#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nny n MET 3 N 0.00 2.06 0.31 3.49 0.00 -1.24 -4.63 117.12 117.12 1nny n MET 3 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 1nny n MET 3 Cb 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 33.22 32.34 1nny n MET 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1nny h GLU 4 N 0.00 -1.00 -0.08 3.17 4.57 -1.97 -1.13 114.58 118.13 1nny h GLU 4 Ca 0.00 0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1nny h GLU 4 Cb 0.56 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1nny h GLU 4 CO 0.00 -0.67 -0.42 -0.22 -1.18 0.00 0.00 179.01 176.52 1nny h LYS 5 N -1.04 0.19 -0.90 1.92 1.63 -2.00 -2.70 116.57 113.66 1nny h LYS 5 Ca -0.07 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.72 1nny h LYS 5 Cb 0.90 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.46 1nny h LYS 5 CO -0.05 0.58 0.56 1.49 -3.45 0.00 0.00 179.45 178.59 1nny h GLU 6 N 0.16 0.97 -0.95 1.90 4.81 -1.75 0.22 114.58 119.93 1nny h GLU 6 Ca 0.01 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1nny h GLU 6 Cb 0.81 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1nny h GLU 6 CO 0.06 0.64 0.63 0.35 -0.73 0.00 0.00 179.01 179.96 1nny h PHE 7 N 0.99 1.18 0.41 0.92 3.57 -0.88 -0.79 116.94 122.34 1nny h PHE 7 Ca 0.41 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 1nny h PHE 7 Cb 0.24 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1nny h PHE 7 CO -0.03 0.72 -0.26 1.49 -2.23 0.00 0.00 178.31 178.01 1nny h GLU 8 N 1.26 -0.60 -0.07 1.11 4.57 -0.55 -0.44 114.58 119.86 1nny h GLU 8 Ca 0.36 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.59 1nny h GLU 8 Cb -0.09 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1nny h GLU 8 CO -0.09 -0.40 -0.14 1.96 -1.18 0.00 0.00 179.01 179.15 1nny h GLN 9 N -0.63 -0.12 -0.62 1.92 4.20 -0.75 0.18 115.11 119.30 1nny h GLN 9 Ca -0.05 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.78 1nny h GLN 9 Cb 0.50 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.19 1nny h GLN 9 CO 0.05 -0.08 -0.24 0.82 -0.67 0.00 0.00 178.83 178.71 1nny h ILE 10 N -0.13 0.27 0.60 2.54 2.04 -1.23 -2.85 117.51 118.74 1nny h ILE 10 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1nny h ILE 10 Cb 0.16 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1nny h ILE 10 CO -0.13 0.00 -0.40 -0.78 0.00 0.00 0.00 178.15 176.84 1nny h ASP 11 N -0.08 -1.02 0.00 1.72 1.82 -0.67 -1.84 116.42 116.34 1nny h ASP 11 Ca 0.28 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1nny h ASP 11 Cb 0.51 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.83 1nny h ASP 11 CO -0.67 -0.59 0.00 2.29 -1.61 0.00 0.00 179.24 178.66 1nny n LYS 12 N -4.89 0.69 0.00 0.28 2.85 0.02 -1.99 118.16 115.11 1nny n LYS 12 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1nny n LYS 12 Cb 0.40 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 1nny n LYS 12 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1nny n SER 13 N 1.10 0.00 -2.97 -5.58 7.64 -0.98 -4.98 113.62 107.84 1nny n SER 13 Ca 0.00 -0.75 -0.21 0.00 1.01 0.00 0.00 58.87 58.91 1nny n SER 13 Cb 0.34 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1nny n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nny n GLY 14 N 0.00 -0.51 0.06 0.23 0.00 -0.84 -4.85 105.19 99.28 1nny n GLY 14 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1nny n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nny n SER 15 N -2.33 0.59 -0.01 1.61 7.64 -0.73 -4.37 113.62 116.02 1nny n SER 15 Ca -0.11 0.33 -0.12 0.00 1.01 0.00 0.00 58.87 59.98 1nny n SER 15 Cb 0.61 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 63.41 1nny n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1nny h TRP 16 N 0.00 -1.20 -0.84 1.43 4.06 -1.89 -1.38 115.95 116.13 1nny h TRP 16 Ca 0.00 0.05 0.15 0.00 2.06 0.00 0.00 58.89 61.15 1nny h TRP 16 Cb 0.67 0.55 -0.09 0.00 -1.00 0.00 0.00 29.16 29.28 1nny h TRP 16 CO 0.00 -0.47 0.43 0.00 -3.56 0.00 0.00 178.44 174.84 1nny h ALA 17 N 0.16 1.26 -0.23 1.49 0.00 -1.92 -0.91 119.26 119.11 1nny h ALA 17 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1nny h ALA 17 Cb 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1nny h ALA 17 CO -0.41 -0.10 0.08 0.00 0.00 0.00 0.00 179.25 178.81 1nny h ALA 18 N 1.56 0.30 0.40 0.00 0.00 -1.64 -2.54 119.26 117.33 1nny h ALA 18 Ca 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1nny h ALA 18 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nny h ALA 18 CO -0.37 -0.09 -0.19 0.82 0.00 0.00 0.00 179.25 179.42 1nny h ILE 19 N 0.20 0.61 -0.74 0.00 2.04 -0.55 -1.75 117.51 117.32 1nny h ILE 19 Ca 0.07 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 66.06 1nny h ILE 19 Cb 0.21 0.63 -0.13 0.00 -0.74 0.00 0.00 36.82 36.79 1nny h ILE 19 CO -0.00 0.01 -0.05 0.22 0.00 0.00 0.00 178.15 178.32 1nny h TYR 20 N -0.55 -0.16 -0.66 1.37 3.20 -1.18 0.70 116.97 119.68 1nny h TYR 20 Ca -0.05 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1nny h TYR 20 Cb 0.42 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1nny h TYR 20 CO -0.04 -0.26 0.39 1.96 -1.64 0.00 0.00 178.16 178.56 1nny h GLN 21 N 0.07 0.90 -0.80 1.82 1.08 -1.19 0.11 115.11 117.10 1nny h GLN 21 Ca 0.39 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1nny h GLN 21 Cb 0.67 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1nny h GLN 21 CO -0.69 0.64 0.42 -0.44 -0.95 0.00 0.00 178.83 177.81 1nny h ASP 22 N 0.92 1.02 -0.07 1.46 3.32 0.12 0.12 116.42 123.31 1nny h ASP 22 Ca 0.24 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1nny h ASP 22 Cb -0.03 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1nny h ASP 22 CO -0.04 0.84 0.03 0.40 -1.72 0.00 0.00 179.24 178.75 1nny h ILE 23 N 1.12 1.11 -0.49 0.35 2.04 0.42 0.43 117.51 122.50 1nny h ILE 23 Ca 0.28 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1nny h ILE 23 Cb 0.07 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1nny h ILE 23 CO -0.04 0.09 0.12 0.03 0.00 0.00 0.00 178.15 178.36 1nny h ARG 24 N -0.01 0.26 -0.73 2.37 3.08 -0.37 0.27 114.38 119.25 1nny h ARG 24 Ca 0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1nny h ARG 24 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1nny h ARG 24 CO -0.00 0.17 0.31 1.25 -1.07 0.00 0.00 179.97 180.63 1nny h HIS 25 N 0.27 1.09 0.00 3.04 2.76 -0.43 -3.12 115.15 118.76 1nny h HIS 25 Ca 0.24 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 58.18 1nny h HIS 25 Cb 0.30 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1nny h HIS 25 CO -0.20 0.82 -0.93 0.93 -1.30 0.00 0.00 177.93 177.25 1nny h GLU 26 N 1.06 0.00 -6.16 5.26 5.08 -0.13 -3.48 114.58 116.20 1nny h GLU 26 Ca 0.25 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.98 1nny h GLU 26 Cb 0.18 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.57 1nny h GLU 26 CO -0.02 0.63 -0.54 0.00 -1.00 0.00 0.00 179.01 178.08 1nny n ALA 27 N -2.32 -2.16 -1.54 3.43 0.00 0.89 -4.91 120.51 113.89 1nny n ALA 27 Ca -0.02 0.25 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 1nny n ALA 27 Cb 0.85 -1.67 0.06 0.00 0.00 0.00 0.00 19.45 18.69 1nny n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nny s SER 28 N -0.94 4.77 -0.21 0.00 0.01 -1.26 -5.04 113.70 111.04 1nny s SER 28 Ca 0.62 2.30 -0.01 0.00 1.31 0.00 0.00 55.95 60.16 1nny s SER 28 Cb -0.71 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 62.99 1nny s SER 28 CO 0.59 -1.87 -0.01 -0.62 0.41 0.00 0.00 173.24 171.75 1nny s ASP 29 N -1.97 3.25 0.27 2.44 3.68 -1.26 -4.94 116.67 118.14 1nny s ASP 29 Ca 0.74 -0.94 0.07 0.00 2.13 0.00 0.00 52.55 54.56 1nny s ASP 29 Cb -0.28 -0.84 -0.06 0.00 -1.45 0.00 0.00 42.92 40.30 1nny s ASP 29 CO 0.40 -0.27 -0.09 -0.36 0.13 0.00 0.00 175.17 174.98 1nny s PHE 30 N 1.66 1.96 0.03 -5.34 0.08 -1.26 -5.13 117.98 109.99 1nny s PHE 30 Ca -0.03 -0.63 -0.30 0.00 0.12 0.00 0.00 56.93 56.09 1nny s PHE 30 Cb -0.18 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.16 1nny s PHE 30 CO -0.07 0.35 1.24 -1.25 -0.10 0.00 0.00 175.22 175.39 1nny s PRO 31 N -3.68 4.39 -0.58 0.24 0.04 -1.26 -4.89 135.00 129.25 1nny s PRO 31 Ca 0.28 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.15 1nny s PRO 31 Cb 0.02 -3.41 0.39 0.00 0.04 0.00 0.00 34.50 31.54 1nny s PRO 31 CO 0.11 -0.35 1.40 0.00 0.04 0.00 0.00 177.00 178.20 1nny h ARG 33 N 2.76 -0.44 -0.95 0.00 2.43 -1.93 -2.41 114.38 113.84 1nny h ARG 33 Ca 0.38 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.66 1nny h ARG 33 Cb 0.61 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 1nny h ARG 33 CO 1.04 -0.29 0.61 0.28 -1.51 0.00 0.00 179.97 180.10 1nny h VAL 34 N -0.46 1.04 -0.41 0.20 2.07 -1.92 -2.17 116.25 114.60 1nny h VAL 34 Ca 0.07 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1nny h VAL 34 Cb 0.56 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1nny h VAL 34 CO -0.29 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.52 1nny h ALA 35 N 1.50 1.28 -0.09 1.67 0.00 -1.73 -2.99 119.26 118.90 1nny h ALA 35 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nny h ALA 35 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nny h ALA 35 CO -0.18 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.20 1nny n LYS 36 N -4.26 1.59 -1.89 0.00 5.02 -0.83 -4.69 118.16 113.09 1nny n LYS 36 Ca 0.02 -0.87 -0.41 0.00 -2.02 0.00 0.00 58.31 55.03 1nny n LYS 36 Cb 0.25 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1nny n LYS 36 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nny s LEU 37 N -1.73 4.35 0.28 -0.35 1.43 -1.12 -4.90 118.68 116.63 1nny s LEU 37 Ca 0.35 2.95 0.01 0.00 -1.03 0.00 0.00 54.13 56.40 1nny s LEU 37 Cb 0.18 -3.66 0.55 0.00 0.03 0.00 0.00 46.19 43.29 1nny s LEU 37 CO 0.29 -0.78 1.81 -0.65 0.23 0.00 0.00 176.35 177.25 1nny h PRO 38 N 3.14 