#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnf h GLU 4 N 0.00 0.00 -0.01 2.12 4.11 -1.98 -1.98 114.58 116.85 2cnf h GLU 4 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cnf h GLU 4 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2cnf h GLU 4 CO 0.00 0.09 0.00 0.87 0.07 0.00 0.00 179.01 180.04 2cnf h LYS 5 N 0.00 0.02 -0.54 1.06 1.57 -2.04 0.42 116.57 117.05 2cnf h LYS 5 Ca -0.00 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2cnf h LYS 5 Cb 1.04 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 2cnf h LYS 5 CO 0.01 0.27 0.32 1.49 -0.57 0.00 0.00 179.45 180.97 2cnf h GLU 6 N -0.24 0.61 0.05 3.15 4.81 -1.98 0.33 114.58 121.30 2cnf h GLU 6 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2cnf h GLU 6 Cb 0.26 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2cnf h GLU 6 CO 0.00 0.40 -0.04 0.35 -0.73 0.00 0.00 179.01 178.99 2cnf h PHE 7 N 0.63 -0.10 -0.21 0.92 3.57 -1.02 -1.16 116.94 119.56 2cnf h PHE 7 Ca 0.22 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2cnf h PHE 7 Cb 0.04 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2cnf h PHE 7 CO -0.07 -0.06 -0.09 0.93 -2.23 0.00 0.00 178.31 176.79 2cnf h GLU 8 N -0.09 0.33 -0.02 1.11 5.08 0.19 0.30 114.58 121.47 2cnf h GLU 8 Ca 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2cnf h GLU 8 Cb 0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2cnf h GLU 8 CO -0.01 0.43 -0.68 -0.56 -1.00 0.00 0.00 179.01 177.20 2cnf h GLN 9 N 0.32 0.09 0.07 2.33 3.07 -0.68 0.64 115.11 120.95 2cnf h GLN 9 Ca 0.07 -0.07 -0.14 0.00 0.09 0.00 0.00 58.65 58.59 2cnf h GLN 9 Cb 0.36 0.02 0.01 0.00 0.08 0.00 0.00 27.48 27.95 2cnf h GLN 9 CO 0.02 0.73 -0.60 0.82 0.09 0.00 0.00 178.83 179.89 2cnf h ILE 10 N 0.06 1.52 -0.47 1.86 2.04 -0.55 -2.63 117.51 119.34 2cnf h ILE 10 Ca -0.01 -2.30 -0.05 0.00 1.00 0.00 0.00 64.86 63.50 2cnf h ILE 10 Cb 1.21 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 40.24 2cnf h ILE 10 CO 0.10 0.65 0.11 -0.78 0.00 0.00 0.00 178.15 178.23 2cnf h ASP 11 N -0.36 0.71 -0.24 1.72 -0.00 -0.46 -0.12 116.42 117.67 2cnf h ASP 11 Ca -0.09 -0.23 0.06 0.00 -0.00 0.00 0.00 57.03 56.76 2cnf h ASP 11 Cb 1.40 -0.19 -0.06 0.00 -0.00 0.00 0.00 39.33 40.48 2cnf h ASP 11 CO 0.12 0.76 -0.17 0.50 -0.00 0.00 0.00 179.24 180.44 2cnf h LYS 12 N 0.63 -0.15 -0.00 0.28 3.64 -0.94 -0.43 116.57 119.59 2cnf h LYS 12 Ca 0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2cnf h LYS 12 Cb 0.33 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2cnf h LYS 12 CO 0.00 -0.10 -0.00 0.43 -2.27 0.00 0.00 179.45 177.51 2cnf n SER 13 N -5.33 0.00 -3.90 4.20 7.64 -0.99 -4.92 113.62 110.32 2cnf n SER 13 Ca -0.01 -0.82 -0.25 0.00 1.01 0.00 0.00 58.87 58.80 2cnf n SER 13 Cb 0.24 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2cnf n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cnf n GLY 14 N 1.06 -0.28 1.29 0.23 0.00 -0.13 -4.90 105.19 102.47 2cnf n GLY 14 Ca 0.22 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.31 2cnf n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cnf n SER 15 N -2.97 3.00 -0.01 1.61 3.41 -0.78 -4.75 113.62 113.14 2cnf n SER 15 Ca -0.25 -3.81 -0.04 0.00 -0.26 0.00 0.00 58.87 54.51 2cnf n SER 15 Cb 0.66 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 64.19 2cnf n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2cnf h TRP 16 N 1.22 0.60 -0.22 7.33 4.06 -1.91 -2.34 115.95 124.70 2cnf h TRP 16 Ca 0.24 -0.12 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 2cnf h TRP 16 Cb 1.52 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.52 2cnf h TRP 16 CO 1.02 0.72 -0.10 0.00 -3.56 0.00 0.00 178.44 176.52 2cnf h ALA 17 N 1.29 1.44 0.16 1.49 0.00 -1.92 0.52 119.26 122.23 2cnf h ALA 17 Ca 0.07 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2cnf h ALA 17 Cb 0.64 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.35 2cnf h ALA 17 CO 0.05 0.39 -1.14 0.00 0.00 0.00 0.00 179.25 178.55 2cnf h ALA 18 N 1.58 -0.07 -0.16 0.00 0.00 -1.88 -2.14 119.26 116.58 2cnf h ALA 18 Ca 0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2cnf h ALA 18 Cb 0.38 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2cnf h ALA 18 CO 0.02 0.57 0.08 0.82 0.00 0.00 0.00 179.25 180.74 2cnf h ILE 19 N 0.02 1.12 -0.74 0.00 1.08 -1.27 -1.29 117.51 116.44 2cnf h ILE 19 Ca -0.19 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 2cnf h ILE 19 Cb 1.86 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 36.65 2cnf h ILE 19 CO 0.22 0.12 0.48 0.22 -0.69 0.00 0.00 178.15 178.49 2cnf h TYR 20 N 0.13 0.90 0.00 1.37 3.20 -0.97 -2.46 116.97 119.14 2cnf h TYR 20 Ca 0.05 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 2cnf h TYR 20 Cb 0.12 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2cnf h TYR 20 CO -0.03 0.53 -0.41 1.96 -1.64 0.00 0.00 178.16 178.57 2cnf h GLN 21 N 0.95 0.00 -0.59 1.82 1.08 -1.17 -2.56 115.11 114.64 2cnf h GLN 21 Ca 0.29 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.45 2cnf h GLN 21 Cb -0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2cnf h GLN 21 CO -0.09 0.41 0.23 -0.44 -0.95 0.00 0.00 178.83 177.99 2cnf h ASP 22 N 0.00 0.82 -0.30 1.46 3.32 -0.78 -1.98 116.42 118.96 2cnf h ASP 22 Ca -0.00 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.89 2cnf h ASP 22 Cb 0.75 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2cnf h ASP 22 CO 0.05 0.77 0.17 0.40 -1.72 0.00 0.00 179.24 178.91 2cnf h ILE 23 N 0.82 1.02 -0.58 0.35 2.04 -1.19 -0.84 117.51 119.13 2cnf h ILE 23 Ca 0.20 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.95 2cnf h ILE 23 Cb 0.21 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2cnf h ILE 23 CO -0.02 0.06 0.37 0.03 0.00 0.00 0.00 178.15 178.60 2cnf h ARG 24 N 0.34 0.73 -0.21 2.37 3.08 -1.25 -0.12 114.38 119.32 2cnf h ARG 24 Ca 0.12 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2cnf h ARG 24 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2cnf h ARG 24 CO -0.07 0.48 -0.14 1.25 -1.07 0.00 0.00 179.97 180.43 2cnf h HIS 25 N 0.75 0.36 0.00 3.04 2.76 -1.02 -2.72 115.15 118.31 2cnf h HIS 25 Ca 0.22 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2cnf h HIS 25 Cb -0.04 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2cnf h HIS 25 CO -0.04 0.47 -0.46 0.39 -1.30 0.00 0.00 177.93 176.99 2cnf n GLU 26 N -4.24 0.07 -1.73 5.26 1.02 -0.35 -4.95 120.64 115.73 2cnf n GLU 26 Ca -0.00 0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 2cnf n GLU 26 Cb 0.30 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 2cnf n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cnf n ALA 27 N -1.58 1.67 -1.02 0.62 0.00 -0.10 -4.95 120.51 115.14 2cnf n ALA 27 Ca 0.05 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 2cnf n ALA 27 Cb 0.36 -2.33 0.11 0.00 0.00 0.00 0.00 19.45 17.60 2cnf n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cnf n SER 28 N 0.15 -0.67 -3.57 0.00 7.64 -1.26 -5.02 113.62 110.90 2cnf n SER 28 Ca 0.05 0.49 -0.26 0.00 1.01 0.00 0.00 58.87 60.17 2cnf n SER 28 Cb 0.40 -1.32 -0.16 0.00 -1.01 0.00 0.00 64.21 62.12 2cnf n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cnf s ASP 29 N -1.93 2.55 0.28 6.43 2.15 -1.26 -4.98 116.67 119.91 2cnf s ASP 29 Ca 0.65 -0.77 0.11 0.00 0.43 0.00 0.00 52.55 52.97 2cnf s ASP 29 Cb -0.28 -0.16 -0.05 0.00 -0.30 0.00 0.00 42.92 42.13 2cnf s ASP 29 CO 0.59 -0.38 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.68 2cnf s PHE 30 N 2.16 2.19 0.53 -5.34 0.08 -1.26 -5.13 117.98 111.21 2cnf s PHE 30 Ca 0.05 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.49 2cnf s PHE 30 Cb -0.16 -1.01 -0.07 0.00 -0.57 0.00 0.00 43.02 41.21 2cnf s PHE 30 CO -0.19 0.62 1.10 -1.25 -0.10 0.00 0.00 175.22 175.40 2cnf s PRO 31 N -3.56 3.50 -0.31 0.24 0.04 -1.26 -4.89 135.00 128.77 2cnf s PRO 31 Ca 0.29 1.52 0.12 0.00 0.04 0.00 0.00 61.00 62.97 2cnf s PRO 31 Cb -0.03 -2.04 0.47 0.00 0.04 0.00 0.00 34.50 32.94 2cnf s PRO 31 CO 0.14 -0.71 1.13 0.00 0.04 0.00 0.00 177.00 177.60 2cnf h ARG 33 N 2.44 0.67 -0.67 0.00 0.11 -1.93 -2.48 114.38 112.51 2cnf h ARG 33 Ca 0.17 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 60.15 2cnf h ARG 33 Cb 1.34 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 2cnf h ARG 33 CO 0.58 0.44 0.22 0.28 0.10 0.00 0.00 179.97 181.58 2cnf h VAL 34 N 0.69 1.25 0.00 0.08 2.07 -1.93 -2.33 116.25 116.09 2cnf h VAL 34 Ca 0.35 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2cnf h VAL 34 Cb 0.30 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2cnf h VAL 34 CO -0.23 0.33 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 2cnf h ALA 35 N 1.09 1.52 -0.01 1.67 0.00 -1.76 -2.73 119.26 119.04 2cnf h ALA 35 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2cnf h ALA 35 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2cnf h ALA 35 CO -0.01 0.19 -0.16 1.63 0.00 0.00 0.00 179.25 180.90 2cnf n LYS 36 N -4.04 0.97 -1.78 0.00 4.76 -0.90 -4.62 118.16 112.55 2cnf n LYS 36 Ca -0.02 -0.51 -0.41 0.00 -2.87 0.00 0.00 58.31 54.51 2cnf n LYS 36 Cb 0.24 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2cnf n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cnf s LEU 37 N -2.38 4.26 0.27 -0.35 1.43 -1.03 -4.88 118.68 116.00 2cnf s LEU 37 Ca 0.29 3.05 -0.00 0.00 -1.03 0.00 0.00 54.13 56.43 2cnf s LEU 37 Cb 0.20 -3.74 0.62 0.00 0.03 0.00 0.00 46.19 43.30 2cnf s LEU 37 CO 0.47 -0.98 1.69 -0.65 0.23 0.00 0.00 176.35 177.11 2cnf h PRO 38 N 2.80 0.32 0.00 1.29 0.11 -1.91 -0.74 132.00 133.87 2cnf h PRO 38 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2cnf h PRO 38 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2cnf h PRO 38 CO 0.63 0.21 0.00 1.57 -0.21 0.00 0.00 178.00 180.20 2cnf h LYS 39 N 0.33 0.00 -0.33 1.05 2.10 -1.96 -2.69 116.57 115.08 2cnf h LYS 39 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2cnf h LYS 39 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2cnf h LYS 39 CO -0.54 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.00 2cnf n ASN 40 N -2.35 3.38 -0.10 7.07 5.03 -0.29 -4.53 115.26 123.46 2cnf n ASN 40 Ca 0.01 -1.99 -0.06 0.00 0.87 0.00 0.00 54.58 53.40 2cnf n ASN 40 Cb 0.17 -0.21 0.02 0.00 -1.02 0.00 0.00 39.78 38.75 2cnf n ASN 40 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2cnf h LYS 41 N 4.52 0.22 -0.20 3.52 3.64 -1.49 -1.16 116.57 125.61 2cnf h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2cnf h LYS 41 Cb 0.99 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2cnf h LYS 41 CO 0.00 0.15 0.00 0.27 -2.27 0.00 0.00 179.45 177.60 2cnf n ASN 42 N -5.06 0.20 -0.38 4.20 0.23 -1.26 -2.25 115.26 110.94 2cnf n ASN 42 Ca 0.01 -1.42 0.05 0.00 -0.53 0.00 0.00 54.58 52.69 2cnf n ASN 42 Cb 0.15 -0.10 0.03 0.00 -2.08 0.00 0.00 39.78 37.78 2cnf n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2cnf n ARG 43 N -0.32 0.99 -4.38 -3.83 1.74 -0.44 -4.88 116.66 105.54 2cnf n ARG 43 Ca 0.00 -0.99 -0.34 0.00 -0.77 0.00 0.00 57.85 55.75 2cnf n ARG 43 Cb 0.05 -1.17 -0.15 0.00 -1.02 0.00 0.00 32.46 30.17 2cnf n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2cnf s ASN 44 N -1.06 3.80 0.14 0.55 0.01 -0.95 -4.37 114.94 113.06 2cnf s ASN 44 Ca 0.12 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.70 2cnf s ASN 44 Cb 0.09 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 40.14 2cnf s ASN 44 CO 0.17 0.06 1.55 -0.09 -1.51 0.00 0.00 177.10 177.28 2cnf h ARG 45 N 7.46 0.88 -4.89 -0.60 2.43 -1.90 -3.43 114.38 114.33 2cnf h ARG 45 Ca -0.35 -0.35 -0.58 0.00 -0.81 0.00 0.00 59.98 57.89 2cnf h ARG 45 Cb 1.18 -0.04 -0.33 0.00 -0.42 0.00 0.00 29.97 30.36 2cnf h ARG 45 CO 0.58 0.99 -0.84 0.71 -1.51 0.00 0.00 179.97 179.91 2cnf s TYR 46 N -4.76 1.85 -0.03 2.20 2.02 -1.26 -5.02 117.35 112.35 2cnf s TYR 46 Ca -0.12 -0.70 0.31 0.00 -0.37 0.00 0.00 57.07 56.19 2cnf s TYR 46 Cb 0.11 -1.29 1.35 0.00 -0.40 0.00 0.00 41.96 41.73 2cnf s TYR 46 CO 0.84 -0.31 1.93 0.07 -1.57 0.00 0.00 175.55 176.51 2cnf h ARG 47 N 6.81 0.00 -0.63 -0.62 0.11 -1.97 -2.77 114.38 115.31 2cnf h ARG 47 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2cnf h ARG 47 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2cnf h ARG 47 CO 0.47 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.14 2cnf n ASP 48 N -2.81 4.32 -3.81 0.08 5.75 -1.26 -4.79 116.55 114.03 2cnf n ASP 48 Ca 0.01 -2.30 -0.29 0.00 -0.01 0.00 0.00 54.79 52.19 2cnf n ASP 48 Cb 0.25 -0.52 -0.16 0.00 -1.03 0.00 0.00 41.12 39.67 2cnf n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cnf s VAL 49 N -1.57 1.04 0.09 2.12 1.01 -1.05 -5.09 120.40 116.96 2cnf s VAL 49 Ca 0.47 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2cnf s VAL 49 Cb 0.29 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2cnf s VAL 49 CO 0.26 -0.38 -0.09 -0.44 0.00 0.00 0.00 175.10 174.45 2cnf s SER 50 N 1.58 1.33 0.16 3.32 0.01 -1.26 -4.69 113.70 114.15 2cnf s SER 50 Ca 0.02 -0.84 -0.20 0.00 1.31 0.00 0.00 55.95 56.24 2cnf s SER 50 Cb -0.18 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 2cnf s SER 50 CO -0.14 -0.31 0.67 -2.16 0.41 0.00 0.00 173.24 171.71 2cnf s PRO 51 N -2.97 4.27 0.52 12.44 0.04 -1.26 -4.51 135.00 143.54 2cnf s PRO 51 Ca 0.06 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 61.74 2cnf s PRO 51 Cb -0.01 -3.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.39 2cnf s PRO 51 CO -0.01 0.52 1.14 -0.06 0.04 0.00 0.00 177.00 178.63 2cnf s PHE 52 N -1.31 2.72 0.30 0.56 0.08 -1.26 -4.61 117.98 114.46 2cnf s PHE 52 Ca 0.37 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.94 2cnf s PHE 52 Cb -0.19 -3.32 0.45 0.00 -0.57 0.00 0.00 43.02 39.40 2cnf s PHE 52 CO 0.21 -1.56 1.96 -0.44 -0.10 0.00 0.00 175.22 175.29 2cnf h ASP 53 N 1.44 0.95 0.33 1.36 3.32 -1.35 -1.52 116.42 120.94 2cnf h ASP 53 Ca -0.50 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 2cnf h ASP 53 Cb 1.