#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwe n MET 3 N 0.00 0.14 -0.11 5.31 0.00 -1.26 -2.25 117.12 118.95 1nwe n MET 3 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 57.70 57.54 1nwe n MET 3 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 31.61 1nwe n MET 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1nwe n GLU 4 N -1.41 0.64 -0.31 0.03 2.13 -1.26 -2.86 120.64 117.59 1nwe n GLU 4 Ca 0.09 0.11 -0.03 0.00 0.66 0.00 0.00 57.16 57.99 1nwe n GLU 4 Cb 0.31 -1.44 0.09 0.00 0.27 0.00 0.00 31.44 30.67 1nwe n GLU 4 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1nwe h LYS 5 N 0.00 1.09 -0.84 5.31 1.57 -1.99 0.51 116.57 122.22 1nwe h LYS 5 Ca -0.49 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1nwe h LYS 5 Cb 1.81 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.83 1nwe h LYS 5 CO -0.06 0.72 0.52 1.49 -0.57 0.00 0.00 179.45 181.55 1nwe h GLU 6 N 1.13 1.13 0.44 3.15 4.81 -1.63 -1.15 114.58 122.46 1nwe h GLU 6 Ca 0.32 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1nwe h GLU 6 Cb -0.10 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.04 1nwe h GLU 6 CO -0.08 0.79 -0.21 0.35 -0.73 0.00 0.00 179.01 179.13 1nwe h PHE 7 N 1.15 -0.54 -0.85 0.92 3.04 -1.10 -2.33 116.94 117.23 1nwe h PHE 7 Ca 0.30 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 1nwe h PHE 7 Cb -0.07 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 1nwe h PHE 7 CO -0.01 -0.22 0.50 0.93 -2.02 0.00 0.00 178.31 177.49 1nwe h GLU 8 N -0.88 1.16 -0.62 1.11 4.39 -0.05 -0.25 114.58 119.44 1nwe h GLU 8 Ca -0.06 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1nwe h GLU 8 Cb 0.56 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1nwe h GLU 8 CO 0.10 0.82 0.39 0.37 -1.16 0.00 0.00 179.01 179.53 1nwe h GLN 9 N 1.17 0.82 -0.12 2.33 4.15 -1.20 0.72 115.11 122.99 1nwe h GLN 9 Ca 0.30 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.48 1nwe h GLN 9 Cb -0.03 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.47 1nwe h GLN 9 CO -0.06 0.56 -0.68 0.82 -1.93 0.00 0.00 178.83 177.55 1nwe h ILE 10 N 0.83 1.35 0.28 2.39 2.04 -1.06 -2.82 117.51 120.53 1nwe h ILE 10 Ca 0.22 -2.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 1nwe h ILE 10 Cb -0.07 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1nwe h ILE 10 CO -0.05 0.61 -0.14 -0.78 0.00 0.00 0.00 178.15 177.80 1nwe h ASP 11 N 0.36 -0.32 0.41 1.72 3.58 -0.72 0.24 116.42 121.68 1nwe h ASP 11 Ca -0.02 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 1nwe h ASP 11 Cb 1.25 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1nwe h ASP 11 CO 0.12 0.16 -0.31 0.11 -2.88 0.00 0.00 179.24 176.45 1nwe h LYS 12 N -0.98 -0.69 -0.04 0.28 6.56 -1.01 -1.88 116.57 118.81 1nwe h LYS 12 Ca -0.04 0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 1nwe h LYS 12 Cb 0.47 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1nwe h LYS 12 CO 0.06 -0.46 -0.07 0.66 -2.06 0.00 0.00 179.45 177.58 1nwe h SER 13 N -0.71 0.06 -2.25 0.86 4.64 -1.48 -3.47 113.55 111.20 1nwe h SER 13 Ca -0.04 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1nwe h SER 13 Cb 0.61 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1nwe h SER 13 CO -0.00 0.14 -0.05 0.61 -0.87 0.00 0.00 176.83 176.66 1nwe n GLY 14 N -1.24 0.39 0.72 -0.77 0.00 0.74 -5.02 105.19 100.01 1nwe n GLY 14 Ca -0.02 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.60 1nwe n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwe n SER 15 N -1.14 1.84 -0.32 1.61 3.41 -0.62 -4.75 113.62 113.66 1nwe n SER 15 Ca -0.02 -3.81 -0.02 0.00 -0.26 0.00 0.00 58.87 54.76 1nwe n SER 15 Cb 0.51 -0.51 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1nwe n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1nwe h TRP 16 N 1.07 1.06 -0.87 7.33 4.06 -1.95 0.20 115.95 126.86 1nwe h TRP 16 Ca 0.01 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 1nwe h TRP 16 Cb 1.07 -0.36 -0.04 0.00 -1.00 0.00 0.00 29.16 28.83 1nwe h TRP 16 CO 0.74 0.64 0.43 0.00 -3.56 0.00 0.00 178.44 176.69 1nwe h ALA 17 N 1.34 1.13 -0.30 1.49 0.00 -1.89 -0.37 119.26 120.67 1nwe h ALA 17 Ca 0.33 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1nwe h ALA 17 Cb -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1nwe h ALA 17 CO -0.10 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.38 1nwe h ALA 18 N 1.25 0.45 -0.27 0.00 0.00 -1.67 -1.00 119.26 118.01 1nwe h ALA 18 Ca 0.30 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1nwe h ALA 18 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nwe h ALA 18 CO -0.04 0.59 -0.05 0.82 0.00 0.00 0.00 179.25 180.57 1nwe h ILE 19 N 0.59 1.19 -0.03 0.00 1.08 -0.48 -2.04 117.51 117.83 1nwe h ILE 19 Ca 0.03 -0.78 -0.24 0.00 -0.39 0.00 0.00 64.86 63.47 1nwe h ILE 19 Cb 1.04 1.04 0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1nwe h ILE 19 CO 0.10 0.26 -0.95 0.22 -0.69 0.00 0.00 178.15 177.09 1nwe h TYR 20 N 0.41 0.89 -0.43 1.37 3.20 -0.84 -2.78 116.97 118.78 1nwe h TYR 20 Ca 0.09 -0.46 -0.05 0.00 3.14 0.00 0.00 58.73 61.44 1nwe h TYR 20 Cb 0.34 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1nwe h TYR 20 CO 0.01 1.29 0.07 0.37 -1.64 0.00 0.00 178.16 178.26 1nwe h GLN 21 N 0.36 0.67 -0.49 1.82 5.75 -0.97 0.58 115.11 122.83 1nwe h GLN 21 Ca -0.10 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1nwe h GLN 21 Cb 1.59 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 30.01 1nwe h GLN 21 CO 0.18 0.64 0.33 -0.44 -2.65 0.00 0.00 178.83 176.89 1nwe h ASP 22 N 0.64 0.32 -0.01 -0.69 3.32 -1.10 0.48 116.42 119.38 1nwe h ASP 22 Ca 0.14 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1nwe h ASP 22 Cb 0.30 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.79 1nwe h ASP 22 CO 0.00 0.20 -0.26 0.40 -1.72 0.00 0.00 179.24 177.86 1nwe h ILE 23 N 0.36 1.53 -0.88 0.35 2.04 -0.84 -2.81 117.51 117.26 1nwe h ILE 23 Ca 0.22 -1.93 0.08 0.00 1.00 0.00 0.00 64.86 64.24 1nwe h ILE 23 Cb 0.41 2.73 -0.07 0.00 -0.74 0.00 0.00 36.82 39.14 1nwe h ILE 23 CO -0.05 0.53 0.53 -0.09 0.00 0.00 0.00 178.15 179.07 1nwe h ARG 24 N -0.47 0.89 -0.68 2.37 2.43 0.07 0.14 114.38 119.13 1nwe h ARG 24 Ca -0.03 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1nwe h ARG 24 Cb 1.01 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1nwe h ARG 24 CO 0.05 0.59 0.11 1.25 -1.51 0.00 0.00 179.97 180.46 1nwe h HIS 25 N 0.92 1.19 0.00 2.20 2.76 -0.15 -3.25 115.15 118.82 1nwe h HIS 25 Ca 0.41 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1nwe h HIS 25 Cb 0.30 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1nwe h HIS 25 CO -0.04 0.99 -0.66 0.93 -1.30 0.00 0.00 177.93 177.85 1nwe h GLU 26 N 1.05 0.00 -6.86 5.26 5.08 -1.06 -3.47 114.58 114.57 1nwe h GLU 26 Ca 0.21 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.00 1nwe h GLU 26 Cb 0.44 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.84 1nwe h GLU 26 CO 0.01 0.00 0.34 0.00 -1.00 0.00 0.00 179.01 178.37 1nwe n ALA 27 N -1.94 0.81 -1.56 3.43 0.00 -0.04 -4.95 120.51 116.25 1nwe n ALA 27 Ca 0.02 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 1nwe n ALA 27 Cb 0.48 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.78 1nwe n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nwe s SER 28 N -0.93 4.80 -0.16 0.00 0.01 -1.26 -5.05 113.70 111.11 1nwe s SER 28 Ca 0.70 2.31 -0.01 0.00 1.31 0.00 0.00 55.95 60.26 1nwe s SER 28 Cb -0.46 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.23 1nwe s SER 28 CO 0.51 -1.86 -0.04 -0.62 0.41 0.00 0.00 173.24 171.65 1nwe s ASP 29 N -1.93 2.71 0.15 2.44 -1.08 -1.26 -4.93 116.67 112.78 1nwe s ASP 29 Ca 0.74 -0.62 0.07 0.00 -0.52 0.00 0.00 52.55 52.22 1nwe s ASP 29 Cb -0.28 -0.83 -0.04 0.00 -1.46 0.00 0.00 42.92 40.30 1nwe s ASP 29 CO 0.39 -0.20 -0.14 -0.36 0.52 0.00 0.00 175.17 175.38 1nwe s PHE 30 N 1.69 1.52 0.32 -5.34 0.08 -1.26 -5.13 117.98 109.87 1nwe s PHE 30 Ca 0.01 -0.58 -0.29 0.00 0.12 0.00 0.00 56.93 56.19 1nwe s PHE 30 Cb -0.15 -0.76 -0.10 0.00 -0.57 0.00 0.00 43.02 41.43 1nwe s PHE 30 CO -0.07 0.22 1.33 -2.14 -0.10 0.00 0.00 175.22 174.46 1nwe s PRO 31 N -3.10 4.33 -0.32 0.24 0.02 -1.26 -4.89 135.00 130.02 1nwe s PRO 31 Ca 0.15 2.25 0.07 0.00 0.02 0.00 0.00 61.00 63.48 1nwe s PRO 31 Cb -0.03 -3.07 0.45 0.00 0.02 0.00 0.00 34.50 31.87 1nwe s PRO 31 CO 0.04 -0.24 1.19 0.43 -0.33 0.00 0.00 177.00 178.09 1nwe n SER 32 N 0.99 4.94 0.09 2.53 7.64 -1.26 -1.58 113.62 126.96 1nwe n SER 32 Ca 0.01 -3.75 0.07 0.00 1.01 0.00 0.00 58.87 56.21 1nwe n SER 32 Cb 0.41 -0.37 0.53 0.00 -1.01 0.00 0.00 64.21 63.77 1nwe n SER 32 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nwe h ARG 33 N 2.24 0.29 -0.10 1.43 3.08 -1.93 -1.76 114.38 117.63 1nwe h ARG 33 Ca 0.36 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.18 1nwe h ARG 33 Cb 1.44 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.43 1nwe h ARG 33 CO 0.78 0.19 -0.76 0.28 -1.07 0.00 0.00 179.97 179.40 1nwe h VAL 34 N 0.30 1.31 0.00 2.04 2.07 -1.92 -3.18 116.25 116.87 1nwe h VAL 34 Ca 0.11 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.58 1nwe h VAL 34 Cb 0.06 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1nwe h VAL 34 CO -0.02 0.62 -0.24 0.00 0.02 0.00 0.00 177.57 177.94 1nwe h ALA 35 N 0.49 1.24 -0.00 1.67 0.00 -1.64 -3.04 119.26 117.97 1nwe h ALA 35 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nwe h ALA 35 Cb 1.