0.85 0.00 1.29 0.11 -1.91 -1.63 132.00 133.85 1nny h PRO 38 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1nny h PRO 38 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nny h PRO 38 CO 0.65 0.56 0.00 0.36 -0.21 0.00 0.00 178.00 179.36 1nny n LYS 39 N -4.70 0.15 -0.12 1.05 2.85 -1.26 -1.59 118.16 114.53 1nny n LYS 39 Ca 0.18 0.54 0.09 0.00 -1.05 0.00 0.00 58.31 58.07 1nny n LYS 39 Cb 0.38 -1.89 0.15 0.00 -0.65 0.00 0.00 35.03 33.02 1nny n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1nny n ASN 40 N -2.19 2.96 -0.34 -5.58 3.02 -0.62 -4.57 115.26 107.95 1nny n ASN 40 Ca 0.00 -1.87 0.12 0.00 -0.03 0.00 0.00 54.58 52.81 1nny n ASN 40 Cb 0.11 -0.16 0.31 0.00 -0.61 0.00 0.00 39.78 39.43 1nny n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1nny h LYS 41 N 3.53 0.68 -0.58 3.52 3.64 -1.28 0.12 116.57 126.20 1nny h LYS 41 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1nny h LYS 41 Cb 0.82 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1nny h LYS 41 CO 0.00 0.45 0.00 0.27 -2.27 0.00 0.00 179.45 177.90 1nny n ASN 42 N -4.82 2.12 -0.27 4.20 2.04 -1.26 -3.16 115.26 114.11 1nny n ASN 42 Ca 0.22 -2.18 0.07 0.00 -0.44 0.00 0.00 54.58 52.25 1nny n ASN 42 Cb 0.57 -0.39 -0.01 0.00 -2.53 0.00 0.00 39.78 37.42 1nny n ASN 42 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1nny n ARG 43 N 0.25 1.94 -4.54 -3.83 1.74 0.42 -4.90 116.66 107.75 1nny n ARG 43 Ca 0.10 -0.64 -0.33 0.00 -0.77 0.00 0.00 57.85 56.20 1nny n ARG 43 Cb 0.42 -1.19 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 1nny n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nny s ASN 44 N -1.74 4.53 0.03 0.55 0.01 -1.19 -4.43 114.94 112.70 1nny s ASN 44 Ca 0.11 -0.18 -0.19 0.00 -0.71 0.00 0.00 52.86 51.88 1nny s ASN 44 Cb 0.11 -1.68 -0.19 0.00 0.41 0.00 0.00 41.25 39.90 1nny s ASN 44 CO 0.36 0.18 1.20 -0.09 -1.51 0.00 0.00 177.10 177.25 1nny h ARG 45 N 6.58 0.45 -5.01 -0.60 2.43 -1.89 -3.44 114.38 112.90 1nny h ARG 45 Ca -0.31 -0.38 -0.58 0.00 -0.81 0.00 0.00 59.98 57.90 1nny h ARG 45 Cb 1.20 0.08 -0.33 0.00 -0.42 0.00 0.00 29.97 30.50 1nny h ARG 45 CO 0.60 1.01 -0.84 0.71 -1.51 0.00 0.00 179.97 179.94 1nny s TYR 46 N -3.61 1.89 0.47 2.20 2.02 -1.26 -5.01 117.35 114.05 1nny s TYR 46 Ca -0.13 -0.69 0.29 0.00 -0.37 0.00 0.00 57.07 56.17 1nny s TYR 46 Cb 0.05 -1.30 1.61 0.00 -0.40 0.00 0.00 41.96 41.91 1nny s TYR 46 CO 0.81 -0.29 2.14 -0.09 -1.57 0.00 0.00 175.55 176.54 1nny h ARG 47 N 6.70 0.00 -0.64 -0.62 2.43 -1.97 -2.23 114.38 118.05 1nny h ARG 47 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1nny h ARG 47 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1nny h ARG 47 CO 0.47 0.08 0.00 -0.40 -1.51 0.00 0.00 179.97 178.61 1nny n ASP 48 N -3.65 4.20 -3.71 -3.80 5.75 -1.26 -4.73 116.55 109.36 1nny n ASP 48 Ca -0.02 -2.41 -0.30 0.00 -0.01 0.00 0.00 54.79 52.06 1nny n ASP 48 Cb 0.19 -0.54 -0.14 0.00 -1.03 0.00 0.00 41.12 39.60 1nny n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nny s VAL 49 N -1.85 1.05 0.18 2.12 1.01 -0.84 -5.07 120.40 117.00 1nny s VAL 49 Ca 0.44 -1.91 0.08 0.00 0.00 0.00 0.00 61.98 60.59 1nny s VAL 49 Cb 0.29 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1nny s VAL 49 CO 0.21 -0.79 -0.17 -0.44 0.00 0.00 0.00 175.10 173.91 1nny s SER 50 N 1.05 2.66 0.14 3.32 0.01 -1.26 -4.69 113.70 114.93 1nny s SER 50 Ca 0.14 -0.91 -0.25 0.00 1.31 0.00 0.00 55.95 56.23 1nny s SER 50 Cb -0.21 -0.15 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 1nny s SER 50 CO -0.12 -0.08 0.78 -2.16 0.41 0.00 0.00 173.24 172.07 1nny s PRO 51 N -3.07 4.56 0.49 12.44 0.04 -1.26 -4.56 135.00 143.63 1nny s PRO 51 Ca 0.18 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 1nny s PRO 51 Cb -0.04 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 1nny s PRO 51 CO 0.07 0.51 1.24 -0.06 0.04 0.00 0.00 177.00 178.80 1nny s PHE 52 N -0.92 2.66 0.25 0.56 0.08 -1.26 -4.53 117.98 114.82 1nny s PHE 52 Ca 0.37 1.47 -0.04 0.00 0.12 0.00 0.00 56.93 58.84 1nny s PHE 52 Cb -0.23 -3.55 0.29 0.00 -0.57 0.00 0.00 43.02 38.97 1nny s PHE 52 CO 0.26 -2.05 1.82 -0.44 -0.10 0.00 0.00 175.22 174.71 1nny h ASP 53 N 1.87 0.95 0.01 1.36 3.32 -1.25 -2.19 116.42 120.49 1nny h ASP 53 Ca -0.50 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 1nny h ASP 53 Cb 1.27 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1nny h ASP 53 CO 0.59 0.85 -0.06 1.12 -1.72 0.00 0.00 179.24 180.03 1nny h HIS 54 N 1.01 0.13 -0.10 4.55 2.07 -1.91 -3.06 115.15 117.83 1nny h HIS 54 Ca 0.23 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 1nny h HIS 54 Cb 0.21 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1nny h HIS 54 CO 0.02 0.20 0.00 -1.13 -3.07 0.00 0.00 177.93 173.95 1nny n SER 55 N -4.39 2.75 -4.80 3.10 3.41 -1.14 -5.04 113.62 107.51 1nny n SER 55 Ca -0.01 -2.75 -0.33 0.00 -0.26 0.00 0.00 58.87 55.51 1nny n SER 55 Cb 0.18 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1nny n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nny s ARG 56 N -2.32 3.42 -0.07 4.33 1.70 -0.84 -1.31 118.95 123.86 1nny s ARG 56 Ca 0.28 1.29 -0.20 0.00 -0.47 0.00 0.00 55.73 56.63 1nny s ARG 56 Cb 0.23 -2.04 -0.04 0.00 -0.57 0.00 0.00 34.95 32.52 1nny s ARG 56 CO 0.05 -0.74 0.55 0.42 -1.08 0.00 0.00 175.30 174.50 1nny s ILE 57 N -2.26 5.07 -0.13 4.99 -1.09 -0.52 -4.83 121.20 122.43 1nny s ILE 57 Ca 0.66 1.13 -0.06 0.00 -2.23 0.00 0.00 60.65 60.14 1nny s ILE 57 Cb -0.17 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1nny s ILE 57 CO 0.32 0.35 0.09 -0.54 -1.23 0.00 0.00 174.94 173.92 1nny s LYS 58 N 0.34 3.49 0.35 2.79 1.02 -1.26 -4.36 119.74 122.11 1nny s LYS 58 Ca 0.30 -0.25 -0.24 0.00 0.02 0.00 0.00 55.97 55.80 1nny s LYS 58 Cb -0.17 -3.11 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 1nny s LYS 58 CO 0.14 0.62 0.92 -0.51 -0.92 0.00 0.00 175.35 175.60 1nny s LEU 59 N -0.60 4.21 -0.02 3.17 1.43 0.02 -4.95 118.68 121.93 1nny s LEU 59 Ca 0.12 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1nny s LEU 59 Cb -0.12 -4.15 0.09 0.00 0.03 0.00 0.00 46.19 42.05 1nny s LEU 59 CO 0.02 -0.16 0.71 1.41 0.23 0.00 0.00 176.35 178.56 1nny n HIS 60 N 0.17 0.22 -3.42 0.29 8.25 -1.26 -4.62 115.22 114.85 1nny n HIS 60 Ca 0.03 -0.08 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1nny n HIS 60 Cb 0.51 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 1nny n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1nny s GLN 61 N -1.31 3.50 0.09 -0.41 -2.07 -1.26 -5.02 119.66 113.19 1nny s GLN 61 Ca 0.06 -0.31 0.23 0.00 -1.82 0.00 0.00 55.36 53.52 1nny s GLN 61 Cb 0.04 -2.68 -0.01 0.00 -1.09 0.00 0.00 33.01 29.27 1nny s GLN 61 CO 0.02 0.18 0.96 0.39 -1.32 0.00 0.00 175.29 175.52 1nny n GLU 62 N -1.59 0.44 0.00 9.60 1.02 -1.26 -4.36 120.64 124.49 1nny n GLU 62 Ca -0.05 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1nny n GLU 62 Cb 0.56 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1nny n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1nny n ASP 63 N -2.22 0.00 -3.65 1.62 2.03 -1.26 -4.79 116.55 108.27 1nny n ASP 63 Ca 0.00 0.71 -0.21 0.00 0.52 0.00 0.00 54.79 55.82 1nny n ASP 63 Cb 0.49 -0.22 -0.17 0.00 -0.72 0.00 0.00 41.12 40.50 1nny n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1nny s ASN 64 N -2.00 1.34 -0.05 1.67 3.84 -1.26 -5.03 114.94 113.45 1nny s ASN 64 Ca 0.00 -0.03 0.12 0.00 0.21 0.00 0.00 52.86 53.16 1nny s ASN 64 Cb 0.00 -0.11 0.44 0.00 -0.55 0.00 0.00 41.25 41.03 1nny s ASN 64 CO 0.00 -0.27 1.31 -0.90 -2.79 0.00 0.00 177.10 174.45 1nny n ASP 65 N 5.30 2.93 -4.81 -4.21 5.68 -1.26 -4.82 116.55 115.37 1nny n ASP 65 Ca -0.04 -2.19 -0.37 0.00 -0.50 0.00 0.00 54.79 51.69 1nny n ASP 65 Cb 0.50 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 40.01 1nny n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1nny s TYR 66 N -1.62 3.69 -0.16 2.11 5.04 -1.26 -0.80 117.35 124.35 1nny s TYR 66 Ca 0.31 1.45 -0.27 0.00 -2.44 0.00 0.00 57.07 56.13 1nny s TYR 66 Cb 0.19 -2.66 0.07 0.00 0.35 0.00 0.00 41.96 39.91 1nny s TYR 66 CO 0.17 0.36 0.68 -1.50 -1.34 0.00 0.00 175.55 173.92 1nny s ILE 67 N -1.46 0.00 -1.06 3.14 2.07 -1.26 -4.89 121.20 117.74 1nny s ILE 67 Ca 0.42 -0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.43 1nny s ILE 67 Cb -0.18 -0.97 0.06 0.00 0.13 0.00 0.00 42.46 41.50 1nny s ILE 67 CO 0.22 -0.01 1.46 0.21 -1.91 0.00 0.00 174.94 174.91 1nny s ASN 68 N -0.40 6.58 -0.24 4.50 3.84 -1.26 -4.67 114.94 123.27 1nny s ASN 68 Ca -0.05 -1.69 -0.20 0.00 0.21 0.00 0.00 52.86 51.13 1nny s ASN 68 Cb -0.03 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.19 1nny s ASN 68 CO 0.05 -1.40 0.64 0.00 -2.79 0.00 0.00 177.10 173.60 1nny s ALA 69 N 4.58 -1.61 0.07 1.71 0.00 -1.26 -2.94 121.76 122.31 1nny s ALA 69 Ca 0.46 1.93 0.09 0.00 0.00 0.00 0.00 51.96 54.44 1nny s ALA 69 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1nny s ALA 69 CO -0.07 -0.32 -0.25 -1.12 0.00 0.00 0.00 175.76 174.00 1nny s SER 70 N 0.72 3.34 -0.48 0.00 0.01 -0.05 -1.44 113.70 115.80 1nny s SER 70 Ca -0.03 -0.61 -0.16 0.00 1.31 0.00 0.00 55.95 56.47 1nny s SER 70 Cb -0.05 -0.33 0.07 0.00 0.21 0.00 0.00 66.02 65.92 1nny s SER 70 CO -0.05 0.23 0.42 -0.22 0.41 0.00 0.00 173.24 174.04 1nny s LEU 71 N -1.53 5.59 -0.36 2.44 2.96 -0.43 -1.23 118.68 126.12 1nny s LEU 71 Ca 0.13 -1.31 -0.24 0.00 -0.22 0.00 0.00 54.13 52.49 1nny s LEU 71 Cb -0.10 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.39 1nny s LEU 71 CO 0.04 -0.68 0.83 -0.63 -1.32 0.00 0.00 176.35 174.59 1nny s ILE 72 N 1.73 4.69 -0.38 6.68 1.09 0.70 -4.90 121.20 130.81 1nny s ILE 72 Ca 0.05 0.98 -0.05 0.00 -1.10 0.00 0.00 60.65 60.53 1nny s ILE 72 Cb -0.24 -4.24 0.08 0.00 -1.06 0.00 0.00 42.46 37.00 1nny s ILE 72 CO 0.07 -0.46 0.17 -0.75 -0.10 0.00 0.00 174.94 173.87 