#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwl n GLU 2 N 0.00 0.21 0.04 3.17 4.07 -1.26 -2.40 120.64 124.46 1nwl n GLU 2 Ca 0.00 0.31 -0.15 0.00 -0.06 0.00 0.00 57.16 57.26 1nwl n GLU 2 Cb 0.00 -1.81 -0.04 0.00 -0.06 0.00 0.00 31.44 29.53 1nwl n GLU 2 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1nwl h MET 3 N 0.00 0.56 -0.11 5.31 4.05 -1.93 -2.77 114.93 120.04 1nwl h MET 3 Ca 0.00 -0.52 -0.11 0.00 -0.28 0.00 0.00 59.70 58.79 1nwl h MET 3 Cb 0.53 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1nwl h MET 3 CO 0.00 1.15 -0.42 1.49 0.23 0.00 0.00 176.91 179.36 1nwl h GLU 4 N 0.35 0.25 -0.06 0.39 4.81 -1.89 0.22 114.58 118.65 1nwl h GLU 4 Ca -0.07 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 58.85 1nwl h GLU 4 Cb 1.48 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 1nwl h GLU 4 CO 0.16 0.63 -0.76 0.87 -0.73 0.00 0.00 179.01 179.18 1nwl h LYS 5 N 0.21 0.39 -0.40 1.92 1.57 -1.57 0.12 116.57 118.80 1nwl h LYS 5 Ca 0.02 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.34 1nwl h LYS 5 Cb 0.83 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1nwl h LYS 5 CO 0.07 0.98 -0.23 1.49 -0.57 0.00 0.00 179.45 181.19 1nwl h GLU 6 N 0.26 0.81 -0.09 3.15 4.81 -1.32 -1.93 114.58 120.25 1nwl h GLU 6 Ca -0.04 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1nwl h GLU 6 Cb 1.35 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1nwl h GLU 6 CO 0.13 0.95 0.04 0.35 -0.73 0.00 0.00 179.01 179.76 1nwl h PHE 7 N 0.70 0.14 -0.00 0.92 3.57 -0.79 -2.51 116.94 118.96 1nwl h PHE 7 Ca 0.10 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1nwl h PHE 7 Cb 0.75 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1nwl h PHE 7 CO 0.04 0.22 -0.22 0.93 -2.23 0.00 0.00 178.31 177.05 1nwl h GLU 8 N 0.02 0.00 0.01 1.11 5.08 -0.95 -1.58 114.58 118.27 1nwl h GLU 8 Ca 0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1nwl h GLU 8 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nwl h GLU 8 CO -0.00 0.22 -0.00 0.37 -1.00 0.00 0.00 179.01 178.59 1nwl h GLN 9 N 0.00 -0.01 -0.28 2.33 4.15 -1.19 -1.40 115.11 118.72 1nwl h GLN 9 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1nwl h GLN 9 Cb 0.39 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1nwl h GLN 9 CO 0.03 0.33 -0.14 0.82 -1.93 0.00 0.00 178.83 177.94 1nwl h ILE 10 N -0.35 1.23 -0.15 2.39 2.04 -1.31 -2.01 117.51 119.35 1nwl h ILE 10 Ca -0.00 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1nwl h ILE 10 Cb 0.35 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1nwl h ILE 10 CO 0.00 0.34 0.02 -0.78 0.00 0.00 0.00 178.15 177.74 1nwl h ASP 11 N 0.45 0.24 -0.01 1.72 3.58 -1.26 0.20 116.42 121.34 1nwl h ASP 11 Ca 0.08 -0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.17 1nwl h ASP 11 Cb 0.52 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1nwl h ASP 11 CO 0.03 0.44 -0.28 0.50 -2.88 0.00 0.00 179.24 177.06 1nwl h LYS 12 N 0.03 0.45 0.00 0.28 3.64 -1.16 -2.97 116.57 116.84 1nwl h LYS 12 Ca 0.05 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1nwl h LYS 12 Cb 0.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1nwl h LYS 12 CO 0.00 0.69 -0.61 -1.13 -2.27 0.00 0.00 179.45 176.14 1nwl n SER 13 N -4.11 0.58 -3.52 4.20 3.41 -0.76 -4.99 113.62 108.43 1nwl n SER 13 Ca -0.01 -0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.30 1nwl n SER 13 Cb 0.42 0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.73 1nwl n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwl n GLY 14 N 1.42 -0.46 1.26 5.00 0.00 0.67 -4.94 105.19 108.14 1nwl n GLY 14 Ca 0.04 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 1nwl n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwl n SER 15 N -3.07 2.56 -0.31 1.61 3.41 -0.93 -4.71 113.62 112.18 1nwl n SER 15 Ca -0.13 -3.77 -0.05 0.00 -0.26 0.00 0.00 58.87 54.65 1nwl n SER 15 Cb 0.61 -0.65 0.08 0.00 -0.26 0.00 0.00 64.21 63.99 1nwl n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1nwl h TRP 16 N 1.01 1.23 -0.36 7.33 4.06 -1.92 -0.96 115.95 126.34 1nwl h TRP 16 Ca 0.26 -0.07 -0.10 0.00 2.06 0.00 0.00 58.89 61.04 1nwl h TRP 16 Cb 1.76 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 29.53 1nwl h TRP 16 CO 1.09 0.89 -0.19 0.00 -3.56 0.00 0.00 178.44 176.68 1nwl h ALA 17 N 1.22 1.00 -0.31 1.49 0.00 -1.91 -1.64 119.26 119.10 1nwl h ALA 17 Ca 0.29 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1nwl h ALA 17 Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nwl h ALA 17 CO -0.03 0.59 -0.38 0.00 0.00 0.00 0.00 179.25 179.43 1nwl h ALA 18 N 1.19 0.47 -0.53 0.00 0.00 -1.81 -1.47 119.26 117.11 1nwl h ALA 18 Ca 0.09 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1nwl h ALA 18 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1nwl h ALA 18 CO 0.05 0.56 0.06 0.82 0.00 0.00 0.00 179.25 180.74 1nwl h ILE 19 N 0.58 1.26 -0.58 0.00 1.08 -1.15 -1.91 117.51 116.79 1nwl h ILE 19 Ca 0.04 -0.99 -0.07 0.00 -0.39 0.00 0.00 64.86 63.45 1nwl h ILE 19 Cb 0.97 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1nwl h ILE 19 CO 0.09 0.36 0.09 0.22 -0.69 0.00 0.00 178.15 178.22 1nwl h TYR 20 N 0.77 0.97 -0.56 1.37 3.20 -1.27 -2.61 116.97 118.85 1nwl h TYR 20 Ca 0.16 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1nwl h TYR 20 Cb 0.44 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1nwl h TYR 20 CO 0.03 0.83 0.07 1.96 -1.64 0.00 0.00 178.16 179.42 1nwl h GLN 21 N 0.88 0.90 -0.40 1.82 1.08 -1.11 -1.12 115.11 117.16 1nwl h GLN 21 Ca 0.18 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1nwl h GLN 21 Cb 0.39 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1nwl h GLN 21 CO 0.01 0.85 0.24 -0.44 -0.95 0.00 0.00 178.83 178.54 1nwl h ASP 22 N 0.85 0.39 -0.31 1.46 3.32 -1.04 0.19 116.42 121.28 1nwl h ASP 22 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1nwl h ASP 22 Cb 0.40 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1nwl h ASP 22 CO 0.01 0.28 0.14 0.40 -1.72 0.00 0.00 179.24 178.35 1nwl h ILE 23 N 0.49 1.17 -0.92 0.35 2.04 -1.27 -1.07 117.51 118.29 1nwl h ILE 23 Ca 0.16 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1nwl h ILE 23 Cb -0.00 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1nwl h ILE 23 CO -0.07 0.17 0.56 -0.09 0.00 0.00 0.00 178.15 178.73 1nwl h ARG 24 N 0.36 0.94 -0.20 2.37 2.43 -0.86 0.13 114.38 119.54 1nwl h ARG 24 Ca 0.11 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 1nwl h ARG 24 Cb 0.14 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1nwl h ARG 24 CO -0.01 0.62 -0.68 1.25 -1.51 0.00 0.00 179.97 179.64 1nwl h HIS 25 N 0.96 1.02 0.00 2.20 2.76 -0.80 -3.22 115.15 118.07 1nwl h HIS 25 Ca 0.43 -0.41 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1nwl h HIS 25 Cb 0.31 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 1nwl h HIS 25 CO -0.03 1.23 -0.07 0.93 -1.30 0.00 0.00 177.93 178.70 1nwl h GLU 26 N 0.56 0.00 -6.84 5.26 5.08 -0.71 -3.47 114.58 114.46 1nwl h GLU 26 Ca -0.02 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.77 1nwl h GLU 26 Cb 1.29 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.67 1nwl h GLU 26 CO 0.14 0.07 0.39 0.00 -1.00 0.00 0.00 179.01 178.60 1nwl n ALA 27 N -2.12 0.95 -1.73 3.43 0.00 0.40 -4.94 120.51 116.50 1nwl n ALA 27 Ca 0.02 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 1nwl n ALA 27 Cb 0.46 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.74 1nwl n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nwl s SER 28 N -0.79 4.83 -0.12 0.00 0.01 -1.26 -5.04 113.70 111.33 1nwl s SER 28 Ca 0.67 2.53 -0.01 0.00 1.31 0.00 0.00 55.95 60.45 1nwl s SER 28 Cb -0.48 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.17 1nwl s SER 28 CO 0.54 -1.84 -0.06 -0.62 0.41 0.00 0.00 173.24 171.66 1nwl s ASP 29 N -1.48 2.24 0.09 2.44 2.15 -1.26 -4.93 116.67 115.91 1nwl s ASP 29 Ca 0.80 -0.34 0.03 0.00 0.43 0.00 0.00 52.55 53.47 1nwl s ASP 29 Cb -0.35 -0.81 -0.03 0.00 -0.30 0.00 0.00 42.92 41.43 1nwl s ASP 29 CO 0.37 -0.14 -0.10 -0.36 -0.17 0.00 0.00 175.17 174.78 1nwl s PHE 30 N 1.72 1.00 0.49 -5.34 0.08 -1.26 -5.14 117.98 109.53 1nwl s PHE 30 Ca 0.04 -0.66 -0.22 0.00 0.12 0.00 0.00 56.93 56.21 1nwl s PHE 30 Cb -0.13 -0.55 -0.06 0.00 -0.57 0.00 0.00 43.02 41.70 1nwl s PHE 30 CO -0.08 -0.03 1.25 -1.25 -0.10 0.00 0.00 175.22 175.01 1nwl s PRO 31 N -2.73 3.51 -0.45 0.24 0.04 -1.26 -4.90 135.00 129.45 1nwl s PRO 31 Ca 0.04 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1nwl s PRO 31 Cb -0.03 -2.35 0.38 0.00 0.04 0.00 0.00 34.50 32.55 1nwl s PRO 31 CO -0.00 -0.81 0.94 0.43 0.04 0.00 0.00 177.00 177.59 1nwl n SER 32 N -0.70 3.14 -0.06 6.66 7.64 -1.26 -1.53 113.62 127.50 1nwl n SER 32 Ca 0.08 -3.36 -0.11 0.00 1.01 0.00 0.00 58.87 56.49 1nwl n SER 32 Cb 0.47 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1nwl n SER 32 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nwl h ARG 33 N 2.89 0.34 -0.85 1.43 -0.00 -1.94 -2.70 114.38 113.55 1nwl h ARG 33 Ca 0.12 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 1nwl h ARG 33 Cb 0.84 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.73 1nwl h ARG 33 CO 0.69 0.49 0.45 0.28 0.00 0.00 0.00 179.97 181.88 1nwl h VAL 34 N 0.13 1.25 -0.78 2.04 2.07 -1.92 -2.47 116.25 116.57 1nwl h VAL 34 Ca 0.06 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1nwl h VAL 34 Cb 0.32 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1nwl h VAL 34 CO 0.00 0.29 0.45 0.00 0.02 0.00 0.00 177.57 178.33 1nwl h ALA 35 N 1.24 1.33 0.00 1.67 0.00 -1.82 -2.94 119.26 118.74 1nwl h ALA 35 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nwl h ALA 35 Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1nwl h ALA 35 CO -0.04 0.57 -0.19 1.63 0.00 0.00 0.00 179.25 181.21 1nwl n LYS 36 N -4.37 0.14 -1.63 0.00 4.76 -0.97 -4.68 118.16 111.41 1nwl n LYS 36 Ca 0.08 