.20 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1muq s GLU 104 CO -0.06 -0.75 0.19 1.19 0.02 0.00 0.00 175.26 175.85 1muq n PHE 105 N 4.70 0.00 -4.51 1.61 3.01 -1.10 -4.26 117.46 116.92 1muq n PHE 105 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.06 1muq n PHE 105 Cb 0.44 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.02 4.57 0.07 0.00 1.01 0.18 0.28 120.40 126.53 1muq s VAL 107 Ca -0.00 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.18 1muq s VAL 107 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1muq s VAL 107 CO 0.03 0.01 -0.03 -1.83 0.00 0.00 0.00 175.10 173.28 1muq s GLU 108 N -2.46 0.69 -0.16 2.72 -1.05 -0.68 -2.50 118.70 115.26 1muq s GLU 108 Ca 0.49 -1.27 -0.19 0.00 -0.15 0.00 0.00 54.97 53.85 1muq s GLU 108 Cb -0.14 0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.63 1muq s GLU 108 CO 0.19 -0.10 0.54 -0.51 0.95 0.00 0.00 175.26 176.33 1muq s LEU 109 N -2.96 4.20 -0.29 1.83 1.43 0.56 -2.18 118.68 121.27 1muq s LEU 109 Ca 0.10 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 1muq s LEU 109 Cb 0.07 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1muq s LEU 109 CO -0.08 -0.14 1.15 -0.69 0.23 0.00 0.00 176.35 176.82 1muq s VAL 110 N 1.32 4.41 0.15 -1.59 1.01 0.02 -1.78 120.40 123.95 1muq s VAL 110 Ca 0.27 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.71 1muq s VAL 110 Cb -0.16 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.97 1muq s VAL 110 CO 0.11 -0.41 1.69 -1.28 0.00 0.00 0.00 175.10 175.21 1muq h SER 111 N 8.33 -0.24 -0.00 3.32 0.87 -1.88 -0.48 113.55 123.47 1muq h SER 111 Ca -0.22 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1muq h SER 111 Cb 1.07 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1muq h SER 111 CO 1.02 -0.08 0.00 -0.07 -0.53 0.00 0.00 176.83 177.17 1muq h LEU 112 N 0.04 0.00 -1.83 2.23 3.38 -1.92 0.33 115.31 117.54 1muq h LEU 112 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1muq h LEU 112 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1muq h LEU 112 CO -0.31 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.57 1muq n THR 113 N -3.11 0.61 -1.84 0.22 -2.24 -0.67 -4.89 114.28 102.36 1muq n THR 113 Ca -0.03 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.02 1muq n THR 113 Cb 0.07 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.31 0.37 2.67 3.38 0.00 0.12 -3.06 105.19 109.98 1muq n GLY 114 Ca 0.17 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.57 -1.42 -0.07 1.61 4.02 -0.28 -4.67 117.16 112.79 1muq n TYR 115 Ca -0.09 0.33 -0.07 0.00 -0.01 0.00 0.00 57.90 58.06 1muq n TYR 115 Cb 0.47 -3.74 -0.10 0.00 -0.02 0.00 0.00 39.34 35.95 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 -3.22 1.69 -4.24 -0.72 1.74 -1.17 -4.17 116.66 106.56 1muq n ARG 116 Ca -0.11 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.71 1muq n ARG 116 Cb 0.61 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 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 -5.08 3.23 0.37 0.55 1.43 -1.26 -4.92 118.68 113.00 1muq s LEU 117 Ca -0.08 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1muq s LEU 117 Cb 0.04 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1muq s LEU 117 CO 0.52 0.08 0.47 0.26 0.23 0.00 0.00 176.35 177.91 1muq s TRP 118 N -1.83 2.95 -0.25 0.29 0.51 -0.37 -0.80 118.94 119.44 1muq s TRP 118 Ca 0.28 -0.32 -0.24 0.00 -2.12 0.00 0.00 56.10 53.70 1muq s TRP 118 Cb -0.09 -2.11 0.07 0.00 -0.81 0.00 0.00 33.47 30.52 1muq s TRP 118 CO 0.18 -0.13 0.68 1.21 -0.51 0.00 0.00 176.95 178.38 1muq s ASN 119 N -4.21 -0.71 0.28 2.95 2.47 -0.93 0.63 