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nwe h ALA 35 CO 0.15 0.30 -0.36 1.63 0.00 0.00 0.00 179.25 180.98 1nwe n LYS 36 N -3.73 0.54 -1.84 0.00 4.76 -0.81 -4.68 118.16 112.40 1nwe n LYS 36 Ca -0.01 -0.32 -0.41 0.00 -2.87 0.00 0.00 58.31 54.70 1nwe n LYS 36 Cb 0.35 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1nwe n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nwe s LEU 37 N -2.68 4.34 0.54 -0.35 1.43 -1.15 -4.89 118.68 115.92 1nwe s LEU 37 Ca 0.19 2.97 0.26 0.00 -1.03 0.00 0.00 54.13 56.52 1nwe s LEU 37 Cb 0.19 -3.66 1.44 0.00 0.03 0.00 0.00 46.19 44.19 1nwe s LEU 37 CO 0.59 -0.84 2.01 -0.65 0.23 0.00 0.00 176.35 177.69 1nwe h PRO 38 N 3.55 0.00 0.00 1.29 0.11 -1.92 -0.29 132.00 134.74 1nwe h PRO 38 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nwe h PRO 38 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nwe h PRO 38 CO 0.68 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.04 1nwe h LYS 39 N 0.00 0.00 -0.57 1.05 2.10 -1.95 -2.94 116.57 114.25 1nwe h LYS 39 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1nwe h LYS 39 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1nwe h LYS 39 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1nwe n ASN 40 N -2.65 3.86 -0.30 7.07 3.02 -0.13 -4.59 115.26 121.53 1nwe n ASN 40 Ca 0.03 -2.18 -0.04 0.00 -0.03 0.00 0.00 54.58 52.36 1nwe n ASN 40 Cb 0.35 -0.44 0.08 0.00 -0.61 0.00 0.00 39.78 39.16 1nwe n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1nwe h LYS 41 N 3.41 1.11 -0.40 3.52 3.64 -1.43 -2.25 116.57 124.17 1nwe h LYS 41 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1nwe h LYS 41 Cb 1.06 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1nwe h LYS 41 CO 0.07 0.77 0.00 0.27 -2.27 0.00 0.00 179.45 178.29 1nwe n ASN 42 N -4.47 1.35 -0.30 4.20 0.23 -1.26 -3.43 115.26 111.58 1nwe n ASN 42 Ca 0.08 -2.07 0.06 0.00 -0.53 0.00 0.00 54.58 52.12 1nwe n ASN 42 Cb 0.04 -0.25 0.01 0.00 -2.08 0.00 0.00 39.78 37.50 1nwe n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1nwe n ARG 43 N 0.08 1.71 -4.39 -3.83 1.74 -0.85 -4.90 116.66 106.22 1nwe n ARG 43 Ca 0.06 -0.77 -0.34 0.00 -0.77 0.00 0.00 57.85 56.04 1nwe n ARG 43 Cb 0.26 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 1nwe n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nwe s ASN 44 N -1.37 4.82 0.00 0.55 0.01 -1.22 -4.44 114.94 113.29 1nwe s ASN 44 Ca 0.10 -0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 51.90 1nwe s ASN 44 Cb 0.09 -1.79 -0.18 0.00 0.41 0.00 0.00 41.25 39.78 1nwe s ASN 44 CO 0.25 0.17 1.25 -0.09 -1.51 0.00 0.00 177.10 177.17 1nwe h ARG 45 N 6.70 0.22 -5.38 -0.60 2.43 -1.90 -3.44 114.38 112.41 1nwe h ARG 45 Ca -0.31 -0.14 -0.66 0.00 -0.81 0.00 0.00 59.98 58.06 1nwe h ARG 45 Cb 1.19 0.02 -0.33 0.00 -0.42 0.00 0.00 29.97 30.43 1nwe h ARG 45 CO 0.63 0.72 -0.87 0.71 -1.51 0.00 0.00 179.97 179.65 1nwe s TYR 46 N -3.99 2.40 0.24 2.20 2.02 -1.26 -5.04 117.35 113.91 1nwe s TYR 46 Ca -0.15 -0.92 -0.06 0.00 -0.37 0.00 0.00 57.07 55.57 1nwe s TYR 46 Cb 0.03 -1.61 0.24 0.00 -0.40 0.00 0.00 41.96 40.22 1nwe s TYR 46 CO 0.73 -0.36 1.87 0.00 -1.57 0.00 0.00 175.55 176.22 1nwe n ASP 48 N -4.34 3.48 -3.70 0.00 5.75 -1.26 -4.60 116.55 111.88 1nwe n ASP 48 Ca 0.10 -2.58 -0.29 0.00 -0.01 0.00 0.00 54.79 52.02 1nwe n ASP 48 Cb 0.09 -0.62 -0.16 0.00 -1.03 0.00 0.00 41.12 39.40 1nwe n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nwe s VAL 49 N -1.88 0.53 0.01 2.12 1.01 -1.04 -5.08 120.40 116.08 1nwe s VAL 49 Ca 0.29 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1nwe s VAL 49 Cb 0.23 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1nwe s VAL 49 CO 0.08 -0.44 -0.04 -0.44 0.00 0.00 0.00 175.10 174.25 1nwe s SER 50 N 1.82 0.46 0.33 3.32 0.01 -1.26 -4.69 113.70 113.69 1nwe s SER 50 Ca 0.04 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.77 1nwe s SER 50 Cb -0.17 0.00 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 1nwe s SER 50 CO -0.18 -0.08 1.12 -2.16 0.41 0.00 0.00 173.24 172.35 1nwe s PRO 51 N -0.68 4.41 0.63 12.44 0.04 -1.26 -4.51 135.00 146.07 1nwe s PRO 51 Ca -0.05 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1nwe s PRO 51 Cb -0.05 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1nwe s PRO 51 CO -0.00 0.00 1.12 -0.06 0.04 0.00 0.00 177.00 178.10 1nwe s PHE 52 N -1.31 2.61 0.33 0.56 0.08 -1.26 -4.63 117.98 114.37 1nwe s PHE 52 Ca 0.50 1.55 0.19 0.00 0.12 0.00 0.00 56.93 59.28 1nwe s PHE 52 Cb -0.30 -3.21 0.93 0.00 -0.57 0.00 0.00 43.02 39.87 1nwe s PHE 52 CO 0.39 -1.69 1.88 -0.44 -0.10 0.00 0.00 175.22 175.26 1nwe h ASP 53 N 0.29 0.00 1.51 1.36 3.32 -1.64 -2.00 116.42 119.25 1nwe h ASP 53 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1nwe h ASP 53 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1nwe h ASP 53 CO 0.55 0.29 -0.51 1.12 -1.72 0.00 0.00 179.24 178.97 1nwe h HIS 54 N 0.00 0.00 -0.01 4.55 2.07 -1.92 -3.34 115.15 116.49 1nwe h HIS 54 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1nwe h HIS 54 Cb 0.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.59 1nwe h HIS 54 CO 0.00 0.35 0.00 -1.13 -3.07 0.00 0.00 177.93 174.08 1nwe n SER 55 N -3.12 1.50 -4.77 3.10 3.41 -1.18 -5.04 113.62 107.52 1nwe n SER 55 Ca 0.01 -1.44 -0.36 0.00 -0.26 0.00 0.00 58.87 56.82 1nwe n SER 55 Cb 0.68 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1nwe n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwe s ARG 56 N -0.46 3.57 0.03 4.33 1.70 -0.76 -0.30 118.95 127.06 1nwe s ARG 56 Ca 0.02 1.70 -0.26 0.00 -0.47 0.00 0.00 55.73 56.71 1nwe s ARG 56 Cb 0.01 -2.22 -0.05 0.00 -0.57 0.00 0.00 34.95 32.12 1nwe s ARG 56 CO 0.01 -0.69 0.82 0.42 -1.08 0.00 0.00 175.30 174.79 1nwe s ILE 57 N -1.65 4.76 -0.19 4.99 1.09 -0.69 -4.80 121.20 124.72 1nwe s ILE 57 Ca 0.68 1.74 -0.09 0.00 -1.10 0.00 0.00 60.65 61.88 1nwe s ILE 57 Cb -0.26 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 36.92 1nwe s ILE 57 CO 0.31 0.31 0.11 -0.54 -0.10 0.00 0.00 174.94 175.02 1nwe s LYS 58 N 0.25 4.08 0.41 2.79 1.02 -1.26 -4.22 119.74 122.80 1nwe s LYS 58 Ca 0.42 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.90 1nwe s LYS 58 Cb -0.21 -3.33 -0.08 0.00 -0.52 0.00 0.00 37.83 33.69 1nwe s LYS 58 CO 0.24 0.32 1.17 -0.51 -0.92 0.00 0.00 175.35 175.65 1nwe s LEU 59 N 0.29 4.17 -0.90 3.17 1.43 0.15 -4.93 118.68 122.04 1nwe s LEU 59 Ca 0.07 2.34 -0.06 0.00 -1.03 0.00 0.00 54.13 55.45 1nwe s LEU 59 Cb -0.11 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 1nwe s LEU 59 CO -0.01 -0.71 2.87 1.41 0.23 0.00 0.00 176.35 180.14 1nwe n HIS 60 N -0.01 1.77 -4.10 0.29 8.25 -1.26 -4.60 115.22 115.57 1nwe n HIS 60 Ca 0.05 -2.39 -0.12 0.00 -0.26 0.00 0.00 57.72 54.99 1nwe n HIS 60 Cb 0.47 -1.83 -0.11 0.00 1.12 0.00 0.00 29.99 29.64 1nwe n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1nwe s GLN 61 N -0.08 0.63 0.14 -0.41 -2.07 -1.26 -5.07 119.66 111.53 1nwe s GLN 61 Ca 0.62 -0.93 0.10 0.00 -1.82 0.00 0.00 55.36 53.32 1nwe s GLN 61 Cb 0.26 -0.28 -0.14 0.00 -1.09 0.00 0.00 33.01 31.75 1nwe s GLN 61 CO -0.10 0.03 1.25 1.05 -1.32 0.00 0.00 175.29 176.21 1nwe h GLU 62 N 4.05 0.00 0.27 9.60 -0.00 -2.03 -3.38 114.58 123.09 1nwe h GLU 62 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.99 1nwe h GLU 62 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1nwe h GLU 62 CO 0.48 0.81 -0.13 0.22 -0.00 0.00 0.00 179.01 180.39 1nwe h ASP 63 N 0.00 -0.31 -2.49 3.06 3.58 -1.98 -3.45 116.42 114.83 1nwe h ASP 63 Ca -0.04 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.23 1nwe h ASP 63 Cb 1.69 0.08 -0.31 0.00 1.72 0.00 0.00 39.33 42.51 1nwe h ASP 63 CO 0.11 -0.18 -0.50 0.21 -2.88 0.00 0.00 179.24 176.00 1nwe s ASN 64 N -2.97 0.35 0.00 2.28 3.84 -1.26 -5.04 114.94 112.15 1nwe s ASN 64 Ca -0.05 0.46 0.14 0.00 0.21 0.00 0.00 52.86 53.62 1nwe s ASN 64 Cb 0.01 0.90 0.42 0.00 -0.55 0.00 0.00 41.25 42.03 1nwe s ASN 64 CO 0.16 -0.27 1.35 -0.90 -2.79 0.00 0.00 177.10 174.65 1nwe n ASP 65 N 5.36 2.30 -4.74 -4.21 5.68 -1.26 -4.82 116.55 114.85 1nwe n ASP 65 Ca -0.06 -1.97 -0.40 0.00 -0.50 0.00 0.00 54.79 51.86 1nwe n ASP 65 Cb 0.50 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 40.16 1nwe n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1nwe s TYR 66 N -1.46 3.75 -0.10 2.11 5.04 -1.26 -0.68 117.35 124.76 1nwe s TYR 66 Ca 0.30 1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 56.36 1nwe s TYR 66 Cb 0.16 -2.85 0.03 0.00 0.35 0.00 0.00 41.96 39.65 1nwe s TYR 66 CO 0.21 0.28 0.27 -1.50 -1.34 0.00 0.00 175.55 173.47 1nwe s ILE 67 N -0.10 -0.00 -1.22 3.14 2.07 -1.26 -4.89 121.20 118.94 1nwe s ILE 67 Ca 0.40 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.45 1nwe s ILE 67 Cb -0.21 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 1nwe s ILE 67 CO 0.24 0.01 1.87 -3.20 -1.91 0.00 0.00 174.94 171.95 1nwe n ASN 68 N 3.09 3.79 -3.73 4.50 2.85 -1.26 -4.65 115.26 119.85 1nwe n ASN 68 Ca -0.14 -2.79 -0.13 0.00 -0.11 0.00 0.00 54.58 51.41 1nwe n ASN 68 Cb 0.58 -1.70 -0.10 0.00 1.24 0.00 0.00 39.78 39.80 1nwe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nwe s ALA 69 N 7.80 -1.01 0.01 5.20 0.00 -1.26 -2.58 121.76 129.92 1nwe s ALA 69 Ca 0.61 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.64 1nwe s ALA 69 Cb 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1nwe s ALA 69 CO 0.11 -0.22 -0.19 -1.12 0.00 0.00 0.00 175.76 174.34 1nwe s SER 70 N -0.16 2.19 -0.37 0.00 0.01 0.20 -1.70 113.70 113.87 1nwe s SER 70 Ca -0.03 -0.40 -0.19 0.00 1.31 0.00 0.00 55.95 56.64 1nwe s SER 70 Cb -0.03 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1nwe s SER 70 CO 0.02 0.19 0.56 -0.22 0.41 0.00 0.00 173.24 174.20 1nwe s LEU 71 N -0.71 4.39 -0.39 2.44 2.96 0.59 -0.47 118.68 127.48 1nwe s LEU 71 Ca 0.07 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 1nwe s LEU 71 Cb -0.08 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1nwe s LEU 71 CO 0.00 -0.57 0.58 -0.63 -1.32 0.00 0.00 176.35 174.41 1nwe s ILE 72 N 2.53 4.93 -0.42 6.68 1.09 0.29 -4.91 121.20 131.40 1nwe s ILE 72 Ca 0.20 0.22 -0.08 0.00 -1.10 0.00 0.00 60.65 59.89 1nwe s ILE 72 Cb -0.15 -4.09 0.08 0.00 -1.06 0.00 0.00 42.46 37.25 1nwe s ILE 72 CO 0.15 -0.40 0.25 -0.75 -0.10 0.00 0.00 174.94 174.08 1nwe s LYS 73 N 2.58 2.52 -0.71 2.79 2.20 -1.26 -0.74 119.74 127.12 1nwe s LYS 73 Ca 0.20 -1.52 -0.19 0.00 -0.36 0.00 0.00 55.97 54.10 1nwe s LYS 73 Cb -0.15 -3.74 0.11 0.00 -1.51 0.00 0.00 37.83 32.54 1nwe s LYS 73 CO 0.16 -0.97 0.86 -1.64 -0.36 0.00 0.00 175.35 173.40 1nwe s MET 74 N 1.38 3.24 0.06 4.03 -1.94 -0.30 -4.93 119.30 120.85 1nwe s MET 74 Ca 0.03 -1.43 -0.25 0.00 -1.71 0.00 0.00 55.69 52.33 1nwe s MET 74 Cb -0.23 -4.42 -0.17 0.00 2.01 0.00 0.00 34.83 32.02 1nwe s MET 74 CO 0.01 -1.63 1.60 1.49 -0.01 0.00 0.00 175.02 176.48 1nwe h GLU 75 N 9.05 -0.20 -0.48 2.03 4.81 -1.96 0.23 114.58 128.06 1nwe h GLU 75 Ca -0.15 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1nwe h GLU 75 Cb 1.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1nwe h GLU 75 CO 1.09 -0.05 0.16 1.49 -0.73 0.00 0.00 179.01 180.97 1nwe h GLU 76 N -0.30 0.74 0.00 1.92 4.81 -1.96 -2.23 114.58 117.56 1nwe h GLU 76 Ca -0.02 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1nwe h GLU 76 Cb 0.