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2cnf h ASP 53 CO 0.58 0.68 -0.26 1.12 -1.72 0.00 0.00 179.24 179.64 2cnf h HIS 54 N 1.11 0.00 -0.06 4.55 2.07 -1.92 -3.20 115.15 117.71 2cnf h HIS 54 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 2cnf h HIS 54 Cb -0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.90 2cnf h HIS 54 CO -0.00 0.26 0.00 -1.13 -3.07 0.00 0.00 177.93 173.99 2cnf n SER 55 N -4.05 2.19 -4.78 3.10 3.41 -1.11 -5.05 113.62 107.33 2cnf n SER 55 Ca -0.02 -2.08 -0.34 0.00 -0.26 0.00 0.00 58.87 56.17 2cnf n SER 55 Cb 0.32 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2cnf n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cnf s ARG 56 N -1.14 3.17 -0.10 4.33 1.70 -0.59 -0.07 118.95 126.24 2cnf s ARG 56 Ca 0.06 1.47 -0.24 0.00 -0.47 0.00 0.00 55.73 56.55 2cnf s ARG 56 Cb 0.04 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 2cnf s ARG 56 CO 0.03 -0.97 0.73 0.42 -1.08 0.00 0.00 175.30 174.42 2cnf s ILE 57 N -2.08 5.01 -0.19 4.99 -1.09 -0.68 -4.77 121.20 122.39 2cnf s ILE 57 Ca 0.69 1.47 -0.12 0.00 -2.23 0.00 0.00 60.65 60.46 2cnf s ILE 57 Cb -0.21 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 2cnf s ILE 57 CO 0.33 0.19 0.24 -0.54 -1.23 0.00 0.00 174.94 173.93 2cnf s LYS 58 N 1.19 4.19 0.49 2.79 1.02 -1.26 -4.28 119.74 123.87 2cnf s LYS 58 Ca 0.37 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.11 2cnf s LYS 58 Cb -0.17 -3.46 -0.08 0.00 -0.52 0.00 0.00 37.83 33.59 2cnf s LYS 58 CO 0.16 0.18 1.04 -0.51 -0.92 0.00 0.00 175.35 175.30 2cnf s LEU 59 N 0.68 3.85 0.00 3.17 1.43 -0.48 -4.95 118.68 122.38 2cnf s LEU 59 Ca 0.13 1.94 0.24 0.00 -1.03 0.00 0.00 54.13 55.40 2cnf s LEU 59 Cb -0.13 -4.55 1.01 0.00 0.03 0.00 0.00 46.19 42.55 2cnf s LEU 59 CO 0.03 -0.79 1.76 1.41 0.23 0.00 0.00 176.35 178.99 2cnf n HIS 60 N -0.95 0.00 -1.11 0.29 8.25 -1.26 -4.62 115.22 115.82 2cnf n HIS 60 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 2cnf n HIS 60 Cb 0.52 -0.50 0.19 0.00 1.12 0.00 0.00 29.99 31.33 2cnf n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2cnf s GLN 61 N -2.99 0.08 -0.20 -0.41 -2.07 -1.26 -5.03 119.66 107.77 2cnf s GLN 61 Ca 0.12 0.45 0.02 0.00 -1.82 0.00 0.00 55.36 54.12 2cnf s GLN 61 Cb 0.15 -1.70 -0.13 0.00 -1.09 0.00 0.00 33.01 30.24 2cnf s GLN 61 CO 0.43 -2.96 -0.18 0.39 -1.32 0.00 0.00 175.29 171.65 2cnf n GLU 62 N -4.32 0.51 -0.23 9.60 -0.58 -1.26 -4.42 120.64 119.95 2cnf n GLU 62 Ca 0.05 0.12 0.03 0.00 -0.42 0.00 0.00 57.16 56.94 2cnf n GLU 62 Cb 0.57 -1.41 0.14 0.00 -0.57 0.00 0.00 31.44 30.18 2cnf n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2cnf h ASP 63 N -0.00 -0.09 -2.03 1.62 3.58 -2.00 -3.41 116.42 114.10 2cnf h ASP 63 Ca -0.46 0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.20 2cnf h ASP 63 Cb 1.71 0.22 -0.21 0.00 1.72 0.00 0.00 39.33 42.77 2cnf h ASP 63 CO -0.07 -0.06 -0.16 0.21 -2.88 0.00 0.00 179.24 176.28 2cnf s ASN 64 N -5.25 -1.06 -0.14 2.28 3.84 -1.26 -5.04 114.94 108.31 2cnf s ASN 64 Ca -0.13 1.49 0.15 0.00 0.21 0.00 0.00 52.86 54.59 2cnf s ASN 64 Cb 0.20 2.20 0.69 0.00 -0.55 0.00 0.00 41.25 43.79 2cnf s ASN 64 CO 0.75 -0.22 1.58 -0.90 -2.79 0.00 0.00 177.10 175.52 2cnf n ASP 65 N 5.44 4.70 -4.74 -4.21 5.68 -1.26 -4.75 116.55 117.41 2cnf n ASP 65 Ca -0.11 -2.55 -0.38 0.00 -0.50 0.00 0.00 54.79 51.25 2cnf n ASP 65 Cb 0.49 -0.59 -0.06 0.00 -1.14 0.00 0.00 41.12 39.82 2cnf n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2cnf s TYR 66 N -2.07 3.55 -0.03 2.11 5.04 -1.26 -1.38 117.35 123.31 2cnf s TYR 66 Ca 0.48 0.91 -0.03 0.00 -2.44 0.00 0.00 57.07 55.98 2cnf s TYR 66 Cb 0.33 -2.51 0.01 0.00 0.35 0.00 0.00 41.96 40.13 2cnf s TYR 66 CO 0.20 0.24 0.09 -1.50 -1.34 0.00 0.00 175.55 173.24 2cnf s ILE 67 N 0.36 -0.00 -1.17 3.14 2.07 -1.26 -4.96 121.20 119.38 2cnf s ILE 67 Ca 0.25 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.29 2cnf s ILE 67 Cb -0.15 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 2cnf s ILE 67 CO 0.11 0.00 1.83 0.21 -1.91 0.00 0.00 174.94 175.18 2cnf s ASN 68 N 0.08 5.73 -0.04 4.50 3.84 -1.26 -4.63 114.94 123.17 2cnf s ASN 68 Ca -0.00 -1.76 -0.15 0.00 0.21 0.00 0.00 52.86 51.16 2cnf s ASN 68 Cb -0.01 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.14 2cnf s ASN 68 CO -0.00 -2.31 0.33 0.00 -2.79 0.00 0.00 177.10 172.33 2cnf s ALA 69 N 8.27 -0.84 0.01 1.71 0.00 -1.26 -3.06 121.76 126.59 2cnf s ALA 69 Ca 0.62 0.48 0.04 0.00 0.00 0.00 0.00 51.96 53.10 2cnf s ALA 69 Cb -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2cnf s ALA 69 CO 0.08 -0.25 -0.12 -1.12 0.00 0.00 0.00 175.76 174.34 2cnf s SER 70 N -1.05 1.46 -0.34 0.00 0.01 -0.26 -1.69 113.70 111.83 2cnf s SER 70 Ca -0.11 -0.33 -0.17 0.00 1.31 0.00 0.00 55.95 56.65 2cnf s SER 70 Cb -0.05 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 2cnf s SER 70 CO 0.04 0.08 0.47 -0.22 0.41 0.00 0.00 173.24 174.02 2cnf s LEU 71 N -0.69 4.34 -0.53 2.44 2.96 0.89 -1.21 118.68 126.89 2cnf s LEU 71 Ca 0.03 -0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 2cnf s LEU 71 Cb -0.06 -2.52 0.12 0.00 0.50 0.00 0.00 46.19 44.23 2cnf s LEU 71 CO 0.00 -0.42 0.49 -0.63 -1.32 0.00 0.00 176.35 174.47 2cnf s ILE 72 N 2.29 5.20 -0.45 6.68 1.09 0.18 -4.88 121.20 131.30 2cnf s ILE 72 Ca 0.17 -1.41 -0.11 0.00 -1.10 0.00 0.00 60.65 58.20 2cnf s ILE 72 Cb -0.16 -4.31 0.09 0.00 -1.06 0.00 0.00 42.46 37.02 2cnf s ILE 72 CO 0.13 -0.83 0.32 -0.75 -0.10 0.00 0.00 174.94 173.71 2cnf s LYS 73 N 1.65 2.71 -0.69 2.79 2.20 -1.26 -1.20 119.74 125.94 2cnf s LYS 73 Ca 0.04 -1.49 -0.21 0.00 -0.36 0.00 0.00 55.97 53.95 2cnf s LYS 73 Cb -0.29 -3.92 0.09 0.00 -1.51 0.00 0.00 37.83 32.19 2cnf s LYS 73 CO 0.04 -1.03 0.94 -1.64 -0.36 0.00 0.00 175.35 173.30 2cnf s MET 74 N 1.48 3.17 0.10 4.03 -1.94 -0.68 -4.94 119.30 120.52 2cnf s MET 74 Ca 0.04 -1.07 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 2cnf s MET 74 Cb -0.24 -4.34 -0.12 0.00 2.01 0.00 0.00 34.83 32.14 2cnf s MET 74 CO 0.03 -1.76 1.62 1.49 -0.01 0.00 0.00 175.02 176.39 2cnf h GLU 75 N 9.39 -0.62 -0.40 2.03 4.81 -1.96 -0.52 114.58 127.30 2cnf h GLU 75 Ca -0.22 0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 2cnf h GLU 75 Cb 1.07 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2cnf h GLU 75 CO 1.16 -0.41 -0.18 1.49 -0.73 0.00 0.00 179.01 180.33 2cnf h GLU 76 N -0.64 0.77 0.00 1.92 4.81 -1.96 -2.52 114.58 116.95 2cnf h GLU 76 Ca -0.01 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2cnf h GLU 76 Cb 0.60 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2cnf h GLU 76 CO -0.08 0.90 0.00 0.00 -0.73 0.00 0.00 179.01 179.10 2cnf h ALA 77 N 1.11 1.00 -4.37 2.92 0.00 -1.91 -3.48 119.26 114.54 2cnf h ALA 77 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.70 2cnf h ALA 77 Cb 0.68 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.56 2cnf h ALA 77 CO 0.05 0.00 -0.51 1.04 0.00 0.00 0.00 179.25 179.83 2cnf n GLN 78 N -2.76 -5.44 -3.84 0.00 6.02 -0.22 -4.88 117.38 106.27 2cnf n GLN 78 Ca 0.02 0.66 -0.12 0.00 -0.01 0.00 0.00 57.00 57.55 2cnf n GLN 78 Cb 0.35 -5.11 -0.12 0.00 1.02 0.00 0.00 30.24 26.38 2cnf n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2cnf s ARG 79 N -5.84 0.24 0.10 -1.09 3.52 -1.11 -4.97 118.95 109.80 2cnf s ARG 79 Ca 0.39 0.03 0.09 0.00 -0.13 0.00 0.00 55.73 56.11 2cnf s ARG 79 Cb -0.17 0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 2cnf s ARG 79 CO 0.48 -0.04 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.58 2cnf s SER 80 N -0.32 3.58 0.02 -2.12 0.01 -1.26 -1.69 113.70 111.93 2cnf s SER 80 Ca -0.04 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.62 2cnf s SER 80 Cb -0.03 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 2cnf s SER 80 CO 0.00 0.20 -0.04 -0.31 0.41 0.00 0.00 173.24 173.51 2cnf s TYR 81 N -1.03 0.34 -0.21 2.43 1.51 -0.34 -4.02 117.35 116.02 2cnf s TYR 81 Ca 0.15 -0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2cnf s TYR 81 Cb -0.10 -0.23 -0.02 0.00 -0.11 0.00 0.00 41.96 41.51 2cnf s TYR 81 CO 