0.09 -0.47 0.00 -2.87 0.00 0.00 58.31 55.14 1nwl n LYS 36 Cb 0.08 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 1nwl n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nwl n LEU 37 N -1.87 2.48 0.11 -0.35 4.32 -0.99 -4.88 117.00 115.81 1nwl n LEU 37 Ca 0.06 1.13 0.06 0.00 -0.02 0.00 0.00 56.01 57.24 1nwl n LEU 37 Cb 0.39 -1.34 0.53 0.00 -1.62 0.00 0.00 43.42 41.37 1nwl n LEU 37 CO 0.31 -0.78 1.12 1.55 -1.22 0.00 0.00 177.39 178.37 1nwl h PRO 38 N 4.11 0.29 0.00 3.23 0.13 -1.90 -0.94 132.00 136.92 1nwl h PRO 38 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nwl h PRO 38 Cb 1.30 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nwl h PRO 38 CO 0.75 0.19 0.00 1.57 -0.23 0.00 0.00 178.00 180.28 1nwl h LYS 39 N 0.30 0.00 -0.65 0.86 2.10 -1.95 -2.87 116.57 114.36 1nwl h LYS 39 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1nwl h LYS 39 Cb -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1nwl h LYS 39 CO -0.02 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.52 1nwl n ASN 40 N -2.33 3.74 -0.29 7.07 3.02 -0.36 -4.57 115.26 121.54 1nwl n ASN 40 Ca 0.02 -2.00 -0.04 0.00 -0.03 0.00 0.00 54.58 52.54 1nwl n ASN 40 Cb 0.24 -0.43 0.08 0.00 -0.61 0.00 0.00 39.78 39.06 1nwl n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1nwl h LYS 41 N 3.85 1.03 -0.03 3.52 3.11 -1.53 -2.08 116.57 124.43 1nwl h LYS 41 Ca 0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1nwl h LYS 41 Cb 0.94 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1nwl h LYS 41 CO 0.00 0.68 0.00 0.27 -2.81 0.00 0.00 179.45 177.59 1nwl n ASN 42 N -4.55 0.36 -0.58 4.20 6.94 -1.26 -2.86 115.26 117.51 1nwl n ASN 42 Ca 0.08 -1.41 0.10 0.00 -0.02 0.00 0.00 54.58 53.34 1nwl n ASN 42 Cb 0.03 -0.02 0.02 0.00 -2.36 0.00 0.00 39.78 37.46 1nwl n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1nwl n ARG 43 N -0.58 1.54 -4.64 -3.83 1.74 -0.79 -4.86 116.66 105.25 1nwl n ARG 43 Ca 0.16 -1.19 -0.32 0.00 -0.77 0.00 0.00 57.85 55.73 1nwl n ARG 43 Cb 0.13 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 1nwl n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nwl s ASN 44 N -2.20 4.34 -0.15 0.55 0.02 -1.14 -4.45 114.94 111.93 1nwl s ASN 44 Ca 0.20 -0.18 -0.14 0.00 -1.02 0.00 0.00 52.86 51.71 1nwl s ASN 44 Cb 0.17 -0.96 -0.24 0.00 0.02 0.00 0.00 41.25 40.24 1nwl s ASN 44 CO 0.46 0.31 0.36 -0.09 0.02 0.00 0.00 177.10 178.16 1nwl h ARG 45 N 4.88 0.17 -6.12 -0.60 2.43 -1.90 -3.48 114.38 109.76 1nwl h ARG 45 Ca -0.48 -0.28 -0.60 0.00 -0.81 0.00 0.00 59.98 57.81 1nwl h ARG 45 Cb 1.16 0.11 -0.27 0.00 -0.42 0.00 0.00 29.97 30.55 1nwl h ARG 45 CO 0.52 1.14 -0.85 0.71 -1.51 0.00 0.00 179.97 179.97 1nwl s TYR 46 N -2.47 1.88 0.35 2.20 2.02 -1.26 -5.04 117.35 115.02 1nwl s TYR 46 Ca -0.24 -0.37 0.14 0.00 -0.37 0.00 0.00 57.07 56.23 1nwl s TYR 46 Cb 0.06 -1.15 0.74 0.00 -0.40 0.00 0.00 41.96 41.21 1nwl s TYR 46 CO 0.71 0.05 1.82 0.00 -1.57 0.00 0.00 175.55 176.55 1nwl n ASP 48 N -3.98 3.62 -3.96 0.00 5.75 -1.26 -4.73 116.55 111.99 1nwl n ASP 48 Ca -0.02 -1.99 -0.30 0.00 -0.01 0.00 0.00 54.79 52.47 1nwl n ASP 48 Cb 0.42 -0.33 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 1nwl n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nwl s VAL 49 N -1.29 2.63 0.08 2.12 1.01 -1.19 -5.03 120.40 118.74 1nwl s VAL 49 Ca 0.42 -3.27 0.09 0.00 0.00 0.00 0.00 61.98 59.22 1nwl s VAL 49 Cb 0.23 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1nwl s VAL 49 CO 0.32 -0.80 -0.24 -0.44 0.00 0.00 0.00 175.10 173.94 1nwl s SER 50 N -0.20 3.44 0.12 3.32 0.01 -1.26 -4.72 113.70 114.41 1nwl s SER 50 Ca 0.17 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1nwl s SER 50 Cb -0.25 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.55 1nwl s SER 50 CO -0.01 0.22 1.04 -2.16 0.41 0.00 0.00 173.24 172.74 1nwl s PRO 51 N -1.66 4.62 0.55 12.44 0.04 -1.26 -4.52 135.00 145.21 1nwl s PRO 51 Ca 0.14 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 1nwl s PRO 51 Cb -0.10 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1nwl s PRO 51 CO 0.05 0.09 1.31 1.19 0.04 0.00 0.00 177.00 179.68 1nwl n PHE 52 N 2.88 2.14 -0.32 0.56 3.72 -1.26 -4.62 117.46 120.55 1nwl n PHE 52 Ca 0.04 0.44 -0.04 0.00 -0.05 0.00 0.00 57.45 57.83 1nwl n PHE 52 Cb 0.48 -2.34 0.08 0.00 -0.94 0.00 0.00 39.48 36.76 1nwl n PHE 52 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1nwl h ASP 53 N 1.32 1.04 0.47 4.37 3.32 -1.62 -2.28 116.42 123.04 1nwl h ASP 53 Ca -0.50 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.39 1nwl h ASP 53 Cb 1.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1nwl h ASP 53 CO 0.56 0.81 -0.38 1.12 -1.72 0.00 0.00 179.24 179.64 1nwl h HIS 54 N 1.18 0.00 -0.18 4.55 2.07 -1.92 -3.18 115.15 117.67 1nwl h HIS 54 Ca 0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 1nwl h HIS 54 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1nwl h HIS 54 CO 0.00 0.38 0.00 -1.13 -3.07 0.00 0.00 177.93 174.11 1nwl n SER 55 N -3.93 2.39 -4.77 3.10 3.41 -1.19 -5.04 113.62 107.59 1nwl n SER 55 Ca -0.02 -1.85 -0.37 0.00 -0.26 0.00 0.00 58.87 56.37 1nwl n SER 55 Cb 0.43 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1nwl n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwl s ARG 56 N -0.91 4.06 0.03 4.33 1.70 -0.86 -0.18 118.95 127.11 1nwl s ARG 56 Ca 0.14 1.71 -0.28 0.00 -0.47 0.00 0.00 55.73 56.82 1nwl s ARG 56 Cb 0.07 -2.60 -0.04 0.00 -0.57 0.00 0.00 34.95 31.81 1nwl s ARG 56 CO 0.10 -0.28 0.90 0.42 -1.08 0.00 0.00 175.30 175.37 1nwl s ILE 57 N -1.51 4.77 -0.17 4.99 1.09 -0.58 -4.81 121.20 124.97 1nwl s ILE 57 Ca 0.58 1.92 -0.08 0.00 -1.10 0.00 0.00 60.65 61.97 1nwl s ILE 57 Cb -0.27 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 36.83 1nwl s ILE 57 CO 0.34 0.25 0.09 -0.54 -0.10 0.00 0.00 174.94 174.98 1nwl s LYS 58 N 0.54 3.92 0.39 2.79 1.02 -1.26 -4.24 119.74 122.89 1nwl s LYS 58 Ca 0.47 -0.28 -0.24 0.00 0.02 0.00 0.00 55.97 55.93 1nwl s LYS 58 Cb -0.21 -3.25 -0.09 0.00 -0.52 0.00 0.00 37.83 33.76 1nwl s LYS 58 CO 0.26 0.37 1.07 -0.51 -0.92 0.00 0.00 175.35 175.63 1nwl s LEU 59 N 0.11 4.16 -0.71 3.17 1.43 -0.42 -4.95 118.68 121.47 1nwl s LEU 59 Ca 0.07 2.09 -0.06 0.00 -1.03 0.00 0.00 54.13 55.20 1nwl s LEU 59 Cb -0.12 -4.14 -0.06 0.00 0.03 0.00 0.00 46.19 41.90 1nwl s LEU 59 CO 0.00 -0.51 3.01 1.41 0.23 0.00 0.00 176.35 180.50 1nwl n HIS 60 N -0.00 1.44 -4.38 0.29 8.25 -1.26 -4.63 115.22 114.93 1nwl n HIS 60 Ca 0.05 -2.20 -0.20 0.00 -0.26 0.00 0.00 57.72 55.11 1nwl n HIS 60 Cb 0.49 -1.76 -0.15 0.00 1.12 0.00 0.00 29.99 29.69 1nwl n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1nwl s GLN 61 N 0.03 0.85 0.50 -0.41 -2.07 -1.26 -5.05 119.66 112.26 1nwl s GLN 61 Ca 0.63 -0.31 0.29 0.00 -1.82 0.00 0.00 55.36 54.15 1nwl s GLN 61 Cb 0.28 -0.81 0.94 0.00 -1.09 0.00 0.00 33.01 32.34 1nwl s GLN 61 CO -0.09 0.15 1.83 1.05 -1.32 0.00 0.00 175.29 176.90 1nwl h GLU 62 N 6.18 0.00 0.00 9.60 4.11 -2.02 -3.34 114.58 129.10 1nwl h GLU 62 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1nwl h GLU 62 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1nwl h GLU 62 CO 0.49 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.10 1nwl n ASP 63 N -3.09 0.00 -3.81 3.06 2.03 -1.26 -4.81 116.55 108.67 1nwl n ASP 63 Ca 0.02 0.40 -0.27 0.00 0.52 0.00 0.00 54.79 55.46 1nwl n ASP 63 Cb 0.40 -0.07 -0.17 0.00 -0.72 0.00 0.00 41.12 40.56 1nwl n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1nwl s ASN 64 N -1.76 2.69 -0.01 1.67 3.84 -1.26 -5.01 114.94 115.10 1nwl s ASN 64 Ca 0.00 -0.65 0.10 0.00 0.21 0.00 0.00 52.86 52.52 1nwl s ASN 64 Cb 0.00 -0.72 0.31 0.00 -0.55 0.00 0.00 41.25 40.29 1nwl s ASN 64 CO 0.00 -0.24 1.24 -0.90 -2.79 0.00 0.00 177.10 174.41 1nwl n ASP 65 N 4.98 1.93 -4.74 -4.21 5.68 -1.25 -4.80 116.55 114.14 1nwl n ASP 65 Ca -0.10 -2.04 -0.39 0.00 -0.50 0.00 0.00 54.79 51.76 1nwl n ASP 65 Cb 0.48 -0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.15 1nwl n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1nwl s TYR 66 N -1.57 3.65 -0.05 2.11 5.04 -1.26 -1.30 117.35 123.97 1nwl s TYR 66 Ca 0.23 1.25 -0.06 0.00 -2.44 0.00 0.00 57.07 56.06 1nwl s TYR 66 Cb 0.12 -2.72 0.01 0.00 0.35 0.00 0.00 41.96 39.73 1nwl s TYR 66 CO 0.15 0.23 0.15 -1.50 -1.34 0.00 0.00 175.55 173.24 1nwl s ILE 67 N 0.23 0.02 -1.16 3.14 2.07 -1.26 -4.91 121.20 119.33 1nwl s ILE 67 Ca 0.34 -0.15 -0.22 0.00 -1.41 0.00 0.00 60.65 59.22 1nwl s ILE 67 Cb -0.18 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 1nwl s ILE 67 CO 0.18 -0.08 1.82 0.21 -1.91 0.00 0.00 174.94 175.16 1nwl s ASN 68 N -0.23 5.76 -0.15 4.50 3.84 -1.26 -4.67 114.94 122.72 1nwl s ASN 68 Ca -0.03 -1.73 -0.16 0.00 0.21 0.00 0.00 52.86 51.14 1nwl s ASN 68 Cb -0.03 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 38.14 1nwl s ASN 68 CO 0.00 -2.27 0.45 0.00 -2.79 0.00 0.00 177.10 172.49 1nwl s ALA 69 N 8.13 -1.11 -0.04 1.71 0.00 -1.26 -2.88 121.76 126.31 1nwl s ALA 69 Ca 0.62 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.83 1nwl s ALA 69 Cb -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1nwl s ALA 69 CO 0.07 -0.22 -0.20 -1.12 0.00 0.00 0.00 175.76 174.29 1nwl s SER 70 N 0.08 2.40 -0.37 0.00 0.01 0.10 -1.53 113.70 114.40 1nwl s SER 70 Ca -0.01 -0.39 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 1nwl s SER 70 Cb -0.03 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.66 1nwl s SER 70 CO 0.01 0.20 0.81 -0.22 0.41 0.00 0.00 173.24 174.45 1nwl s LEU 71 N -0.16 4.11 -0.43 2.44 2.96 0.74 -1.22 118.68 127.12 1nwl s LEU 71 Ca -0.00 0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 54.13 1nwl s LEU 71 Cb -0.11 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.54 1nwl s LEU 71 CO 0.02 -0.76 0.41 -0.63 -1.32 0.00 0.00 176.35 174.07 1nwl s ILE 72 N 3.17 5.12 -0.41 6.68 1.01 0.15 -4.88 