1nny s LYS 73 N 3.21 2.32 -0.49 2.79 2.20 -1.26 -1.03 119.74 127.48 1nny s LYS 73 Ca 0.33 -1.55 -0.19 0.00 -0.36 0.00 0.00 55.97 54.21 1nny s LYS 73 Cb -0.13 -3.54 0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1nny s LYS 73 CO 0.17 -0.91 0.59 -1.64 -0.36 0.00 0.00 175.35 173.21 1nny s MET 74 N 1.27 3.13 0.05 4.03 -1.94 -0.23 -4.96 119.30 120.66 1nny s MET 74 Ca 0.03 -0.83 -0.27 0.00 -1.71 0.00 0.00 55.69 52.91 1nny s MET 74 Cb -0.22 -4.06 -0.17 0.00 2.01 0.00 0.00 34.83 32.39 1nny s MET 74 CO -0.01 -1.14 1.49 1.49 -0.01 0.00 0.00 175.02 176.84 1nny h GLU 75 N 8.94 -0.47 -0.37 2.03 4.81 -1.97 -0.36 114.58 127.19 1nny h GLU 75 Ca -0.27 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1nny h GLU 75 Cb 1.10 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1nny h GLU 75 CO 0.93 -0.22 0.03 1.49 -0.73 0.00 0.00 179.01 180.50 1nny h GLU 76 N -0.63 0.63 0.00 1.92 4.81 -1.97 -2.68 114.58 116.65 1nny h GLU 76 Ca -0.05 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1nny h GLU 76 Cb 0.46 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1nny h GLU 76 CO 0.08 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 1nny n ALA 77 N -2.38 2.23 -3.57 2.92 0.00 -1.25 -4.93 120.51 113.53 1nny n ALA 77 Ca -0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1nny n ALA 77 Cb 0.25 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.31 1nny n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nny n GLN 78 N -1.73 -2.44 -3.77 0.00 6.02 -0.21 -4.94 117.38 110.32 1nny n GLN 78 Ca 0.06 0.61 -0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1nny n GLN 78 Cb 0.34 -4.85 -0.13 0.00 1.02 0.00 0.00 30.24 26.63 1nny n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1nny s ARG 79 N -5.56 0.22 0.08 -1.09 3.52 -0.84 -4.97 118.95 110.30 1nny s ARG 79 Ca 0.35 0.39 0.08 0.00 -0.13 0.00 0.00 55.73 56.42 1nny s ARG 79 Cb -0.10 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 1nny s ARG 79 CO 0.82 -0.09 -0.20 -1.12 -0.81 0.00 0.00 175.30 173.90 1nny s SER 80 N 0.61 3.73 -0.00 -2.12 0.01 -1.26 -1.06 113.70 113.61 1nny s SER 80 Ca -0.04 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1nny s SER 80 Cb -0.05 -0.52 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 1nny s SER 80 CO -0.03 0.22 0.04 -0.31 0.41 0.00 0.00 173.24 173.56 1nny s TYR 81 N -1.01 0.05 -0.30 2.43 1.51 -0.19 -4.07 117.35 115.77 1nny s TYR 81 Ca 0.15 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.06 1nny s TYR 81 Cb -0.10 -0.05 0.03 0.00 -0.11 0.00 0.00 41.96 41.72 1nny s TYR 81 CO 0.07 -0.11 0.06 0.42 -1.11 0.00 0.00 175.55 174.88 1nny s ILE 82 N -0.60 3.65 -0.17 2.71 1.01 0.81 -0.21 121.20 128.40 1nny s ILE 82 Ca -0.07 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 1nny s ILE 82 Cb -0.04 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1nny s ILE 82 CO -0.00 -0.01 0.25 -0.76 0.00 0.00 0.00 174.94 174.41 1nny s LEU 83 N 1.42 4.25 0.15 2.97 1.02 -0.36 0.21 118.68 128.33 1nny s LEU 83 Ca -0.00 0.44 -0.01 0.00 0.02 0.00 0.00 54.13 54.58 1nny s LEU 83 Cb -0.18 -2.29 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1nny s LEU 83 CO 0.01 0.14 0.09 0.28 0.02 0.00 0.00 176.35 176.89 1nny s THR 84 N 0.34 0.07 0.55 5.49 -1.32 -0.34 -0.87 115.64 119.56 1nny s THR 84 Ca 0.14 -1.92 -0.11 0.00 -1.21 0.00 0.00 61.69 58.60 1nny s THR 84 Cb -0.12 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 1nny s THR 84 CO 0.03 -0.33 0.94 0.00 -2.21 0.00 0.00 174.62 173.05 1nny s GLN 85 N -4.08 3.68 0.22 7.08 -2.07 -1.15 -3.59 119.66 119.75 1nny s GLN 85 Ca 0.28 0.65 -0.31 0.00 -1.82 0.00 0.00 55.36 54.16 1nny s GLN 85 Cb 0.07 -2.19 -0.11 0.00 -1.09 0.00 0.00 33.01 29.69 1nny s GLN 85 CO 0.05 -0.38 1.65 0.20 -1.32 0.00 0.00 175.29 175.49 1nny s GLY 86 N -3.82 1.50 0.64 2.60 0.00 -0.19 -4.89 107.32 103.17 1nny s GLY 86 Ca 0.54 1.53 -0.17 0.00 0.00 0.00 0.00 44.72 46.61 1nny s GLY 86 CO 0.45 2.74 0.80 -1.05 0.00 0.00 0.00 173.10 176.03 1nny n PRO 87 N 3.56 0.64 -3.67 2.90 -0.02 -1.26 -4.72 135.00 132.44 1nny n PRO 87 Ca 0.14 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 1nny n PRO 87 Cb 0.36 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1nny n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nny s LEU 88 N -1.33 4.13 0.47 2.45 1.43 -1.26 -1.05 118.68 123.51 1nny s LEU 88 Ca 0.73 0.09 0.25 0.00 -1.03 0.00 0.00 54.13 54.17 1nny s LEU 88 Cb -0.40 -2.94 1.29 0.00 0.03 0.00 0.00 46.19 44.17 1nny s LEU 88 CO 0.50 -0.25 1.84 -0.65 0.23 0.00 0.00 176.35 178.02 1nny h PRO 89 N 0.97 0.21 -0.49 1.29 0.11 -1.96 0.12 132.00 132.24 1nny h PRO 89 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nny h PRO 89 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nny h PRO 89 CO 0.59 0.14 0.00 0.27 -0.21 0.00 0.00 178.00 178.78 1nny n ASN 90 N -4.41 3.51 -0.02 -2.05 6.94 -1.26 -4.32 115.26 113.64 1nny n ASN 90 Ca 0.22 -1.99 0.03 0.00 -0.02 0.00 0.00 54.58 52.82 1nny n ASN 90 Cb 0.91 -0.32 0.04 0.00 -2.36 0.00 0.00 39.78 38.05 1nny n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1nny n THR 91 N 1.48 1.25 -0.17 5.53 -2.24 0.41 -4.69 114.28 115.85 1nny n THR 91 Ca 0.21 -1.36 -0.11 0.00 -2.27 0.00 0.00 64.05 60.52 1nny n THR 91 Cb 0.59 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1nny n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nny h GLY 93 N 0.82 0.94 1.02 0.00 0.00 -1.90 -1.84 103.07 102.11 1nny h GLY 93 Ca 0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1nny h GLY 93 CO 0.05 0.46 0.34 0.45 0.00 0.00 0.00 176.54 177.84 1nny h HIS 94 N 0.82 1.07 0.11 5.60 3.86 -1.80 -0.60 115.15 124.21 1nny h HIS 94 Ca 0.20 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1nny h HIS 94 Cb 0.16 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1nny h HIS 94 CO 0.00 0.80 -0.16 0.35 0.86 0.00 0.00 177.93 179.78 1nny h PHE 95 N 1.04 -0.42 0.00 2.45 3.04 -0.58 0.99 116.94 123.45 1nny h PHE 95 Ca 0.25 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 1nny h PHE 95 Cb 0.14 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1nny h PHE 95 CO 0.01 -0.24 -0.21 -1.49 -2.02 0.00 0.00 178.31 174.36 1nny h TRP 96 N -0.32 0.00 -0.35 0.41 4.06 -1.19 -1.59 115.95 116.96 1nny h TRP 96 Ca 0.02 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.82 1nny h TRP 96 Cb 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1nny h TRP 96 CO -0.16 0.21 -0.38 1.49 -3.56 0.00 0.00 178.44 176.04 1nny h GLU 97 N 0.00 0.88 0.33 0.49 4.81 -0.49 -1.93 114.58 118.67 1nny h GLU 97 Ca -0.00 -0.47 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1nny h GLU 97 Cb 0.67 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1nny h GLU 97 CO 0.03 1.12 -0.16 1.98 -0.73 0.00 0.00 179.01 181.25 1nny h MET 98 N 0.67 -0.43 -0.66 1.92 4.05 -0.18 -0.57 114.93 119.74 1nny h MET 98 Ca 0.05 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.63 1nny h MET 98 Cb 0.97 0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 31.77 1nny h MET 98 CO 0.09 -0.28 0.13 0.28 0.23 0.00 0.00 176.91 177.37 1nny h VAL 99 N -0.46 0.57 0.75 -5.77 2.07 -1.23 -0.06 116.25 112.13 1nny h VAL 99 Ca -0.05 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1nny h VAL 99 Cb 0.35 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1nny h VAL 99 CO 0.07 0.05 -0.36 -0.25 0.02 0.00 0.00 177.57 177.10 1nny h TRP 100 N 0.25 -0.94 -0.72 1.57 2.91 -1.09 -1.87 115.95 116.07 1nny h TRP 100 Ca 0.36 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.42 1nny h TRP 100 Cb 0.57 0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 1nny h TRP 100 CO -0.27 -0.57 0.47 0.93 -1.03 0.00 0.00 178.44 177.98 1nny h GLU 101 N -1.11 0.73 -0.10 2.65 5.08 -0.82 -0.47 114.58 120.54 1nny h GLU 101 Ca -0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1nny h GLU 101 Cb 0.79 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1nny h GLU 101 CO 0.17 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.70 1nny n GLN 102 N -4.48 1.47 -2.80 2.33 1.13 -0.06 -4.91 117.38 110.06 1nny n GLN 102 Ca 0.10 -0.70 -0.18 0.00 -1.94 0.00 0.00 57.00 54.28 1nny n GLN 102 Cb 0.22 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1nny n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nny n LYS 103 N -0.09 -2.99 -1.72 -1.09 5.02 -0.19 -3.96 118.16 113.14 1nny n LYS 103 Ca 0.16 0.67 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 1nny n LYS 103 Cb 0.24 -5.36 0.06 0.00 -0.02 0.00 0.00 35.03 29.95 1nny n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nny s SER 104 N -2.35 4.86 -0.12 4.39 0.01 -0.75 -0.47 113.70 119.28 1nny s SER 104 Ca 0.17 2.18 0.05 0.00 1.31 0.00 0.00 55.95 59.66 1nny s SER 104 Cb -0.08 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.47 1nny s SER 104 CO 0.21 -1.80 -0.04 -1.14 0.41 0.00 0.00 173.24 170.87 1nny n ARG 105 N -2.32 1.28 -4.27 12.44 3.00 -1.26 -4.80 116.66 120.72 1nny n ARG 105 Ca 0.12 0.04 -0.21 0.00 -0.00 0.00 0.00 57.85 57.79 1nny n ARG 105 Cb 0.51 -1.27 -0.12 0.00 0.00 0.00 0.00 32.46 31.59 1nny n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nny s GLY 106 N -4.81 1.20 -0.12 5.14 0.00 -1.26 -1.79 107.32 105.68 1nny s GLY 106 Ca -0.12 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1nny s GLY 106 CO 0.37 -1.33 -0.19 0.14 0.00 0.00 0.00 173.10 172.08 1nny s VAL 107 N -1.65 1.83 -0.24 1.40 1.01 -0.30 -2.10 120.40 120.36 1nny s VAL 107 Ca 0.09 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1nny s VAL 107 Cb -0.08 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1nny s VAL 107 CO 0.04 0.51 -0.00 -0.69 0.00 0.00 0.00 175.10 174.96 1nny s VAL 108 N 0.84 3.67 -0.19 2.92 1.01 0.18 -0.07 120.40 128.77 1nny s VAL 108 Ca -0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1nny s VAL 108 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1nny