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1nwe h GLU 76 CO 0.03 0.70 0.00 0.00 -0.73 0.00 0.00 179.01 179.01 1nwe h ALA 77 N 1.01 1.00 -5.21 2.92 0.00 -1.91 -3.47 119.26 113.60 1nwe h ALA 77 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.66 1nwe h ALA 77 Cb 0.26 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.10 1nwe h ALA 77 CO -0.01 0.00 -0.64 0.94 0.00 0.00 0.00 179.25 179.54 1nwe n GLN 78 N -2.71 -5.65 -4.36 0.00 7.27 0.77 -4.90 117.38 107.79 1nwe n GLN 78 Ca 0.02 0.79 -0.19 0.00 0.07 0.00 0.00 57.00 57.70 1nwe n GLN 78 Cb 0.31 -5.70 -0.14 0.00 2.41 0.00 0.00 30.24 27.11 1nwe n GLN 78 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1nwe s ARG 79 N -6.03 0.77 -0.03 3.69 3.52 -0.97 -4.95 118.95 114.94 1nwe s ARG 79 Ca 0.44 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.70 1nwe s ARG 79 Cb -0.20 -0.74 -0.02 0.00 -1.56 0.00 0.00 34.95 32.44 1nwe s ARG 79 CO 0.55 0.20 -0.24 -1.12 -0.81 0.00 0.00 175.30 173.87 1nwe s SER 80 N -0.42 2.91 0.04 -2.12 0.01 -1.26 -1.15 113.70 111.72 1nwe s SER 80 Ca 0.03 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.89 1nwe s SER 80 Cb -0.05 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 1nwe s SER 80 CO -0.00 0.28 -0.21 -0.31 0.41 0.00 0.00 173.24 173.41 1nwe s TYR 81 N -0.40 1.81 -0.29 2.43 1.51 0.08 -3.79 117.35 118.69 1nwe s TYR 81 Ca 0.04 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 1nwe s TYR 81 Cb -0.11 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1nwe s TYR 81 CO 0.01 0.09 0.15 0.42 -1.11 0.00 0.00 175.55 175.11 1nwe s ILE 82 N -0.81 4.73 -0.22 2.71 1.01 0.10 0.11 121.20 128.83 1nwe s ILE 82 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1nwe s ILE 82 Cb -0.09 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1nwe s ILE 82 CO 0.02 0.16 0.05 -0.76 0.00 0.00 0.00 174.94 174.41 1nwe s LEU 83 N 1.65 3.53 0.17 2.97 1.02 0.38 -0.22 118.68 128.18 1nwe s LEU 83 Ca 0.06 -0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.12 1nwe s LEU 83 Cb -0.16 -1.92 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 1nwe s LEU 83 CO 0.07 0.06 -0.00 0.28 0.02 0.00 0.00 176.35 176.77 1nwe s THR 84 N 1.07 0.69 0.73 5.49 -1.32 -0.68 -0.63 115.64 120.98 1nwe s THR 84 Ca 0.04 -1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 58.43 1nwe s THR 84 Cb -0.14 -2.10 0.03 0.00 -1.51 0.00 0.00 72.50 68.77 1nwe s THR 84 CO 0.03 -0.49 1.07 0.00 -2.21 0.00 0.00 174.62 173.02 1nwe s GLN 85 N -3.91 2.67 -0.05 7.08 -2.07 -1.06 -3.73 119.66 118.59 1nwe s GLN 85 Ca 0.23 0.79 -0.30 0.00 -1.82 0.00 0.00 55.36 54.27 1nwe s GLN 85 Cb 0.06 -1.97 -0.07 0.00 -1.09 0.00 0.00 33.01 29.94 1nwe s GLN 85 CO 0.04 -1.25 1.87 0.20 -1.32 0.00 0.00 175.29 174.83 1nwe s GLY 86 N -3.90 1.33 0.21 2.60 0.00 0.15 -4.88 107.32 102.83 1nwe s GLY 86 Ca 0.59 1.05 -0.29 0.00 0.00 0.00 0.00 44.72 46.07 1nwe s GLY 86 CO 0.54 3.34 0.77 -1.05 0.00 0.00 0.00 173.10 176.71 1nwe n PRO 87 N 7.60 0.53 -2.65 2.90 -0.02 -1.26 -4.65 135.00 137.44 1nwe n PRO 87 Ca 0.20 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.60 1nwe n PRO 87 Cb 0.42 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1nwe n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nwe s LEU 88 N 1.79 3.53 0.55 2.45 1.43 -1.26 -1.76 118.68 125.41 1nwe s LEU 88 Ca 0.65 0.75 0.33 0.00 -1.03 0.00 0.00 54.13 54.84 1nwe s LEU 88 Cb -0.87 -3.66 1.50 0.00 0.03 0.00 0.00 46.19 43.19 1nwe s LEU 88 CO 0.57 -0.73 1.85 -0.65 0.23 0.00 0.00 176.35 177.62 1nwe h PRO 89 N 0.15 0.00 0.00 1.29 0.11 -1.96 -0.37 132.00 131.22 1nwe h PRO 89 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nwe h PRO 89 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nwe h PRO 89 CO 0.61 0.00 -1.10 0.27 -0.21 0.00 0.00 178.00 177.57 1nwe n ASN 90 N -4.17 0.60 -1.11 -2.05 6.94 -1.26 -4.29 115.26 109.92 1nwe n ASN 90 Ca 0.21 -0.24 0.08 0.00 -0.02 0.00 0.00 54.58 54.61 1nwe n ASN 90 Cb 1.07 0.89 0.27 0.00 -2.36 0.00 0.00 39.78 39.64 1nwe n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1nwe n THR 91 N -1.96 1.46 -0.08 5.53 -2.24 -0.17 -4.52 114.28 112.29 1nwe n THR 91 Ca 0.02 -1.19 -0.08 0.00 -2.27 0.00 0.00 64.05 60.52 1nwe n THR 91 Cb 0.44 0.27 0.08 0.00 -2.10 0.00 0.00 70.33 69.03 1nwe n THR 91 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1nwe h VAL 92 N 3.06 1.27 -0.45 2.28 -1.51 -1.69 0.13 116.25 119.34 1nwe h VAL 92 Ca 0.00 -1.36 -0.05 0.00 -1.23 0.00 0.00 66.70 64.06 1nwe h VAL 92 Cb 1.11 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1nwe h VAL 92 CO 0.11 0.45 0.07 1.23 -1.23 0.00 0.00 177.57 178.20 1nwe h GLY 93 N 0.96 0.80 0.73 5.19 0.00 -1.90 -2.71 103.07 106.14 1nwe h GLY 93 Ca 0.09 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.94 1nwe h GLY 93 CO 0.06 0.50 0.45 0.45 0.00 0.00 0.00 176.54 177.99 1nwe h HIS 94 N 0.61 0.83 0.00 5.60 -0.00 -1.72 -0.57 115.15 119.91 1nwe h HIS 94 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1nwe h HIS 94 Cb 0.38 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1nwe h HIS 94 CO 0.03 0.42 -0.01 0.35 -0.00 0.00 0.00 177.93 178.72 1nwe h PHE 95 N 0.83 -0.02 0.00 2.45 3.57 -0.57 -1.40 116.94 121.80 1nwe h PHE 95 Ca 0.32 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 1nwe h PHE 95 Cb 0.15 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1nwe h PHE 95 CO -0.05 -0.02 -0.36 -1.49 -2.23 0.00 0.00 178.31 174.16 1nwe h TRP 96 N -0.02 0.00 -0.49 0.41 4.06 -1.23 -1.69 115.95 116.99 1nwe h TRP 96 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1nwe h TRP 96 Cb 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 1nwe h TRP 96 CO -0.09 0.36 0.22 1.49 -3.56 0.00 0.00 178.44 176.86 1nwe h GLU 97 N 0.00 0.72 -0.44 0.49 4.81 -0.82 0.17 114.58 119.52 1nwe h GLU 97 Ca -0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1nwe h GLU 97 Cb 1.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1nwe h GLU 97 CO 0.05 0.63 0.25 1.98 -0.73 0.00 0.00 179.01 181.18 1nwe h MET 98 N 0.65 0.60 -0.51 1.92 4.05 -0.85 0.16 114.93 120.95 1nwe h MET 98 Ca 0.17 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1nwe h MET 98 Cb 0.16 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1nwe h MET 98 CO -0.02 0.46 0.33 0.28 0.23 0.00 0.00 176.91 178.20 1nwe h VAL 99 N 0.57 1.12 -0.28 -5.77 2.07 -1.00 0.21 116.25 113.18 1nwe h VAL 99 Ca 0.15 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1nwe h VAL 99 Cb 0.03 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1nwe h VAL 99 CO -0.03 0.12 -0.07 -0.25 0.02 0.00 0.00 177.57 177.36 1nwe h TRP 100 N 0.68 0.61 -0.19 1.57 2.91 -0.79 -1.70 115.95 119.03 1nwe h TRP 100 Ca 0.19 -0.13 -0.17 0.00 1.13 0.00 0.00 58.89 59.91 1nwe h TRP 100 Cb -0.07 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.43 1nwe h TRP 100 CO -0.04 0.75 -0.57 0.93 -1.03 0.00 0.00 178.44 178.47 1nwe h GLU 101 N 0.29 0.61 -0.00 2.65 5.08 -0.35 -2.65 114.58 120.21 1nwe h GLU 101 Ca 0.07 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1nwe h GLU 101 Cb 0.55 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nwe h GLU 101 CO 0.03 1.01 -0.06 1.04 -1.00 0.00 0.00 179.01 180.03 1nwe n GLN 102 N -3.96 0.94 -3.71 2.33 1.13 0.72 -4.92 117.38 109.91 1nwe n GLN 102 Ca -0.04 -0.30 -0.25 0.00 -1.94 0.00 0.00 57.00 54.47 1nwe n GLN 102 Cb 0.62 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.53 1nwe n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nwe n LYS 103 N -0.77 -6.52 -2.48 -1.09 5.02 -0.92 -4.12 118.16 107.28 1nwe n LYS 103 Ca 0.18 0.72 -0.39 0.00 -2.02 0.00 0.00 58.31 56.80 1nwe n LYS 103 Cb 0.25 -5.65 -0.04 0.00 -0.02 0.00 0.00 35.03 29.57 1nwe n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nwe s SER 104 N -3.58 7.02 -0.18 4.39 0.01 -0.69 -0.91 113.70 119.77 1nwe s SER 104 Ca 0.47 2.20 0.14 0.00 1.31 0.00 0.00 55.95 60.07 1nwe s SER 104 Cb -0.22 -2.61 -0.24 0.00 0.21 0.00 0.00 66.02 63.16 1nwe s SER 104 CO 0.78 -0.32 0.13 -1.14 0.41 0.00 0.00 173.24 173.10 1nwe n ARG 105 N 0.64 0.68 -4.32 12.44 0.00 -1.26 -4.90 116.66 119.94 1nwe n ARG 105 Ca 0.02 0.07 -0.25 0.00 -0.00 0.00 0.00 57.85 57.68 1nwe n ARG 105 Cb 0.47 -1.57 -0.13 0.00 0.00 0.00 0.00 32.46 31.23 1nwe n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nwe s GLY 106 N -5.58 1.34 -0.17 5.14 0.00 -1.26 -1.32 107.32 105.47 1nwe s GLY 106 Ca -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1nwe s GLY 106 CO 0.79 -1.31 -0.11 0.14 0.00 0.00 0.00 173.10 172.62 1nwe s VAL 107 N -1.13 1.49 -0.30 1.40 1.01 0.66 -1.91 120.40 121.63 1nwe s VAL 107 Ca 0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1nwe s VAL 107 Cb -0.10 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1nwe s VAL 107 CO 0.05 0.28 0.18 -0.69 0.00 0.00 0.00 175.10 174.91 1nwe s VAL 108 N 1.49 5.00 -0.23 2.92 1.01 0.12 -0.07 120.40 130.63 1nwe s VAL 108 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1nwe s VAL 108 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1nwe s VAL 108 CO -0.09 0.16 -0.04 -0.32 0.00 0.00 0.00 175.10 174.80 1nwe s MET 109 N 1.70 3.24 -0.05 2.72 0.00 0.19 -1.38 119.30 125.72 1nwe s MET 109 Ca 0.06 -0.72 0.13 0.00 0.00 0.00 0.00 55.69 55.17 1nwe s MET 109 Cb -0.16 -3.02 0.41 0.00 0.00 0.00 0.00 34.83 32.05 1nwe s MET 109 CO 0.09 -0.26 1.34 1.28 0.00 0.00 0.00 175.02 177.47 1nwe n LEU 110 N 4.77 3.34 -4.25 4.11 4.77 -0.76 0.43 117.00 129.43 1nwe n LEU 110 Ca -0.18 -2.28 -0.14 0.00 -0.03 0.00 0.00 56.01 53.39 1nwe n LEU 110 Cb 0.50 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1nwe n LEU 110 CO 0.29 0.73 -0.39 0.54 -1.33 0.00 0.00 177.39 177.23 1nwe s ASN 111 N -1.22 1.64 0.30 -1.43 2.20 -1.24 -4.59 114.94 110.60 1nwe s ASN 111 Ca 0.31 -1.05 0.02 0.00 -0.94 0.00 0.00 52.86 51.20 1nwe s ASN 111 Cb 0.20 0.02 -0.03 0.00 -2.00 0.00 0.00 41.25 39.43 1nwe s ASN 111 CO 0.16 -0.40 0.48 -0.13 -2.94 0.00 0.00 177.10 174.27 1nwe s ARG 112 N -3.79 3.48 0.18 3.55 0.52 -1.26 -4.86 118.95 116.76 1nwe s ARG 112 Ca 0.18 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.79 1nwe s ARG 112 Cb 0.04 -2.75 0.08 0.00 0.52 0.00 0.00 34.95 32.84 1nwe s ARG 112 CO 0.01 0.26 1.83 0.28 0.02 0.00 0.00 175.30 177.69 1nwe h VAL 113 N 0.95 1.10 -3.29 3.52 2.07 -1.96 -3.40 116.25 115.24 1nwe h VAL 113 Ca -0.50 -0.23 -0.66 0.00 0.82 0.00 0.00 66.70 66.13 1nwe h VAL 113 Cb 1.22 0.37 -0.29 0.00 -1.52 0.00 0.00 31.29 31.06 1nwe h VAL 113 CO 0.62 0.12 -0.78 -0.32 0.02 0.00 0.00 177.57 177.23 1nwe s MET 114 N -6.15 3.27 -0.03 1.57 -2.45 -1.26 -1.31 119.30 112.95 1nwe s MET 114 Ca -0.13 -0.71 0.02 0.00 -1.25 0.00 0.00 55.69 53.62 1nwe s MET 114 Cb 0.13 -2.72 0.01 0.00 1.25 0.00 0.00 34.83 33.49 1nwe s MET 114 CO 0.74 -0.02 -0.06 -1.21 1.05 0.00 0.00 175.02 175.52 1nwe s GLU 115 N 0.95 0.72 -1.27 4.11 2.02 -0.72 -4.81 118.70 119.69 1nwe s GLU 115 Ca -0.02 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1nwe s GLU 115 Cb -0.15 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.36 1nwe s GLU 115 CO -0.01 0.02 0.00 0.36 0.02 0.00 0.00 175.26 175.65 1nwe n LYS 116 N 3.56 -2.06 -0.90 1.61 2.85 -1.26 -1.24 118.16 120.72 1nwe n LYS 116 Ca -0.21 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 1nwe n LYS 116 Cb 0.54 -5.34 0.00 0.00 -0.65 0.00 0.00 35.03 29.58 1nwe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nwe n GLY 117 N -0.86 0.74 3.35 2.58 0.00 -1.26 -5.04 105.19 104.70 1nwe n GLY 117 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1nwe n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nwe s SER 118 N -2.47 3.10 -0.31 1.61 0.01 -0.38 -5.10 113.70 110.16 1nwe s SER 118 Ca 0.00 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.28 1nwe s SER 118 Cb 0.00 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1nwe s SER 118 CO 0.00 0.17 1.14 -0.76 0.41 0.00 0.00 173.24 174.21 1nwe s LEU 119 N -1.82 3.93 -0.00 2.44 1.43 -1.26 -1.75 118.68 121.64 1nwe s LEU 119 Ca 0.12 1.12 0.17 0.00 -1.03 0.00 0.00 54.13 54.51 1nwe s LEU 119 Cb -0.10 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.38 1nwe s LEU 119 CO 0.05 -0.93 0.70 0.29 0.23 0.00 0.00 176.35 176.69 1nwe n LYS 120 N 6.98 1.18 -3.60 1.70 4.76 -0.42 -4.99 118.16 123.77 1nwe n LYS 120 Ca 0.13 -0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 1nwe n LYS 120 Cb 0.47 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.27 1nwe n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nwe s ALA 122 N -0.76 3.04 -0.98 0.00 0.00 -0.72 -4.72 121.76 117.62 1nwe s ALA 122 Ca 0.00 0.38 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 1nwe s ALA 122 Cb -0.02 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1nwe s ALA 122 CO -0.01 0.11 1.92 -1.14 0.00 0.00 0.00 175.76 176.63 1nwe s GLN 123 N -3.24 2.60 0.00 0.00 2.00 -1.26 -4.78 119.66 114.97 1nwe s GLN 123 Ca 0.62 -0.56 0.23 0.00 -2.00 0.00 0.00 55.36 53.65 1nwe s GLN 123 Cb -0.09 -5.12 0.54 0.00 0.80 0.00 0.00 33.01 29.14 1nwe s GLN 123 CO 0.14 -3.47 1.45 2.48 -0.50 0.00 0.00 175.29 175.40 1nwe n TYR 124 N 13.81 0.29 -4.05 1.67 0.18 -1.26 -4.86 117.16 122.95 1nwe n TYR 124 Ca 0.41 -0.15 -0.12 0.00 1.88 0.00 0.00 57.90 59.92 1nwe n TYR 124 Cb 0.47 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.31 1nwe n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1nwe s TRP 125 N -1.71 0.53 0.31 -3.48 -2.14 -1.26 -5.05 118.94 106.14 1nwe s TRP 125 Ca 0.35 -0.43 -0.29 0.00 2.66 0.00 0.00 56.10 58.39 1nwe s TRP 125 Cb 0.20 -0.33 -0.10 0.00 -3.10 0.00 0.00 33.47 30.15 1nwe s TRP 125 CO 0.30 -0.09 1.31 -1.25 -2.66 0.00 0.00 176.95 174.56 1nwe s PRO 126 N -1.30 4.36 0.05 3.25 0.04 -1.26 -4.94 135.00 135.20 1nwe s PRO 126 Ca -0.09 2.19 0.23 0.00 0.04 0.00 0.00 61.00 63.37 1nwe s PRO 126 Cb -0.09 -3.09 0.11 0.00 0.04 0.00 0.00 34.50 31.48 1nwe s PRO 126 CO 0.00 -0.20 1.09 1.04 0.04 0.00 0.00 177.00 178.97 1nwe n GLN 127 N 1.13 0.24 -3.93 4.56 6.02 -1.26 -4.70 117.38 119.43 1nwe n GLN 127 Ca 0.01 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.85 1nwe n GLN 127 Cb 0.42 -1.59 -0.15 0.00 1.02 0.00 0.00 30.24 29.94 1nwe n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1nwe s LYS 128 N -3.16 0.21 0.40 -1.09 1.02 -1.26 -5.05 119.74 110.82 1nwe s LYS 128 Ca 0.05 0.03 0.15 0.00 0.02 0.00 0.00 55.97 56.22 1nwe s LYS 128 Cb 0.15 -0.34 1.01 0.00 -0.52 0.00 0.00 37.83 38.12 1nwe s LYS 128 CO 0.79 -0.07 1.88 0.93 -0.92 0.00 0.00 175.35 177.95 1nwe h GLU 129 N 6.84 0.47 -0.21 1.68 3.07 -1.91 -2.11 114.58 122.41 1nwe h GLU 129 Ca -0.37 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.31 1nwe h GLU 129 Cb 1.16 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1nwe h GLU 129 CO 0.49 0.31 -0.47 0.93 -1.40 0.00 0.00 179.01 178.86 1nwe h GLU 130 N 0.48 0.55 -3.63 2.33 3.07 -1.96 -3.39 114.58 112.02 1nwe h GLU 130 Ca 0.43 -0.31 -0.74 0.00 -0.50 0.00 0.00 59.36 58.25 1nwe h GLU 130 Cb 0.95 0.02 -0.31 0.00 -0.84 0.00 0.00 28.75 28.57 1nwe h GLU 130 CO -0.17 0.90 -0.11 0.15 -1.40 0.00 0.00 179.01 178.39 1nwe s LYS 131 N -4.12 3.14 0.69 2.33 1.02 -0.79 -5.06 119.74 116.95 1nwe s LYS 131 Ca -0.07 -2.65 -0.11 0.00 0.02 0.00 0.00 55.97 53.16 1nwe s LYS 131 Cb 0.12 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1nwe s LYS 131 CO 0.83 -1.23 1.07 -1.83 -0.92 0.00 0.00 175.35 173.27 1nwe s GLU 132 N -0.22 3.00 -0.08 1.68 1.03 -1.26 -4.59 118.70 118.25 1nwe s GLU 132 Ca 0.19 0.67 -0.02 0.00 0.03 0.00 0.00 54.97 55.85 1nwe s GLU 132 Cb -0.14 -2.02 -0.03 0.00 -0.80 0.00 0.00 34.13 31.14 1nwe s GLU 132 CO -0.07 -0.98 0.00 -1.64 -1.33 0.00 0.00 175.26 171.24 1nwe s MET 133 N -5.21 2.98 -0.14 -4.83 -1.94 0.15 -4.99 119.30 105.31 1nwe s MET 133 Ca 0.57 -0.41 0.02 0.00 -1.71 0.00 0.00 55.69 54.16 1nwe s MET 133 Cb -0.12 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 33.94 1nwe s MET 133 CO 0.53 0.70 -0.21 0.42 -0.01 0.00 0.00 175.02 176.46 1nwe s ILE 134 N -0.89 2.01 -0.62 2.53 1.01 -1.26 -0.98 121.20 122.99 1nwe s ILE 134 Ca 0.14 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 1nwe s ILE 134 Cb -0.11 -1.79 0.16 0.00 0.01 0.00 0.00 42.46 40.73 1nwe s ILE 134 CO 0.03 0.54 0.53 -0.36 0.00 0.00 0.00 174.94 175.67 1nwe s PHE 135 N 0.92 3.48 0.28 3.97 0.08 -0.27 -4.96 117.98 121.49 1nwe s PHE 135 Ca -0.05 -1.86 -0.02 0.00 0.12 0.00 0.00 56.93 55.12 1nwe s PHE 135 Cb -0.15 -3.64 0.40 0.00 -0.57 0.00 0.00 43.02 39.05 1nwe s PHE 135 CO -0.04 -0.98 1.89 0.93 -0.10 0.00 0.00 175.22 176.91 1nwe h GLU 136 N 8.19 0.99 -0.29 0.44 5.08 -1.97 -0.40 114.58 126.62 1nwe h GLU 136 Ca -0.11 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1nwe h GLU 136 Cb 1.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1nwe h GLU 136 CO 0.86 0.76 -0.06 0.38 -1.00 0.00 0.00 179.01 179.95 1nwe h ASP 137 N 0.98 0.43 -0.18 1.42 2.03 -1.97 -3.09 116.42 116.04 1nwe h ASP 137 Ca 0.24 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1nwe h ASP 137 Cb 0.09 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1nwe h ASP 137 CO -0.03 0.54 0.00 0.35 -1.03 0.00 0.00 179.24 179.07 1nwe n THR 138 N -4.26 0.46 -3.62 1.15 -2.24 -1.10 -5.02 114.28 99.64 1nwe n THR 138 Ca 0.01 -0.73 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 1nwe n THR 138 Cb 0.27 0.91 0.04 0.00 -2.10 0.00 0.00 70.33 69.45 1nwe n THR 138 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1nwe n ASN 139 N 0.63 -4.16 -4.06 3.42 2.04 -0.19 -4.91 115.26 108.03 1nwe n ASN 139 Ca 0.09 -0.90 -0.15 0.00 -0.44 0.00 0.00 54.58 53.18 1nwe n ASN 139 Cb 0.36 -3.90 -0.12 0.00 -2.53 0.00 0.00 39.78 33.59 1nwe n ASN 139 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1nwe s LEU 140 N -6.35 2.18 -0.02 -4.53 1.43 -0.99 -1.00 118.68 109.41 1nwe s LEU 140 Ca 0.32 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1nwe s LEU 140 Cb -0.09 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1nwe s LEU 140 CO 0.83 -0.09 -0.19 -0.75 0.23 0.00 0.00 176.35 176.37 1nwe s LYS 141 N -1.17 2.28 -0.07 1.70 2.20 0.12 -1.11 119.74 123.69 1nwe s LYS 141 Ca -0.05 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.72 1nwe s LYS 141 Cb -0.08 -2.23 0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1nwe s LYS 141 CO 0.01 0.59 -0.00 -1.17 -0.36 0.00 0.00 175.35 174.41 1nwe s LEU 142 N -0.84 0.68 -0.01 5.43 2.96 -0.16 -0.04 118.68 126.70 1nwe s LEU 142 Ca 0.12 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1nwe s LEU 142 Cb -0.10 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 1nwe s LEU 142 CO 0.01 -0.18 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.74 1nwe s THR 143 N 1.82 1.83 -0.06 3.68 2.01 -0.41 -0.67 115.64 123.85 1nwe s THR 143 Ca 0.03 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.74 1nwe s THR 143 Cb -0.12 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1nwe s THR 143 CO -0.04 0.49 0.85 -0.22 -0.69 0.00 0.00 174.62 175.01 1nwe s LEU 144 N -0.61 4.31 -0.26 4.42 2.96 -1.26 -0.73 118.68 127.51 1nwe s LEU 144 Ca 0.09 1.40 -0.15 0.00 -0.22 0.00 0.00 54.13 55.25 1nwe s LEU 144 Cb -0.09 -3.33 -0.14 0.00 0.50 0.00 0.00 46.19 43.13 1nwe s LEU 144 CO -0.01 -0.24 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.16 1nwe n ILE 145 N 4.04 1.53 -3.51 6.68 2.08 0.15 -4.48 119.36 125.84 1nwe n ILE 145 Ca 0.03 -0.33 -0.15 0.00 0.56 0.00 0.00 62.75 62.87 1nwe n ILE 145 Cb 0.51 -1.90 -0.05 0.00 -0.75 0.00 0.00 39.64 37.45 1nwe n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1nwe s SER 146 N -7.35 -0.58 0.05 4.38 1.04 -1.15 -4.99 113.70 105.09 1nwe s SER 146 Ca -0.37 0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.60 1nwe s SER 146 Cb 0.13 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1nwe s SER 146 CO 0.51 -0.63 -0.13 -1.83 0.98 0.00 0.00 173.24 172.14 1nwe s GLU 147 N -1.77 0.85 -0.45 4.02 -1.05 -1.26 -0.37 118.70 118.66 1nwe s GLU 147 Ca -0.06 -0.79 0.04 0.00 -0.15 0.00 0.00 54.97 54.00 1nwe s GLU 147 Cb -0.00 -0.84 0.12 0.00 -0.44 0.00 0.00 34.13 32.97 1nwe s GLU 147 CO 0.03 0.20 0.18 0.34 0.95 0.00 0.00 175.26 176.96 1nwe s ASP 148 N -1.31 4.44 -0.46 0.83 2.15 0.88 -5.00 116.67 118.21 1nwe s ASP 148 Ca -0.00 -2.69 -0.27 0.00 0.43 0.00 0.00 52.55 50.02 1nwe s ASP 148 Cb -0.08 -1.