121.20 132.05 1nwl s ILE 72 Ca 0.33 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 1nwl s ILE 72 Cb -0.13 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.37 1nwl s ILE 72 CO 0.17 -0.43 0.25 -0.75 0.00 0.00 0.00 174.94 174.18 1nwl s LYS 73 N 2.03 2.68 -0.59 2.79 2.20 -1.26 -1.04 119.74 126.54 1nwl s LYS 73 Ca 0.10 -1.35 -0.19 0.00 -0.36 0.00 0.00 55.97 54.17 1nwl s LYS 73 Cb -0.18 -3.77 0.10 0.00 -1.51 0.00 0.00 37.83 32.47 1nwl s LYS 73 CO 0.12 -0.88 0.71 -1.64 -0.36 0.00 0.00 175.35 173.30 1nwl s MET 74 N 1.47 3.05 0.07 4.03 -1.94 0.40 -4.96 119.30 121.42 1nwl s MET 74 Ca 0.02 -1.32 -0.35 0.00 -1.71 0.00 0.00 55.69 52.34 1nwl s MET 74 Cb -0.22 -4.27 -0.18 0.00 2.01 0.00 0.00 34.83 32.18 1nwl s MET 74 CO 0.03 -1.55 1.54 1.49 -0.01 0.00 0.00 175.02 176.52 1nwl h GLU 75 N 9.20 -1.03 -0.72 2.03 4.81 -1.96 -0.88 114.58 126.02 1nwl h GLU 75 Ca -0.29 0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1nwl h GLU 75 Cb 1.09 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1nwl h GLU 75 CO 1.10 -0.69 0.32 1.49 -0.73 0.00 0.00 179.01 180.50 1nwl h GLU 76 N -1.07 1.06 0.00 1.92 4.81 -1.96 -2.38 114.58 116.95 1nwl h GLU 76 Ca -0.08 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1nwl h GLU 76 Cb 0.89 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1nwl h GLU 76 CO 0.02 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 179.15 1nwl n ALA 77 N -2.39 2.14 -3.56 2.92 0.00 -1.22 -4.93 120.51 113.47 1nwl n ALA 77 Ca 0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1nwl n ALA 77 Cb 0.16 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.24 1nwl n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nwl n GLN 78 N -2.02 -6.60 -4.09 0.00 6.02 -0.39 -4.97 117.38 105.34 1nwl n GLN 78 Ca 0.05 0.78 -0.15 0.00 -0.01 0.00 0.00 57.00 57.67 1nwl n GLN 78 Cb 0.35 -5.72 -0.14 0.00 1.02 0.00 0.00 30.24 25.75 1nwl n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1nwl s ARG 79 N -5.82 0.34 0.02 -1.09 3.52 -0.90 -4.86 118.95 110.16 1nwl s ARG 79 Ca 0.21 -0.14 0.07 0.00 -0.13 0.00 0.00 55.73 55.75 1nwl s ARG 79 Cb -0.09 -0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 32.94 1nwl s ARG 79 CO 0.75 0.08 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.98 1nwl s SER 80 N -0.04 2.61 0.01 -2.12 0.01 -1.26 -0.46 113.70 112.45 1nwl s SER 80 Ca 0.01 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1nwl s SER 80 Cb -0.02 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 1nwl s SER 80 CO -0.00 0.21 -0.07 -0.31 0.41 0.00 0.00 173.24 173.48 1nwl s TYR 81 N -0.71 0.61 -0.29 2.43 1.51 -0.21 -3.97 117.35 116.73 1nwl s TYR 81 Ca 0.08 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.82 1nwl s TYR 81 Cb -0.09 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 1nwl s TYR 81 CO 0.01 -0.02 0.18 0.42 -1.11 0.00 0.00 175.55 175.02 1nwl s ILE 82 N -0.49 5.12 -0.21 2.71 1.01 0.47 0.32 121.20 130.14 1nwl s ILE 82 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1nwl s ILE 82 Cb -0.05 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1nwl s ILE 82 CO 0.00 0.21 0.09 -0.76 0.00 0.00 0.00 174.94 174.47 1nwl s LEU 83 N 1.72 3.79 0.20 2.97 1.43 -0.36 0.10 118.68 128.53 1nwl s LEU 83 Ca 0.07 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1nwl s LEU 83 Cb -0.16 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1nwl s LEU 83 CO 0.10 0.10 0.07 0.28 0.23 0.00 0.00 176.35 177.12 1nwl s THR 84 N 0.83 0.41 0.56 5.49 -1.32 -0.39 -0.72 115.64 120.50 1nwl s THR 84 Ca 0.05 -1.98 -0.16 0.00 -1.21 0.00 0.00 61.69 58.39 1nwl s THR 84 Cb -0.13 -2.35 -0.06 0.00 -1.51 0.00 0.00 72.50 68.45 1nwl s THR 84 CO 0.02 -0.23 1.02 0.00 -2.21 0.00 0.00 174.62 173.22 1nwl s GLN 85 N -4.02 3.65 0.04 7.08 -2.07 -1.14 -3.44 119.66 119.76 1nwl s GLN 85 Ca 0.31 1.03 -0.33 0.00 -1.82 0.00 0.00 55.36 54.55 1nwl s GLN 85 Cb 0.07 -2.09 -0.12 0.00 -1.09 0.00 0.00 33.01 29.78 1nwl s GLN 85 CO 0.08 -0.53 1.76 0.41 -1.32 0.00 0.00 175.29 175.70 1nwl n GLY 86 N -1.47 1.38 3.58 2.60 0.00 -0.90 -4.89 105.19 105.49 1nwl n GLY 86 Ca 0.07 0.76 -0.39 0.00 0.00 0.00 0.00 46.02 46.47 1nwl n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nwl n PRO 87 N 5.31 0.93 -3.58 1.61 -0.04 -1.26 -4.79 135.00 133.16 1nwl n PRO 87 Ca 0.20 0.35 -0.25 0.00 -0.04 0.00 0.00 63.50 63.76 1nwl n PRO 87 Cb 0.31 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 1nwl n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nwl s LEU 88 N -1.01 4.14 0.42 1.53 1.43 -1.26 -2.20 118.68 121.72 1nwl s LEU 88 Ca 0.71 0.38 0.24 0.00 -1.03 0.00 0.00 54.13 54.43 1nwl s LEU 88 Cb -0.46 -3.20 1.27 0.00 0.03 0.00 0.00 46.19 43.83 1nwl s LEU 88 CO 0.51 -0.17 1.70 -0.65 0.23 0.00 0.00 176.35 177.97 1nwl h PRO 89 N 1.27 0.23 0.00 1.29 0.11 -1.96 0.16 132.00 133.10 1nwl h PRO 89 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nwl h PRO 89 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nwl h PRO 89 CO 0.64 0.15 -0.46 0.09 -0.21 0.00 0.00 178.00 178.21 1nwl n ASN 90 N -4.66 0.54 -0.39 -2.05 3.02 -1.26 -4.18 115.26 106.28 1nwl n ASN 90 Ca 0.31 0.06 0.04 0.00 -0.03 0.00 0.00 54.58 54.96 1nwl n ASN 90 Cb 1.15 0.05 0.09 0.00 -0.61 0.00 0.00 39.78 40.46 1nwl n ASN 90 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1nwl n THR 91 N -1.82 0.89 -0.34 3.41 -2.24 0.51 -4.66 114.28 110.03 1nwl n THR 91 Ca 0.05 -0.95 -0.01 0.00 -2.27 0.00 0.00 64.05 60.87 1nwl n THR 91 Cb 0.39 0.57 0.15 0.00 -2.10 0.00 0.00 70.33 69.33 1nwl n THR 91 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1nwl h VAL 92 N 1.30 1.24 -0.41 2.28 -1.51 -1.57 0.26 116.25 117.83 1nwl h VAL 92 Ca 0.00 -0.44 -0.14 0.00 -1.23 0.00 0.00 66.70 64.89 1nwl h VAL 92 Cb 0.61 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.61 1nwl h VAL 92 CO 0.00 0.23 -0.29 1.23 -1.23 0.00 0.00 177.57 177.52 1nwl h GLY 93 N 1.28 0.96 0.99 5.19 0.00 -1.89 -2.82 103.07 106.78 1nwl h GLY 93 Ca 0.35 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1nwl h GLY 93 CO -0.08 0.81 0.31 0.45 0.00 0.00 0.00 176.54 178.04 1nwl h HIS 94 N 0.75 0.69 -0.40 5.60 3.86 -1.73 -1.45 115.15 122.48 1nwl h HIS 94 Ca 0.09 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1nwl h HIS 94 Cb 0.85 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 1nwl h HIS 94 CO 0.05 0.48 0.11 0.35 0.86 0.00 0.00 177.93 179.78 1nwl h PHE 95 N 0.70 0.19 0.00 2.45 3.04 -0.85 -0.88 116.94 121.59 1nwl h PHE 95 Ca 0.19 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.02 1nwl h PHE 95 Cb -0.01 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 1nwl h PHE 95 CO -0.02 0.06 -0.64 -1.49 -2.02 0.00 0.00 178.31 174.19 1nwl h TRP 96 N 0.25 0.00 -0.47 0.41 4.06 -1.40 -2.11 115.95 116.69 1nwl h TRP 96 Ca 0.19 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.14 1nwl h TRP 96 Cb 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 1nwl h TRP 96 CO -0.17 0.64 0.31 1.49 -3.56 0.00 0.00 178.44 177.14 1nwl h GLU 97 N 0.00 0.61 -0.22 0.49 4.81 -0.76 -0.65 114.58 118.85 1nwl h GLU 97 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1nwl h GLU 97 Cb 1.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1nwl h GLU 97 CO 0.08 0.40 0.10 1.98 -0.73 0.00 0.00 179.01 180.85 1nwl h MET 98 N 0.63 0.32 -0.72 1.92 4.05 -0.98 0.11 114.93 120.26 1nwl h MET 98 Ca 0.17 -0.05 0.11 0.00 -0.28 0.00 0.00 59.70 59.66 1nwl h MET 98 Cb -0.07 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.59 1nwl h MET 98 CO -0.04 0.33 0.31 0.28 0.23 0.00 0.00 176.91 178.03 1nwl h VAL 99 N 0.22 0.75 0.19 -5.77 2.07 -1.20 0.10 116.25 112.62 1nwl h VAL 99 Ca 0.08 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1nwl h VAL 99 Cb 0.12 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1nwl h VAL 99 CO -0.01 0.09 -0.09 -0.25 0.02 0.00 0.00 177.57 177.33 1nwl h TRP 100 N 0.51 -0.24 -0.14 1.57 2.91 -0.77 -2.15 115.95 117.65 1nwl h TRP 100 Ca 0.37 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.30 1nwl h TRP 100 Cb 0.48 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.20 1nwl h TRP 100 CO -0.14 0.11 -0.29 0.93 -1.03 0.00 0.00 178.44 178.02 1nwl h GLU 101 N -0.62 0.25 -0.01 2.65 5.08 -0.52 -2.45 114.58 118.97 1nwl h GLU 101 Ca -0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1nwl h GLU 101 Cb 0.45 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nwl h GLU 101 CO 0.04 0.53 -0.12 1.04 -1.00 0.00 0.00 179.01 179.50 1nwl n GLN 102 N -4.13 0.82 -2.61 2.33 1.13 0.33 -4.93 117.38 110.32 1nwl n GLN 102 Ca -0.01 -0.34 -0.18 0.00 -1.94 0.00 0.00 57.00 54.53 1nwl n GLN 102 Cb 0.39 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.26 1nwl n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nwl n LYS 103 N -0.80 -2.75 -2.06 -1.09 5.02 -0.92 -4.13 118.16 111.43 1nwl n LYS 103 Ca 0.15 0.82 -0.38 0.00 -2.02 0.00 0.00 58.31 56.88 1nwl n LYS 103 Cb 0.29 -5.35 0.01 0.00 -0.02 0.00 0.00 35.03 29.96 1nwl n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nwl s SER 104 N -2.47 5.96 -0.17 4.39 0.01 -0.83 -1.28 113.70 119.30 1nwl s SER 104 Ca 0.12 2.55 0.09 0.00 1.31 0.00 0.00 55.95 60.02 1nwl s SER 104 Cb -0.05 -2.62 -0.17 0.00 0.21 0.00 0.00 66.02 63.39 1nwl s SER 104 CO 0.15 -1.08 -0.04 -1.14 0.41 0.00 0.00 173.24 171.54 1nwl n ARG 105 N -0.45 1.05 -4.98 12.44 3.00 -1.26 -4.89 116.66 121.58 1nwl n ARG 105 Ca 0.07 0.04 -0.30 0.00 -0.00 0.00 0.00 57.85 57.66 1nwl n ARG 105 Cb 0.46 -1.40 -0.15 0.00 0.00 0.00 0.00 32.46 31.37 1nwl n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nwl s GLY 106 N -5.35 1.37 -0.15 5.14 0.00 -1.26 -0.60 107.32 106.47 1nwl s GLY 106 Ca -0.16 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1nwl s GLY 106 CO 0.56 -1.10 -0.18 0.14 0.00 0.00 0.00 173.10 172.52 1nwl s VAL 107 N -0.77 2.45 -0.23 1.40 1.01 0.71 -1.77 120.40 123.21 1nwl s VAL 107 Ca 0.11 