s VAL 108 CO -0.01 0.36 -0.09 -0.32 0.00 0.00 0.00 175.10 175.03 1nny s MET 109 N 1.51 3.32 -0.11 2.72 0.00 0.79 -1.09 119.30 126.45 1nny s MET 109 Ca 0.05 -0.67 0.15 0.00 0.00 0.00 0.00 55.69 55.22 1nny s MET 109 Cb -0.15 -2.83 0.51 0.00 0.00 0.00 0.00 34.83 32.36 1nny s MET 109 CO -0.01 -0.07 1.42 1.28 0.00 0.00 0.00 175.02 177.64 1nny n LEU 110 N 4.37 3.82 0.00 4.11 4.77 -0.77 -0.31 117.00 132.99 1nny n LEU 110 Ca -0.19 -2.56 -0.18 0.00 -0.03 0.00 0.00 56.01 53.04 1nny n LEU 110 Cb 0.51 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1nny n LEU 110 CO 0.29 0.72 -0.09 -0.46 -1.33 0.00 0.00 177.39 176.51 1nny n ASN 111 N 0.20 -0.53 -4.68 -1.43 6.94 -1.25 -4.75 115.26 109.76 1nny n ASN 111 Ca 0.19 -3.03 -0.28 0.00 -0.02 0.00 0.00 54.58 51.44 1nny n ASN 111 Cb 0.75 1.51 -0.08 0.00 -2.36 0.00 0.00 39.78 39.61 1nny n ASN 111 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1nny s ARG 112 N -3.27 2.48 0.36 -3.83 0.52 -1.26 -4.83 118.95 109.11 1nny s ARG 112 Ca 0.36 -0.98 0.09 0.00 -0.52 0.00 0.00 55.73 54.68 1nny s ARG 112 Cb 0.02 -2.45 0.81 0.00 0.52 0.00 0.00 34.95 33.85 1nny s ARG 112 CO 0.25 0.49 1.88 0.28 0.02 0.00 0.00 175.30 178.23 1nny h VAL 113 N 2.64 0.86 -3.34 3.52 2.07 -1.95 -3.39 116.25 116.67 1nny h VAL 113 Ca -0.47 -0.24 -0.55 0.00 0.82 0.00 0.00 66.70 66.25 1nny h VAL 113 Cb 1.19 0.11 -0.34 0.00 -1.52 0.00 0.00 31.29 30.72 1nny h VAL 113 CO 0.59 0.13 -0.83 -0.32 0.02 0.00 0.00 177.57 177.16 1nny s MET 114 N -5.67 1.98 -0.00 1.57 -2.45 -1.26 -1.01 119.30 112.46 1nny s MET 114 Ca -0.10 -0.49 0.00 0.00 -1.25 0.00 0.00 55.69 53.85 1nny s MET 114 Cb 0.22 -1.66 0.00 0.00 1.25 0.00 0.00 34.83 34.64 1nny s MET 114 CO 0.79 -0.01 0.00 -1.21 1.05 0.00 0.00 175.02 175.64 1nny s GLU 115 N 0.82 0.03 -1.47 4.11 2.02 -0.79 -4.87 118.70 118.54 1nny s GLU 115 Ca -0.11 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 1nny s GLU 115 Cb -0.15 -0.06 0.06 0.00 0.10 0.00 0.00 34.13 34.07 1nny s GLU 115 CO 0.02 -0.01 1.03 1.63 0.02 0.00 0.00 175.26 177.95 1nny n LYS 116 N 3.21 -6.26 -0.88 1.61 5.02 -1.26 -2.45 118.16 117.16 1nny n LYS 116 Ca -0.14 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1nny n LYS 116 Cb 0.59 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1nny n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nny n GLY 117 N -1.78 0.66 3.23 0.72 0.00 -1.26 -4.99 105.19 101.78 1nny n GLY 117 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1nny n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nny s SER 118 N -2.62 0.86 0.01 1.61 1.04 -1.03 -5.12 113.70 108.46 1nny s SER 118 Ca 0.00 -1.26 -0.30 0.00 0.48 0.00 0.00 55.95 54.87 1nny s SER 118 Cb 0.00 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 1nny s SER 118 CO 0.00 -0.68 1.02 -0.76 0.98 0.00 0.00 173.24 173.79 1nny s LEU 119 N -3.18 4.37 0.00 2.42 1.43 -1.26 -1.88 118.68 120.58 1nny s LEU 119 Ca 0.29 1.72 0.13 0.00 -1.03 0.00 0.00 54.13 55.24 1nny s LEU 119 Cb 0.07 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.59 1nny s LEU 119 CO 0.07 -0.29 0.57 0.29 0.23 0.00 0.00 176.35 177.22 1nny n LYS 120 N 3.90 2.62 -3.64 1.70 4.76 -0.18 -4.94 118.16 122.38 1nny n LYS 120 Ca 0.06 -0.07 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 1nny n LYS 120 Cb 0.50 -1.12 -0.07 0.00 -1.84 0.00 0.00 35.03 32.50 1nny n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nny s ALA 122 N 0.06 2.49 -1.04 0.00 0.00 -0.22 -4.67 121.76 118.39 1nny s ALA 122 Ca 0.05 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 1nny s ALA 122 Cb -0.05 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1nny s ALA 122 CO -0.09 -1.27 1.55 -1.14 0.00 0.00 0.00 175.76 174.80 1nny s GLN 123 N -4.25 3.50 0.00 0.00 2.00 -1.26 -4.77 119.66 114.88 1nny s GLN 123 Ca 0.65 -1.12 0.28 0.00 -2.00 0.00 0.00 55.36 53.17 1nny s GLN 123 Cb -0.19 -5.34 1.09 0.00 0.80 0.00 0.00 33.01 29.37 1nny s GLN 123 CO 0.43 -2.38 1.77 2.48 -0.50 0.00 0.00 175.29 177.09 1nny n TYR 124 N 9.51 0.00 -4.22 1.67 0.18 -1.26 -4.89 117.16 118.16 1nny n TYR 124 Ca 0.36 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.97 1nny n TYR 124 Cb 0.50 -0.11 -0.11 0.00 -0.38 0.00 0.00 39.34 39.24 1nny n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1nny s TRP 125 N -2.35 1.29 0.23 -3.48 -2.14 -1.26 -5.06 118.94 106.17 1nny s TRP 125 Ca 0.31 -0.57 -0.30 0.00 2.66 0.00 0.00 56.10 58.20 1nny s TRP 125 Cb 0.20 -0.69 -0.09 0.00 -3.10 0.00 0.00 33.47 29.79 1nny s TRP 125 CO 0.45 0.10 1.32 -1.25 -2.66 0.00 0.00 176.95 174.91 1nny s PRO 126 N -2.57 4.38 0.05 3.25 0.04 -1.26 -4.95 135.00 133.93 1nny s PRO 126 Ca 0.07 2.11 0.23 0.00 0.04 0.00 0.00 61.00 63.44 1nny s PRO 126 Cb -0.05 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.40 1nny s PRO 126 CO 0.02 -0.24 1.05 1.04 0.04 0.00 0.00 177.00 178.90 1nny n GLN 127 N 2.19 0.26 -4.60 4.56 6.02 -1.26 -4.67 117.38 119.87 1nny n GLN 127 Ca 0.05 -0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.81 1nny n GLN 127 Cb 0.42 -1.59 -0.16 0.00 1.02 0.00 0.00 30.24 29.94 1nny n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1nny s LYS 128 N -3.18 1.29 0.28 -1.09 1.02 -1.26 -5.05 119.74 111.75 1nny s LYS 128 Ca 0.04 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1nny s LYS 128 Cb 0.15 -1.17 0.55 0.00 -0.52 0.00 0.00 37.83 36.83 1nny s LYS 128 CO 0.80 0.20 1.83 0.93 -0.92 0.00 0.00 175.35 178.18 1nny h GLU 129 N 6.21 0.91 0.00 1.68 3.07 -1.91 -1.85 114.58 122.70 1nny h GLU 129 Ca -0.33 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1nny h GLU 129 Cb 1.17 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1nny h GLU 129 CO 0.48 0.60 0.00 -0.85 -1.40 0.00 0.00 179.01 177.85 1nny n GLU 130 N -4.65 0.02 -3.73 2.33 0.00 -1.26 -4.43 120.64 108.90 1nny n GLU 130 Ca 0.19 0.02 -0.34 0.00 0.00 0.00 0.00 57.16 57.02 1nny n GLU 130 Cb 0.36 -1.52 -0.09 0.00 0.00 0.00 0.00 31.44 30.19 1nny n GLU 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1nny s LYS 131 N -3.01 2.78 0.66 3.44 -0.14 -0.69 -5.09 119.74 117.70 1nny s LYS 131 Ca 0.13 -2.96 -0.10 0.00 -1.36 0.00 0.00 55.97 51.68 1nny s LYS 131 Cb 0.18 -3.74 0.01 0.00 -1.68 0.00 0.00 37.83 32.60 1nny s LYS 131 CO 0.52 -1.22 1.04 -1.83 -0.76 0.00 0.00 175.35 173.10 1nny s GLU 132 N -0.81 2.97 0.02 1.68 1.03 -1.26 -4.56 118.70 117.77 1nny s GLU 132 Ca 0.22 0.38 0.04 0.00 0.03 0.00 0.00 54.97 55.64 1nny s GLU 132 Cb -0.13 -2.09 -0.03 0.00 -0.80 0.00 0.00 34.13 31.07 1nny s GLU 132 CO -0.09 -0.89 -0.07 -1.64 -1.33 0.00 0.00 175.26 171.25 1nny s MET 133 N -5.24 2.51 -0.09 -4.83 -1.94 -0.50 -4.98 119.30 104.23 1nny s MET 133 Ca 0.57 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 1nny s MET 133 Cb -0.11 -2.49 0.02 0.00 2.01 0.00 0.00 34.83 34.26 1nny s MET 133 CO 0.50 0.59 -0.11 0.42 -0.01 0.00 0.00 175.02 176.42 1nny s ILE 134 N -1.03 1.15 -0.63 2.53 -1.09 -1.26 -1.13 121.20 119.75 1nny s ILE 134 Ca 0.18 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 58.06 1nny s ILE 134 Cb -0.11 -1.10 0.16 0.00 -1.58 0.00 0.00 42.46 39.83 1nny s ILE 134 CO 0.09 0.37 0.54 -0.36 -1.23 0.00 0.00 174.94 174.35 1nny s PHE 135 N 1.16 3.49 0.27 3.97 0.08 0.03 -4.94 117.98 122.04 1nny s PHE 135 Ca -0.05 -1.87 -0.04 0.00 0.12 0.00 0.00 56.93 55.10 1nny s PHE 135 Cb -0.14 -3.65 0.34 0.00 -0.57 0.00 0.00 43.02 39.01 1nny s PHE 135 CO -0.02 -0.98 1.94 0.93 -0.10 0.00 0.00 175.22 176.99 1nny h GLU 136 N 8.17 1.22 -0.10 0.44 5.08 -1.97 0.15 114.58 127.58 1nny h GLU 136 Ca -0.11 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1nny h GLU 136 Cb 1.05 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1nny h GLU 136 CO 0.86 0.81 -0.11 0.38 -1.00 0.00 0.00 179.01 179.94 1nny h ASP 137 N 1.26 0.13 -0.15 1.42 2.03 -1.97 -2.94 116.42 116.19 1nny h ASP 137 Ca 0.35 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1nny h ASP 137 Cb -0.12 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 1nny h ASP 137 CO -0.08 0.27 0.00 0.35 -1.03 0.00 0.00 179.24 178.75 1nny n THR 138 N -4.33 0.51 -3.57 1.15 -2.24 -1.06 -5.02 114.28 99.71 1nny n THR 138 Ca -0.01 -0.76 -0.27 0.00 -2.27 0.00 0.00 64.05 60.74 1nny n THR 138 Cb 0.23 0.84 0.05 0.00 -2.10 0.00 0.00 70.33 69.34 1nny n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nny n ASN 139 N 0.42 -5.70 -4.08 3.42 5.15 0.49 -4.93 115.26 110.02 1nny n ASN 139 Ca 0.07 -0.92 -0.18 0.00 -0.60 0.00 0.00 54.58 52.95 1nny n ASN 139 Cb 0.31 -3.79 -0.13 0.00 -0.53 0.00 0.00 39.78 35.64 1nny n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nny s LEU 140 N -6.13 2.14 -0.01 1.20 1.43 -0.93 -2.40 118.68 113.98 1nny s LEU 140 Ca 0.45 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 1nny s LEU 140 Cb -0.14 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 1nny s LEU 140 CO 0.83 0.00 -0.24 -0.75 0.23 0.00 0.00 176.35 176.42 1nny s LYS 141 N -0.95 1.90 -0.04 1.70 2.20 -0.51 -0.79 119.74 123.24 1nny s LYS 141 Ca -0.00 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1nny s LYS 141 Cb -0.07 -1.88 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 1nny s LYS 141 CO 0.01 0.51 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.27 1nny s LEU 142 N -0.68 1.51 -0.02 5.43 2.96 -0.28 -0.22 118.68 127.36 1nny s LEU 142 Ca 0.09 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1nny s LEU 142 Cb -0.09 -0.55 -0.00 0.00 0.50 0.00 0.00 46.19 46.05 1nny s LEU 142 CO -0.00 -0.01 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.01 1nny s THR 143 N 0.69 1.00 -0.53 3.68 2.01 -0.63 -1.41 115.64 120.45 1nny s THR 143 Ca -0.11 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.12 1nny s THR 143 Cb -0.14 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1nny s THR 143 CO 0.01 0.30 1.08 -0.22 -0.69 0.00 0.00 174.62 175.10 1nny s LEU 144 N -0.01 