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.96 1nwe s ASP 148 CO 0.01 -0.29 1.02 -0.63 -0.17 0.00 0.00 175.17 175.12 1nwe s ILE 149 N 0.17 4.37 0.50 4.11 1.01 -1.26 -2.12 121.20 127.98 1nwe s ILE 149 Ca 0.15 1.01 0.07 0.00 0.00 0.00 0.00 60.65 61.88 1nwe s ILE 149 Cb -0.23 -4.50 0.04 0.00 0.01 0.00 0.00 42.46 37.78 1nwe s ILE 149 CO -0.03 -0.88 0.69 -0.54 0.00 0.00 0.00 174.94 174.18 1nwe s LYS 150 N 4.02 2.57 0.53 2.79 -0.14 0.59 -5.01 119.74 125.09 1nwe s LYS 150 Ca 0.42 -1.30 0.18 0.00 -1.36 0.00 0.00 55.97 53.91 1nwe s LYS 150 Cb -0.09 -2.67 1.32 0.00 -1.68 0.00 0.00 37.83 34.71 1nwe s LYS 150 CO 0.28 -0.57 2.13 0.66 -0.76 0.00 0.00 175.35 177.09 1nwe h SER 151 N 0.37 0.00 0.00 2.83 4.64 -1.70 -3.22 113.55 116.46 1nwe h SER 151 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1nwe h SER 151 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1nwe h SER 151 CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1nwe n TYR 152 N -4.47 0.00 -3.91 4.77 4.11 -1.26 -5.00 117.16 111.40 1nwe n TYR 152 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.80 1nwe n TYR 152 Cb 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.43 1nwe n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1nwe s TYR 153 N -0.23 0.27 -0.05 -3.48 1.13 -1.22 -1.01 117.35 112.77 1nwe s TYR 153 Ca 0.00 -0.68 -0.00 0.00 -1.41 0.00 0.00 57.07 54.97 1nwe s TYR 153 Cb 0.00 -0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.80 1nwe s TYR 153 CO 0.00 -0.60 -0.00 0.99 -2.51 0.00 0.00 175.55 173.43 1nwe s THR 154 N -3.91 0.31 -0.17 -3.49 2.01 0.09 -0.30 115.64 110.18 1nwe s THR 154 Ca 0.10 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 1nwe s THR 154 Cb 0.05 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1nwe s THR 154 CO -0.07 0.21 0.08 -0.69 -0.69 0.00 0.00 174.62 173.46 1nwe s VAL 155 N 1.42 4.97 0.01 3.82 1.01 -0.90 -0.62 120.40 130.10 1nwe s VAL 155 Ca -0.04 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1nwe s VAL 155 Cb -0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1nwe s VAL 155 CO -0.03 0.48 -0.22 -0.13 0.00 0.00 0.00 175.10 175.21 1nwe s ARG 156 N 0.15 1.63 -0.26 2.72 0.52 -0.12 -0.08 118.95 123.50 1nwe s ARG 156 Ca 0.06 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.28 1nwe s ARG 156 Cb -0.12 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 1nwe s ARG 156 CO 0.00 0.44 0.28 -1.14 0.02 0.00 0.00 175.30 174.90 1nwe s GLN 157 N -0.80 4.02 0.08 3.54 0.74 0.50 -0.68 119.66 127.05 1nwe s GLN 157 Ca 0.08 -0.12 0.09 0.00 0.05 0.00 0.00 55.36 55.46 1nwe s GLN 157 Cb -0.09 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1nwe s GLN 157 CO 0.00 -0.17 -0.23 -0.51 -0.55 0.00 0.00 175.29 173.83 1nwe s LEU 158 N 1.73 2.41 -0.26 3.68 1.02 0.15 -0.68 118.68 126.73 1nwe s LEU 158 Ca 0.11 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.63 1nwe s LEU 158 Cb -0.15 -1.37 0.01 0.00 0.02 0.00 0.00 46.19 44.70 1nwe s LEU 158 CO 0.09 0.22 0.00 -0.70 0.02 0.00 0.00 176.35 175.99 1nwe s GLU 159 N -1.65 3.07 -0.20 1.70 2.12 0.10 -0.08 118.70 123.75 1nwe s GLU 159 Ca 0.14 -0.84 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 1nwe s GLU 159 Cb -0.10 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1nwe s GLU 159 CO 0.05 -0.37 0.10 -1.17 -0.54 0.00 0.00 175.26 173.33 1nwe s LEU 160 N 1.43 3.96 -0.10 2.70 2.96 -0.12 -1.28 118.68 128.23 1nwe s LEU 160 Ca 0.02 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1nwe s LEU 160 Cb -0.16 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.52 1nwe s LEU 160 CO -0.01 0.15 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.33 1nwe s GLU 161 N 0.52 2.00 -0.37 1.98 2.12 0.95 -1.25 118.70 124.65 1nwe s GLU 161 Ca 0.05 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.61 1nwe s GLU 161 Cb -0.12 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1nwe s GLU 161 CO 0.00 -0.08 1.43 1.21 -0.54 0.00 0.00 175.26 177.28 1nwe s ASN 162 N 1.04 6.38 0.59 -1.70 3.84 -0.56 0.13 114.94 124.66 1nwe s ASN 162 Ca -0.06 0.99 0.37 0.00 0.21 0.00 0.00 52.86 54.37 1nwe s ASN 162 Cb -0.15 -2.54 1.74 0.00 -0.55 0.00 0.00 41.25 39.76 1nwe s ASN 162 CO -0.02 -1.36 2.13 -0.07 -2.79 0.00 0.00 177.10 174.99 1nwe h LEU 163 N 11.97 0.00 -0.03 3.21 3.38 -1.40 0.28 115.31 132.71 1nwe h LEU 163 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1nwe h LEU 163 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1nwe h LEU 163 CO 1.07 0.01 -0.10 0.74 0.09 0.00 0.00 178.44 180.25 1nwe h THR 164 N 0.00 1.47 -0.01 0.22 2.02 -1.90 -3.38 112.91 111.33 1nwe h THR 164 Ca -0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1nwe h THR 164 Cb 0.33 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1nwe h THR 164 CO 0.00 0.41 -0.44 0.35 0.37 0.00 0.00 175.52 176.21 1nwe n THR 165 N -4.67 0.00 -2.17 3.16 -2.24 -1.10 -4.98 114.28 102.27 1nwe n THR 165 Ca -0.08 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.22 1nwe n THR 165 Cb 0.37 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1nwe n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nwe n GLN 166 N -0.61 -1.65 -3.07 -0.78 0.00 0.95 -4.99 117.38 107.23 1nwe n GLN 166 Ca 0.05 1.03 -0.38 0.00 0.00 0.00 0.00 57.00 57.70 1nwe n GLN 166 Cb 0.27 -5.61 -0.06 0.00 0.00 0.00 0.00 30.24 24.84 1nwe n GLN 166 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1nwe s GLU 167 N -4.66 4.39 0.06 2.61 2.12 -1.23 -4.89 118.70 117.10 1nwe s GLU 167 Ca 0.00 0.99 0.09 0.00 0.36 0.00 0.00 54.97 56.41 1nwe s GLU 167 Cb 0.00 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 1nwe s GLU 167 CO 0.00 0.51 -0.25 0.99 -0.54 0.00 0.00 175.26 175.97 1nwe s THR 168 N -1.29 2.06 -0.07 -1.70 2.01 -1.26 -1.49 115.64 113.90 1nwe s THR 168 Ca 0.38 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 1nwe s THR 168 Cb -0.20 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1nwe s THR 168 CO 0.23 0.27 0.17 -0.60 -0.69 0.00 0.00 174.62 174.00 1nwe s ARG 169 N -1.40 0.19 -0.31 4.92 3.52 -0.38 -5.00 118.95 120.48 1nwe s ARG 169 Ca 0.11 0.27 -0.21 0.00 -0.13 0.00 0.00 55.73 55.76 1nwe s ARG 169 Cb -0.10 0.06 -0.00 0.00 -1.56 0.00 0.00 34.95 33.34 1nwe s ARG 169 CO 0.03 -0.05 0.69 -2.00 -0.81 0.00 0.00 175.30 173.16 1nwe s GLU 170 N 0.27 3.90 -0.12 5.12 2.12 -1.26 -0.94 118.70 127.78 1nwe s GLU 170 Ca -0.01 0.38 -0.03 0.00 0.36 0.00 0.00 54.97 55.66 1nwe s GLU 170 Cb -0.03 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 1nwe s GLU 170 CO -0.01 -0.63 0.00 0.42 -0.54 0.00 0.00 175.26 174.51 1nwe s ILE 171 N 2.74 4.31 -0.16 -3.70 -1.09 0.88 -4.88 121.20 119.31 1nwe s ILE 171 Ca 0.28 -0.23 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 1nwe s ILE 171 Cb -0.15 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1nwe s ILE 171 CO 0.12 0.55 0.07 -0.76 -1.23 0.00 0.00 174.94 173.69 1nwe s LEU 172 N -0.36 3.87 -0.30 2.97 1.43 -0.43 0.33 118.68 126.19 1nwe s LEU 172 Ca 0.07 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1nwe s LEU 172 Cb -0.12 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.19 1nwe s LEU 172 CO 0.02 0.23 0.00 -2.28 0.23 0.00 0.00 176.35 174.55 1nwe s HIS 173 N 0.04 3.28 -0.44 0.29 2.46 0.14 -0.24 115.29 120.83 1nwe s HIS 173 Ca 0.06 -1.94 -0.15 0.00 0.47 0.00 0.00 55.06 53.50 1nwe s HIS 173 Cb -0.12 -2.15 0.04 0.00 -0.13 0.00 0.00 32.58 30.22 1nwe s HIS 173 CO 0.01 -0.82 0.34 -0.06 -2.47 0.00 0.00 174.74 171.74 1nwe s PHE 174 N 1.23 3.24 -0.40 3.88 0.08 0.90 -0.94 117.98 125.97 1nwe s PHE 174 Ca -0.05 -0.72 -0.04 0.00 0.12 0.00 0.00 56.93 56.24 1nwe s PHE 174 Cb -0.20 -2.83 0.10 0.00 -0.57 0.00 0.00 43.02 39.52 1nwe s PHE 174 CO -0.01 -0.68 0.20 -1.58 -0.10 0.00 0.00 175.22 173.05 1nwe s HIS 175 N 1.68 3.50 -0.21 0.36 2.46 0.21 0.57 115.29 123.85 1nwe s HIS 175 Ca 0.05 -2.18 -0.29 0.00 0.47 0.00 0.00 55.06 53.10 1nwe s HIS 175 Cb -0.21 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.15 1nwe s HIS 175 CO 0.09 -0.94 1.07 -0.47 -2.47 0.00 0.00 174.74 172.02 1nwe s TYR 176 N 1.21 3.29 -0.88 3.88 6.14 0.17 -0.73 117.35 130.43 1nwe s TYR 176 Ca 0.06 1.42 0.14 0.00 0.64 0.00 0.00 57.07 59.33 1nwe s TYR 176 Cb -0.23 -3.30 -0.11 0.00 0.42 0.00 0.00 41.96 38.75 1nwe s TYR 176 CO -0.03 -0.63 0.66 0.25 0.64 0.00 0.00 175.55 176.44 1nwe n THR 177 N 5.26 0.00 -1.64 4.34 -2.24 -0.18 -3.68 114.28 116.14 1nwe n THR 177 Ca 0.12 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1nwe n THR 177 Cb 0.46 1.05 0.17 0.00 -2.10 0.00 0.00 70.33 69.92 1nwe n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nwe n THR 178 N -0.98 2.37 -3.88 4.28 -2.24 -1.23 -4.83 114.28 107.78 1nwe n THR 178 Ca 0.04 -3.30 -0.35 0.00 -2.27 0.00 0.00 64.05 58.17 1nwe n THR 178 Cb 0.25 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 67.92 1nwe n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1nwe s TRP 179 N -3.32 3.48 0.86 4.78 -0.11 -1.26 -4.58 118.94 118.79 1nwe s TRP 179 Ca 0.42 -2.29 -0.12 0.00 1.22 0.00 0.00 56.10 55.34 1nwe s TRP 179 Cb 0.39 -2.69 0.11 0.00 -1.50 0.00 0.00 33.47 29.79 1nwe s TRP 179 CO -0.04 -0.90 1.18 -2.30 -4.62 0.00 0.00 176.95 170.27 1nwe n PRO 180 N 4.55 -0.12 0.09 5.86 -0.02 -1.26 -4.71 135.00 139.38 1nwe n PRO 180 Ca -0.06 0.04 -0.08 0.00 -2.02 0.00 0.00 63.50 61.38 1nwe n PRO 180 Cb 0.42 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1nwe n PRO 180 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1nwe h ASP 181 N -1.38 -0.71 -1.93 2.55 1.82 -1.99 -2.45 116.42 112.33 1nwe h ASP 181 Ca -0.45 0.07 -0.72 0.00 -0.39 0.00 0.00 57.03 55.54 1nwe h ASP 181 Cb 1.29 0.25 -0.31 0.00 0.68 0.00 0.00 39.33 41.23 1nwe h ASP 181 CO 0.44 -0.29 0.55 0.49 -1.61 0.00 0.00 179.24 178.82 1nwe n PHE 182 N -3.84 3.11 -3.60 0.28 3.72 -1.26 -4.68 117.46 111.20 1nwe n PHE 182 Ca -0.05 -2.63 0.00 0.00 -0.05 0.00 0.00 57.45 54.72 1nwe n PHE 182 Cb 0.21 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1nwe n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nwe n GLY 183 N -0.45 5.01 3.32 1.37 0.00 -0.92 -4.99 105.19 108.53 1nwe n GLY 183 Ca 0.48 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 1nwe n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nwe s VAL 184 N -0.98 1.63 0.80 1.61 -7.23 -1.26 -4.80 120.40 110.17 1nwe s VAL 184 Ca 0.00 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 57.96 1nwe s VAL 184 Cb 0.00 -1.91 0.08 0.00 0.56 0.00 0.00 36.38 35.10 1nwe s VAL 184 CO 0.00 -0.54 1.20 -2.84 -0.31 0.00 0.00 175.10 172.61 1nwe s PRO 185 N -3.37 1.70 0.47 4.82 0.02 -1.26 -4.52 135.00 132.85 1nwe s PRO 185 Ca 0.19 1.75 0.12 0.00 0.02 0.00 0.00 61.00 63.07 1nwe s PRO 185 Cb -0.02 -1.78 1.08 0.00 0.02 0.00 0.00 34.50 33.80 1nwe s PRO 185 CO 0.05 -2.17 2.10 0.93 -0.33 0.00 0.00 177.00 177.59 1nwe h GLU 186 N -0.84 