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1nwl s VAL 107 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1nwl s VAL 107 CO 0.01 0.53 -0.01 -0.69 0.00 0.00 0.00 175.10 174.94 1nwl s VAL 108 N 0.77 3.61 -0.18 2.92 1.01 0.14 0.15 120.40 128.82 1nwl s VAL 108 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1nwl s VAL 108 Cb -0.16 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1nwl s VAL 108 CO 0.00 0.37 -0.12 -0.32 0.00 0.00 0.00 175.10 175.03 1nwl s MET 109 N 1.51 3.25 -0.09 2.72 0.00 0.88 -1.24 119.30 126.32 1nwl s MET 109 Ca 0.06 -0.71 0.13 0.00 0.00 0.00 0.00 55.69 55.17 1nwl s MET 109 Cb -0.15 -2.76 0.37 0.00 0.00 0.00 0.00 34.83 32.29 1nwl s MET 109 CO -0.01 -0.09 1.29 1.28 0.00 0.00 0.00 175.02 177.49 1nwl n LEU 110 N 4.38 3.18 -4.27 4.11 4.77 -0.66 -0.54 117.00 127.97 1nwl n LEU 110 Ca -0.19 -2.56 -0.15 0.00 -0.03 0.00 0.00 56.01 53.08 1nwl n LEU 110 Cb 0.51 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1nwl n LEU 110 CO 0.28 0.68 -0.32 0.54 -1.33 0.00 0.00 177.39 177.24 1nwl s ASN 111 N -1.61 1.34 0.27 -1.43 4.22 -1.26 -4.80 114.94 111.67 1nwl s ASN 111 Ca 0.30 -1.20 -0.05 0.00 -2.14 0.00 0.00 52.86 49.77 1nwl s ASN 111 Cb 0.22 0.10 -0.05 0.00 1.28 0.00 0.00 41.25 42.80 1nwl s ASN 111 CO 0.10 -0.57 0.53 -0.13 -2.04 0.00 0.00 177.10 174.98 1nwl s ARG 112 N -3.91 3.62 0.29 3.55 0.52 -1.26 -4.86 118.95 116.90 1nwl s ARG 112 Ca 0.26 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1nwl s ARG 112 Cb 0.06 -2.68 0.48 0.00 0.52 0.00 0.00 34.95 33.34 1nwl s ARG 112 CO 0.06 0.25 1.90 0.28 0.02 0.00 0.00 175.30 177.81 1nwl h VAL 113 N 1.42 1.08 -3.30 3.52 2.07 -1.95 -3.39 116.25 115.69 1nwl h VAL 113 Ca -0.48 -0.37 -0.68 0.00 0.82 0.00 0.00 66.70 65.99 1nwl h VAL 113 Cb 1.19 -0.10 -0.33 0.00 -1.52 0.00 0.00 31.29 30.53 1nwl h VAL 113 CO 0.67 0.20 -0.86 -0.32 0.02 0.00 0.00 177.57 177.27 1nwl s MET 114 N -5.95 3.08 -0.01 1.57 -2.45 -1.26 -1.13 119.30 113.15 1nwl s MET 114 Ca -0.12 -0.85 0.00 0.00 -1.25 0.00 0.00 55.69 53.48 1nwl s MET 114 Cb 0.20 -2.38 0.00 0.00 1.25 0.00 0.00 34.83 33.91 1nwl s MET 114 CO 0.80 0.13 -0.01 -1.21 1.05 0.00 0.00 175.02 175.78 1nwl s GLU 115 N 0.48 0.13 -1.46 4.11 2.02 -0.79 -4.84 118.70 118.34 1nwl s GLU 115 Ca -0.15 -0.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 1nwl s GLU 115 Cb -0.17 -0.17 0.03 0.00 0.10 0.00 0.00 34.13 33.92 1nwl s GLU 115 CO 0.06 0.00 0.61 1.63 0.02 0.00 0.00 175.26 177.57 1nwl n LYS 116 N 3.24 -4.59 -0.95 1.61 5.02 -1.26 -1.91 118.16 119.32 1nwl n LYS 116 Ca -0.15 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1nwl n LYS 116 Cb 0.58 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 1nwl n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nwl n GLY 117 N -1.44 0.29 3.37 0.72 0.00 -1.26 -5.00 105.19 101.87 1nwl n GLY 117 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1nwl n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nwl s SER 118 N -2.10 3.09 -0.32 1.61 0.01 -0.80 -5.10 113.70 110.09 1nwl s SER 118 Ca 0.00 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.15 1nwl s SER 118 Cb 0.00 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1nwl s SER 118 CO 0.00 0.08 1.17 -0.76 0.41 0.00 0.00 173.24 174.14 1nwl s LEU 119 N -2.45 3.90 0.02 2.44 1.43 -1.26 -1.89 118.68 120.87 1nwl s LEU 119 Ca 0.16 1.08 0.22 0.00 -1.03 0.00 0.00 54.13 54.57 1nwl s LEU 119 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1nwl s LEU 119 CO 0.08 -0.98 0.99 0.29 0.23 0.00 0.00 176.35 176.96 1nwl n LYS 120 N 7.10 0.17 -3.61 1.70 4.76 -0.29 -4.98 118.16 123.01 1nwl n LYS 120 Ca 0.13 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1nwl n LYS 120 Cb 0.47 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 32.05 1nwl n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nwl s ALA 122 N 0.13 2.98 -0.92 0.00 0.00 -0.93 -4.84 121.76 118.17 1nwl s ALA 122 Ca -0.01 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 1nwl s ALA 122 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1nwl s ALA 122 CO 0.02 -0.55 1.67 -1.14 0.00 0.00 0.00 175.76 175.76 1nwl s GLN 123 N -2.71 3.07 0.00 0.00 2.00 -1.26 -4.80 119.66 115.96 1nwl s GLN 123 Ca 0.63 -0.58 0.24 0.00 -2.00 0.00 0.00 55.36 53.65 1nwl s GLN 123 Cb -0.26 -5.06 0.20 0.00 0.80 0.00 0.00 33.01 28.68 1nwl s GLN 123 CO 0.32 -2.71 1.26 2.48 -0.50 0.00 0.00 175.29 176.14 1nwl n TYR 124 N 11.27 0.00 -4.24 1.67 4.11 -1.26 -4.89 117.16 123.82 1nwl n TYR 124 Ca 0.32 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 58.02 1nwl n TYR 124 Cb 0.49 -0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.71 1nwl n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1nwl s TRP 125 N -2.04 1.49 0.25 -3.48 -2.14 -1.26 -5.08 118.94 106.69 1nwl s TRP 125 Ca 0.28 -0.48 -0.30 0.00 2.66 0.00 0.00 56.10 58.26 1nwl s TRP 125 Cb 0.20 -0.80 -0.09 0.00 -3.10 0.00 0.00 33.47 29.67 1nwl s TRP 125 CO 0.32 0.15 1.14 -1.25 -2.66 0.00 0.00 176.95 174.66 1nwl s PRO 126 N -2.18 4.57 0.15 3.25 0.04 -1.26 -4.95 135.00 134.62 1nwl s PRO 126 Ca 0.05 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.18 1nwl s PRO 126 Cb -0.08 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.34 1nwl s PRO 126 CO 0.03 0.09 1.08 1.04 0.04 0.00 0.00 177.00 179.29 1nwl n GLN 127 N 1.56 0.49 -4.64 4.56 6.02 -1.26 -4.63 117.38 119.48 1nwl n GLN 127 Ca 0.01 0.08 -0.23 0.00 -0.01 0.00 0.00 57.00 56.85 1nwl n GLN 127 Cb 0.45 -1.75 -0.15 0.00 1.02 0.00 0.00 30.24 29.81 1nwl n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1nwl s LYS 128 N -3.30 1.19 0.41 -1.09 -0.14 -1.26 -5.05 119.74 110.49 1nwl s LYS 128 Ca 0.01 -0.61 0.12 0.00 -1.36 0.00 0.00 55.97 54.13 1nwl s LYS 128 Cb 0.11 -1.17 0.85 0.00 -1.68 0.00 0.00 37.83 35.94 1nwl s LYS 128 CO 0.78 0.31 1.93 1.05 -0.76 0.00 0.00 175.35 178.66 1nwl h GLU 129 N 5.54 0.11 0.00 1.68 9.09 -1.90 -2.58 114.58 126.53 1nwl h GLU 129 Ca -0.36 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.02 1nwl h GLU 129 Cb 1.16 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1nwl h GLU 129 CO 0.47 0.31 0.00 0.93 0.05 0.00 0.00 179.01 180.77 1nwl h GLU 130 N 0.11 0.00 -3.38 1.06 3.07 -1.97 -3.39 114.58 110.08 1nwl h GLU 130 Ca 0.02 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.21 1nwl h GLU 130 Cb 0.40 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 27.94 1nwl h GLU 130 CO 0.03 0.00 -0.38 0.15 -1.40 0.00 0.00 179.01 177.41 1nwl s LYS 131 N -3.21 2.64 0.82 2.33 1.02 -0.97 -5.09 119.74 117.27 1nwl s LYS 131 Ca 0.08 -2.90 -0.11 0.00 0.02 0.00 0.00 55.97 53.06 1nwl s LYS 131 Cb 0.11 -3.66 0.08 0.00 -0.52 0.00 0.00 37.83 33.84 1nwl s LYS 131 CO 0.52 -1.21 1.09 -1.21 -0.92 0.00 0.00 175.35 173.63 1nwl s GLU 132 N -0.71 1.88 -0.11 1.68 8.01 -1.26 -4.62 118.70 123.57 1nwl s GLU 132 Ca 0.21 1.05 -0.02 0.00 0.01 0.00 0.00 54.97 56.22 1nwl s GLU 132 Cb -0.15 -1.86 -0.03 0.00 -4.31 0.00 0.00 34.13 27.78 1nwl s GLU 132 CO -0.07 -1.88 -0.03 -1.64 0.01 0.00 0.00 175.26 171.65 1nwl s MET 133 N -4.91 3.24 -0.14 1.61 -1.94 0.16 -4.98 119.30 112.34 1nwl s MET 133 Ca 0.62 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1nwl s MET 133 Cb -0.18 -2.80 -0.00 0.00 2.01 0.00 0.00 34.83 33.86 1nwl s MET 133 CO 0.56 0.49 -0.17 0.42 -0.01 0.00 0.00 175.02 176.32 1nwl s ILE 134 N -0.31 2.60 -0.50 2.53 1.01 -1.26 -0.41 121.20 124.86 1nwl s ILE 134 Ca 0.05 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 1nwl s ILE 134 Cb -0.12 -2.08 0.12 0.00 0.01 0.00 0.00 42.46 40.38 1nwl s ILE 134 CO 0.02 0.52 0.41 -0.36 0.00 0.00 0.00 174.94 175.54 1nwl s PHE 135 N 0.68 3.32 0.22 3.97 0.08 0.48 -4.96 117.98 121.78 1nwl s PHE 135 Ca -0.08 -1.50 -0.03 0.00 0.12 0.00 0.00 56.93 55.44 1nwl s PHE 135 Cb -0.16 -3.57 0.21 0.00 -0.57 0.00 0.00 43.02 38.94 1nwl s PHE 135 CO 0.02 -0.98 1.63 0.93 -0.10 0.00 0.00 175.22 176.72 1nwl h GLU 136 N 8.68 0.71 -0.11 0.44 5.08 -1.97 0.17 114.58 127.57 1nwl h GLU 136 Ca -0.26 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.73 1nwl h GLU 136 Cb 1.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1nwl h GLU 136 CO 0.94 0.90 -0.26 0.38 -1.00 0.00 0.00 179.01 179.96 1nwl h ASP 137 N 0.61 0.20 -0.10 1.42 2.03 -1.98 -3.14 116.42 115.46 1nwl h ASP 137 Ca 0.08 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1nwl h ASP 137 Cb 0.76 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1nwl h ASP 137 CO 0.06 0.46 0.00 0.35 -1.03 0.00 0.00 179.24 179.08 1nwl n THR 138 N -4.17 0.45 -3.58 1.15 -2.24 -1.15 -5.03 114.28 99.72 1nwl n THR 138 Ca -0.01 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.84 1nwl n THR 138 Cb 0.36 0.86 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1nwl n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nwl n ASN 139 N 0.28 -2.70 -4.11 3.42 5.15 0.54 -4.91 115.26 112.93 1nwl n ASN 139 Ca 0.05 -0.79 -0.22 0.00 -0.60 0.00 0.00 54.58 53.02 1nwl n ASN 139 Cb 0.26 -4.35 -0.15 0.00 -0.53 0.00 0.00 39.78 35.01 1nwl n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nwl s LEU 140 N -6.39 2.03 -0.08 1.20 1.43 -0.89 -1.45 118.68 114.53 1nwl s LEU 140 Ca 0.13 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1nwl s LEU 140 Cb -0.03 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 1nwl s LEU 140 CO 0.79 0.16 -0.07 -0.75 0.23 0.00 0.00 176.35 176.71 1nwl s LYS 141 N -0.36 2.92 -0.07 1.70 2.20 0.35 -0.38 119.74 126.10 1nwl s LYS 141 Ca 0.05 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1nwl s LYS 141 Cb -0.05 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1nwl s LYS 141 CO -0.00 0.57 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.31 1nwl s LEU 142 N -0.54 1.31 -0.06 5.43 2.96 0.45 -0.37 118.68 127.84 1nwl s LEU 142 Ca 0.08 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1nwl s LEU 142 Cb -0.12 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.95 