0.07 -0.14 -0.02 0.42 -1.11 0.00 0.00 175.55 174.77 2cnf s ILE 82 N -1.25 3.65 -0.14 2.71 1.01 -0.69 0.47 121.20 126.95 2cnf s ILE 82 Ca -0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 2cnf s ILE 82 Cb -0.09 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 2cnf s ILE 82 CO -0.01 0.42 -0.05 -0.76 0.00 0.00 0.00 174.94 174.55 2cnf s LEU 83 N 1.26 3.20 0.15 2.97 1.02 -0.35 -0.18 118.68 126.75 2cnf s LEU 83 Ca 0.03 -0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.04 2cnf s LEU 83 Cb -0.14 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2cnf s LEU 83 CO -0.00 0.20 0.10 0.28 0.02 0.00 0.00 176.35 176.96 2cnf s THR 84 N 0.16 0.07 0.75 5.49 -1.32 -0.77 -1.11 115.64 118.92 2cnf s THR 84 Ca -0.02 -1.87 -0.10 0.00 -1.21 0.00 0.00 61.69 58.49 2cnf s THR 84 Cb -0.14 -2.13 0.06 0.00 -1.51 0.00 0.00 72.50 68.78 2cnf s THR 84 CO 0.03 -0.33 1.11 0.00 -2.21 0.00 0.00 174.62 173.21 2cnf s GLN 85 N -4.06 2.23 0.03 7.08 -2.07 -1.17 -3.35 119.66 118.34 2cnf s GLN 85 Ca 0.27 0.07 -0.30 0.00 -1.82 0.00 0.00 55.36 53.57 2cnf s GLN 85 Cb 0.07 -2.04 -0.06 0.00 -1.09 0.00 0.00 33.01 29.89 2cnf s GLN 85 CO 0.04 -1.36 1.44 0.20 -1.32 0.00 0.00 175.29 174.29 2cnf s GLY 86 N -4.51 1.83 0.44 2.60 0.00 0.11 -4.84 107.32 102.95 2cnf s GLY 86 Ca 0.60 0.97 -0.22 0.00 0.00 0.00 0.00 44.72 46.07 2cnf s GLY 86 CO 0.48 2.54 0.70 -1.05 0.00 0.00 0.00 173.10 175.78 2cnf n PRO 87 N 5.18 0.80 -3.56 2.90 -0.02 -1.26 -4.67 135.00 134.36 2cnf n PRO 87 Ca 0.13 0.29 -0.21 0.00 -2.02 0.00 0.00 63.50 61.69 2cnf n PRO 87 Cb 0.43 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.18 2cnf n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cnf s LEU 88 N 0.78 4.07 0.32 2.45 1.43 -1.26 -1.02 118.68 125.44 2cnf s LEU 88 Ca 0.65 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.97 2cnf s LEU 88 Cb -0.57 -2.99 0.89 0.00 0.03 0.00 0.00 46.19 43.56 2cnf s LEU 88 CO 0.57 -0.30 1.73 -0.65 0.23 0.00 0.00 176.35 177.92 2cnf h PRO 89 N 0.89 0.56 -0.00 1.29 0.11 -1.96 0.11 132.00 133.00 2cnf h PRO 89 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2cnf h PRO 89 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2cnf h PRO 89 CO 0.59 0.37 -0.23 0.27 -0.21 0.00 0.00 178.00 178.79 2cnf n ASN 90 N -4.88 0.69 -0.57 -2.05 6.94 -1.26 -4.05 115.26 110.09 2cnf n ASN 90 Ca 0.27 -0.60 0.06 0.00 -0.02 0.00 0.00 54.58 54.29 2cnf n ASN 90 Cb 0.75 0.05 0.16 0.00 -2.36 0.00 0.00 39.78 38.38 2cnf n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2cnf n THR 91 N -0.94 1.51 -0.07 5.53 -2.24 0.00 -4.65 114.28 113.43 2cnf n THR 91 Ca 0.12 -1.42 -0.10 0.00 -2.27 0.00 0.00 64.05 60.38 2cnf n THR 91 Cb 0.32 0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.78 2cnf n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cnf h GLY 93 N 0.93 1.16 1.00 0.00 0.00 -1.88 -1.87 103.07 102.41 2cnf h GLY 93 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 2cnf h GLY 93 CO 0.08 0.75 0.36 0.45 0.00 0.00 0.00 176.54 178.18 2cnf h HIS 94 N 1.00 0.85 -0.06 5.60 -0.00 -1.80 0.97 115.15 121.69 2cnf h HIS 94 Ca 0.19 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.57 2cnf h HIS 94 Cb 0.50 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 2cnf h HIS 94 CO 0.04 0.60 -0.07 0.35 -0.00 0.00 0.00 177.93 178.84 2cnf h PHE 95 N 0.85 -0.18 0.00 2.45 3.04 -0.83 -0.05 116.94 122.21 2cnf h PHE 95 Ca 0.22 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 2cnf h PHE 95 Cb 0.02 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2cnf h PHE 95 CO -0.01 -0.12 -0.33 -1.49 -2.02 0.00 0.00 178.31 174.34 2cnf h TRP 96 N -0.10 0.00 -0.15 0.41 4.06 -1.10 -1.48 115.95 117.59 2cnf h TRP 96 Ca 0.05 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 2cnf h TRP 96 Cb 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 2cnf h TRP 96 CO -0.17 0.33 0.01 1.49 -3.56 0.00 0.00 178.44 176.54 2cnf h GLU 97 N 0.00 0.26 -0.25 0.49 4.81 -0.23 -0.62 114.58 119.04 2cnf h GLU 97 Ca -0.00 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2cnf h GLU 97 Cb 0.81 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2cnf h GLU 97 CO 0.04 0.47 0.05 1.98 -0.73 0.00 0.00 179.01 180.83 2cnf h MET 98 N 0.01 0.14 -0.55 1.92 4.05 -0.77 0.33 114.93 120.05 2cnf h MET 98 Ca 0.04 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.55 2cnf h MET 98 Cb 0.35 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.05 2cnf h MET 98 CO 0.01 0.09 0.13 0.28 0.23 0.00 0.00 176.91 177.65 2cnf h VAL 99 N 0.14 0.70 0.31 -5.77 2.07 -1.10 0.14 116.25 112.75 2cnf h VAL 99 Ca 0.12 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2cnf h VAL 99 Cb 0.12 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2cnf h VAL 99 CO -0.16 0.05 -0.15 -0.25 0.02 0.00 0.00 177.57 177.08 2cnf h TRP 100 N 0.27 -0.39 -0.40 1.57 2.91 -0.35 -2.13 115.95 117.44 2cnf h TRP 100 Ca 0.28 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.26 2cnf h TRP 100 Cb 0.38 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 2cnf h TRP 100 CO -0.22 -0.08 0.10 0.93 -1.03 0.00 0.00 178.44 178.13 2cnf h GLU 101 N -0.70 0.58 -0.01 2.65 5.08 -0.14 -2.15 114.58 119.89 2cnf h GLU 101 Ca -0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2cnf h GLU 101 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2cnf h GLU 101 CO 0.07 0.53 -0.04 1.04 -1.00 0.00 0.00 179.01 179.62 2cnf n GLN 102 N -4.33 1.29 -2.30 2.33 1.13 0.48 -4.94 117.38 111.04 2cnf n GLN 102 Ca 0.02 -0.58 -0.19 0.00 -1.94 0.00 0.00 57.00 54.31 2cnf n GLN 102 Cb 0.19 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 2cnf n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2cnf n LYS 103 N -0.35 -1.54 -1.98 -1.09 5.02 -0.81 -3.89 118.16 113.52 2cnf n LYS 103 Ca 0.19 0.97 -0.39 0.00 -2.02 0.00 0.00 58.31 57.06 2cnf n LYS 103 Cb 0.28 -5.53 0.01 0.00 -0.02 0.00 0.00 35.03 29.77 2cnf n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2cnf s SER 104 N -2.18 5.88 -0.05 4.39 0.01 -0.86 -1.03 113.70 119.85 2cnf s SER 104 Ca 0.00 2.64 0.17 0.00 1.31 0.00 0.00 55.95 60.07 2cnf s SER 104 Cb 0.00 -2.63 -0.26 0.00 0.21 0.00 0.00 66.02 63.33 2cnf s SER 104 CO 0.00 -1.15 0.33 -1.14 0.41 0.00 0.00 173.24 171.69 2cnf n ARG 105 N -0.45 0.68 -4.13 12.44 3.00 -1.26 -4.84 116.66 122.11 2cnf n ARG 105 Ca 0.07 -0.13 -0.10 0.00 -0.00 0.00 0.00 57.85 57.68 2cnf n ARG 105 Cb 0.45 -1.43 -0.10 0.00 0.00 0.00 0.00 32.46 31.38 2cnf n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2cnf s GLY 106 N -4.25 0.65 -0.07 5.14 0.00 -1.26 -1.69 107.32 105.85 2cnf s GLY 106 Ca -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2cnf s GLY 106 CO 0.73 -1.28 -0.04 0.14 0.00 0.00 0.00 173.10 172.65 2cnf s VAL 107 N -3.16 0.63 -0.27 1.40 1.01 -0.05 -2.16 120.40 117.80 2cnf s VAL 107 Ca 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 2cnf s VAL 107 Cb 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2cnf s VAL 107 CO -0.04 0.27 0.03 -0.69 0.00 0.00 0.00 175.10 174.67 2cnf s VAL 108 N 1.34 3.74 -0.21 2.92 1.01 0.75 -0.91 120.40 129.04 2cnf s VAL 108 Ca -0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2cnf s VAL 108 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2cnf s VAL 108 CO -0.03 0.21 -0.02 -0.32 0.00 0.00 0.00 175.10 174.95 2cnf s MET 109 N 1.49 3.53 -0.01 2.72 0.00 -0.17 -0.59 119.30 126.27 2cnf s MET 109 Ca 0.03 -0.56 0.12 0.00 0.00 0.00 0.00 55.69 55.28 2cnf s MET 109 Cb -0.16 -3.05 0.34 0.00 0.00 0.00 0.00 34.83 31.96 2cnf s MET 109 CO 0.00 -0.06 1.28 1.28 0.00 0.00 0.00 175.02 177.53 2cnf n LEU 110 N 4.43 3.06 -4.56 4.11 4.77 -0.24 -0.76 117.00 127.81 2cnf n LEU 110 Ca -0.17 -2.07 -0.27 0.00 -0.03 0.00 0.00 56.01 53.46 2cnf n LEU 110 Cb 0.51 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 2cnf n LEU 110 CO 0.31 0.74 -0.20 0.54 -1.33 0.00 0.00 177.39 177.44 2cnf s ASN 111 N -1.06 3.04 0.34 -1.43 4.22 -1.25 -4.52 114.94 114.27 2cnf s ASN 111 Ca 0.26 -1.67 0.09 0.00 -2.14 0.00 0.00 52.86 49.40 2cnf s ASN 111 Cb 0.14 0.50 -0.06 0.00 1.28 0.00 0.00 41.25 43.12 2cnf s ASN 111 CO 0.16 -0.92 -0.04 -0.13 -2.04 0.00 0.00 177.10 174.14 2cnf s ARG 112 N -3.74 1.97 0.17 3.55 0.52 -1.26 -4.79 118.95 115.38 2cnf s ARG 112 Ca 0.21 -1.81 -0.13 0.00 -0.52 0.00 0.00 55.73 53.48 2cnf s ARG 112 Cb 0.02 -1.85 0.07 0.00 0.52 0.00 0.00 34.95 33.72 2cnf s ARG 112 CO 0.13 0.15 1.77 0.28 0.02 0.00 0.00 175.30 177.65 2cnf h VAL 113 N 1.91 1.20 -3.58 3.52 2.07 -1.94 -3.41 116.25 116.01 2cnf h VAL 113 Ca -0.42 -0.52 -0.64 0.00 0.82 0.00 0.00 66.70 65.94 2cnf h VAL 113 Cb 1.25 0.50 -0.32 0.00 -1.52 0.00 0.00 31.29 31.19 2cnf h VAL 113 CO 0.68 0.22 -0.87 -0.32 0.02 0.00 0.00 177.57 177.30 2cnf s MET 114 N -5.79 2.56 -0.08 1.57 -2.45 -1.26 -0.71 119.30 113.13 2cnf s MET 114 Ca -0.13 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.52 2cnf s MET 114 Cb 0.13 -2.03 0.03 0.00 1.25 0.00 0.00 34.83 34.21 2cnf s MET 114 CO 0.77 0.21 0.01 -1.21 1.05 0.00 0.00 175.02 175.85 2cnf s GLU 115 N 0.24 0.54 -1.36 4.11 2.02 -0.10 -4.86 118.70 119.28 2cnf s GLU 115 Ca -0.13 0.09 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 2cnf s GLU 115 Cb -0.16 -1.04 -0.00 0.00 0.10 0.00 0.00 34.13 33.04 2cnf s GLU 115 CO 0.06 -0.34 0.52 1.63 0.02 0.00 0.00 175.26 177.15 2cnf n LYS 116 N 5.16 -3.66 -0.96 1.61 5.02 -1.26 -1.63 118.16 122.45 2cnf n LYS 116 Ca -0.07 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2cnf n LYS 116 Cb 0.50 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 2cnf n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cnf n GLY 117 N -1.84 0.50 3.25 0.72 0.00 -1.26 -5.02 105.19 101.53 2cnf n GLY 117 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2cnf n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cnf s SER 118 N -2.25 2.76 0.03 1.61 0.01 -0.64 -5.11 113.70 110.10 2cnf s SER 118 Ca 0.00 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 2cnf s SER 118 Cb 0.00 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 2cnf s SER 118 CO 0.00 0.26 1.15 -0.22 0.41 0.00 0.00 173.24 174.84 2cnf s LEU 119 N -0.36 4.35 0.00 2.44 0.20 -1.26 -0.93 118.68 123.13 2cnf s LEU 119 Ca 0.04 1.90 0.00 0.00 0.69 0.00 0.00 54.13 56.76 2cnf s LEU 119 Cb -0.11 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 2cnf s LEU 119 CO 0.01 -0.44 0.00 0.29 -0.29 0.00 0.00 176.35 175.91 2cnf n LYS 120 N 4.15 4.60 -3.63 1.98 4.76 0.11 -4.96 118.16 125.17 2cnf n LYS 120 Ca 0.09 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.47 2cnf n LYS 120 Cb 0.47 -0.52 -0.06 0.00 -1.84 0.00 0.00 35.03 33.08 2cnf n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cnf s ALA 122 N -0.37 2.97 -1.16 0.00 0.00 -0.19 -4.62 121.76 118.39 2cnf s ALA 122 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 2cnf s ALA 122 Cb -0.03 -3.09 0.08 0.00 0.00 0.00 0.00 23.12 20.08 2cnf s ALA 122 CO -0.08 -0.88 1.55 -1.14 0.00 0.00 0.00 175.76 175.20 2cnf s GLN 123 N -5.19 3.84 0.00 0.00 2.00 -1.26 -4.80 119.66 114.25 2cnf s GLN 123 Ca 0.56 -1.77 0.24 0.00 -2.00 0.00 0.00 55.36 52.38 2cnf s GLN 123 Cb -0.12 -5.36 0.90 0.00 0.80 0.00 0.00 33.01 29.24 2cnf s GLN 123 CO 0.54 -2.13 1.64 2.48 -0.50 0.00 0.00 175.29 177.32 2cnf n TYR 124 N 8.00 0.12 -4.25 1.67 0.18 -1.26 -4.87 117.16 116.75 2cnf n TYR 124 Ca 0.40 -0.06 -0.17 0.00 1.88 0.00 0.00 57.90 59.95 2cnf n TYR 124 Cb 0.47 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.33 2cnf n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2cnf s TRP 125 N -1.88 1.39 0.27 -3.48 -2.14 -1.26 -5.06 118.94 106.77 2cnf s TRP 125 Ca 0.35 -0.60 -0.29 0.00 2.66 0.00 0.00 56.10 58.21 2cnf s TRP 125 Cb 0.19 -0.71 -0.09 0.00 -3.10 0.00 0.00 33.47 29.75 2cnf s TRP 125 CO 0.29 0.15 1.00 -1.25 -2.66 0.00 0.00 176.95 174.47 2cnf s PRO 126 N -2.99 4.73 0.06 3.25 0.04 -1.26 -4.95 135.00 133.89 2cnf s PRO 126 Ca 0.12 1.58 0.23 0.00 0.04 0.00 0.00 61.00 62.97 2cnf s PRO 126 Cb -0.03 -3.18 0.17 0.00 0.04 0.00 0.00 34.50 31.50 2cnf s PRO 126 CO 0.03 0.37 1.14 1.04 0.04 0.00 0.00 177.00 179.62 2cnf n GLN 127 N 1.24 0.24 -4.60 4.56 6.02 -1.26 -4.72 117.38 118.86 2cnf n GLN 127 Ca -0.01 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 2cnf n GLN 127 Cb 0.47 -1.60 -0.16 0.00 1.02 0.00 0.00 30.24 29.97 2cnf n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2cnf s LYS 128 N -3.16 1.44 0.26 -1.09 1.02 -1.26 -5.04 119.74 111.91 2cnf s LYS 128 Ca 0.05 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 2cnf s LYS 128 Cb 0.15 -1.26 0.51 0.00 -0.52 0.00 0.00 37.83 36.70 2cnf s LYS 128 CO 0.77 0.14 1.73 0.93 -0.92 0.00 0.00 175.35 178.00 2cnf h GLU 129 N 6.49 0.45 0.00 1.68 3.07 -1.90 -1.54 114.58 122.83 2cnf h GLU 129 Ca -0.33 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 2cnf h GLU 129 Cb 1.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2cnf h GLU 129 CO 0.48 0.30 0.00 -0.85 -1.40 0.00 0.00 179.01 177.54 2cnf n GLU 130 N -4.99 0.77 -3.55 2.33 0.00 -1.26 -4.21 120.64 109.73 2cnf n GLU 130 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.05 2cnf n GLU 130 Cb 0.46 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.30 2cnf n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cnf n LYS 131 N -1.10 2.04 -1.20 3.44 4.76 -0.58 -5.09 118.16 120.43 2cnf n LYS 131 Ca 0.20 -4.42 -0.30 0.00 -2.87 0.00 0.00 58.31 50.92 2cnf n LYS 131 Cb 0.15 -2.15 0.14 0.00 -1.84 0.00 0.00 35.03 31.33 2cnf n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2cnf s GLU 132 N -1.93 1.29 0.03 1.97 1.03 -1.26 -4.59 118.70 115.24 2cnf s GLU 132 Ca 0.34 0.84 0.05 0.00 0.03 0.00 0.00 54.97 56.24 2cnf s GLU 132 Cb 0.09 -1.81 -0.03 0.00 -0.80 0.00 0.00 34.13 31.57 2cnf s GLU 132 CO -0.08 -2.22 -0.12 -1.64 -1.33 0.00 0.00 175.26 169.87 2cnf s MET 133 N -4.93 2.30 -0.08 -4.83 -1.94 0.37 -4.97 119.30 105.22 2cnf s MET 133 Ca 0.63 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.78 2cnf s MET 133 Cb -0.18 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.32 2cnf s MET 133 CO 0.57 0.57 -0.19 0.42 -0.01 0.00 0.00 175.02 176.37 2cnf s ILE 134 N -0.99 1.66 -0.71 2.53 -1.09 -1.26 0.06 121.20 121.41 2cnf s ILE 134 Ca 0.16 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.75 2cnf s ILE 134 Cb -0.11 -1.46 0.18 0.00 -1.58 0.00 0.00 42.46 39.49 2cnf s ILE 134 CO 0.07 0.47 0.55 -0.36 -1.23 0.00 0.00 174.94 174.45 2cnf s PHE 135 N 0.45 3.55 0.13 3.97 0.08 -0.32 -4.96 117.98 120.88 2cnf s PHE 135 Ca -0.16 -2.72 -0.26 0.00 0.12 0.00 0.00 56.93 53.91 2cnf s PHE 135 Cb -0.17 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 2cnf s PHE 135 CO 0.07 -0.83 1.61 0.93 -0.10 0.00 0.00 175.22 