3.72 0.03 4.42 2.96 -1.26 -1.70 118.68 126.83 1nny s LEU 144 Ca -0.00 0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.82 1nny s LEU 144 Cb -0.08 -3.17 -0.35 0.00 0.50 0.00 0.00 46.19 43.09 1nny s LEU 144 CO 0.00 -1.31 1.00 0.40 -1.32 0.00 0.00 176.35 175.13 1nny h ILE 145 N 6.13 1.29 -1.01 6.68 1.08 -1.68 -3.36 117.51 126.64 1nny h ILE 145 Ca -0.25 -2.67 0.38 0.00 -0.39 0.00 0.00 64.86 61.94 1nny h ILE 145 Cb 1.06 3.03 -0.16 0.00 -3.07 0.00 0.00 36.82 37.68 1nny h ILE 145 CO 1.13 0.80 1.00 -0.94 -0.69 0.00 0.00 178.15 179.44 1nny s SER 146 N -7.55 -0.00 0.08 1.72 1.04 -1.15 -5.00 113.70 102.84 1nny s SER 146 Ca -0.09 -0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 1nny s SER 146 Cb 0.04 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1nny s SER 146 CO 0.94 -0.01 0.23 -1.83 0.98 0.00 0.00 173.24 173.55 1nny s GLU 147 N -2.01 0.85 -0.32 4.02 -1.05 -1.26 -0.09 118.70 118.84 1nny s GLU 147 Ca 0.14 -0.85 -0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1nny s GLU 147 Cb 0.06 0.35 0.10 0.00 -0.44 0.00 0.00 34.13 34.20 1nny s GLU 147 CO -0.06 -0.28 0.10 0.34 0.95 0.00 0.00 175.26 176.32 1nny s ASP 148 N -2.70 4.05 -0.15 0.83 3.68 0.11 -4.98 116.67 117.50 1nny s ASP 148 Ca 0.03 -1.72 -0.25 0.00 2.13 0.00 0.00 52.55 52.74 1nny s ASP 148 Cb 0.03 -0.91 -0.02 0.00 -1.45 0.00 0.00 42.92 40.57 1nny s ASP 148 CO -0.10 -0.41 0.80 -0.63 0.13 0.00 0.00 175.17 174.96 1nny s ILE 149 N 1.52 4.92 0.39 4.11 1.01 -1.26 -2.26 121.20 129.62 1nny s ILE 149 Ca 0.10 1.58 0.02 0.00 0.00 0.00 0.00 60.65 62.35 1nny s ILE 149 Cb -0.18 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1nny s ILE 149 CO -0.23 0.07 0.06 0.29 0.00 0.00 0.00 174.94 175.13 1nny n LYS 150 N 4.97 0.80 -0.04 2.79 5.02 -0.57 -5.02 118.16 126.12 1nny n LYS 150 Ca 0.03 -3.04 -0.03 0.00 -2.02 0.00 0.00 58.31 53.25 1nny n LYS 150 Cb 0.49 1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 36.68 1nny n LYS 150 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1nny h SER 151 N 1.20 -0.46 -0.14 4.39 0.02 -2.03 -3.29 113.55 113.24 1nny h SER 151 Ca -0.32 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1nny h SER 151 Cb 1.06 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1nny h SER 151 CO 0.51 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 176.11 1nny n TYR 152 N -3.37 0.16 -3.52 3.45 4.11 -1.26 -4.89 117.16 111.84 1nny n TYR 152 Ca -0.01 -0.11 -0.11 0.00 -0.00 0.00 0.00 57.90 57.67 1nny n TYR 152 Cb 0.08 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.40 1nny n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1nny s TYR 153 N -1.31 -0.46 -0.04 -3.48 -0.85 -1.24 -2.40 117.35 107.57 1nny s TYR 153 Ca 0.23 0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.99 1nny s TYR 153 Cb 0.15 0.59 0.01 0.00 0.38 0.00 0.00 41.96 43.10 1nny s TYR 153 CO 0.22 -0.93 -0.08 0.99 -1.52 0.00 0.00 175.55 174.22 1nny s THR 154 N -3.78 0.79 -0.14 -3.49 2.01 0.39 -1.51 115.64 109.92 1nny s THR 154 Ca 0.03 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1nny s THR 154 Cb -0.02 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1nny s THR 154 CO -0.08 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.37 1nny s VAL 155 N 0.52 3.80 0.08 3.82 1.01 -0.96 -1.04 120.40 127.63 1nny s VAL 155 Ca -0.09 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.58 1nny s VAL 155 Cb -0.12 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1nny s VAL 155 CO 0.01 0.52 -0.24 -0.13 0.00 0.00 0.00 175.10 175.26 1nny s ARG 156 N 0.15 1.42 -0.18 2.72 0.52 -0.45 0.05 118.95 123.18 1nny s ARG 156 Ca -0.02 -1.15 -0.05 0.00 -0.52 0.00 0.00 55.73 53.99 1nny s ARG 156 Cb -0.14 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 1nny s ARG 156 CO 0.03 0.42 0.01 -0.65 0.02 0.00 0.00 175.30 175.12 1nny s GLN 157 N -1.62 3.73 0.11 3.54 -0.21 0.87 -0.83 119.66 125.26 1nny s GLN 157 Ca 0.10 -0.47 0.07 0.00 0.02 0.00 0.00 55.36 55.08 1nny s GLN 157 Cb -0.10 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 1nny s GLN 157 CO 0.04 0.16 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.68 1nny s LEU 158 N 0.62 2.34 -0.27 2.90 1.43 0.73 -1.68 118.68 124.75 1nny s LEU 158 Ca -0.00 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1nny s LEU 158 Cb -0.14 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.38 1nny s LEU 158 CO 0.02 -0.02 -0.05 -0.70 0.23 0.00 0.00 176.35 175.83 1nny s GLU 159 N -2.20 2.50 -0.17 1.70 2.12 -0.69 0.13 118.70 122.09 1nny s GLU 159 Ca 0.07 -1.20 -0.12 0.00 0.36 0.00 0.00 54.97 54.08 1nny s GLU 159 Cb -0.08 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 1nny s GLU 159 CO 0.04 -0.54 0.24 -1.17 -0.54 0.00 0.00 175.26 173.29 1nny s LEU 160 N 1.23 4.24 -0.04 2.70 2.96 -0.18 -1.60 118.68 127.98 1nny s LEU 160 Ca -0.05 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1nny s LEU 160 Cb -0.19 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1nny s LEU 160 CO -0.03 0.13 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.28 1nny s GLU 161 N 0.39 1.64 -0.88 1.98 2.12 0.69 -0.88 118.70 123.75 1nny s GLU 161 Ca 0.14 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.72 1nny s GLU 161 Cb -0.12 -1.42 0.08 0.00 0.26 0.00 0.00 34.13 32.93 1nny s GLU 161 CO 0.02 0.19 1.20 1.21 -0.54 0.00 0.00 175.26 177.35 1nny s ASN 162 N 0.14 6.45 0.55 -1.70 3.84 0.48 -1.42 114.94 123.27 1nny s ASN 162 Ca -0.05 -1.48 0.32 0.00 0.21 0.00 0.00 52.86 51.85 1nny s ASN 162 Cb -0.11 -2.47 1.48 0.00 -0.55 0.00 0.00 41.25 39.59 1nny s ASN 162 CO 0.02 -1.35 1.86 -0.07 -2.79 0.00 0.00 177.10 174.77 1nny h LEU 163 N 11.58 0.00 0.21 3.21 3.38 -1.77 1.48 115.31 133.40 1nny h LEU 163 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1nny h LEU 163 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1nny h LEU 163 CO 1.24 0.00 -0.10 0.74 0.09 0.00 0.00 178.44 180.40 1nny h THR 164 N 0.00 0.87 -0.00 0.22 2.02 -1.90 -3.27 112.91 110.86 1nny h THR 164 Ca 0.41 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1nny h THR 164 Cb 1.73 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1nny h THR 164 CO -0.00 0.13 -0.73 0.35 0.37 0.00 0.00 175.52 175.63 1nny n THR 165 N -5.08 0.00 -1.30 3.16 -2.24 -0.69 -4.95 114.28 103.17 1nny n THR 165 Ca -0.09 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1nny n THR 165 Cb 0.23 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1nny n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nny n GLN 166 N -1.49 -1.01 -2.98 -0.78 6.02 0.50 -4.98 117.38 112.66 1nny n GLN 166 Ca 0.05 0.82 -0.40 0.00 -0.01 0.00 0.00 57.00 57.46 1nny n GLN 166 Cb 0.33 -4.87 -0.05 0.00 1.02 0.00 0.00 30.24 26.68 1nny n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nny s GLU 167 N -2.71 4.50 0.16 -1.09 2.12 -1.18 -4.84 118.70 115.65 1nny s GLU 167 Ca 0.00 1.07 0.07 0.00 0.36 0.00 0.00 54.97 56.48 1nny s GLU 167 Cb 0.00 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1nny s GLU 167 CO 0.00 0.30 -0.04 0.95 -0.54 0.00 0.00 175.26 175.93 1nny s THR 168 N -0.11 3.57 -0.09 -1.70 -4.23 -1.26 -0.39 115.64 111.43 1nny s THR 168 Ca 0.38 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 59.32 1nny s THR 168 Cb -0.21 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1nny s THR 168 CO 0.23 -0.06 0.36 -0.60 -0.54 0.00 0.00 174.62 174.01 1nny s ARG 169 N -2.77 0.56 0.03 3.99 3.52 -0.06 -5.00 118.95 119.21 1nny s ARG 169 Ca 0.26 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.93 1nny s ARG 169 Cb -0.10 0.26 -0.06 0.00 -1.56 0.00 0.00 34.95 33.49 1nny s ARG 169 CO 0.17 -0.12 0.45 -2.00 -0.81 0.00 0.00 175.30 173.00 1nny s GLU 170 N -0.46 3.98 -0.02 5.12 2.12 -1.26 -1.01 118.70 127.16 1nny s GLU 170 Ca -0.06 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.78 1nny s GLU 170 Cb -0.04 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1nny s GLU 170 CO 0.02 0.67 -0.08 0.42 -0.54 0.00 0.00 175.26 175.75 1nny s ILE 171 N -1.12 0.72 -0.19 -3.70 1.01 0.12 -4.89 121.20 113.15 1nny s ILE 171 Ca 0.26 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1nny s ILE 171 Cb -0.17 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1nny s ILE 171 CO 0.15 0.23 0.16 -0.76 0.00 0.00 0.00 174.94 174.72 1nny s LEU 172 N 0.22 4.21 -0.35 2.97 1.43 -0.74 -0.19 118.68 126.23 1nny s LEU 172 Ca -0.03 0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1nny s LEU 172 Cb -0.08 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1nny s LEU 172 CO 0.00 0.16 0.18 -2.28 0.23 0.00 0.00 176.35 174.65 1nny s HIS 173 N 0.40 3.22 -0.50 0.29 5.65 -0.01 -1.15 115.29 123.20 1nny s HIS 173 Ca 0.09 -0.86 -0.15 0.00 0.25 0.00 0.00 55.06 54.39 1nny s HIS 173 Cb -0.11 -2.40 0.10 0.00 -1.18 0.00 0.00 32.58 28.98 1nny s HIS 173 CO -0.01 -0.59 0.43 -0.06 -0.65 0.00 0.00 174.74 173.86 1nny s PHE 174 N 1.57 3.26 -0.42 3.88 0.08 0.90 -1.34 117.98 125.90 1nny s PHE 174 Ca 0.03 -1.13 -0.10 0.00 0.12 0.00 0.00 56.93 55.86 1nny s PHE 174 Cb -0.18 -3.41 0.08 0.00 -0.57 0.00 0.00 43.02 38.93 1nny s PHE 174 CO 0.06 -0.89 0.27 -1.58 -0.10 0.00 0.00 175.22 172.98 1nny s HIS 175 N 1.61 3.33 -0.40 0.36 2.46 -0.21 -0.15 115.29 122.29 1nny s HIS 175 Ca 0.04 -1.47 -0.29 0.00 0.47 0.00 0.00 55.06 53.81 1nny s HIS 175 Cb -0.26 -2.95 0.02 0.00 -0.13 0.00 0.00 32.58 29.25 1nny s HIS 175 CO 0.05 -0.84 1.09 -0.47 -2.47 0.00 0.00 174.74 172.10 1nny s TYR 176 N 1.44 2.99 -2.64 3.88 6.14 0.58 -0.46 117.35 129.28 1nny s TYR 176 Ca 0.03 0.93 0.22 0.00 0.64 0.00 0.00 57.07 58.89 1nny s TYR 176 Cb -0.23 -4.02 0.22 0.00 0.42 0.00 0.00 41.96 38.35 1nny s TYR 176 CO 0.03 -1.00 1.23 0.25 0.64 0.00 0.00 175.55 176.69 1nny n THR 177 N 6.32 0.11 -1.19 4.34 -2.24 -1.01 -3.92 114.28 116.69 1nny n THR 177 Ca 0.11 -0.56 0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1nny n