1nwl s LEU 142 CO 0.02 -0.06 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.99 1nwl s THR 143 N 1.13 1.05 -0.12 3.68 2.01 -0.51 -0.66 115.64 122.21 1nwl s THR 143 Ca -0.07 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1nwl s THR 143 Cb -0.14 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1nwl s THR 143 CO -0.01 0.34 1.32 -0.22 -0.69 0.00 0.00 174.62 175.36 1nwl s LEU 144 N 0.70 4.22 -0.21 4.42 2.96 -1.26 -0.79 118.68 128.72 1nwl s LEU 144 Ca -0.14 1.82 -0.06 0.00 -0.22 0.00 0.00 54.13 55.53 1nwl s LEU 144 Cb -0.16 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 1nwl s LEU 144 CO 0.03 -0.76 -0.00 -0.38 -1.32 0.00 0.00 176.35 173.92 1nwl n ILE 145 N 5.25 1.60 -3.46 6.68 2.08 0.40 -4.35 119.36 127.56 1nwl n ILE 145 Ca 0.14 -0.52 -0.11 0.00 0.56 0.00 0.00 62.75 62.82 1nwl n ILE 145 Cb 0.45 -1.65 -0.02 0.00 -0.75 0.00 0.00 39.64 37.66 1nwl n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1nwl s SER 146 N -6.87 -0.52 -0.04 4.38 1.04 -1.08 -4.98 113.70 105.64 1nwl s SER 146 Ca -0.31 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 1nwl s SER 146 Cb 0.09 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1nwl s SER 146 CO 0.64 -0.95 0.09 -0.70 0.98 0.00 0.00 173.24 173.29 1nwl s GLU 147 N -3.68 0.07 -0.32 4.02 2.12 -1.26 -1.09 118.70 118.56 1nwl s GLU 147 Ca 0.02 0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.52 1nwl s GLU 147 Cb -0.01 -0.04 0.10 0.00 0.26 0.00 0.00 34.13 34.44 1nwl s GLU 147 CO -0.11 -0.06 0.11 0.34 -0.54 0.00 0.00 175.26 175.00 1nwl s ASP 148 N 0.41 3.97 -0.22 -1.70 -1.08 -0.25 -5.02 116.67 112.77 1nwl s ASP 148 Ca -0.03 -1.72 -0.20 0.00 -0.52 0.00 0.00 52.55 50.07 1nwl s ASP 148 Cb -0.04 -0.85 -0.02 0.00 -1.46 0.00 0.00 42.92 40.54 1nwl s ASP 148 CO -0.02 -0.40 0.62 -0.63 0.52 0.00 0.00 175.17 175.27 1nwl s ILE 149 N 1.52 5.01 0.47 4.11 1.01 -1.26 -1.97 121.20 130.08 1nwl s ILE 149 Ca 0.11 1.15 0.04 0.00 0.00 0.00 0.00 60.65 61.94 1nwl s ILE 149 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1nwl s ILE 149 CO -0.23 0.08 0.04 -0.54 0.00 0.00 0.00 174.94 174.29 1nwl s LYS 150 N 2.16 2.11 0.26 2.79 1.02 -0.16 -5.02 119.74 122.91 1nwl s LYS 150 Ca 0.27 -2.23 -0.05 0.00 0.02 0.00 0.00 55.97 53.98 1nwl s LYS 150 Cb -0.16 -1.64 0.29 0.00 -0.52 0.00 0.00 37.83 35.81 1nwl s LYS 150 CO 0.09 -0.24 1.94 0.66 -0.92 0.00 0.00 175.35 176.88 1nwl h SER 151 N 1.48 1.12 0.00 2.83 4.64 -2.03 -3.26 113.55 118.33 1nwl h SER 151 Ca -0.43 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nwl h SER 151 Cb 1.28 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1nwl h SER 151 CO 0.75 0.81 -1.53 0.00 -0.87 0.00 0.00 176.83 176.00 1nwl n TYR 152 N -4.39 0.00 -3.82 4.77 4.11 -1.26 -4.86 117.16 111.71 1nwl n TYR 152 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.92 1nwl n TYR 152 Cb 0.01 -0.27 -0.06 0.00 -0.00 0.00 0.00 39.34 39.03 1nwl n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1nwl s TYR 153 N -2.82 0.10 -0.06 -3.48 1.13 -1.23 -2.00 117.35 109.00 1nwl s TYR 153 Ca -0.04 -0.47 0.02 0.00 -1.41 0.00 0.00 57.07 55.18 1nwl s TYR 153 Cb 0.08 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 41.07 1nwl s TYR 153 CO 0.50 -0.74 -0.12 0.99 -2.51 0.00 0.00 175.55 173.67 1nwl s THR 154 N -3.89 1.08 -0.15 -3.49 2.01 0.55 -0.99 115.64 110.76 1nwl s THR 154 Ca 0.10 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1nwl s THR 154 Cb 0.02 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1nwl s THR 154 CO -0.05 0.34 -0.07 0.54 -0.69 0.00 0.00 174.62 174.69 1nwl s VAL 155 N 0.55 3.56 -0.05 3.82 0.11 -0.83 -0.72 120.40 126.84 1nwl s VAL 155 Ca -0.12 -0.48 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 1nwl s VAL 155 Cb -0.14 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1nwl s VAL 155 CO 0.03 0.50 -0.25 -0.13 -3.33 0.00 0.00 175.10 171.92 1nwl s ARG 156 N 0.40 2.44 -0.19 1.54 0.52 0.08 -1.09 118.95 122.65 1nwl s ARG 156 Ca -0.06 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 54.07 1nwl s ARG 156 Cb -0.15 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1nwl s ARG 156 CO 0.04 0.44 0.48 -0.65 0.02 0.00 0.00 175.30 175.62 1nwl s GLN 157 N -0.30 4.21 0.07 3.54 -0.21 -0.25 -0.68 119.66 126.04 1nwl s GLN 157 Ca 0.01 0.36 0.08 0.00 0.02 0.00 0.00 55.36 55.83 1nwl s GLN 157 Cb -0.13 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 1nwl s GLN 157 CO 0.02 -0.07 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.39 1nwl s LEU 158 N 1.40 2.23 -0.19 2.90 1.43 0.39 -0.46 118.68 126.37 1nwl s LEU 158 Ca 0.23 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1nwl s LEU 158 Cb -0.15 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1nwl s LEU 158 CO 0.09 0.14 -0.03 -0.70 0.23 0.00 0.00 176.35 176.09 1nwl s GLU 159 N -1.51 3.55 -0.21 1.70 2.12 0.03 -0.14 118.70 124.24 1nwl s GLU 159 Ca 0.08 -0.56 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 1nwl s GLU 159 Cb -0.09 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 1nwl s GLU 159 CO 0.03 0.02 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.59 1nwl s LEU 160 N 0.95 3.16 -0.15 2.70 2.96 -0.00 -1.42 118.68 126.88 1nwl s LEU 160 Ca 0.01 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1nwl s LEU 160 Cb -0.14 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 1nwl s LEU 160 CO 0.01 0.03 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.22 1nwl s GLU 161 N 1.21 3.21 -0.43 1.98 2.12 0.50 -0.90 118.70 126.39 1nwl s GLU 161 Ca 0.03 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 1nwl s GLU 161 Cb -0.15 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.65 1nwl s GLU 161 CO 0.01 0.02 1.23 1.21 -0.54 0.00 0.00 175.26 177.19 1nwl s ASN 162 N 0.79 6.57 0.47 -1.70 3.84 -0.81 -0.50 114.94 123.60 1nwl s ASN 162 Ca -0.06 0.70 0.29 0.00 0.21 0.00 0.00 52.86 54.00 1nwl s ASN 162 Cb -0.15 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 38.97 1nwl s ASN 162 CO 0.00 -1.26 1.83 -0.07 -2.79 0.00 0.00 177.10 174.81 1nwl h LEU 163 N 11.39 0.00 -0.27 3.21 3.38 -1.56 0.46 115.31 131.92 1nwl h LEU 163 Ca -0.24 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 1nwl h LEU 163 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1nwl h LEU 163 CO 1.10 0.00 -0.72 0.74 0.09 0.00 0.00 178.44 179.65 1nwl h THR 164 N 0.00 1.31 0.00 0.22 2.02 -1.92 -3.36 112.91 111.18 1nwl h THR 164 Ca 0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1nwl h THR 164 Cb 0.67 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1nwl h THR 164 CO 0.00 0.62 -1.28 0.35 0.37 0.00 0.00 175.52 175.58 1nwl n THR 165 N -3.92 0.00 -0.94 3.16 -2.24 -1.13 -5.02 114.28 104.19 1nwl n THR 165 Ca -0.06 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1nwl n THR 165 Cb 0.71 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1nwl n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nwl n GLN 166 N -1.74 -0.23 -2.16 -0.78 6.02 0.16 -5.02 117.38 113.62 1nwl n GLN 166 Ca -0.01 0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 1nwl n GLN 166 Cb 0.25 -3.22 -0.00 0.00 1.02 0.00 0.00 30.24 28.29 1nwl n GLN 166 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1nwl s GLU 167 N -0.35 3.72 0.15 -1.09 2.02 -1.24 -4.86 118.70 117.06 1nwl s GLU 167 Ca 0.00 1.90 0.10 0.00 0.02 0.00 0.00 54.97 56.99 1nwl s GLU 167 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1nwl s GLU 167 CO 0.00 -0.62 -0.24 0.95 0.02 0.00 0.00 175.26 175.38 1nwl s THR 168 N -1.46 2.13 0.01 3.63 -4.23 -1.26 -1.93 115.64 112.52 1nwl s THR 168 Ca 0.63 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1nwl s THR 168 Cb -0.32 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1nwl s THR 168 CO 0.39 -0.07 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.26 1nwl s ARG 169 N -2.34 0.17 -0.20 3.99 0.52 -0.08 -4.98 118.95 116.02 1nwl s ARG 169 Ca 0.15 -0.31 -0.24 0.00 -0.52 0.00 0.00 55.73 54.81 1nwl s ARG 169 Cb -0.09 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.41 1nwl s ARG 169 CO 0.07 -0.02 0.77 -2.00 0.02 0.00 0.00 175.30 174.14 1nwl s GLU 170 N -0.74 4.23 -0.13 3.54 2.12 -1.26 -0.82 118.70 125.64 1nwl s GLU 170 Ca -0.08 0.87 -0.02 0.00 0.36 0.00 0.00 54.97 56.10 1nwl s GLU 170 Cb -0.05 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1nwl s GLU 170 CO -0.00 -0.36 -0.06 0.42 -0.54 0.00 0.00 175.26 174.71 1nwl s ILE 171 N 2.30 3.70 -0.22 -3.70 -1.09 0.80 -4.86 121.20 118.13 1nwl s ILE 171 Ca 0.34 -0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 1nwl s ILE 171 Cb -0.16 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 1nwl s ILE 171 CO 0.10 0.52 0.25 -0.76 -1.23 0.00 0.00 174.94 173.83 1nwl s LEU 172 N 0.07 4.13 -0.36 2.97 1.43 0.24 -0.46 118.68 126.70 1nwl s LEU 172 Ca -0.02 0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1nwl s LEU 172 Cb -0.14 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1nwl s LEU 172 CO 0.03 0.01 0.21 -2.28 0.23 0.00 0.00 176.35 174.55 1nwl s HIS 173 N 1.16 3.23 -0.35 0.29 2.46 0.14 -0.20 115.29 122.02 1nwl s HIS 173 Ca 0.12 -0.79 -0.10 0.00 0.47 0.00 0.00 55.06 54.76 1nwl s HIS 173 Cb -0.14 -2.44 0.01 0.00 -0.13 0.00 0.00 32.58 29.88 1nwl s HIS 173 CO 0.06 -0.58 0.18 -0.06 -2.47 0.00 0.00 174.74 171.87 1nwl s PHE 174 N 1.59 3.22 -0.31 3.88 0.08 0.12 -0.74 117.98 125.82 1nwl s PHE 174 Ca 0.03 -0.81 0.00 0.00 0.12 0.00 0.00 56.93 56.28 1nwl s PHE 174 Cb -0.19 -2.40 0.07 0.00 -0.57 0.00 0.00 43.02 39.93 1nwl s PHE 174 CO 0.07 -0.57 0.01 -1.58 -0.10 0.00 0.00 175.22 173.05 1nwl s HIS 175 N 1.58 3.38 -0.27 0.36 5.65 0.10 -0.09 115.29 126.00 1nwl s HIS 175 Ca 0.03 -2.23 -0.28 0.00 0.25 0.00 0.00 55.06 52.82 1nwl s HIS 175 Cb -0.18 -2.34 0.01 0.00 -1.18 0.00 0.00 32.58 28.89 1nwl s HIS 175 CO 0.06 -0.87 1.03 -0.47 -0.65 0.00 0.00 174.74 173.84 1nwl s TYR 176 N 1.15 3.25 -1.37 3.88 5.04 0.29 -0.33 117.35 129.26 1nwl s TYR 176 Ca -0.02 1.29 0.12 0.00 -2.44 0.00 0.00 57.07 56.03 1nwl s TYR 176 Cb -0.20 -3.43 0.06 0.00 0.35 0.00 0.00 41.96 38.73 1nwl s TYR 176 CO -0.04 -0.60 0.82 0.25 -1.34 0.00 0.00 175.55 174.64 1nwl n THR 177 N 5.56 0.00 -0.39 4.34 -2.24 -0.85 -4.01 114.28 116.69 1nwl n THR 177 Ca 0.11 -0.45 0.05 0.00 -2.27 0.00 0.00 64.05 61.50 1nwl n THR 177 Cb 0.47 1.21 0.14 0.00 -2.10 0.00 0.00 70.33 70.04 1nwl n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nwl n THR 178 N 0.32 1.35 -1.94 4.28 -2.24 -1.22 -4.90 114.28 109.93 1nwl n THR 178 Ca 0.06 -1.