176.89 2cnf h GLU 136 N 6.86 -0.41 -0.98 0.44 5.08 -1.97 0.15 114.58 123.76 2cnf h GLU 136 Ca 0.04 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 58.74 2cnf h GLU 136 Cb 0.93 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.12 2cnf h GLU 136 CO 0.75 -0.27 0.49 0.38 -1.00 0.00 0.00 179.01 179.36 2cnf h ASP 137 N -0.42 0.39 -0.23 1.42 2.03 -1.97 -0.39 116.42 117.24 2cnf h ASP 137 Ca 0.09 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 2cnf h ASP 137 Cb 0.56 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 2cnf h ASP 137 CO -0.34 -0.16 0.00 0.35 -1.03 0.00 0.00 179.24 178.06 2cnf n THR 138 N -5.11 0.34 -3.68 1.15 -2.24 -0.84 -4.99 114.28 98.91 2cnf n THR 138 Ca 0.30 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 2cnf n THR 138 Cb 0.94 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 70.34 2cnf n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2cnf n ASN 139 N 1.19 -5.02 -4.43 3.42 4.05 -0.02 -4.92 115.26 109.53 2cnf n ASN 139 Ca 0.15 -0.64 -0.30 0.00 0.45 0.00 0.00 54.58 54.24 2cnf n ASN 139 Cb 0.52 -4.65 -0.13 0.00 1.23 0.00 0.00 39.78 36.76 2cnf n ASN 139 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2cnf s LEU 140 N -7.14 2.50 -0.07 1.20 1.43 -1.08 -0.86 118.68 114.65 2cnf s LEU 140 Ca 0.49 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2cnf s LEU 140 Cb -0.23 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 2cnf s LEU 140 CO 0.76 0.21 -0.23 -0.75 0.23 0.00 0.00 176.35 176.57 2cnf s LYS 141 N -1.83 2.63 -0.10 1.70 2.20 -0.15 -1.17 119.74 123.01 2cnf s LYS 141 Ca 0.15 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 2cnf s LYS 141 Cb -0.10 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 34.12 2cnf s LYS 141 CO 0.07 0.26 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.98 2cnf s LEU 142 N 0.13 1.78 -0.07 5.43 2.96 0.11 -0.41 118.68 128.60 2cnf s LEU 142 Ca -0.11 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2cnf s LEU 142 Cb -0.15 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.43 2cnf s LEU 142 CO 0.06 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.10 2cnf s THR 143 N 0.87 1.27 -0.33 3.68 2.01 -0.10 -0.48 115.64 122.56 2cnf s THR 143 Ca -0.09 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 2cnf s THR 143 Cb -0.15 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.21 2cnf s THR 143 CO 0.00 0.38 1.37 -0.22 -0.69 0.00 0.00 174.62 175.47 2cnf s LEU 144 N 0.62 3.77 -0.06 4.42 2.96 -1.26 -1.31 118.68 127.82 2cnf s LEU 144 Ca -0.15 1.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 2cnf s LEU 144 Cb -0.16 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 2cnf s LEU 144 CO 0.04 -1.23 0.58 -0.38 -1.32 0.00 0.00 176.35 174.05 2cnf n ILE 145 N 6.54 1.66 0.00 6.68 2.08 -0.34 -4.30 119.36 131.69 2cnf n ILE 145 Ca 0.16 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.71 2cnf n ILE 145 Cb 0.47 -1.24 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 2cnf n ILE 145 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2cnf n SER 146 N -3.17 0.00 -3.72 4.38 3.41 -1.19 -5.00 113.62 108.32 2cnf n SER 146 Ca -0.21 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 2cnf n SER 146 Cb 1.05 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.92 2cnf n SER 146 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2cnf s GLU 147 N -2.00 0.68 -0.36 4.33 -1.05 -1.26 -0.67 118.70 118.37 2cnf s GLU 147 Ca 0.00 0.03 -0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2cnf s GLU 147 Cb 0.00 0.31 0.09 0.00 -0.44 0.00 0.00 34.13 34.09 2cnf s GLU 147 CO 0.00 -0.18 0.10 0.34 0.95 0.00 0.00 175.26 176.47 2cnf s ASP 148 N -0.98 5.00 -0.33 0.83 2.15 0.12 -4.97 116.67 118.49 2cnf s ASP 148 Ca -0.10 -1.86 -0.24 0.00 0.43 0.00 0.00 52.55 50.79 2cnf s ASP 148 Cb -0.04 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 2cnf s ASP 148 CO 0.04 -0.42 0.80 -0.63 -0.17 0.00 0.00 175.17 174.79 2cnf s ILE 149 N 1.10 4.76 0.47 4.11 1.01 -1.26 -1.45 121.20 129.93 2cnf s ILE 149 Ca 0.05 1.09 0.06 0.00 0.00 0.00 0.00 60.65 61.85 2cnf s ILE 149 Cb -0.21 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.15 2cnf s ILE 149 CO -0.05 -0.33 0.54 0.29 0.00 0.00 0.00 174.94 175.39 2cnf n LYS 150 N 6.31 0.73 -0.17 2.79 4.76 0.84 -5.00 118.16 128.42 2cnf n LYS 150 Ca 0.04 -2.67 -0.11 0.00 -2.87 0.00 0.00 58.31 52.70 2cnf n LYS 150 Cb 0.48 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 2cnf n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2cnf h SER 151 N 0.25 1.01 -0.04 4.39 4.64 -1.46 -3.33 113.55 119.01 2cnf h SER 151 Ca -0.25 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2cnf h SER 151 Cb 1.04 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2cnf h SER 151 CO 0.37 1.16 0.00 0.00 -0.87 0.00 0.00 176.83 177.48 2cnf n TYR 152 N -4.15 0.05 -3.47 4.77 4.11 -1.26 -4.97 117.16 112.24 2cnf n TYR 152 Ca 0.00 -0.19 -0.10 0.00 -0.00 0.00 0.00 57.90 57.61 2cnf n TYR 152 Cb 0.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.34 39.73 2cnf n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2cnf s TYR 153 N -0.54 -0.43 -0.01 -3.48 1.13 -1.25 -2.10 117.35 110.67 2cnf s TYR 153 Ca 0.05 0.28 0.04 0.00 -1.41 0.00 0.00 57.07 56.02 2cnf s TYR 153 Cb 0.03 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.42 2cnf s TYR 153 CO 0.04 -0.66 -0.11 0.99 -2.51 0.00 0.00 175.55 173.30 2cnf s THR 154 N -3.29 0.90 -0.15 -3.49 2.01 -0.51 -0.12 115.64 110.99 2cnf s THR 154 Ca 0.03 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2cnf s THR 154 Cb -0.01 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 2cnf s THR 154 CO -0.10 0.25 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.28 2cnf s VAL 155 N -0.27 3.06 0.05 3.82 1.01 -0.53 -1.09 120.40 126.46 2cnf s VAL 155 Ca 0.04 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.47 2cnf s VAL 155 Cb -0.04 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2cnf s VAL 155 CO -0.00 0.51 -0.24 -0.13 0.00 0.00 0.00 175.10 175.23 2cnf s ARG 156 N 0.62 1.83 -0.26 2.72 0.52 0.28 0.14 118.95 124.81 2cnf s ARG 156 Ca -0.07 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 2cnf s ARG 156 Cb -0.15 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 2cnf s ARG 156 CO 0.03 0.51 0.10 -1.14 0.02 0.00 0.00 175.30 174.82 2cnf s GLN 157 N -1.39 3.71 0.19 3.54 0.74 0.15 -0.87 119.66 125.74 2cnf s GLN 157 Ca 0.13 -0.45 0.11 0.00 0.05 0.00 0.00 55.36 55.20 2cnf s GLN 157 Cb -0.10 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2cnf s GLN 157 CO 0.03 -0.19 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.87 2cnf s LEU 158 N 1.65 2.57 -0.15 3.68 1.43 0.21 -1.19 118.68 126.87 2cnf s LEU 158 Ca 0.06 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2cnf s LEU 158 Cb -0.15 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.79 2cnf s LEU 158 CO 0.05 0.12 -0.21 -0.70 0.23 0.00 0.00 176.35 175.84 2cnf s GLU 159 N -2.70 3.01 -0.15 1.70 2.12 -0.43 -0.50 118.70 121.75 2cnf s GLU 159 Ca 0.22 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 2cnf s GLU 159 Cb -0.08 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 2cnf s GLU 159 CO 0.11 -0.07 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.51 2cnf s LEU 160 N 0.96 2.97 -0.08 2.70 2.96 -0.38 -0.92 118.68 