0.23 -2.93 5.54 3.07 -1.99 -3.44 114.58 114.22 1nwe h GLU 186 Ca -0.46 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.31 1nwe h GLU 186 Cb 1.29 -0.05 -0.16 0.00 -0.84 0.00 0.00 28.75 28.99 1nwe h GLU 186 CO 0.47 0.17 -0.04 -1.54 -1.40 0.00 0.00 179.01 176.66 1nwe s SER 187 N -6.90 -0.35 0.42 1.42 1.04 -1.26 -5.02 113.70 103.05 1nwe s SER 187 Ca -0.06 0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.52 1nwe s SER 187 Cb 0.17 0.46 0.90 0.00 0.10 0.00 0.00 66.02 67.65 1nwe s SER 187 CO 0.70 -0.69 2.06 -0.65 0.98 0.00 0.00 173.24 175.63 1nwe h PRO 188 N 2.89 0.45 0.11 4.02 0.11 -1.92 -2.50 132.00 135.17 1nwe h PRO 188 Ca -0.31 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1nwe h PRO 188 Cb 1.21 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1nwe h PRO 188 CO 0.42 0.32 -0.22 0.00 -0.21 0.00 0.00 178.00 178.31 1nwe h ALA 189 N 1.76 -0.38 -0.30 -0.75 0.00 -1.95 -1.57 119.26 116.07 1nwe h ALA 189 Ca 0.12 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1nwe h ALA 189 Cb -0.02 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nwe h ALA 189 CO -0.02 -0.75 -0.39 0.66 0.00 0.00 0.00 179.25 178.74 1nwe h SER 190 N -0.42 0.76 0.11 0.00 4.64 -1.77 -2.47 113.55 114.40 1nwe h SER 190 Ca 0.03 -0.34 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1nwe h SER 190 Cb 0.44 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1nwe h SER 190 CO -0.12 1.06 -0.05 0.15 -0.87 0.00 0.00 176.83 177.00 1nwe h PHE 191 N 0.59 -0.13 -0.73 4.77 3.57 -1.38 -2.57 116.94 121.06 1nwe h PHE 191 Ca 0.05 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1nwe h PHE 191 Cb 0.92 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1nwe h PHE 191 CO 0.05 0.04 0.25 -0.07 -2.23 0.00 0.00 178.31 176.34 1nwe h LEU 192 N -0.28 1.05 -0.89 0.59 3.38 -1.28 -0.33 115.31 117.55 1nwe h LEU 192 Ca -0.01 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1nwe h LEU 192 Cb 0.23 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1nwe h LEU 192 CO 0.02 0.96 0.54 -1.13 0.09 0.00 0.00 178.44 178.92 1nwe h ASN 193 N 1.08 0.81 -0.42 -0.43 -1.24 -1.42 0.43 115.58 114.39 1nwe h ASN 193 Ca 0.24 0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.17 1nwe h ASN 193 Cb 0.28 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1nwe h ASN 193 CO -0.01 0.47 -0.21 0.15 -1.29 0.00 0.00 177.43 176.54 1nwe h PHE 194 N 0.92 1.01 -0.21 0.67 3.57 -0.90 -2.06 116.94 119.95 1nwe h PHE 194 Ca 0.42 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1nwe h PHE 194 Cb 0.32 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1nwe h PHE 194 CO -0.04 1.04 0.05 1.25 -2.23 0.00 0.00 178.31 178.38 1nwe h LEU 195 N 0.70 0.33 -1.45 0.59 5.85 0.10 -2.35 115.31 119.07 1nwe h LEU 195 Ca 0.09 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1nwe h LEU 195 Cb 0.78 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1nwe h LEU 195 CO 0.06 0.48 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.13 1nwe h PHE 196 N 0.16 0.00 -0.56 1.25 -1.00 -0.21 0.10 116.94 116.69 1nwe h PHE 196 Ca 0.07 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 1nwe h PHE 196 Cb 0.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1nwe h PHE 196 CO 0.01 0.25 0.02 0.87 -1.61 0.00 0.00 178.31 177.86 1nwe h LYS 197 N 0.00 0.97 -0.62 1.51 1.57 -1.17 0.10 116.57 118.94 1nwe h LYS 197 Ca -0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 1nwe h LYS 197 Cb 0.57 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1nwe h LYS 197 CO 0.03 0.97 0.09 0.28 -0.57 0.00 0.00 179.45 180.25 1nwe h VAL 198 N 0.86 1.26 -0.76 0.50 2.07 -0.74 -2.91 116.25 116.52 1nwe h VAL 198 Ca 0.16 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1nwe h VAL 198 Cb 0.51 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1nwe h VAL 198 CO 0.02 0.38 0.47 0.03 0.02 0.00 0.00 177.57 178.49 1nwe h ARG 199 N 0.94 1.03 0.00 1.57 3.08 -0.82 -3.05 114.38 117.13 1nwe h ARG 199 Ca 0.19 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1nwe h ARG 199 Cb 0.44 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1nwe h ARG 199 CO 0.01 0.72 -0.30 0.93 -1.07 0.00 0.00 179.97 180.27 1nwe h GLU 200 N 1.04 0.00 0.00 0.04 5.08 -0.79 -2.79 114.58 117.17 1nwe h GLU 200 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1nwe h GLU 200 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nwe h GLU 200 CO -0.05 0.30 -0.15 0.66 -1.00 0.00 0.00 179.01 178.77 1nwe h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.41 -3.46 113.55 114.73 1nwe h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nwe h SER 201 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1nwe h SER 201 CO 0.04 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1nwe n GLY 202 N -0.16 0.68 0.30 -0.77 0.00 -1.05 -4.95 105.19 99.24 1nwe n GLY 202 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1nwe n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nwe h SER 203 N 0.00 0.00 0.20 1.61 0.02 -1.80 -0.45 113.55 113.14 1nwe h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nwe h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nwe h SER 203 CO 0.00 0.02 -0.92 0.18 -1.14 0.00 0.00 176.83 174.97 1nwe n LEU 204 N -3.18 0.76 -4.74 5.07 4.77 -1.26 -4.31 117.00 114.09 1nwe n LEU 204 Ca -0.01 -0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.37 1nwe n LEU 204 Cb 0.19 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1nwe n LEU 204 CO 0.24 0.17 0.75 -0.44 -1.33 0.00 0.00 177.39 176.79 1nwe s SER 205 N -3.23 4.49 0.27 -1.43 0.01 -0.18 -4.91 113.70 108.72 1nwe s SER 205 Ca 0.07 2.14 0.25 0.00 1.31 0.00 0.00 55.95 59.72 1nwe s SER 205 Cb 0.16 -2.56 0.98 0.00 0.21 0.00 0.00 66.02 64.81 1nwe s SER 205 CO 0.82 -2.05 1.74 -0.65 0.41 0.00 0.00 173.24 173.50 1nwe h PRO 206 N -0.39 0.00 0.00 12.44 0.11 -1.92 -3.00 132.00 139.24 1nwe h PRO 206 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nwe h PRO 206 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1nwe h PRO 206 CO 0.51 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.45 1nwe n GLU 207 N -2.30 0.12 -4.20 1.05 0.00 -1.26 -4.76 120.64 109.29 1nwe n GLU 207 Ca 0.02 0.24 -0.23 0.00 0.00 0.00 0.00 57.16 57.20 1nwe n GLU 207 Cb 0.26 -1.68 -0.06 0.00 0.00 0.00 0.00 31.44 29.97 1nwe n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1nwe s HIS 208 N -3.12 2.92 1.15 -1.84 3.76 -1.13 -5.13 115.29 111.90 1nwe s HIS 208 Ca 0.09 -0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 54.70 1nwe s HIS 208 Cb 0.12 -1.31 0.25 0.00 1.11 0.00 0.00 32.58 32.75 1nwe s HIS 208 CO 0.44 0.57 0.85 0.41 -0.85 0.00 0.00 174.74 176.15 1nwe n GLY 209 N -0.98 -2.00 3.75 -2.22 0.00 -0.08 -4.93 105.19 98.73 1nwe n GLY 209 Ca -0.07 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1nwe n GLY 209 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nwe s PRO 210 N -4.24 3.21 0.41 1.61 0.04 -1.26 -4.36 135.00 130.41 1nwe s PRO 210 Ca 0.66 2.28 -0.25 0.00 0.04 0.00 0.00 61.00 63.73 1nwe s PRO 210 Cb -0.23 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 1nwe s PRO 210 CO 0.65 -1.15 1.20 0.54 0.04 0.00 0.00 177.00 178.28 1nwe s VAL 211 N -1.28 3.02 -0.30 -0.36 0.11 -1.25 -4.44 120.40 115.90 1nwe s VAL 211 Ca 0.70 0.85 -0.15 0.00 -2.93 0.00 0.00 61.98 60.45 1nwe s VAL 211 Cb -0.41 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 1nwe s VAL 211 CO 0.50 0.07 0.37 -0.69 -3.33 0.00 0.00 175.10 172.02 1nwe s VAL 212 N -1.40 5.17 -0.11 2.04 1.01 -0.80 -0.72 120.40 125.58 1nwe s VAL 212 Ca 0.58 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1nwe s VAL 212 Cb -0.32 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1nwe s VAL 212 CO 0.40 0.06 -0.12 -0.69 0.00 0.00 0.00 175.10 174.76 1nwe s VAL 213 N 2.06 3.21 -0.12 2.92 1.01 0.69 0.12 120.40 130.29 1nwe s VAL 213 Ca 0.14 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1nwe s VAL 213 Cb -0.16 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.93 1nwe s VAL 213 CO 0.11 0.54 0.45 -1.38 0.00 0.00 0.00 175.10 174.82 1nwe s HIS 214 N 0.02 -0.45 0.00 5.22 -3.43 -0.48 -1.69 115.29 114.48 1nwe s HIS 214 Ca -0.03 1.01 0.00 0.00 -0.80 0.00 0.00 55.06 55.23 1nwe s HIS 214 Cb -0.14 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1nwe s HIS 214 CO 0.04 -0.32 0.00 0.00 -2.00 0.00 0.00 174.74 172.46 1nwe h SER 216 N 0.00 0.00 0.10 0.00 0.87 -1.91 -2.82 113.55 109.80 1nwe h SER 216 Ca 0.00 -0.64 -0.08 0.00 -1.23 0.00 0.00 61.79 59.84 1nwe h SER 216 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1nwe h SER 216 CO 0.00 0.96 -1.98 0.00 -0.53 0.00 0.00 176.83 175.27 1nwe n ALA 217 N -2.85 2.48 -2.46 6.23 0.00 -1.26 -0.67 120.51 121.98 1nwe n ALA 217 Ca -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 53.44 52.64 1nwe n ALA 217 Cb 0.40 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1nwe n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwe n GLY 218 N 1.36 0.74 0.00 0.00 0.00 -1.24 -3.67 105.19 102.38 1nwe n GLY 218 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1nwe n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nwe n ILE 219 N -2.95 0.00 0.00 -0.61 -5.35 -1.26 -4.50 119.36 104.68 1nwe n ILE 219 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1nwe n ILE 219 Cb 0.51 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1nwe n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nwe n GLY 220 N 1.80 -0.11 0.26 3.28 0.00 -1.26 0.13 105.19 109.28 1nwe n GLY 220 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1nwe n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nwe h ARG 221 N 0.00 0.64 -0.86 1.61 3.08 -1.91 -2.14 114.38 114.80 1nwe h ARG 221 Ca 0.00 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1nwe h ARG 221 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1nwe h ARG 221 CO 0.00 0.77 0.48 0.77 -1.07 0.00 0.00 179.97 180.92 1nwe h SER 222 N 0.58 1.06 -0.16 7.04 0.02 -1.87 -0.79 113.55 119.43 1nwe h SER 222 Ca 0.10 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1nwe h SER 222 Cb 0.60 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1nwe h SER 222 CO 0.04 0.84 -0.26 1.23 -1.14 0.00 0.00 176.83 177.54 1nwe h GLY 223 N 1.19 0.68 0.93 -3.77 0.00 -1.14 -2.41 103.07 98.55 1nwe h GLY 223 Ca 0.30 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1nwe h GLY 223 CO -0.05 0.53 0.07 -0.84 0.00 0.00 0.00 176.54 176.26 1nwe h THR 224 N 0.54 1.24 -0.26 4.70 2.02 -0.90 -0.29 112.91 119.97 1nwe h THR 224 Ca 0.07 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1nwe h THR 224 Cb 0.74 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1nwe h THR 224 CO 0.06 0.29 0.15 0.15 0.37 0.00 0.00 175.52 176.53 1nwe h PHE 225 N 0.50 0.34 -0.09 3.16 3.04 -1.11 -2.69 116.94 120.09 1nwe h PHE 225 Ca 0.12 -0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.86 1nwe h PHE 225 Cb 0.35 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1nwe h PHE 225 CO 0.02 0.27 -0.79 0.00 -2.02 0.00 0.00 178.31 175.79 1nwe h LEU 227 N 0.37 -0.03 -0.49 0.00 5.85 -1.08 -1.13 115.31 118.81 1nwe h LEU 227 Ca -0.05 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1nwe h LEU 227 Cb 1.40 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1nwe h LEU 227 CO 0.15 0.06 0.30 0.00 -0.34 0.00 0.00 178.44 178.61 1nwe h ALA 228 N 0.87 0.62 -0.13 1.25 0.00 -1.48 -1.12 119.26 119.28 1nwe h ALA 228 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nwe h ALA 228 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1nwe h ALA 228 CO 0.01 0.10 0.06 0.22 0.00 0.00 0.00 179.25 179.64 1nwe h ASP 229 N 0.66 0.10 0.07 0.00 3.58 -1.28 -2.38 116.42 117.16 1nwe h ASP 229 Ca 0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1nwe h ASP 229 Cb -0.03 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1nwe h ASP 229 CO -0.03 0.08 -0.03 0.74 -2.88 0.00 0.00 179.24 177.11 1nwe h THR 230 N 0.14 1.00 -0.36 2.25 2.02 -0.93 -1.33 112.91 115.70 1nwe h THR 230 Ca 0.05 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.07 1nwe h THR 230 Cb 0.01 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 1nwe h THR 230 CO -0.03 0.06 -0.11 0.00 0.37 0.00 0.00 175.52 175.80 1nwe h LEU 232 N -0.03 1.07 -0.64 0.00 3.38 -1.31 0.17 115.31 117.95 1nwe h LEU 232 Ca 0.18 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1nwe h LEU 232 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1nwe h LEU 232 CO -0.39 0.83 0.08 0.25 0.09 0.00 0.00 178.44 179.30 1nwe h LEU 233 N 1.23 1.04 -0.44 1.67 6.46 -0.41 -0.56 115.31 124.29 1nwe h LEU 233 Ca 0.32 -0.27 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1nwe h LEU 233 Cb -0.03 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.61 1nwe h LEU 233 CO -0.06 1.04 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.65 1nwe h LEU 234 N 0.99 0.83 -1.22 2.25 3.38 0.06 -1.59 115.31 120.01 1nwe h LEU 234 Ca 0.19 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1nwe h LEU 234 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1nwe h LEU 234 CO 0.02 1.00 0.41 -0.03 0.09 0.00 0.00 178.44 179.92 1nwe h MET 235 N 0.66 0.94 -0.38 1.13 4.05 -0.56 -2.85 114.93 117.92 1nwe h MET 235 Ca 0.11 -0.08 -0.14 0.00 -0.28 0.00 0.00 59.70 59.31 1nwe h MET 235 Cb 0.62 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1nwe h MET 235 CO 0.04 0.66 -0.32 0.22 0.23 0.00 0.00 176.91 177.75 1nwe h ASP 236 N 0.95 0.93 -0.42 1.39 1.82 -0.80 0.12 116.42 120.42 1nwe h ASP 236 Ca 0.25 -0.45 -0.06 0.00 -0.39 0.00 0.00 57.03 56.38 1nwe h ASP 236 Cb -0.03 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.70 1nwe h ASP 236 CO -0.05 1.19 0.06 0.50 -1.61 0.00 0.00 179.24 179.34 1nwe h LYS 237 N 0.69 0.77 0.00 0.28 3.64 -1.13 -3.22 116.57 117.61 1nwe h LYS 237 Ca 0.07 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 1nwe h LYS 237 Cb 0.90 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1nwe h LYS 237 CO 0.08 0.74 -2.04 0.54 -2.27 0.00 0.00 179.45 176.51 1nwe n ARG 238 N -4.25 0.66 -3.81 1.90 1.74 -1.09 -4.99 116.66 106.82 1nwe n ARG 238 Ca 0.03 -0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 56.75 1nwe n ARG 238 Cb 0.26 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1nwe n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nwe n LYS 239 N -2.48 -5.65 -3.38 5.56 4.76 0.42 -4.98 118.16 112.42 1nwe n LYS 239 Ca -0.13 0.63 -0.21 0.00 -2.87 0.00 0.00 58.31 55.74 1nwe n LYS 239 Cb 0.77 -5.45 -0.09 0.00 -1.84 0.00 0.00 35.03 28.42 1nwe n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1nwe s ASP 240 N -3.63 1.62 0.46 4.39 2.15 -1.19 -5.01 116.67 115.44 1nwe s ASP 240 Ca 0.45 -1.86 0.12 0.00 0.43 0.00 0.00 52.55 51.69 1nwe s ASP 240 Cb -0.22 0.27 1.04 0.00 -0.30 0.00 0.00 42.92 43.70 1nwe s ASP 240 CO 0.81 -0.26 2.07 -0.65 -0.17 0.00 0.00 175.17 176.97 1nwe h PRO 241 N 6.89 0.21 0.00 4.34 0.11 -1.94 -2.33 132.00 139.28 1nwe h PRO 241 Ca 0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1nwe h PRO 241 Cb 1.02 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1nwe h PRO 241 CO 0.22 0.19 -0.11 0.77 -0.21 0.00 0.00 178.00 178.86 1nwe h SER 242 N 0.21 0.00 1.64 -2.05 0.02 -1.99 -3.12 113.55 108.26 1nwe h SER 242 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1nwe h SER 242 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1nwe h SER 242 CO -0.00 0.11 0.00 0.77 -1.14 0.00 0.00 176.83 176.56 1nwe h SER 243 N 0.00 0.00 -3.50 3.07 4.64 -1.86 -3.44 113.55 112.46 1nwe h SER 243 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1nwe h SER 243 Cb 0.29 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.26 1nwe h SER 243 CO 0.01 0.00 -0.17 0.54 -0.87 0.00 0.00 176.83 176.34 1nwe s VAL 244 N -3.19 5.18 -0.39 0.95 0.11 -1.18 -5.04 120.40 116.83 1nwe s VAL 244 Ca 0.08 0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 59.79 1nwe s VAL 244 Cb 0.09 -3.75 0.06 0.00 -1.53 0.00 0.00 36.38 31.25 1nwe s VAL 244 CO 0.61 0.23 0.22 -0.62 -3.33 0.00 0.00 175.10 172.21 1nwe s ASP 245 N 1.12 5.57 0.21 3.54 -1.08 -1.26 -4.86 116.67 119.92 1nwe s ASP 245 Ca 0.20 -1.37 -0.10 0.00 -0.52 0.00 0.00 52.55 50.76 1nwe s ASP 245 Cb -0.15 -1.96 0.18 0.00 -1.46 0.00 0.00 42.92 39.53 1nwe s ASP 245 CO 0.08 -0.47 1.87 0.40 0.52 0.00 0.00 175.17 177.58 1nwe h ILE 246 N 6.08 1.17 -0.84 4.11 2.04 -1.99 -1.10 117.51 126.98 1nwe h ILE 246 Ca -0.23 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1nwe h ILE 246 Cb 1.08 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1nwe h ILE 246 CO 0.71 0.18 0.55 0.11 0.00 0.00 0.00 178.15 179.70 1nwe h LYS 247 N 1.00 1.07 -0.10 2.37 1.57 -1.99 -0.31 116.57 120.18 1nwe h LYS 247 Ca 0.29 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1nwe h LYS 247 Cb -0.07 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1nwe h LYS 247 CO -0.08 0.71 -0.57 0.87 -0.57 0.00 0.00 179.45 179.81 1nwe h LYS 248 N 1.10 0.30 -0.31 3.15 1.79 -1.68 -1.92 116.57 119.01 1nwe h LYS 248 Ca 0.32 -0.20 -0.16 0.00 -2.18 0.00 0.00 60.65 58.43 1nwe h LYS 248 Cb -0.08 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1nwe h LYS 248 CO -0.08 0.79 -0.44 0.28 -1.08 0.00 0.00 179.45 178.92 1nwe h VAL 249 N 0.23 1.29 -0.48 0.50 2.07 -0.34 -1.03 116.25 118.49 1nwe h VAL 249 Ca -0.00 -1.63 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 1nwe h VAL 249 Cb 1.07 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1nwe h VAL 249 CO 0.09 0.53 -0.18 0.25 0.02 0.00 0.00 177.57 178.28 1nwe h LEU 250 N 0.63 0.96 -0.71 2.57 5.85 -0.92 -0.40 115.31 123.29 1nwe h LEU 250 Ca 0.04 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1nwe h LEU 250 Cb 1.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1nwe h LEU 250 CO 0.10 1.12 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.98 1nwe h LEU 251 N 0.83 0.72 -0.60 2.25 -0.00 -1.28 0.12 115.31 117.36 1nwe h LEU 251 Ca 0.12 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 1nwe h LEU 251 Cb 0.74 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 1nwe h LEU 251 CO 0.06 0.95 0.33 -0.08 -0.00 0.00 0.00 178.44 179.70 1nwe h GLU 252 N 0.61 0.83 -0.63 1.13 4.57 -0.82 -2.62 114.58 117.65 1nwe h GLU 252 Ca 0.08 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1nwe h GLU 252 Cb 0.76 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 1nwe h GLU 252 CO 0.06 0.63 0.08 0.52 -1.18 0.00 0.00 179.01 179.12 1nwe h MET 253 N 0.81 1.06 0.00 1.92 2.86 -0.82 -2.71 114.93 118.04 1nwe h MET 253 Ca 0.21 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1nwe h MET 253 Cb 0.04 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1nwe h MET 253 CO -0.03 0.98 0.00 0.54 1.06 0.00 0.00 176.91 179.46 1nwe n ARG 254 N -4.21 0.11 0.23 1.72 1.74 0.01 -0.78 116.66 115.47 1nwe n ARG 254 Ca 0.04 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1nwe n ARG 254 Cb 0.30 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.58 1nwe n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1nwe h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.34 -3.34 116.57 119.02 1nwe h LYS 255 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1nwe h LYS 255 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1nwe h LYS 255 CO 0.00 0.09 -2.10 1.19 -0.57 0.00 0.00 179.45 178.06 1nwe n PHE 256 N -3.15 0.00 -3.73 -1.35 3.72 0.04 -4.98 117.46 108.01 1nwe n PHE 256 Ca 0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1nwe n PHE 256 Cb 0.48 -0.76 -0.10 0.00 -0.94 0.00 0.00 39.48 38.16 1nwe n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1nwe s ARG 257 N -2.56 0.49 0.65 -1.08 3.52 -1.16 -4.48 118.95 114.33 1nwe s ARG 257 Ca -0.08 0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 55.98 1nwe s ARG 257 Cb 0.06 0.23 -0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1nwe s ARG 257 CO 0.71 -0.06 1.09 0.00 -0.81 0.00 0.00 175.30 176.23 1nwe s MET 258 N 0.29 2.89 -1.43 5.12 0.23 -1.26 -4.19 119.30 120.95 1nwe s MET 258 Ca -0.01 1.31 0.00 0.00 -1.03 0.00 0.00 55.69 55.97 1nwe s MET 258 Cb -0.03 -1.97 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 1nwe s MET 258 CO -0.00 -1.17 0.00 0.41 -2.03 0.00 0.00 175.02 172.23 1nwe n GLY 259 N -0.74 -0.12 3.70 3.16 0.00 -1.26 -4.88 105.19 105.05 1nwe n GLY 259 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1nwe n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nwe s LEU 260 N -5.48 4.38 0.14 0.99 1.43 -1.26 -4.16 118.68 114.71 1nwe s LEU 260 Ca 0.00 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 1nwe s LEU 260 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1nwe s LEU 260 CO 0.00 -0.93 0.00 -0.38 0.23 0.00 0.00 176.35 175.27 1nwe n ILE 261 N 4.54 -9.69 -0.01 -0.59 5.41 0.12 -4.96 119.36 