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.11 1nwl n THR 178 Cb 0.29 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1nwl n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1nwl s TRP 179 N -1.56 2.46 0.55 4.78 -0.11 -1.26 -4.95 118.94 118.85 1nwl s TRP 179 Ca 0.22 0.34 -0.21 0.00 1.22 0.00 0.00 56.10 57.68 1nwl s TRP 179 Cb 0.15 -3.95 -0.05 0.00 -1.50 0.00 0.00 33.47 28.12 1nwl s TRP 179 CO 0.09 -3.81 1.27 -1.25 -4.62 0.00 0.00 176.95 168.63 1nwl s PRO 180 N 2.58 3.16 0.24 5.86 0.04 -1.26 -4.93 135.00 140.69 1nwl s PRO 180 Ca 0.73 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.73 1nwl s PRO 180 Cb -0.40 -2.15 0.39 0.00 0.04 0.00 0.00 34.50 32.38 1nwl s PRO 180 CO 0.32 -1.11 1.79 -0.44 0.04 0.00 0.00 177.00 177.60 1nwl h ASP 181 N 1.32 0.56 -3.63 6.66 5.19 -1.99 -3.41 116.42 121.12 1nwl h ASP 181 Ca -0.50 0.06 -0.68 0.00 -0.62 0.00 0.00 57.03 55.29 1nwl h ASP 181 Cb 1.29 -0.04 -0.28 0.00 0.18 0.00 0.00 39.33 40.48 1nwl h ASP 181 CO 0.57 0.31 -0.82 -0.36 -3.12 0.00 0.00 179.24 175.82 1nwl s PHE 182 N -6.04 2.65 0.00 4.55 0.08 -1.26 -4.98 117.98 112.99 1nwl s PHE 182 Ca -0.12 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.27 1nwl s PHE 182 Cb 0.19 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1nwl s PHE 182 CO 0.77 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 1nwl n GLY 183 N 3.16 -0.42 3.62 4.36 0.00 -1.26 -4.93 105.19 109.71 1nwl n GLY 183 Ca -0.18 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 1nwl n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nwl s VAL 184 N 0.00 2.61 0.58 1.61 -7.23 -1.26 -4.72 120.40 111.99 1nwl s VAL 184 Ca 0.00 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 1nwl s VAL 184 Cb 0.00 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1nwl s VAL 184 CO 0.00 -0.21 1.28 -2.84 -0.31 0.00 0.00 175.10 173.02 1nwl s PRO 185 N -3.70 3.00 0.10 4.82 0.02 -1.26 -4.87 135.00 133.11 1nwl s PRO 185 Ca 0.34 2.02 -0.15 0.00 0.02 0.00 0.00 61.00 63.24 1nwl s PRO 185 Cb -0.00 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1nwl s PRO 185 CO 0.19 -1.23 1.43 1.49 -0.33 0.00 0.00 177.00 178.55 1nwl h GLU 186 N 1.12 0.70 -6.09 5.54 4.81 -1.99 -3.43 114.58 115.23 1nwl h GLU 186 Ca -0.51 -0.36 -0.69 0.00 -0.13 0.00 0.00 59.36 57.68 1nwl h GLU 186 Cb 1.30 0.01 -0.29 0.00 0.63 0.00 0.00 28.75 30.40 1nwl h GLU 186 CO 0.56 0.97 -0.86 0.45 -0.73 0.00 0.00 179.01 179.40 1nwl s SER 187 N -6.52 3.31 0.00 1.04 0.15 -1.26 -5.02 113.70 105.40 1nwl s SER 187 Ca -0.12 -0.44 0.30 0.00 0.70 0.00 0.00 55.95 56.39 1nwl s SER 187 Cb 0.09 -0.84 1.72 0.00 -1.71 0.00 0.00 66.02 65.28 1nwl s SER 187 CO 0.83 0.26 2.10 -0.81 1.20 0.00 0.00 173.24 176.82 1nwl n PRO 188 N 2.82 0.82 -0.16 5.44 -0.04 -1.26 -4.25 135.00 138.37 1nwl n PRO 188 Ca -0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1nwl n PRO 188 Cb 0.52 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 1nwl n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nwl h ALA 189 N 3.77 0.54 -0.27 0.55 0.00 -1.97 0.10 119.26 121.98 1nwl h ALA 189 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1nwl h ALA 189 Cb 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nwl h ALA 189 CO 0.00 -0.34 -0.07 0.77 0.00 0.00 0.00 179.25 179.61 1nwl h SER 190 N 0.19 0.53 -0.30 0.00 0.02 -2.00 -1.61 113.55 110.39 1nwl h SER 190 Ca 0.26 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1nwl h SER 190 Cb 0.36 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1nwl h SER 190 CO -0.36 0.78 0.20 0.15 -1.14 0.00 0.00 176.83 176.45 1nwl h PHE 191 N 0.28 0.37 -0.52 3.45 3.57 -1.73 -0.33 116.94 122.03 1nwl h PHE 191 Ca 0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1nwl h PHE 191 Cb 0.55 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1nwl h PHE 191 CO 0.05 0.23 0.22 -0.07 -2.23 0.00 0.00 178.31 176.52 1nwl h LEU 192 N 0.40 0.71 -1.06 0.59 3.38 -0.97 -0.12 115.31 118.25 1nwl h LEU 192 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nwl h LEU 192 Cb -0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1nwl h LEU 192 CO -0.02 0.68 0.44 -1.13 0.09 0.00 0.00 178.44 178.49 1nwl h ASN 193 N 0.71 0.98 -0.25 -0.43 -1.24 -1.11 -0.25 115.58 113.98 1nwl h ASN 193 Ca 0.18 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1nwl h ASN 193 Cb 0.18 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1nwl h ASN 193 CO -0.02 0.78 0.16 0.15 -1.29 0.00 0.00 177.43 177.21 1nwl h PHE 194 N 1.10 0.32 -0.17 0.67 3.57 -0.68 -1.86 116.94 119.91 1nwl h PHE 194 Ca 0.28 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1nwl h PHE 194 Cb 0.02 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1nwl h PHE 194 CO 0.01 0.23 -0.18 1.25 -2.23 0.00 0.00 178.31 177.38 1nwl h LEU 195 N 0.32 -0.58 -1.45 0.59 6.46 -0.43 -1.78 115.31 118.44 1nwl h LEU 195 Ca 0.09 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1nwl h LEU 195 Cb -0.01 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 1nwl h LEU 195 CO -0.02 -0.23 0.44 -0.26 -0.62 0.00 0.00 178.44 177.75 1nwl h PHE 196 N -0.21 0.68 -0.56 1.25 0.04 -0.93 -0.23 116.94 116.98 1nwl h PHE 196 Ca 0.11 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 1nwl h PHE 196 Cb 0.38 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1nwl h PHE 196 CO -0.31 0.36 -0.06 0.87 -0.60 0.00 0.00 178.31 178.58 1nwl h LYS 197 N 0.68 1.03 -0.28 1.51 6.56 -0.73 0.48 116.57 125.81 1nwl h LYS 197 Ca 0.28 -0.35 -0.04 0.00 -1.06 0.00 0.00 60.65 59.49 1nwl h LYS 197 Cb 0.26 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1nwl h LYS 197 CO -0.09 1.04 0.04 0.28 -2.06 0.00 0.00 179.45 178.66 1nwl h VAL 198 N 0.93 1.24 -0.09 0.50 2.07 -0.48 -3.07 116.25 117.34 1nwl h VAL 198 Ca 0.15 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1nwl h VAL 198 Cb 0.61 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1nwl h VAL 198 CO 0.04 0.26 -0.22 0.03 0.02 0.00 0.00 177.57 177.70 1nwl h ARG 199 N 0.29 -0.29 -0.03 1.57 3.08 -0.90 -2.74 114.38 115.36 1nwl h ARG 199 Ca 0.08 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1nwl h ARG 199 Cb 0.35 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1nwl h ARG 199 CO 0.01 -0.19 0.09 0.93 -1.07 0.00 0.00 179.97 179.74 1nwl h GLU 200 N -0.30 0.00 0.00 0.04 5.08 -0.87 -1.98 114.58 116.55 1nwl h GLU 200 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nwl h GLU 200 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nwl h GLU 200 CO -0.27 0.00 -0.24 -1.13 -1.00 0.00 0.00 179.01 176.38 1nwl n SER 201 N -3.28 0.25 0.00 1.42 3.41 -1.03 -4.93 113.62 109.46 1nwl n SER 201 Ca -0.02 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1nwl n SER 201 Cb 0.17 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1nwl n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwl n GLY 202 N 1.49 0.72 0.26 5.00 0.00 -0.74 -4.94 105.19 106.99 1nwl n GLY 202 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1nwl n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nwl h SER 203 N 0.00 0.00 -0.44 1.61 0.02 -1.76 -2.71 113.55 110.27 1nwl h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nwl h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nwl h SER 203 CO 0.00 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.95 1nwl n LEU 204 N -3.25 3.40 -4.86 5.07 4.77 -1.26 -4.04 117.00 116.83 1nwl n LEU 204 Ca -0.00 -1.67 -0.32 0.00 -0.03 0.00 0.00 56.01 53.99 1nwl n LEU 204 Cb 0.32 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1nwl n LEU 204 CO 0.29 0.78 0.29 -0.44 -1.33 0.00 0.00 177.39 176.98 1nwl s SER 205 N -1.24 6.68 0.59 -1.43 0.01 -1.02 -4.85 113.70 112.44 1nwl s SER 205 Ca 0.37 1.06 0.36 0.00 1.31 0.00 0.00 55.95 59.05 1nwl s SER 205 Cb 0.21 -2.28 1.84 0.00 0.21 0.00 0.00 66.02 66.00 1nwl s SER 205 CO 0.28 -0.13 2.18 1.55 0.41 0.00 0.00 173.24 177.53 1nwl h PRO 206 N 2.41 0.00 0.00 12.44 0.13 -1.89 -2.05 132.00 143.04 1nwl h PRO 206 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nwl h PRO 206 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nwl h PRO 206 CO 0.68 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 1nwl n GLU 207 N -3.27 0.14 -4.42 0.86 0.00 -1.26 -4.71 120.64 107.97 1nwl n GLU 207 Ca -0.02 0.17 -0.24 0.00 0.00 0.00 0.00 57.16 57.07 1nwl n GLU 207 Cb 0.18 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.03 1nwl n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1nwl s HIS 208 N -2.75 2.40 1.18 -1.84 3.76 -0.77 -5.14 115.29 112.12 1nwl s HIS 208 Ca 0.13 -0.30 -0.13 0.00 -0.15 0.00 0.00 55.06 54.61 1nwl s HIS 208 Cb 0.11 -1.06 0.29 0.00 1.11 0.00 0.00 32.58 33.04 1nwl s HIS 208 CO 0.27 0.68 1.03 0.20 -0.85 0.00 0.00 174.74 176.07 1nwl s GLY 209 N -3.49 1.55 0.35 -2.22 0.00 -0.40 -4.85 107.32 98.26 1nwl s GLY 209 Ca 0.30 -0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.65 1nwl s GLY 209 CO 0.16 0.64 1.37 2.56 0.00 0.00 0.00 173.10 177.83 1nwl s PRO 210 N -4.42 4.26 0.42 2.90 0.04 -1.26 -4.37 135.00 132.58 1nwl s PRO 210 Ca 0.69 2.33 -0.26 0.00 0.04 0.00 0.00 61.00 63.80 1nwl s PRO 210 Cb -0.25 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 1nwl s PRO 210 CO 0.65 -0.31 1.39 1.55 0.04 0.00 0.00 177.00 180.31 