THR 177 Cb 0.48 1.35 0.17 0.00 -2.10 0.00 0.00 70.33 70.23 1nny n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nny n THR 178 N 1.27 2.02 -1.93 4.28 -2.24 -1.16 -4.95 114.28 111.57 1nny n THR 178 Ca 0.14 -2.46 -0.42 0.00 -2.27 0.00 0.00 64.05 59.05 1nny n THR 178 Cb 0.56 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1nny n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1nny s TRP 179 N -2.97 2.99 1.01 4.78 -0.11 -1.26 -4.94 118.94 118.44 1nny s TRP 179 Ca 0.35 0.79 -0.13 0.00 1.22 0.00 0.00 56.10 58.33 1nny s TRP 179 Cb 0.31 -3.92 0.12 0.00 -1.50 0.00 0.00 33.47 28.48 1nny s TRP 179 CO 0.01 -3.19 0.63 -0.35 -4.62 0.00 0.00 176.95 169.43 1nny n PRO 180 N 3.05 -0.93 -0.12 5.86 -0.04 -1.26 -4.94 135.00 136.63 1nny n PRO 180 Ca 0.10 -0.23 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1nny n PRO 180 Cb 0.39 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1nny n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1nny h ASP 181 N -1.93 0.72 -4.31 3.54 3.32 -1.98 -3.45 116.42 112.33 1nny h ASP 181 Ca -0.48 -0.39 -0.45 0.00 0.02 0.00 0.00 57.03 55.73 1nny h ASP 181 Cb 1.30 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 1nny h ASP 181 CO 0.39 0.94 -0.79 -0.36 -1.72 0.00 0.00 179.24 177.71 1nny s PHE 182 N -4.69 1.40 0.00 4.55 0.40 -1.26 -5.00 117.98 113.37 1nny s PHE 182 Ca -0.13 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.73 1nny s PHE 182 Cb 0.09 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.86 1nny s PHE 182 CO 0.81 0.11 0.00 0.41 0.70 0.00 0.00 175.22 177.25 1nny n GLY 183 N 1.07 0.61 3.56 4.36 0.00 -1.26 -4.90 105.19 108.62 1nny n GLY 183 Ca -0.20 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1nny n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nny s VAL 184 N 0.00 1.60 0.40 1.61 -7.23 -1.26 -4.73 120.40 110.78 1nny s VAL 184 Ca 0.00 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 1nny s VAL 184 Cb 0.00 -2.86 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 1nny s VAL 184 CO 0.00 0.00 1.40 -2.84 -0.31 0.00 0.00 175.10 173.35 1nny s PRO 185 N -3.79 3.99 0.21 4.82 0.02 -1.26 -4.90 135.00 134.09 1nny s PRO 185 Ca 0.34 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 63.64 1nny s PRO 185 Cb 0.09 -2.85 0.16 0.00 0.02 0.00 0.00 34.50 31.92 1nny s PRO 185 CO 0.16 -0.56 1.88 0.93 -0.33 0.00 0.00 177.00 179.09 1nny h GLU 186 N 2.79 0.99 -6.05 5.54 3.07 -1.99 -3.41 114.58 115.51 1nny h GLU 186 Ca -0.50 -0.06 -0.69 0.00 -0.50 0.00 0.00 59.36 57.61 1nny h GLU 186 Cb 1.25 -0.22 -0.28 0.00 -0.84 0.00 0.00 28.75 28.65 1nny h GLU 186 CO 0.63 0.65 -0.84 0.45 -1.40 0.00 0.00 179.01 178.51 1nny s SER 187 N -5.88 3.46 0.00 1.42 0.15 -1.26 -5.00 113.70 106.58 1nny s SER 187 Ca -0.13 -0.40 0.28 0.00 0.70 0.00 0.00 55.95 56.40 1nny s SER 187 Cb 0.15 -0.91 1.59 0.00 -1.71 0.00 0.00 66.02 65.14 1nny s SER 187 CO 0.78 0.27 2.03 -0.81 1.20 0.00 0.00 173.24 176.71 1nny n PRO 188 N 2.82 1.09 -0.05 5.44 -0.04 -1.26 -4.37 135.00 138.63 1nny n PRO 188 Ca -0.17 -0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.05 1nny n PRO 188 Cb 0.52 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1nny n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nny h ALA 189 N 3.94 -0.71 -0.14 0.55 0.00 -1.97 0.29 119.26 121.21 1nny h ALA 189 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nny h ALA 189 Cb 0.07 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1nny h ALA 189 CO 0.00 -0.88 -0.04 0.66 0.00 0.00 0.00 179.25 178.99 1nny h SER 190 N -0.36 0.18 -0.30 0.00 4.64 -2.00 -0.41 113.55 115.31 1nny h SER 190 Ca 0.04 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 1nny h SER 190 Cb 0.46 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1nny h SER 190 CO -0.37 0.27 -0.35 0.15 -0.87 0.00 0.00 176.83 175.66 1nny h PHE 191 N 0.20 0.92 -0.47 4.77 3.57 -1.68 -1.22 116.94 123.03 1nny h PHE 191 Ca 0.05 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 1nny h PHE 191 Cb 0.22 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1nny h PHE 191 CO 0.00 1.06 0.22 -0.07 -2.23 0.00 0.00 178.31 177.30 1nny h LEU 192 N 0.51 0.62 -1.56 0.59 3.38 0.33 -1.37 115.31 117.82 1nny h LEU 192 Ca 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1nny h LEU 192 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1nny h LEU 192 CO 0.08 0.58 -0.12 0.78 0.09 0.00 0.00 178.44 179.86 1nny h ASN 193 N 0.61 0.13 -0.08 -0.43 2.35 -0.96 -1.60 115.58 115.61 1nny h ASN 193 Ca 0.16 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1nny h ASN 193 Cb 0.13 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1nny h ASN 193 CO -0.02 0.27 0.00 0.15 -1.65 0.00 0.00 177.43 176.18 1nny h PHE 194 N 0.14 0.14 -0.49 1.19 3.57 -0.49 -1.56 116.94 119.43 1nny h PHE 194 Ca 0.03 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1nny h PHE 194 Cb 0.29 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1nny h PHE 194 CO 0.00 0.38 0.23 1.25 -2.23 0.00 0.00 178.31 177.94 1nny h LEU 195 N -0.14 0.32 -0.85 0.59 5.85 -0.86 -0.80 115.31 119.42 1nny h LEU 195 Ca 0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1nny h LEU 195 Cb 0.32 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1nny h LEU 195 CO 0.00 0.22 0.46 -0.26 -0.34 0.00 0.00 178.44 178.52 1nny h PHE 196 N 0.45 1.18 -0.62 1.25 0.05 -1.21 0.32 116.94 118.37 1nny h PHE 196 Ca 0.22 -0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.94 1nny h PHE 196 Cb 0.15 -0.38 -0.03 0.00 2.00 0.00 0.00 35.95 37.70 1nny h PHE 196 CO -0.11 0.83 0.25 -0.22 -0.18 0.00 0.00 178.31 178.87 1nny h LYS 197 N 1.20 0.90 -0.35 1.51 1.63 -0.66 0.30 116.57 121.09 1nny h LYS 197 Ca 0.30 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1nny h LYS 197 Cb 0.04 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1nny h LYS 197 CO -0.05 0.73 -0.09 0.28 -3.45 0.00 0.00 179.45 176.87 1nny h VAL 198 N 0.89 1.28 0.06 2.00 2.07 0.35 -2.89 116.25 120.01 1nny h VAL 198 Ca 0.21 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1nny h VAL 198 Cb 0.17 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1nny h VAL 198 CO -0.02 0.38 -0.11 0.03 0.02 0.00 0.00 177.57 177.88 1nny h ARG 199 N 0.48 -0.21 -1.02 1.57 3.08 0.53 -2.84 114.38 115.97 1nny h ARG 199 Ca 0.09 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.41 1nny h ARG 199 Cb 0.60 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.61 1nny h ARG 199 CO 0.04 -0.14 0.66 0.93 -1.07 0.00 0.00 179.97 180.39 1nny h GLU 200 N -0.21 0.37 0.00 0.04 5.08 -0.36 0.38 114.58 119.88 1nny h GLU 200 Ca 0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nny h GLU 200 Cb 0.23 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1nny h GLU 200 CO -0.06 0.25 -0.01 0.66 -1.00 0.00 0.00 179.01 178.84 1nny h SER 201 N 0.39 0.00 0.00 1.42 4.64 -1.29 -3.46 113.55 115.25 1nny h SER 201 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1nny h SER 201 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1nny h SER 201 CO -0.26 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 1nny n GLY 202 N -0.38 0.58 0.23 -0.77 0.00 0.12 -4.94 105.19 100.04 1nny n GLY 202 Ca -0.01 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1nny n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nny h SER 203 N 0.00 0.00 0.05 1.61 0.02 -1.75 -2.96 113.55 110.52 1nny h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nny h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nny h SER 203 CO 0.00 0.04 -0.22 0.18 -1.14 0.00 0.00 176.83 175.69 1nny n LEU 204 N -3.12 1.90 -4.85 5.07 4.77 -1.26 -4.17 117.00 115.34 1nny n LEU 204 Ca 0.03 -0.64 -0.32 0.00 -0.03 0.00 0.00 56.01 55.05 1nny n LEU 204 Cb 0.47 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1nny n LEU 204 CO 0.32 0.33 0.70 -0.44 -1.33 0.00 0.00 177.39 176.98 1nny s SER 205 N -2.28 6.33 0.58 -1.43 0.01 -1.12 -4.84 113.70 110.96 1nny s SER 205 Ca 0.26 1.52 0.28 0.00 1.31 0.00 0.00 55.95 59.32 1nny s SER 205 Cb 0.19 -2.49 1.76 0.00 0.21 0.00 0.00 66.02 65.69 1nny s SER 205 CO 0.45 -0.79 2.24 -0.65 0.41 0.00 0.00 173.24 174.89 1nny h PRO 206 N 0.24 0.00 0.00 12.44 0.11 -1.93 -2.82 132.00 140.04 1nny h PRO 206 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1nny h PRO 206 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nny h PRO 206 CO 0.61 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1nny n GLU 207 N -3.92 0.94 -4.61 1.05 0.00 -1.26 -4.79 120.64 108.05 1nny n GLU 207 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.86 1nny n GLU 207 Cb 0.10 -1.40 -0.10 0.00 0.00 0.00 0.00 31.44 30.04 1nny n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1nny s HIS 208 N -2.00 2.19 0.79 -1.84 3.76 -1.06 -5.13 115.29 112.00 1nny s HIS 208 Ca 0.36 -0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 54.31 1nny s HIS 208 Cb 0.17 -1.59 0.07 0.00 1.11 0.00 0.00 32.58 32.34 1nny s HIS 208 CO 0.28 0.24 1.13 0.20 -0.85 0.00 0.00 174.74 175.74 1nny s GLY 209 N -3.70 1.61 0.62 -2.22 0.00 0.39 -4.94 107.32 99.08 1nny s GLY 209 Ca 0.27 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.38 1nny s GLY 209 CO 0.14 0.03 1.26 2.56 0.00 0.00 0.00 173.10 177.08 1nny s PRO 210 N -5.35 2.74 0.67 2.90 0.04 -1.26 -4.30 135.00 130.44 1nny s PRO 210 Ca 0.61 1.97 -0.15 0.00 0.04 0.00 0.00 61.00 63.47 1nny s PRO 210 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1nny s PRO 210 CO 0.52 -1.43 1.13 0.54 0.04 0.00 0.00 177.00 177.80 1nny s VAL 211 N -1.47 3.07 -0.28 -0.36 0.11 -1.26 -4.46 120.40 115.75 1nny s VAL 211 Ca 0.80 0.50 -0.08 0.00 -2.93 0.00 0.00 61.98 60.28 1nny s VAL 211 Cb -0.35 -3.03 -0.01 0.00 -1.53 0.00 0.00 36.38 31.47 1nny s VAL 211 CO 0.37 -0.30 0.09 -0.69 -3.33 0.00 0.00 175.10 171.24 1nny s VAL 212 N -2.28 4.21 -0.02 2.04 1.01 -0.89 -0.13 120.40 124.35 