126.89 2cnf s LEU 160 Ca -0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2cnf s LEU 160 Cb -0.15 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.86 2cnf s LEU 160 CO -0.05 0.16 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.28 2cnf s GLU 161 N 0.43 2.12 -0.44 1.98 2.12 0.45 -1.57 118.70 123.79 2cnf s GLU 161 Ca -0.07 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.42 2cnf s GLU 161 Cb -0.15 -1.71 0.01 0.00 0.26 0.00 0.00 34.13 32.54 2cnf s GLU 161 CO 0.04 0.04 1.36 1.21 -0.54 0.00 0.00 175.26 177.38 2cnf s ASN 162 N 0.66 6.37 0.08 -1.70 3.84 -0.80 -0.97 114.94 122.42 2cnf s ASN 162 Ca -0.14 0.72 0.13 0.00 0.21 0.00 0.00 52.86 53.79 2cnf s ASN 162 Cb -0.16 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.59 2cnf s ASN 162 CO 0.04 -1.42 1.42 0.18 -2.79 0.00 0.00 177.10 174.52 2cnf n LEU 163 N 8.71 0.18 -0.07 3.21 4.77 -0.04 -1.15 117.00 132.62 2cnf n LEU 163 Ca 0.15 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.52 2cnf n LEU 163 Cb 0.48 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 2cnf n LEU 163 CO 0.71 -0.44 0.02 0.74 -1.33 0.00 0.00 177.39 177.09 2cnf h THR 164 N 0.00 1.45 -0.02 -5.08 2.02 -1.89 -3.38 112.91 106.00 2cnf h THR 164 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2cnf h THR 164 Cb 0.18 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 2cnf h THR 164 CO 0.00 0.54 -0.17 0.35 0.37 0.00 0.00 175.52 176.61 2cnf n THR 165 N -4.46 0.00 -1.08 3.16 -2.24 -1.21 -4.96 114.28 103.49 2cnf n THR 165 Ca -0.18 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.15 2cnf n THR 165 Cb 0.60 1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 70.21 2cnf n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cnf n GLN 166 N 0.79 -1.50 -2.48 -0.78 6.02 -0.30 -4.97 117.38 114.15 2cnf n GLN 166 Ca 0.12 0.50 -0.38 0.00 -0.01 0.00 0.00 57.00 57.22 2cnf n GLN 166 Cb 0.52 -4.68 -0.04 0.00 1.02 0.00 0.00 30.24 27.07 2cnf n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2cnf s GLU 167 N -1.85 4.37 0.15 -1.09 2.12 -1.24 -4.85 118.70 116.30 2cnf s GLU 167 Ca 0.00 1.68 0.09 0.00 0.36 0.00 0.00 54.97 57.10 2cnf s GLU 167 Cb 0.00 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2cnf s GLU 167 CO 0.00 -0.00 -0.21 0.95 -0.54 0.00 0.00 175.26 175.46 2cnf s THR 168 N -1.40 1.92 -0.01 -1.70 -4.23 -1.26 -1.90 115.64 107.05 2cnf s THR 168 Ca 0.52 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2cnf s THR 168 Cb -0.27 -1.81 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 2cnf s THR 168 CO 0.35 -0.16 0.08 -0.13 -0.54 0.00 0.00 174.62 174.23 2cnf s ARG 169 N -2.41 0.31 -0.17 3.99 0.52 -0.61 -4.99 118.95 115.59 2cnf s ARG 169 Ca 0.13 -0.25 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 2cnf s ARG 169 Cb -0.08 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 2cnf s ARG 169 CO 0.06 -0.06 0.56 -2.00 0.02 0.00 0.00 175.30 173.88 2cnf s GLU 170 N -0.87 4.25 -0.10 3.54 2.12 -1.26 -1.25 118.70 125.13 2cnf s GLU 170 Ca -0.10 0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.77 2cnf s GLU 170 Cb -0.06 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 2cnf s GLU 170 CO 0.00 -0.09 -0.13 0.42 -0.54 0.00 0.00 175.26 174.92 2cnf s ILE 171 N 1.42 3.10 -0.18 -3.70 -1.09 0.34 -4.89 121.20 116.20 2cnf s ILE 171 Ca 0.27 -0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 57.90 2cnf s ILE 171 Cb -0.16 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 2cnf s ILE 171 CO 0.11 0.55 0.20 -0.76 -1.23 0.00 0.00 174.94 173.81 2cnf s LEU 172 N -0.08 4.23 -0.30 2.97 1.43 -0.68 -0.62 118.68 125.63 2cnf s LEU 172 Ca -0.02 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2cnf s LEU 172 Cb -0.14 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2cnf s LEU 172 CO 0.04 0.15 0.10 -2.28 0.23 0.00 0.00 176.35 174.58 2cnf s HIS 173 N 0.38 3.15 -0.40 0.29 2.46 -0.05 -0.88 115.29 120.25 2cnf s HIS 173 Ca 0.12 -0.82 -0.09 0.00 0.47 0.00 0.00 55.06 54.73 2cnf s HIS 173 Cb -0.12 -2.28 0.06 0.00 -0.13 0.00 0.00 32.58 30.11 2cnf s HIS 173 CO 0.01 -0.53 0.23 -0.06 -2.47 0.00 0.00 174.74 171.92 2cnf s PHE 174 N 1.54 3.31 -0.33 3.88 0.08 -0.09 -0.56 117.98 125.81 2cnf s PHE 174 Ca 0.03 -1.40 -0.04 0.00 0.12 0.00 0.00 56.93 55.64 2cnf s PHE 174 Cb -0.17 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.55 2cnf s PHE 174 CO 0.04 -0.80 0.08 -1.58 -0.10 0.00 0.00 175.22 172.86 2cnf s HIS 175 N 1.45 3.30 -0.48 0.36 2.46 -0.25 -1.00 115.29 121.13 2cnf s HIS 175 Ca 0.02 -1.73 -0.26 0.00 0.47 0.00 0.00 55.06 53.56 2cnf s HIS 175 Cb -0.22 -2.35 0.03 0.00 -0.13 0.00 0.00 32.58 29.91 2cnf s HIS 175 CO 0.03 -0.79 0.95 -0.47 -2.47 0.00 0.00 174.74 171.99 2cnf s TYR 176 N 1.31 2.88 -2.60 3.88 6.14 0.06 -1.43 117.35 127.59 2cnf s TYR 176 Ca -0.02 0.33 0.24 0.00 0.64 0.00 0.00 57.07 58.26 2cnf s TYR 176 Cb -0.20 -4.04 0.54 0.00 0.42 0.00 0.00 41.96 38.68 2cnf s TYR 176 CO 0.00 -1.18 1.45 0.25 0.64 0.00 0.00 175.55 176.72 2cnf n THR 177 N 6.42 0.20 -1.65 4.34 -2.24 -0.89 -3.85 114.28 116.61 2cnf n THR 177 Ca 0.06 -0.49 0.06 0.00 -2.27 0.00 0.00 64.05 61.40 2cnf n THR 177 Cb 0.48 0.92 0.14 0.00 -2.10 0.00 0.00 70.33 69.77 2cnf n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cnf n THR 178 N 0.96 1.58 -3.57 4.28 -2.24 -1.24 -4.88 114.28 109.17 2cnf n THR 178 Ca 0.17 -2.36 -0.41 0.00 -2.27 0.00 0.00 64.05 59.18 2cnf n THR 178 Cb 0.50 0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 2cnf n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2cnf s TRP 179 N -2.35 3.27 0.44 4.78 -0.11 -1.26 -4.68 118.94 119.02 2cnf s TRP 179 Ca 0.33 -1.09 -0.25 0.00 1.22 0.00 0.00 56.10 56.30 2cnf s TRP 179 Cb 0.32 -2.64 -0.08 0.00 -1.50 0.00 0.00 33.47 29.57 2cnf s TRP 179 CO -0.06 -0.71 1.34 -2.14 -4.62 0.00 0.00 176.95 170.76 2cnf s PRO 180 N 1.53 3.78 0.33 5.86 0.02 -1.26 -4.78 135.00 140.47 2cnf s PRO 180 Ca 0.02 2.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 2cnf s PRO 180 Cb -0.21 -2.65 -0.11 0.00 0.02 0.00 0.00 34.50 31.56 2cnf s PRO 180 CO 0.06 -0.68 1.50 0.34 -0.33 0.00 0.00 177.00 177.89 2cnf s ASP 181 N -0.72 6.44 -2.10 2.53 2.15 -1.26 -0.74 116.67 122.97 2cnf s ASP 181 Ca 0.60 2.93 0.00 0.00 0.43 0.00 0.00 52.55 56.51 2cnf s ASP 181 Cb -0.40 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.58 2cnf s ASP 181 CO 0.50 -0.83 0.00 0.49 -0.17 0.00 0.00 175.17 175.17 2cnf n PHE 182 N 1.30 -0.24 -4.01 -5.34 3.72 -1.26 -4.94 117.46 106.69 2cnf n PHE 182 Ca 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2cnf n PHE 182 Cb 0.39 -3.56 -0.00 0.00 -0.94 0.00 0.00 39.48 35.37 2cnf n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cnf n GLY 183 N -0.52 4.14 3.58 1.37 0.00 0.08 -4.93 105.19 108.92 2cnf n GLY 183 Ca -0.21 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.47 2cnf n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cnf s VAL 184 N -1.29 2.03 0.84 1.61 -7.23 -1.26 -4.80 120.40 110.29 2cnf s VAL 184 Ca 0.00 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 57.99 2cnf s VAL 184 Cb 0.00 -2.86 0.09 0.00 0.56 0.00 0.00 36.38 34.17 2cnf s VAL 184 CO 0.00 -0.07 1.10 -2.84 -0.31 0.00 0.00 175.10 172.98 2cnf s PRO 185 N -3.69 1.76 0.25 4.82 0.02 -1.26 -4.36 135.00 132.54 2cnf s PRO 185 Ca 0.34 0.66 -0.04 0.00 0.02 0.00 0.00 61.00 61.98 2cnf