1nwl n VAL 211 N 0.66 2.56 -3.44 -0.36 3.14 -1.25 -4.46 118.33 115.18 1nwl n VAL 211 Ca 0.00 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.48 1nwl n VAL 211 Cb 0.41 -1.77 -0.10 0.00 -1.06 0.00 0.00 33.84 31.33 1nwl n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1nwl s VAL 212 N -1.18 5.20 -0.10 1.55 1.01 -0.73 -0.40 120.40 125.77 1nwl s VAL 212 Ca 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1nwl s VAL 212 Cb -0.48 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1nwl s VAL 212 CO 0.59 -0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 1nwl s VAL 213 N 1.94 3.05 0.02 2.92 1.01 0.11 0.28 120.40 129.73 1nwl s VAL 213 Ca 0.10 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1nwl s VAL 213 Cb -0.17 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1nwl s VAL 213 CO 0.11 0.55 0.28 -1.38 0.00 0.00 0.00 175.10 174.67 1nwl s HIS 214 N -0.11 -0.11 0.00 5.22 -3.43 -0.38 -1.26 115.29 115.23 1nwl s HIS 214 Ca -0.02 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 1nwl s HIS 214 Cb -0.14 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.08 1nwl s HIS 214 CO 0.04 -0.43 0.00 0.00 -2.00 0.00 0.00 174.74 172.34 1nwl h SER 216 N 0.00 -0.28 0.00 0.00 0.87 -1.92 -2.40 113.55 109.83 1nwl h SER 216 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1nwl h SER 216 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1nwl h SER 216 CO 0.00 0.20 -1.14 0.00 -0.53 0.00 0.00 176.83 175.36 1nwl n ALA 217 N -2.57 3.89 -2.88 6.23 0.00 -1.26 -2.25 120.51 121.67 1nwl n ALA 217 Ca -0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1nwl n ALA 217 Cb 0.26 -0.65 0.03 0.00 0.00 0.00 0.00 19.45 19.09 1nwl n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwl n GLY 218 N 1.43 0.23 0.08 0.00 0.00 -1.22 -4.02 105.19 101.70 1nwl n GLY 218 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1nwl n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nwl n ILE 219 N -3.70 0.00 0.00 -0.61 -5.35 -1.26 -4.44 119.36 104.00 1nwl n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1nwl n ILE 219 Cb 0.54 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1nwl n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nwl n GLY 220 N 1.66 -0.24 0.18 3.28 0.00 -1.26 -1.77 105.19 107.03 1nwl n GLY 220 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1nwl n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nwl h ARG 221 N 0.00 0.28 -0.80 1.61 3.08 -1.95 -2.96 114.38 113.63 1nwl h ARG 221 Ca 0.00 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1nwl h ARG 221 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1nwl h ARG 221 CO 0.00 0.78 0.48 0.77 -1.07 0.00 0.00 179.97 180.93 1nwl h SER 222 N 0.21 0.96 -0.65 7.04 0.02 -1.88 -1.91 113.55 117.34 1nwl h SER 222 Ca -0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1nwl h SER 222 Cb 1.09 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1nwl h SER 222 CO 0.09 0.75 0.39 1.23 -1.14 0.00 0.00 176.83 178.14 1nwl h GLY 223 N 1.10 0.95 0.92 -3.77 0.00 -1.31 -2.61 103.07 98.36 1nwl h GLY 223 Ca 0.29 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1nwl h GLY 223 CO -0.05 0.39 0.31 -0.84 0.00 0.00 0.00 176.54 176.35 1nwl h THR 224 N 0.89 1.08 -0.02 4.70 2.02 -1.29 0.33 112.91 120.61 1nwl h THR 224 Ca 0.23 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1nwl h THR 224 Cb -0.01 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1nwl h THR 224 CO -0.04 0.11 -0.06 0.15 0.37 0.00 0.00 175.52 176.05 1nwl h PHE 225 N 0.62 -0.14 -0.30 3.16 3.57 -1.17 -1.34 116.94 121.35 1nwl h PHE 225 Ca 0.20 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.54 1nwl h PHE 225 Cb -0.01 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1nwl h PHE 225 CO -0.06 -0.09 -0.46 0.00 -2.23 0.00 0.00 178.31 175.47 1nwl h LEU 227 N 0.64 0.32 0.01 0.00 5.85 -0.84 -1.83 115.31 119.46 1nwl h LEU 227 Ca 0.04 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1nwl h LEU 227 Cb 1.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1nwl h LEU 227 CO 0.10 0.43 -0.01 0.00 -0.34 0.00 0.00 178.44 178.63 1nwl h ALA 228 N 0.90 -0.02 -0.60 1.25 0.00 -1.26 -1.60 119.26 117.93 1nwl h ALA 228 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nwl h ALA 228 Cb 0.22 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1nwl h ALA 228 CO -0.00 -0.47 0.32 0.22 0.00 0.00 0.00 179.25 179.32 1nwl h ASP 229 N -0.11 0.47 -0.09 0.00 3.58 -1.44 -1.62 116.42 117.22 1nwl h ASP 229 Ca -0.00 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1nwl h ASP 229 Cb 0.10 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 1nwl h ASP 229 CO 0.00 0.31 -0.04 0.74 -2.88 0.00 0.00 179.24 177.38 1nwl h THR 230 N 0.61 1.32 -0.64 2.25 2.02 -1.27 -1.90 112.91 115.30 1nwl h THR 230 Ca 0.27 -1.04 0.08 0.00 0.77 0.00 0.00 66.41 66.49 1nwl h THR 230 Cb 0.16 1.83 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 1nwl h THR 230 CO -0.17 0.29 0.29 0.00 0.37 0.00 0.00 175.52 176.30 1nwl h LEU 232 N 0.51 0.93 -0.77 0.00 3.38 -1.29 -1.86 115.31 116.20 1nwl h LEU 232 Ca 0.31 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nwl h LEU 232 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1nwl h LEU 232 CO -0.27 1.06 0.47 0.25 0.09 0.00 0.00 178.44 180.04 1nwl h LEU 233 N 0.78 0.93 -0.81 1.67 5.85 -0.94 -2.75 115.31 120.03 1nwl h LEU 233 Ca 0.13 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1nwl h LEU 233 Cb 0.64 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1nwl h LEU 233 CO 0.04 0.72 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.72 1nwl h LEU 234 N 1.06 0.80 -1.80 2.25 3.38 -0.77 -2.02 115.31 118.21 1nwl h LEU 234 Ca 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nwl h LEU 234 Cb -0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1nwl h LEU 234 CO -0.05 0.91 -0.15 0.24 0.09 0.00 0.00 178.44 179.47 1nwl h MET 235 N 0.75 0.00 0.00 1.13 2.86 -1.16 0.34 114.93 118.85 1nwl h MET 235 Ca 0.13 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 1nwl h MET 235 Cb 0.55 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1nwl h MET 235 CO 0.03 0.15 -0.90 -0.44 1.06 0.00 0.00 176.91 176.81 1nwl h ASP 236 N 0.00 0.00 0.07 1.22 3.32 -1.15 -3.39 116.42 116.50 1nwl h ASP 236 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1nwl h ASP 236 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1nwl h ASP 236 CO 0.02 0.90 -1.62 0.50 -1.72 0.00 0.00 179.24 177.32 1nwl h LYS 237 N 0.00 0.15 -6.96 3.56 3.64 -0.69 -3.48 116.57 112.79 1nwl h LYS 237 Ca -0.01 -0.26 -0.50 0.00 -1.27 0.00 0.00 60.65 58.61 1nwl h LYS 237 Cb 1.68 0.10 0.05 0.00 -0.41 0.00 0.00 32.23 33.64 1nwl h LYS 237 CO 0.12 1.12 0.48 1.03 -2.27 0.00 0.00 179.45 179.93 1nwl s ARG 238 N -2.47 4.03 -0.15 1.90 0.52 0.05 -5.00 118.95 117.83 1nwl s ARG 238 Ca -0.25 1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 56.42 1nwl s ARG 238 Cb 0.06 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 1nwl s ARG 238 CO 0.69 -0.31 1.38 0.15 0.02 0.00 0.00 175.30 177.23 1nwl s LYS 239 N -2.41 4.18 0.00 3.54 1.02 -1.26 -4.16 119.74 120.65 1nwl s LYS 239 Ca 0.58 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.34 1nwl s LYS 239 Cb -0.28 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 1nwl s LYS 239 CO 0.35 -0.79 0.00 -3.47 -0.92 0.00 0.00 175.35 170.52 1nwl n ASP 240 N 6.87 -1.88 0.26 2.83 2.03 -1.26 -4.90 116.55 120.50 1nwl n ASP 240 Ca 0.15 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.64 1nwl n ASP 240 Cb 0.44 -0.94 0.92 0.00 -0.72 0.00 0.00 41.12 40.82 1nwl n ASP 240 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nwl h PRO 241 N 0.00 0.00 0.00 -0.67 0.11 -1.79 -2.09 132.00 127.56 1nwl h PRO 241 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nwl h PRO 241 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nwl h PRO 241 CO 0.00 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 178.56 1nwl h SER 242 N 0.00 0.00 0.75 -2.05 0.02 -1.93 -2.98 113.55 107.36 1nwl h SER 242 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1nwl h SER 242 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1nwl h SER 242 CO -0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 1nwl n SER 243 N -2.43 0.00 -4.60 3.07 3.41 -0.79 -4.74 113.62 107.55 1nwl n SER 243 Ca 0.02 0.42 -0.43 0.00 -0.26 0.00 0.00 58.87 58.62 1nwl n SER 243 Cb 0.24 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1nwl n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nwl s VAL 244 N -2.94 3.80 -0.41 -3.33 1.01 -1.13 -4.97 120.40 112.44 1nwl s VAL 244 Ca 0.13 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.76 1nwl s VAL 244 Cb 0.15 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1nwl s VAL 244 CO 0.42 -0.73 0.31 -0.62 0.00 0.00 0.00 175.10 174.47 1nwl s ASP 245 N 4.47 6.12 0.25 3.32 -1.08 -1.26 -4.96 116.67 123.52 1nwl s ASP 245 Ca 0.64 -0.89 -0.05 0.00 -0.52 0.00 0.00 52.55 51.74 1nwl s ASP 245 Cb -0.15 -2.16 0.33 0.00 -1.46 0.00 0.00 42.92 39.48 1nwl s ASP 245 CO 0.32 -0.46 1.89 -0.29 0.52 0.00 0.00 175.17 177.15 1nwl h ILE 246 N 5.64 1.13 -0.78 4.11 2.10 -1.99 -0.71 117.51 127.02 1nwl h ILE 246 Ca -0.27 -0.40 -0.03 0.00 1.08 0.00 0.00 64.86 65.24 1nwl h ILE 246 Cb 1.12 -0.14 -0.04 0.00 -1.09 0.00 0.00 36.82 36.67 1nwl h ILE 246 CO 0.73 0.21 0.37 0.11 -1.08 0.00 0.00 178.15 178.50 1nwl h LYS 247 N 1.18 1.11 -0.44 2.19 1.57 -1.99 0.08 116.57 120.27 1nwl h LYS 247 Ca 0.39 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1nwl h LYS 247 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1nwl h LYS 247 CO -0.14 0.85 -0.28 0.87 -0.57 0.00 0.00 179.45 180.18 1nwl h LYS 248 N 1.10 0.95 -0.37 3.15 1.57 -1.73 -1.83 116.57 119.41 1nwl h LYS 248 Ca 0.27 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1nwl h LYS 248 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1nwl