114.18 1nwe n ILE 261 Ca 0.16 2.30 0.09 0.00 1.00 0.00 0.00 62.75 66.30 1nwe n ILE 261 Cb 0.39 -4.35 -0.15 0.00 -0.71 0.00 0.00 39.64 34.81 1nwe n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nwe n GLN 262 N 1.25 0.62 -4.33 0.38 1.13 -1.26 -4.87 117.38 110.31 1nwe n GLN 262 Ca 0.00 -0.17 -0.17 0.00 -1.94 0.00 0.00 57.00 54.71 1nwe n GLN 262 Cb 0.00 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 28.77 1nwe n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1nwe s THR 263 N -3.34 1.25 0.27 5.09 -4.23 -1.26 -5.04 115.64 108.38 1nwe s THR 263 Ca -0.07 -2.08 0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1nwe s THR 263 Cb 0.12 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1nwe s THR 263 CO 0.83 -0.46 1.61 0.00 -0.54 0.00 0.00 174.62 176.05 1nwe h ALA 264 N 2.53 0.96 -0.36 3.99 0.00 -1.95 -2.86 119.26 121.58 1nwe h ALA 264 Ca -0.38 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 53.87 1nwe h ALA 264 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1nwe h ALA 264 CO 0.64 0.76 -0.19 0.22 0.00 0.00 0.00 179.25 180.68 1nwe h ASP 265 N 0.03 0.69 -0.69 0.00 3.58 -1.96 -1.14 116.42 116.93 1nwe h ASP 265 Ca -0.01 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 1nwe h ASP 265 Cb 1.09 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 1nwe h ASP 265 CO 0.08 0.88 0.28 1.56 -2.88 0.00 0.00 179.24 179.16 1nwe h GLN 266 N 0.61 1.05 -0.48 0.28 4.20 -1.83 0.11 115.11 119.05 1nwe h GLN 266 Ca 0.09 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1nwe h GLN 266 Cb 0.66 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1nwe h GLN 266 CO 0.05 0.85 0.03 1.25 -0.67 0.00 0.00 178.83 180.34 1nwe h LEU 267 N 1.02 0.80 -0.86 1.46 5.85 -1.28 -0.87 115.31 121.43 1nwe h LEU 267 Ca 0.24 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1nwe h LEU 267 Cb 0.20 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1nwe h LEU 267 CO -0.02 0.89 0.55 -0.09 -0.34 0.00 0.00 178.44 179.43 1nwe h ARG 268 N 0.68 1.01 -0.44 1.25 2.43 -0.68 -1.10 114.38 117.54 1nwe h ARG 268 Ca 0.14 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1nwe h ARG 268 Cb 0.47 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1nwe h ARG 268 CO 0.02 0.67 -0.07 0.35 -1.51 0.00 0.00 179.97 179.43 1nwe h PHE 269 N 1.05 0.82 -0.57 2.20 3.04 -0.57 -2.16 116.94 120.75 1nwe h PHE 269 Ca 0.35 -0.13 0.02 0.00 3.98 0.00 0.00 57.97 62.19 1nwe h PHE 269 Cb 0.05 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.31 1nwe h PHE 269 CO -0.02 0.80 0.35 0.77 -2.02 0.00 0.00 178.31 178.19 1nwe h SER 270 N 0.69 0.58 0.18 0.41 0.02 0.09 0.51 113.55 116.03 1nwe h SER 270 Ca 0.13 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1nwe h SER 270 Cb 0.53 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1nwe h SER 270 CO 0.03 0.41 -0.16 1.88 -1.14 0.00 0.00 176.83 177.85 1nwe h TYR 271 N 0.70 -0.41 -0.73 3.45 -1.99 -1.30 -1.92 116.97 114.77 1nwe h TYR 271 Ca 0.22 0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.05 1nwe h TYR 271 Cb -0.00 0.16 -0.07 0.00 2.00 0.00 0.00 36.73 38.81 1nwe h TYR 271 CO -0.05 -0.24 0.38 1.25 -0.00 0.00 0.00 178.16 179.50 1nwe h LEU 272 N -0.35 0.52 -0.65 3.88 5.85 -0.63 0.77 115.31 124.69 1nwe h LEU 272 Ca -0.00 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1nwe h LEU 272 Cb 0.33 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1nwe h LEU 272 CO -0.03 0.30 -0.09 0.00 -0.34 0.00 0.00 178.44 178.28 1nwe h ALA 273 N 1.43 0.85 0.00 1.25 0.00 0.07 -2.38 119.26 120.48 1nwe h ALA 273 Ca 0.36 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1nwe h ALA 273 Cb 0.35 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nwe h ALA 273 CO -0.26 0.65 -1.03 0.28 0.00 0.00 0.00 179.25 178.90 1nwe h VAL 274 N 0.86 1.31 -0.41 0.00 2.07 -0.75 -1.42 116.25 117.91 1nwe h VAL 274 Ca 0.14 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1nwe h VAL 274 Cb 0.63 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1nwe h VAL 274 CO 0.04 0.71 0.22 0.40 0.02 0.00 0.00 177.57 178.96 1nwe h ILE 275 N 0.36 1.16 -0.23 4.57 2.04 -0.87 0.09 117.51 124.63 1nwe h ILE 275 Ca -0.12 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 1nwe h ILE 275 Cb 1.68 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1nwe h ILE 275 CO 0.20 0.17 -0.31 -0.08 0.00 0.00 0.00 178.15 178.12 1nwe h GLU 276 N 0.53 0.61 0.00 2.37 4.57 -1.49 -3.14 114.58 118.03 1nwe h GLU 276 Ca 0.14 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1nwe h GLU 276 Cb 0.07 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1nwe h GLU 276 CO -0.02 0.96 -0.12 0.78 -1.18 0.00 0.00 179.01 179.43 1nwe h GLY 277 N 0.31 0.00 0.77 1.92 0.00 -1.13 -2.30 103.07 102.64 1nwe h GLY 277 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.45 1nwe h GLY 277 CO 0.07 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.16 1nwe h ALA 278 N 1.88 1.69 -0.53 3.60 0.00 -0.92 -2.51 119.26 122.48 1nwe h ALA 278 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1nwe h ALA 278 Cb 0.36 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1nwe h ALA 278 CO 0.02 0.13 0.01 0.87 0.00 0.00 0.00 179.25 180.28 1nwe h LYS 279 N 0.81 0.13 -0.23 0.00 1.57 -1.53 0.37 116.57 117.69 1nwe h LYS 279 Ca 0.39 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.06 1nwe h LYS 279 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1nwe h LYS 279 CO -0.16 0.08 -0.31 0.74 -0.57 0.00 0.00 179.45 179.24 1nwe h PHE 280 N 0.13 0.53 -0.13 -1.35 0.04 -1.58 -2.41 116.94 112.17 1nwe h PHE 280 Ca 0.27 -0.13 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 1nwe h PHE 280 Cb 0.41 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1nwe h PHE 280 CO -0.31 0.72 -0.55 0.82 -0.60 0.00 0.00 178.31 178.39 1nwe h ILE 281 N 0.40 1.35 -0.24 -0.55 1.08 -0.80 -3.25 117.51 115.50 1nwe h ILE 281 Ca 0.05 -1.84 0.00 0.00 -0.39 0.00 0.00 64.86 62.68 1nwe h ILE 281 Cb 0.74 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1nwe h ILE 281 CO 0.06 0.56 0.00 0.23 -0.69 0.00 0.00 178.15 178.30 1nwe n MET 282 N -3.93 1.60 0.00 2.37 2.81 0.11 -4.84 117.12 115.25 1nwe n MET 282 Ca -0.03 -0.89 0.00 0.00 -1.81 0.00 0.00 57.70 54.98 1nwe n MET 282 Cb 0.59 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 1nwe n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nwe n GLY 283 N 0.85 1.35 3.23 3.03 0.00 -1.23 -5.06 105.19 107.36 1nwe n GLY 283 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1nwe n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nwe s ASP 284 N -2.00 6.02 0.35 1.61 2.15 -0.92 -4.93 116.67 118.96 1nwe s ASP 284 Ca 0.00 -2.54 0.18 0.00 0.43 0.00 0.00 52.55 50.62 1nwe s ASP 284 Cb 0.00 -2.06 0.55 0.00 -0.30 0.00 0.00 42.92 41.11 1nwe s ASP 284 CO 0.00 -0.55 1.67 0.28 -0.17 0.00 0.00 175.17 176.40 1nwe h SER 285 N 7.74 0.00 1.09 -0.34 0.02 -1.86 -3.26 113.55 116.94 1nwe h SER 285 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1nwe h SER 285 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1nwe h SER 285 CO 0.78 0.42 0.00 0.77 -1.14 0.00 0.00 176.83 177.66 1nwe h SER 286 N 0.00 0.00 1.05 3.07 4.64 -1.97 -2.89 113.55 117.45 1nwe h SER 286 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1nwe h SER 286 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1nwe h SER 286 CO 0.05 0.00 -0.08 -0.37 -0.87 0.00 0.00 176.83 175.57 1nwe h VAL 287 N 0.00 0.19 -0.39 0.95 -1.51 -1.96 -2.19 116.25 111.34 1nwe h VAL 287 Ca 0.00 -0.75 -0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1nwe h VAL 287 Cb 0.55 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 1nwe h VAL 287 CO 0.00 0.08 0.24 -0.61 -1.23 0.00 0.00 177.57 176.05 1nwe h GLN 288 N 0.00 0.53 0.00 5.19 4.15 -1.73 -0.32 115.11 122.92 1nwe h GLN 288 Ca -0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1nwe h GLN 288 Cb 0.62 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1nwe h GLN 288 CO 0.01 0.38 -0.30 -0.44 -1.93 0.00 0.00 178.83 176.55 1nwe h ASP 289 N 0.52 0.00 0.43 -0.69 3.32 -1.69 -3.09 116.42 115.23 1nwe h ASP 289 Ca 0.14 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1nwe h ASP 289 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1nwe h ASP 289 CO -0.03 0.30 -0.57 1.56 -1.72 0.00 0.00 179.24 178.78 1nwe h GLN 290 N 0.00 0.15 -0.11 3.56 4.20 -0.94 -2.33 115.11 119.64 1nwe h GLN 290 Ca -0.00 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 1nwe h GLN 290 Cb 1.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1nwe h GLN 290 CO 0.04 0.68 -0.54 -1.49 -0.67 0.00 0.00 178.83 176.85 1nwe h TRP 291 N 0.11 0.38 -0.02 2.96 6.55 -1.02 -2.13 115.95 122.79 1nwe h TRP 291 Ca -0.00 -0.13 -0.12 0.00 0.95 0.00 0.00 58.89 59.58 1nwe h TRP 291 Cb 1.04 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 29.25 1nwe h TRP 291 CO 0.01 0.78 -0.57 0.87 -1.05 0.00 0.00 178.44 178.48 1nwe h LYS 292 N 0.24 0.05 0.08 0.49 6.56 -1.44 -1.18 116.57 121.37 1nwe h LYS 292 Ca 0.00 -0.03 -0.26 0.00 -1.06 0.00 0.00 60.65 59.31 1nwe h LYS 292 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 1nwe h LYS 292 CO 0.09 0.60 -1.13 0.93 -2.06 0.00 0.00 179.45 177.88 1nwe h GLU 293 N 0.04 0.32 0.00 3.15 4.39 -1.39 -3.28 114.58 117.81 1nwe h GLU 293 Ca -0.00 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 1nwe h GLU 293 Cb 1.02 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1nwe h GLU 293 CO 0.08 1.18 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.83 1nwe h LEU 294 N 0.13 0.00 0.00 1.33 4.07 -1.26 -3.26 115.31 116.33 1nwe h LEU 294 Ca -0.11 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.72 1nwe h LEU 294 Cb 1.82 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.54 1nwe h LEU 294 CO 0.19 0.21 -0.73 0.77 -1.08 0.00 0.00 178.44 177.80 1nwe h SER 295 N 0.00 0.00 -5.74 -0.43 4.64 -1.33 -3.46 113.55 107.23 1nwe h SER 295 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1nwe h SER 295 Cb 1.15 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.38 1nwe h SER 295 CO 0.03 0.53 -0.79 1.41 -0.87 0.00 0.00 176.83 177.14 1nwe n HIS 296 N -3.15 -2.14 1.43 4.77 8.25 -1.23 -4.96 115.22 118.19 1nwe n HIS 296 Ca -0.01 0.91 0.11 0.00 -0.26 0.00 0.00 57.72 58.48 1nwe n HIS 296 Cb 0.77 -4.86 0.68 0.00 1.12 0.00 0.00 29.99 27.69 1nwe n HIS 296 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13