1nny s VAL 212 Ca 0.68 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1nny s VAL 212 Cb -0.22 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1nny s VAL 212 CO 0.42 0.17 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 1nny s VAL 213 N 1.57 3.19 -0.11 2.92 1.01 0.13 0.52 120.40 129.63 1nny s VAL 213 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1nny s VAL 213 Cb -0.16 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.02 1nny s VAL 213 CO 0.04 0.48 0.92 -1.38 0.00 0.00 0.00 175.10 175.16 1nny s HIS 214 N -0.85 -0.41 0.00 5.22 -3.43 -0.25 -1.20 115.29 114.37 1nny s HIS 214 Ca 0.14 0.62 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 1nny s HIS 214 Cb -0.11 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1nny s HIS 214 CO 0.03 -0.43 0.00 0.00 -2.00 0.00 0.00 174.74 172.35 1nny n SER 216 N 0.00 1.93 0.00 0.00 2.88 -1.26 -2.52 113.62 114.65 1nny n SER 216 Ca 0.00 0.36 0.11 0.00 -1.33 0.00 0.00 58.87 58.01 1nny n SER 216 Cb 0.00 -0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 1nny n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nny n ALA 217 N -4.10 4.29 -3.24 -1.46 0.00 -1.26 -1.02 120.51 113.72 1nny n ALA 217 Ca -0.44 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 1nny n ALA 217 Cb 0.78 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 19.42 1nny n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nny n GLY 218 N 1.48 -0.15 0.00 0.00 0.00 -1.24 -4.24 105.19 101.04 1nny n GLY 218 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1nny n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nny n ILE 219 N -4.32 0.00 0.00 -0.61 -5.35 -1.26 -4.44 119.36 103.38 1nny n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1nny n ILE 219 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1nny n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nny n GLY 220 N 1.09 0.91 0.25 3.28 0.00 -1.26 -0.80 105.19 108.66 1nny n GLY 220 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1nny n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nny h ARG 221 N 0.00 0.22 -0.53 1.61 3.08 -1.96 -1.35 114.38 115.45 1nny h ARG 221 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1nny h ARG 221 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1nny h ARG 221 CO 0.00 0.30 -0.02 0.77 -1.07 0.00 0.00 179.97 179.96 1nny h SER 222 N 0.22 0.89 -0.47 7.04 0.02 -1.88 -2.53 113.55 116.84 1nny h SER 222 Ca 0.05 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1nny h SER 222 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1nny h SER 222 CO 0.01 0.96 0.29 1.23 -1.14 0.00 0.00 176.83 178.18 1nny h GLY 223 N 0.99 0.68 1.19 -3.77 0.00 -0.90 -2.03 103.07 99.24 1nny h GLY 223 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1nny h GLY 223 CO 0.03 0.27 0.38 -0.91 0.00 0.00 0.00 176.54 176.31 1nny h THR 224 N 0.63 1.23 0.70 4.70 1.35 -1.19 0.61 112.91 120.94 1nny h THR 224 Ca 0.17 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 1nny h THR 224 Cb -0.02 0.24 0.01 0.00 -1.73 0.00 0.00 68.15 66.65 1nny h THR 224 CO -0.03 0.27 -0.34 0.15 -0.25 0.00 0.00 175.52 175.32 1nny h PHE 225 N 1.06 -0.87 -0.24 4.73 3.57 -1.04 -1.46 116.94 122.69 1nny h PHE 225 Ca 0.26 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1nny h PHE 225 Cb 0.07 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1nny h PHE 225 CO 0.01 -0.52 0.14 0.00 -2.23 0.00 0.00 178.31 175.71 1nny h LEU 227 N 0.29 0.42 -0.07 0.00 5.85 -0.87 -0.30 115.31 120.62 1nny h LEU 227 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1nny h LEU 227 Cb -0.01 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1nny h LEU 227 CO -0.04 0.28 0.01 0.00 -0.34 0.00 0.00 178.44 178.36 1nny h ALA 228 N 1.29 0.10 -0.18 1.25 0.00 -1.07 -1.21 119.26 119.44 1nny h ALA 228 Ca 0.24 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1nny h ALA 228 Cb 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1nny h ALA 228 CO -0.16 -0.26 -0.12 0.22 0.00 0.00 0.00 179.25 178.92 1nny h ASP 229 N -0.11 -0.38 -0.61 0.00 3.58 -1.03 -0.93 116.42 116.93 1nny h ASP 229 Ca 0.02 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1nny h ASP 229 Cb 0.27 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 1nny h ASP 229 CO 0.00 -0.16 0.25 0.74 -2.88 0.00 0.00 179.24 177.19 1nny h THR 230 N -0.12 1.23 -0.68 2.25 2.02 -0.98 -1.09 112.91 115.54 1nny h THR 230 Ca 0.11 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 1nny h THR 230 Cb 0.27 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1nny h THR 230 CO -0.25 0.28 0.18 0.00 0.37 0.00 0.00 175.52 176.09 1nny h LEU 232 N 1.02 -0.04 -0.93 0.00 3.38 -0.99 -2.04 115.31 115.71 1nny h LEU 232 Ca 0.22 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1nny h LEU 232 Cb 0.34 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1nny h LEU 232 CO -0.00 0.24 0.59 0.25 0.09 0.00 0.00 178.44 179.61 1nny h LEU 233 N -0.32 0.92 -0.98 1.67 5.85 -0.99 -1.02 115.31 120.44 1nny h LEU 233 Ca -0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1nny h LEU 233 Cb 0.30 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1nny h LEU 233 CO 0.01 0.58 0.21 -0.07 -0.34 0.00 0.00 178.44 178.82 1nny h LEU 234 N 1.05 0.87 -1.96 2.25 3.38 -0.83 -1.39 115.31 118.69 1nny h LEU 234 Ca 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1nny h LEU 234 Cb 0.20 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1nny h LEU 234 CO -0.18 0.81 -0.11 0.24 0.09 0.00 0.00 178.44 179.29 1nny h MET 235 N 0.92 0.00 0.00 1.13 2.86 -0.45 -1.31 114.93 118.08 1nny h MET 235 Ca 0.21 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1nny h MET 235 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1nny h MET 235 CO -0.01 0.11 -0.36 -0.44 1.06 0.00 0.00 176.91 177.27 1nny h ASP 236 N 0.00 0.00 0.38 1.22 3.32 -0.85 -3.31 116.42 117.18 1nny h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nny h ASP 236 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1nny h ASP 236 CO 0.01 0.36 -1.32 0.29 -1.72 0.00 0.00 179.24 176.86 1nny n LYS 237 N -3.35 0.45 -3.90 3.56 5.02 -0.54 -4.98 118.16 114.42 1nny n LYS 237 Ca 0.01 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1nny n LYS 237 Cb 0.57 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1nny n LYS 237 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nny s ARG 238 N -3.32 3.46 0.19 1.97 0.52 -0.90 -4.98 118.95 115.88 1nny s ARG 238 Ca -0.00 -0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1nny s ARG 238 Cb 0.13 -2.98 0.10 0.00 0.52 0.00 0.00 34.95 32.72 1nny s ARG 238 CO 0.84 0.55 1.58 0.87 0.02 0.00 0.00 175.30 179.16 1nny h LYS 239 N 2.57 0.87 -3.90 3.54 1.57 -1.93 -3.35 116.57 115.94 1nny h LYS 239 Ca -0.47 -0.37 -0.69 0.00 -1.87 0.00 0.00 60.65 57.25 1nny h LYS 239 Cb 1.18 -0.03 -0.35 0.00 0.08 0.00 0.00 32.23 33.11 1nny h LYS 239 CO 0.72 1.01 -0.44 0.34 -0.57 0.00 0.00 179.45 180.52 1nny s ASP 240 N -6.75 5.22 0.53 0.86 3.68 -1.26 -4.97 116.67 113.98 1nny s ASP 240 Ca -0.10 -2.57 0.20 0.00 2.13 0.00 0.00 52.55 52.21 1nny s ASP 240 Cb 0.13 -1.84 1.36 0.00 -1.45 0.00 0.00 42.92 41.11 1nny s ASP 240 CO 0.85 -0.43 2.11 -0.65 0.13 0.00 0.00 175.17 177.18 1nny h PRO 241 N 7.37 0.00 0.00 4.34 0.11 -1.81 -2.25 132.00 139.76 1nny h PRO 241 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1nny h PRO 241 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1nny h PRO 241 CO 0.71 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1nny n SER 242 N -4.42 0.00 0.05 -2.05 3.41 -1.26 -3.00 113.62 106.35 1nny n SER 242 Ca 0.01 -0.84 0.13 0.00 -0.26 0.00 0.00 58.87 57.91 1nny n SER 242 Cb 0.26 -0.04 0.37 0.00 -0.26 0.00 0.00 64.21 64.54 1nny n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nny n SER 243 N -1.04 0.54 -4.60 4.04 3.41 -0.85 -3.40 113.62 111.71 1nny n SER 243 Ca 0.22 0.30 -0.43 0.00 -0.26 0.00 0.00 58.87 58.70 1nny n SER 243 Cb 0.12 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1nny n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nny s VAL 244 N -3.08 3.28 -0.56 -3.33 1.01 -1.16 -4.93 120.40 111.63 1nny s VAL 244 Ca 0.10 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1nny s VAL 244 Cb 0.15 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.25 1nny s VAL 244 CO 0.63 -0.22 0.71 -0.62 0.00 0.00 0.00 175.10 175.60 1nny s ASP 245 N 6.83 6.21 0.40 3.32 -1.08 -1.26 -4.77 116.67 126.32 1nny s ASP 245 Ca 0.88 -1.11 0.09 0.00 -0.52 0.00 0.00 52.55 51.90 1nny s ASP 245 Cb -0.28 -2.31 0.89 0.00 -1.46 0.00 0.00 42.92 39.75 1nny s ASP 245 CO 0.34 -1.06 1.99 -0.29 0.52 0.00 0.00 175.17 176.67 1nny h ILE 246 N 5.91 0.98 -0.15 4.11 2.10 -1.97 -1.42 117.51 127.07 1nny h ILE 246 Ca -0.28 -0.20 -0.01 0.00 1.08 0.00 0.00 64.86 65.45 1nny h ILE 246 Cb 1.09 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 1nny h ILE 246 CO 1.05 0.10 0.06 0.11 -1.08 0.00 0.00 178.15 178.40 1nny h LYS 247 N 0.57 0.22 -0.71 2.19 1.57 -1.99 0.38 116.57 118.80 1nny h LYS 247 Ca 0.27 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1nny h LYS 247 Cb 0.32 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 1nny h LYS 247 CO -0.08 0.30 0.31 -0.22 -0.57 0.00 0.00 179.45 179.19 1nny h LYS 248 N 0.10 0.49 -0.43 3.15 3.64 -1.76 -0.09 116.57 121.67 1nny h LYS 248 Ca 0.05 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1nny h LYS 248 Cb 0.