h LYS 248 CO -0.03 1.10 0.01 0.28 -0.57 0.00 0.00 179.45 180.23 1nwl h VAL 249 N 0.80 1.26 -0.40 0.50 2.07 -0.89 -2.22 116.25 117.37 1nwl h VAL 249 Ca 0.09 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1nwl h VAL 249 Cb 0.86 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1nwl h VAL 249 CO 0.08 0.32 0.23 0.25 0.02 0.00 0.00 177.57 178.47 1nwl h LEU 250 N 0.46 0.35 -1.31 2.57 5.85 -0.92 -0.72 115.31 121.60 1nwl h LEU 250 Ca 0.10 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1nwl h LEU 250 Cb 0.45 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1nwl h LEU 250 CO 0.02 0.26 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.29 1nwl h LEU 251 N 0.46 0.42 -0.55 2.25 3.38 -1.28 0.21 115.31 120.19 1nwl h LEU 251 Ca 0.16 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1nwl h LEU 251 Cb 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1nwl h LEU 251 CO -0.09 0.50 -0.05 -0.08 0.09 0.00 0.00 178.44 178.81 1nwl h GLU 252 N 0.43 1.01 -0.41 1.13 4.57 -0.98 -2.96 114.58 117.38 1nwl h GLU 252 Ca 0.10 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 57.83 1nwl h GLU 252 Cb 0.31 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1nwl h GLU 252 CO 0.01 1.03 -0.15 0.52 -1.18 0.00 0.00 179.01 179.24 1nwl h MET 253 N 0.89 0.76 0.00 1.92 2.86 -0.41 -3.00 114.93 117.95 1nwl h MET 253 Ca 0.15 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1nwl h MET 253 Cb 0.60 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1nwl h MET 253 CO 0.04 0.87 0.00 0.54 1.06 0.00 0.00 176.91 179.42 1nwl n ARG 254 N -4.15 0.13 0.27 1.72 1.74 0.67 -1.45 116.66 115.59 1nwl n ARG 254 Ca 0.01 0.51 0.17 0.00 -0.77 0.00 0.00 57.85 57.77 1nwl n ARG 254 Cb 0.39 -1.84 0.66 0.00 -1.02 0.00 0.00 32.46 30.65 1nwl n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1nwl h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.45 -3.31 116.57 118.94 1nwl h LYS 255 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1nwl h LYS 255 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1nwl h LYS 255 CO 0.00 0.00 -1.89 1.19 -0.57 0.00 0.00 179.45 178.18 1nwl n PHE 256 N -3.04 0.00 -3.72 -1.35 3.72 -0.53 -4.96 117.46 107.59 1nwl n PHE 256 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1nwl n PHE 256 Cb 0.31 -0.61 -0.10 0.00 -0.94 0.00 0.00 39.48 38.14 1nwl n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1nwl s ARG 257 N -2.50 0.53 0.54 -1.08 3.52 -1.18 -4.50 118.95 114.28 1nwl s ARG 257 Ca -0.07 0.64 -0.18 0.00 -0.13 0.00 0.00 55.73 55.99 1nwl s ARG 257 Cb 0.05 0.25 -0.06 0.00 -1.56 0.00 0.00 34.95 33.63 1nwl s ARG 257 CO 0.58 -0.07 1.06 -1.64 -0.81 0.00 0.00 175.30 174.43 1nwl s MET 258 N 0.28 3.52 -0.68 5.12 -1.94 -1.26 -4.31 119.30 120.05 1nwl s MET 258 Ca -0.00 1.35 0.00 0.00 -1.71 0.00 0.00 55.69 55.32 1nwl s MET 258 Cb -0.03 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.75 1nwl s MET 258 CO 0.00 -0.66 0.00 0.41 -0.01 0.00 0.00 175.02 174.76 1nwl n GLY 259 N -0.45 0.80 3.69 -0.03 0.00 -1.26 -4.88 105.19 103.06 1nwl n GLY 259 Ca 0.09 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1nwl n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nwl s LEU 260 N -1.45 4.40 -0.01 0.99 1.43 -1.26 -3.90 118.68 118.89 1nwl s LEU 260 Ca 0.00 2.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.83 1nwl s LEU 260 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1nwl s LEU 260 CO 0.00 -1.00 0.02 -0.38 0.23 0.00 0.00 176.35 175.22 1nwl n ILE 261 N 4.77 -6.82 -0.03 -0.59 2.08 -0.73 -4.98 119.36 113.06 1nwl n ILE 261 Ca 0.18 1.28 0.02 0.00 0.56 0.00 0.00 62.75 64.79 1nwl n ILE 261 Cb 0.38 -4.38 -0.14 0.00 -0.75 0.00 0.00 39.64 34.75 1nwl n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nwl n GLN 262 N 0.75 0.66 -4.26 0.38 1.13 -1.25 -4.95 117.38 109.83 1nwl n GLN 262 Ca -0.04 -0.04 -0.15 0.00 -1.94 0.00 0.00 57.00 54.84 1nwl n GLN 262 Cb 0.05 -1.59 -0.10 0.00 0.11 0.00 0.00 30.24 28.71 1nwl n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1nwl s THR 263 N -3.06 0.96 0.42 5.09 -4.23 -1.26 -5.03 115.64 108.53 1nwl s THR 263 Ca -0.07 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.51 1nwl s THR 263 Cb 0.10 -2.05 0.23 0.00 1.34 0.00 0.00 72.50 72.11 1nwl s THR 263 CO 0.86 -0.56 2.02 0.00 -0.54 0.00 0.00 174.62 176.40 1nwl h ALA 264 N 2.68 1.68 -0.02 3.99 0.00 -1.94 -2.24 119.26 123.42 1nwl h ALA 264 Ca -0.37 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1nwl h ALA 264 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1nwl h ALA 264 CO 0.64 0.25 -0.52 0.22 0.00 0.00 0.00 179.25 179.84 1nwl h ASP 265 N 0.34 0.05 -0.02 0.00 1.82 -1.96 -1.45 116.42 115.20 1nwl h ASP 265 Ca 0.08 -0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.53 1nwl h ASP 265 Cb 0.11 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1nwl h ASP 265 CO -0.01 0.56 -0.58 1.56 -1.61 0.00 0.00 179.24 179.17 1nwl h GLN 266 N 0.04 0.61 -0.17 0.28 4.20 -1.83 -1.65 115.11 116.59 1nwl h GLN 266 Ca -0.00 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.29 1nwl h GLN 266 Cb 0.93 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1nwl h GLN 266 CO 0.07 1.01 0.04 1.25 -0.67 0.00 0.00 178.83 180.54 1nwl h LEU 267 N 0.46 0.26 -0.58 1.46 5.85 -1.26 -0.75 115.31 120.75 1nwl h LEU 267 Ca 0.00 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1nwl h LEU 267 Cb 1.14 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1nwl h LEU 267 CO 0.11 0.41 0.30 -0.09 -0.34 0.00 0.00 178.44 178.84 1nwl h ARG 268 N 0.09 0.56 -0.81 1.25 2.43 -1.26 -1.31 114.38 115.33 1nwl h ARG 268 Ca 0.05 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1nwl h ARG 268 Cb 0.26 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1nwl h ARG 268 CO 0.00 0.37 0.52 0.35 -1.51 0.00 0.00 179.97 179.70 1nwl h PHE 269 N 0.57 0.98 -0.27 2.20 3.57 -1.18 -1.55 116.94 121.27 1nwl h PHE 269 Ca 0.26 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1nwl h PHE 269 Cb 0.17 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1nwl h PHE 269 CO -0.10 0.57 0.12 0.77 -2.23 0.00 0.00 178.31 177.45 1nwl h SER 270 N 1.03 0.17 0.02 0.41 0.02 -0.24 0.27 113.55 115.23 1nwl h SER 270 Ca 0.32 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1nwl h SER 270 Cb -0.02 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1nwl h SER 270 CO -0.10 0.14 -0.38 1.88 -1.14 0.00 0.00 176.83 177.22 1nwl h TYR 271 N 0.26 -1.06 -0.81 3.45 -1.99 -1.01 -0.35 116.97 115.46 1nwl h TYR 271 Ca 0.11 0.03 0.10 0.00 2.00 0.00 0.00 58.73 60.97 1nwl h TYR 271 Cb 0.05 0.46 -0.07 0.00 2.00 0.00 0.00 36.73 39.16 1nwl h TYR 271 CO -0.10 -0.47 0.45 -0.07 -0.00 0.00 0.00 178.16 177.97 1nwl h LEU 272 N -0.55 0.63 -0.35 3.88 3.38 -0.94 0.18 115.31 121.55 1nwl h LEU 272 Ca 0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nwl h LEU 272 Cb 0.62 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1nwl h LEU 272 CO -0.28 0.35 0.21 0.00 0.09 0.00 0.00 178.44 178.81 1nwl h ALA 273 N 1.46 0.44 -0.18 1.53 0.00 -0.02 0.08 119.26 122.57 1nwl h ALA 273 Ca 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1nwl h ALA 273 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nwl h ALA 273 CO -0.26 -0.07 -0.04 0.28 0.00 0.00 0.00 179.25 179.16 1nwl h VAL 274 N 0.45 1.28 -0.04 0.00 2.07 -0.27 0.34 116.25 120.08 1nwl h VAL 274 Ca 0.12 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1nwl h VAL 274 Cb -0.00 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1nwl h VAL 274 CO -0.02 0.30 -0.09 0.40 0.02 0.00 0.00 177.57 178.17 1nwl h ILE 275 N 0.06 0.75 -0.16 4.57 2.04 -0.59 0.40 117.51 124.58 1nwl h ILE 275 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 1nwl h ILE 275 Cb 0.47 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1nwl h ILE 275 CO 0.02 0.00 -0.45 -0.33 0.00 0.00 0.00 178.15 177.39 1nwl h GLU 276 N -0.14 0.40 -0.28 2.37 4.39 -1.01 -2.54 114.58 117.77 1nwl h GLU 276 Ca 0.05 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1nwl h GLU 276 Cb 0.21 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nwl h GLU 276 CO -0.13 0.77 -0.29 0.78 -1.16 0.00 0.00 179.01 178.99 1nwl h GLY 277 N 1.17 0.61 1.05 -3.84 0.00 -0.68 -2.81 103.07 98.57 1nwl h GLY 277 Ca 0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1nwl h GLY 277 CO 0.08 0.49 -0.20 0.00 0.00 0.00 0.00 176.54 176.91 1nwl h ALA 278 N 1.20 0.59 0.00 3.60 0.00 -0.82 -2.95 119.26 120.88 1nwl h ALA 278 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nwl h ALA 278 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nwl h ALA 278 CO 0.06 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.73 1nwl h LYS 279 N 0.70 0.00 0.00 0.00 1.57 -1.29 0.24 116.57 117.78 1nwl h LYS 279 Ca 0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 1nwl h LYS 279 Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1nwl h LYS 279 CO 0.06 0.00 -1.00 0.35 -0.57 0.00 0.00 179.45 178.29 1nwl h PHE 280 N 0.00 0.00 0.00 -1.35 3.57 -1.32 -2.75 116.94 115.09 1nwl h PHE 280 Ca 0.00 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.22 1nwl h PHE 280 Cb 0.17 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1nwl h PHE 280 CO 0.00 0.94 -2.10 -0.89 -2.23 0.00 0.00 178.31 174.02 1nwl n ILE 281 N -3.31 1.21 -0.72 1.41 5.41 -0.50 -4.34 119.36 118.52 1nwl n ILE 281 Ca -0.01 -0.78 0.08 0.00 1.00 0.00 0.00 62.75 63.04 1nwl n ILE 281 Cb 0.92 -0.53 0.30 0.00 -0.71 0.00 0.00 39.64 39.63 1nwl n ILE 281 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 176.55 177.70 1nwl n MET 282 N -2.75 3.55 -0.72 0.38 0.00 0.71 -5.13 117.12 113.17 1nwl n MET 282 Ca -0.24 -2.79 0.00 0.00 0.00 0.00 0.00 57.70 54.67 1nwl n MET 282 Cb 1.02 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 32.40 1nwl n MET 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38