114.94 115.44 1muq s ASN 119 Ca 0.48 1.37 -0.29 0.00 0.42 0.00 0.00 52.86 54.84 1muq s ASN 119 Cb -0.09 1.38 -0.09 0.00 -1.45 0.00 0.00 41.25 41.00 1muq s ASN 119 CO 0.31 -0.24 1.01 1.51 -3.72 0.00 0.00 177.10 175.98 1muq s ASP 120 N 0.36 7.36 0.13 -4.21 -4.77 -1.26 -1.68 116.67 112.60 1muq s ASP 120 Ca -0.00 2.07 -0.06 0.00 -3.30 0.00 0.00 52.55 51.25 1muq s ASP 120 Cb -0.05 -2.61 -0.02 0.00 -1.09 0.00 0.00 42.92 39.16 1muq s ASP 120 CO 0.01 -0.06 0.19 -1.58 0.70 0.00 0.00 175.17 174.43 1muq s GLN 121 N -1.54 1.00 -0.27 2.11 2.00 0.14 -4.88 119.66 118.22 1muq s GLN 121 Ca 0.45 -1.20 -0.28 0.00 -2.00 0.00 0.00 55.36 52.34 1muq s GLN 121 Cb -0.27 0.33 -0.05 0.00 0.80 0.00 0.00 33.01 33.82 1muq s GLN 121 CO 0.34 -0.33 2.24 0.08 -0.50 0.00 0.00 175.29 177.12 1muq s VAL 122 N -3.96 3.02 0.58 1.34 1.01 -1.25 -2.50 120.40 118.64 1muq s VAL 122 Ca 0.15 0.02 0.32 0.00 0.00 0.00 0.00 61.98 62.48 1muq s VAL 122 Cb 0.05 -3.04 0.45 0.00 0.00 0.00 0.00 36.38 33.84 1muq s VAL 122 CO -0.03 -0.03 1.69 0.00 0.00 0.00 0.00 175.10 176.73 1muq n GLU 124 N -3.70 0.23 -0.64 0.00 -0.58 -1.26 -0.92 120.64 113.76 1muq n GLU 124 Ca 0.19 0.33 -0.30 0.00 -0.42 0.00 0.00 57.16 56.96 1muq n GLU 124 Cb 1.14 -1.84 0.19 0.00 -0.57 0.00 0.00 31.44 30.36 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 -4.38 2.35 -0.29 1.62 0.01 0.67 -4.70 113.70 108.98 1muq s SER 125 Ca 0.07 2.02 -0.01 0.00 1.31 0.00 0.00 55.95 59.34 1muq s SER 125 Cb 0.11 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.88 1muq s SER 125 CO 0.48 -3.43 -0.03 -0.54 0.41 0.00 0.00 173.24 170.14 1muq s LYS 126 N -4.59 2.40 0.46 12.44 -0.14 -1.26 -3.53 119.74 125.51 1muq s LYS 126 Ca 0.67 -1.27 0.03 0.00 -1.36 0.00 0.00 55.97 54.04 1muq s LYS 126 Cb -0.23 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 1muq s LYS 126 CO 0.60 -0.60 0.03 -0.51 -0.76 0.00 0.00 175.35 174.11 1muq s ASP 127 N 1.22 3.71 0.81 2.83 1.01 -0.72 -4.69 116.67 120.85 1muq s ASP 127 Ca -0.06 -1.57 -0.08 0.00 0.71 0.00 0.00 52.55 51.55 1muq s ASP 127 Cb -0.20 0.25 0.14 0.00 1.01 0.00 0.00 42.92 44.12 1muq s ASP 127 CO -0.02 -0.75 1.13 0.00 0.21 0.00 0.00 175.17 175.74 1muq s ALA 128 N -2.93 2.97 0.08 5.23 0.00 -0.74 -1.30 121.76 125.08 1muq s ALA 128 Ca 0.18 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1muq s ALA 128 Cb 0.04 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1muq s ALA 128 CO 0.09 -1.80 0.26 -0.59 0.00 0.00 0.00 175.76 173.72 1muq s PHE 129 N -3.47 0.01 -0.32 0.00 -0.71 -0.52 -0.87 117.98 112.10 1muq s PHE 129 Ca 0.68 -0.31 -0.08 0.00 -1.04 0.00 0.00 56.93 56.17 1muq s PHE 129 Cb -0.06 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1muq s PHE 129 CO 0.48 -0.55 0.12 -1.17 -1.34 0.00 0.00 175.22 172.76 1muq s LEU 130 N -2.54 4.12 0.28 -1.99 0.20 -0.93 0.81 118.68 118.63 1muq s LEU 130 Ca 0.01 -0.81 -0.05 0.00 0.69 0.00 0.00 54.13 53.97 1muq s LEU 130 Cb 0.02 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 1muq s LEU 130 CO -0.08 -0.25 0.54 0.00 -0.29 0.00 0.00 176.35 176.27 1muq s GLN 132 N -3.48 1.16 0.05 0.00 0.74 0.12 -1.31 119.66 116.94 1muq s GLN 132 Ca 0.44 -0.24 -0.00 0.00 0.05 0.00 0.00 55.36 55.60 1muq s GLN 132 Cb -0.11 -1.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.92 1muq s GLN 132 CO 0.29 -0.02 -0.04 0.00 -0.55 0.00 0.00 175.29 174.98 1muq s LYS 134 N -3.46 3.52 0.00 0.00 1.02 -1.10 -0.73 119.74 118.99 1muq s LYS 134 Ca 0.04 -0.53 0.10 0.00 0.02 0.00 0.00 55.97 55.59 1muq s LYS 134 Cb 0.04 -2.85 0.08 0.00 -0.52 0.00 0.00 37.83 34.58 1muq s LYS 134 CO -0.07 0.31 0.80 1.19 -0.92 0.00 0.00 175.35 176.66