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nny h LYS 248 CO -0.00 0.32 -0.09 0.28 -2.27 0.00 0.00 179.45 177.68 1nny h VAL 249 N 0.50 1.27 -0.39 2.00 2.07 -0.77 -1.65 116.25 119.28 1nny h VAL 249 Ca 0.37 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1nny h VAL 249 Cb 0.47 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1nny h VAL 249 CO -0.33 0.41 0.25 0.25 0.02 0.00 0.00 177.57 178.17 1nny h LEU 250 N 0.65 0.42 -1.62 2.57 5.85 0.01 -0.61 115.31 122.58 1nny h LEU 250 Ca 0.11 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1nny h LEU 250 Cb 0.63 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1nny h LEU 250 CO 0.04 0.30 0.01 -0.07 -0.34 0.00 0.00 178.44 178.38 1nny h LEU 251 N 0.51 0.22 -0.30 2.25 3.38 -0.91 0.51 115.31 120.97 1nny h LEU 251 Ca 0.15 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1nny h LEU 251 Cb -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1nny h LEU 251 CO -0.05 0.26 -0.32 -0.08 0.09 0.00 0.00 178.44 178.34 1nny h GLU 252 N 0.24 0.75 -0.26 1.13 4.57 -0.35 -3.02 114.58 117.64 1nny h GLU 252 Ca 0.06 -0.40 -0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1nny h GLU 252 Cb 0.15 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1nny h GLU 252 CO 0.00 1.03 -0.17 0.52 -1.18 0.00 0.00 179.01 179.21 1nny h MET 253 N 0.51 0.46 0.00 1.92 2.86 0.16 -2.45 114.93 118.39 1nny h MET 253 Ca 0.05 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nny h MET 253 Cb 0.90 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1nny h MET 253 CO 0.08 0.62 0.00 0.54 1.06 0.00 0.00 176.91 179.21 1nny n ARG 254 N -4.18 0.24 0.23 1.72 1.74 0.04 -0.95 116.66 115.50 1nny n ARG 254 Ca 0.00 0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.33 1nny n ARG 254 Cb 0.34 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.56 1nny n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1nny h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.43 -3.28 116.57 118.99 1nny h LYS 255 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1nny h LYS 255 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1nny h LYS 255 CO 0.00 0.03 -2.05 1.19 -0.57 0.00 0.00 179.45 178.05 1nny n PHE 256 N -3.11 0.00 -3.66 -1.35 3.72 -0.12 -4.95 117.46 107.98 1nny n PHE 256 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 1nny n PHE 256 Cb 0.49 -0.63 -0.08 0.00 -0.94 0.00 0.00 39.48 38.32 1nny n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1nny s ARG 257 N -3.05 0.65 0.72 -1.08 3.52 -1.14 -4.50 118.95 114.07 1nny s ARG 257 Ca -0.08 0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 56.39 1nny s ARG 257 Cb 0.10 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1nny s ARG 257 CO 0.81 -0.12 1.09 0.00 -0.81 0.00 0.00 175.30 176.26 1nny s MET 258 N 1.03 2.55 0.00 5.12 0.23 -1.26 -4.22 119.30 122.76 1nny s MET 258 Ca -0.06 1.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.79 1nny s MET 258 Cb -0.05 -1.93 0.00 0.00 -1.53 0.00 0.00 34.83 31.31 1nny s MET 258 CO -0.10 -1.42 0.00 0.41 -2.03 0.00 0.00 175.02 171.89 1nny n GLY 259 N -1.18 1.21 3.65 3.16 0.00 -1.26 -4.90 105.19 105.86 1nny n GLY 259 Ca 0.09 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.49 1nny n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nny n LEU 260 N 0.00 1.64 -1.62 0.99 4.77 -1.25 -3.34 117.00 118.19 1nny n LEU 260 Ca 0.00 1.02 -0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1nny n LEU 260 Cb 0.00 -1.00 -0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1nny n LEU 260 CO 0.00 -0.67 -0.07 -0.38 -1.33 0.00 0.00 177.39 174.94 1nny n ILE 261 N 4.80 -3.85 0.49 -0.08 2.08 0.02 -4.98 119.36 117.84 1nny n ILE 261 Ca 0.33 0.27 0.12 0.00 0.56 0.00 0.00 62.75 64.04 1nny n ILE 261 Cb 0.03 -3.92 0.11 0.00 -0.75 0.00 0.00 39.64 35.12 1nny n ILE 261 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1nny h GLN 262 N 0.41 0.00 -4.58 0.38 1.08 -1.78 -3.48 115.11 107.12 1nny h GLN 262 Ca -0.05 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.94 1nny h GLN 262 Cb 0.11 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.39 1nny h GLN 262 CO 0.00 0.00 -0.69 0.95 -0.95 0.00 0.00 178.83 178.14 1nny s THR 263 N -3.21 0.59 0.42 -0.54 -4.23 -1.26 -5.02 115.64 102.39 1nny s THR 263 Ca 0.04 -1.92 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1nny s THR 263 Cb 0.13 -1.70 0.23 0.00 1.34 0.00 0.00 72.50 72.50 1nny s THR 263 CO 0.75 -0.85 2.03 0.00 -0.54 0.00 0.00 174.62 176.01 1nny h ALA 264 N 2.97 1.69 -0.21 3.99 0.00 -1.93 -1.79 119.26 123.98 1nny h ALA 264 Ca -0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1nny h ALA 264 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1nny h ALA 264 CO 0.65 0.25 0.11 -0.44 0.00 0.00 0.00 179.25 179.81 1nny h ASP 265 N 0.35 0.28 -0.29 0.00 5.19 -1.96 0.14 116.42 120.14 1nny h ASP 265 Ca 0.09 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1nny h ASP 265 Cb 0.09 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1nny h ASP 265 CO -0.01 0.31 0.08 1.56 -3.12 0.00 0.00 179.24 178.06 1nny h GLN 266 N 0.22 0.55 -0.23 3.56 4.20 -1.80 0.30 115.11 121.92 1nny h GLN 266 Ca 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1nny h GLN 266 Cb 0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1nny h GLN 266 CO -0.01 0.52 0.04 1.25 -0.67 0.00 0.00 178.83 179.96 1nny h LEU 267 N 0.54 0.36 -0.02 1.46 5.85 -0.66 0.12 115.31 122.95 1nny h LEU 267 Ca 0.12 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1nny h LEU 267 Cb 0.23 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1nny h LEU 267 CO -0.00 0.52 0.01 -0.09 -0.34 0.00 0.00 178.44 178.55 1nny h ARG 268 N 0.18 0.03 -0.94 1.25 2.43 -0.06 -1.42 114.38 115.85 1nny h ARG 268 Ca 0.07 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 1nny h ARG 268 Cb 0.32 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 1nny h ARG 268 CO 0.00 0.07 0.57 0.35 -1.51 0.00 0.00 179.97 179.45 1nny h PHE 269 N -0.01 1.04 0.16 2.20 3.57 -0.29 -0.44 116.94 123.17 1nny h PHE 269 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1nny h PHE 269 Cb 0.04 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 1nny h PHE 269 CO -0.06 0.40 -0.09 0.77 -2.23 0.00 0.00 178.31 177.10 1nny h SER 270 N 0.91 -0.22 -0.51 0.41 0.02 -0.10 -0.33 113.55 113.72 1nny h SER 270 Ca 0.47 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.53 1nny h SER 270 Cb 0.48 0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.00 1nny h SER 270 CO -0.27 -0.15 -0.01 1.88 -1.14 0.00 0.00 176.83 177.14 1nny h TYR 271 N -0.24 -0.05 0.24 3.45 -1.99 -0.19 -2.09 116.97 116.10 1nny h TYR 271 Ca -0.02 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.76 1nny h TYR 271 Cb 0.20 0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 1nny h TYR 271 CO -0.08 -0.13 -0.31 -0.07 -0.00 0.00 0.00 178.16 177.57 1nny h LEU 272 N 0.10 -0.86 -0.86 3.88 3.38 -0.60 -0.80 115.31 119.54 1nny h LEU 272 Ca 0.26 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1nny h LEU 272 Cb 0.39 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 1nny h LEU 272 CO -0.43 -0.43 0.52 0.00 0.09 0.00 0.00 178.44 178.19 1nny h ALA 273 N -0.02 1.22 0.87 1.53 0.00 -0.77 0.20 119.26 122.29 1nny h ALA 273 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nny h ALA 273 Cb 0.58 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nny h ALA 273 CO -0.11 0.21 -0.42 0.28 0.00 0.00 0.00 179.25 179.21 1nny h VAL 274 N 0.91 0.00 -0.40 0.00 2.07 -1.16 0.52 116.25 118.19 1nny h VAL 274 Ca 0.40 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.85 1nny h VAL 274 Cb 0.27 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.95 1nny h VAL 274 CO -0.21 0.00 -0.32 0.40 0.02 0.00 0.00 177.57 177.46 1nny h ILE 275 N -1.31 0.24 -0.29 4.57 2.04 -0.83 0.61 117.51 122.53 1nny h ILE 275 Ca -0.12 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1nny h ILE 275 Cb 0.90 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1nny h ILE 275 CO 0.20 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 178.06 1nny h GLU 276 N -0.25 0.54 -0.72 2.37 4.57 -0.61 -2.97 114.58 117.51 1nny h GLU 276 Ca 0.18 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1nny h GLU 276 Cb 0.53 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1nny h GLU 276 CO -0.54 0.71 0.39 0.78 -1.18 0.00 0.00 179.01 179.17 1nny h GLY 277 N 0.99 1.09 1.14 1.92 0.00 0.18 -1.98 103.07 106.41 1nny h GLY 277 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1nny h GLY 277 CO 0.04 0.48 0.53 0.00 0.00 0.00 0.00 176.54 177.60 1nny h ALA 278 N 1.19 1.33 0.01 3.60 0.00 -0.81 -2.28 119.26 122.31 1nny h ALA 278 Ca 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nny h ALA 278 Cb 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1nny h ALA 278 CO -0.04 0.59 -0.00 0.87 0.00 0.00 0.00 179.25 180.67 1nny h LYS 279 N 1.17 -0.01 -0.69 0.00 1.57 -1.33 -3.11 116.57 114.18 1nny h LYS 279 Ca 0.31 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1nny h LYS 279 Cb -0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1nny h LYS 279 CO -0.06 0.19 0.45 0.35 -0.57 0.00 0.00 179.45 179.82 1nny h PHE 280 N -0.21 0.81 -0.65 -1.35 3.04 -1.04 0.52 116.94 118.07 1nny h PHE 280 Ca -0.00 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 1nny h PHE 280 Cb 0.20 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1nny h PHE 280 CO -0.01 0.49 0.14 0.82 -2.02 0.00 0.00 178.31 177.73 1nny h ILE 281 N 0.85 1.25 -0.00 1.41 2.04 -1.36 -2.83 117.51 118.88 1nny h ILE 281 Ca 0.27 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1nny h ILE 281 Cb 0.02 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1nny h ILE 281 CO -0.07 0.36 -0.56 1.15 0.00 0.00 0.00 178.15 179.03 1nny n MET 282 N -4.23 0.15 -1.96 2.37 0.00 -1.03 -4.99 117.12 107.43 1nny n MET 282 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.65 1nny n MET 282 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.99 1nny n MET 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nny n GLY 283 N 1.48 0.58 0.00 3.17 0.00 0.09 -5.11 105.19 105.39 1nny n GLY 283 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1nny n GLY 283 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41