s PRO 185 Cb 0.07 -1.88 0.37 0.00 0.02 0.00 0.00 34.50 33.08 2cnf s PRO 185 CO 0.17 -1.85 1.85 1.49 -0.33 0.00 0.00 177.00 178.33 2cnf h GLU 186 N -1.26 0.97 -3.21 5.54 4.81 -1.98 -3.45 114.58 115.99 2cnf h GLU 186 Ca -0.48 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 2cnf h GLU 186 Cb 1.28 -0.22 -0.12 0.00 0.63 0.00 0.00 28.75 30.32 2cnf h GLU 186 CO 0.58 0.64 0.06 -1.54 -0.73 0.00 0.00 179.01 178.02 2cnf s SER 187 N -5.77 -0.37 0.25 1.04 1.04 -1.26 -5.02 113.70 103.60 2cnf s SER 187 Ca -0.12 -0.23 -0.06 0.00 0.48 0.00 0.00 55.95 56.01 2cnf s SER 187 Cb 0.19 0.55 0.25 0.00 0.10 0.00 0.00 66.02 67.11 2cnf s SER 187 CO 0.80 -0.94 1.92 -0.65 0.98 0.00 0.00 173.24 175.35 2cnf h PRO 188 N 2.18 1.30 -0.84 4.02 0.11 -1.93 -1.97 132.00 134.87 2cnf h PRO 188 Ca -0.33 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 2cnf h PRO 188 Cb 1.28 -0.29 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2cnf h PRO 188 CO 0.41 0.86 0.52 0.00 -0.21 0.00 0.00 178.00 179.59 2cnf h ALA 189 N 1.36 1.07 -0.34 -0.75 0.00 -1.96 0.86 119.26 119.50 2cnf h ALA 189 Ca 0.36 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2cnf h ALA 189 Cb -0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.28 2cnf h ALA 189 CO -0.08 0.52 -0.29 0.66 0.00 0.00 0.00 179.25 180.06 2cnf h SER 190 N 1.15 0.74 -0.07 0.00 4.64 -1.73 -1.11 113.55 117.17 2cnf h SER 190 Ca 0.30 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2cnf h SER 190 Cb -0.07 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2cnf h SER 190 CO -0.06 0.99 -0.02 0.15 -0.87 0.00 0.00 176.83 177.02 2cnf h PHE 191 N 0.62 0.16 -0.28 4.77 3.57 -0.84 -2.62 116.94 122.30 2cnf h PHE 191 Ca 0.07 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2cnf h PHE 191 Cb 0.80 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2cnf h PHE 191 CO 0.04 0.46 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.33 2cnf h LEU 192 N -0.20 0.50 -0.41 0.59 3.38 -0.85 0.14 115.31 118.47 2cnf h LEU 192 Ca 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cnf h LEU 192 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2cnf h LEU 192 CO 0.01 0.70 0.24 -1.13 0.09 0.00 0.00 178.44 178.35 2cnf h ASN 193 N 0.46 0.49 0.11 -0.43 -1.24 -1.19 0.43 115.58 114.21 2cnf h ASN 193 Ca 0.08 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2cnf h ASN 193 Cb 0.58 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.51 2cnf h ASN 193 CO 0.04 0.41 -0.05 0.15 -1.29 0.00 0.00 177.43 176.69 2cnf h PHE 194 N 0.54 -0.13 -0.38 0.67 3.57 -1.01 -2.01 116.94 118.19 2cnf h PHE 194 Ca 0.15 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 2cnf h PHE 194 Cb 0.01 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 2cnf h PHE 194 CO -0.03 0.05 -0.00 1.25 -2.23 0.00 0.00 178.31 177.35 2cnf h LEU 195 N -0.29 -0.16 -1.51 0.59 5.85 -0.53 -1.52 115.31 117.74 2cnf h LEU 195 Ca -0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2cnf h LEU 195 Cb 0.24 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2cnf h LEU 195 CO 0.02 -0.04 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.63 2cnf h PHE 196 N 0.10 0.00 -0.28 1.25 -1.00 -0.85 -0.68 116.94 115.47 2cnf h PHE 196 Ca 0.18 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 2cnf h PHE 196 Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 2cnf h PHE 196 CO -0.26 0.19 0.02 -0.22 -1.61 0.00 0.00 178.31 176.43 2cnf h LYS 197 N 0.00 0.48 -0.39 1.51 1.63 -0.52 0.32 116.57 119.60 2cnf h LYS 197 Ca -0.00 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2cnf h LYS 197 Cb 0.55 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 2cnf h LYS 197 CO 0.02 0.62 0.24 0.28 -3.45 0.00 0.00 179.45 177.17 2cnf h VAL 198 N 0.28 1.12 -0.22 2.00 2.07 -0.74 -2.07 116.25 118.67 2cnf h VAL 198 Ca 0.08 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2cnf h VAL 198 Cb 0.39 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2cnf h VAL 198 CO 0.01 0.12 0.13 0.03 0.02 0.00 0.00 177.57 177.88 2cnf h ARG 199 N 0.51 0.26 0.00 1.57 3.08 -0.84 -2.78 114.38 116.19 2cnf h ARG 199 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2cnf h ARG 199 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2cnf h ARG 199 CO -0.03 0.17 0.00 0.93 -1.07 0.00 0.00 179.97 179.97 2cnf h GLU 200 N 0.27 0.00 0.00 0.04 5.08 -0.11 -2.84 114.58 117.02 2cnf h GLU 200 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2cnf h GLU 200 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2cnf h GLU 200 CO -0.04 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.63 2cnf h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.08 -3.47 113.55 115.06 2cnf h SER 201 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cnf h SER 201 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2cnf h SER 201 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2cnf n GLY 202 N 0.65 1.08 0.09 -0.77 0.00 -1.07 -4.92 105.19 100.25 2cnf n GLY 202 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2cnf n GLY 202 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cnf n SER 203 N 0.00 0.42 -0.60 1.61 7.64 -1.26 -1.83 113.62 119.60 2cnf n SER 203 Ca 0.00 0.63 0.10 0.00 1.01 0.00 0.00 58.87 60.60 2cnf n SER 203 Cb 0.00 -0.71 0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2cnf n SER 203 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cnf n LEU 204 N -1.99 2.20 -4.72 -3.43 4.77 -1.26 -4.33 117.00 108.24 2cnf n LEU 204 Ca 0.02 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.74 2cnf n LEU 204 Cb 0.15 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2cnf n LEU 204 CO 0.14 0.40 0.92 -0.24 -1.33 0.00 0.00 177.39 177.28 2cnf n SER 205 N 0.45 2.51 0.00 -1.43 2.88 -0.76 -4.88 113.62 112.39 2cnf n SER 205 Ca 0.10 1.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.71 2cnf n SER 205 Cb 0.45 -1.54 0.32 0.00 -0.75 0.00 0.00 64.21 62.69 2cnf n SER 205 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2cnf n PRO 206 N -0.72 0.04 0.00 -1.46 -0.04 -1.26 -2.23 135.00 129.33 2cnf n PRO 206 Ca 0.10 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 2cnf n PRO 206 Cb 0.44 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.78 2cnf n PRO 206 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2cnf n GLU 207 N -1.46 0.00 -4.19 0.54 0.28 -1.26 -4.77 120.64 109.78 2cnf n GLU 207 Ca 0.04 0.19 -0.26 0.00 -0.16 0.00 0.00 57.16 56.97 2cnf n GLU 207 Cb 0.16 -1.51 -0.06 0.00 1.43 0.00 0.00 31.44 31.46 2cnf n GLU 207 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2cnf s HIS 208 N -3.01 2.31 1.08 -1.84 3.76 -0.95 -5.13 115.29 111.52 2cnf s HIS 208 Ca 0.09 -0.69 -0.16 0.00 -0.15 0.00 0.00 55.06 54.14 2cnf s HIS 208 Cb 0.12 -1.90 0.23 0.00 1.11 0.00 0.00 32.58 32.14 2cnf s HIS 208 CO 0.33 0.07 1.14 0.20 -0.85 0.00 0.00 174.74 175.63 2cnf s GLY 209 N -3.97 1.60 0.42 -2.22 0.00 -0.20 -4.95 107.32 98.01 2cnf s GLY 209 Ca 0.34 -0.79 -0.25 0.00 0.00 0.00 0.00 44.72 44.02 2cnf s GLY 209 CO 0.19 -0.03 1.30 -4.14 0.00 0.00 0.00 173.10 170.42 2cnf s PRO 210 N -5.36 3.87 0.66 2.90 0.02 -1.26 -4.45 135.00 131.38 2cnf s PRO 210 Ca 0.69 2.13 -0.17 0.00 0.02 0.00 0.00 61.00 63.67 2cnf s PRO 210 Cb -0.12 -2.67 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 2cnf s PRO 210 CO 0.55 -0.57 1.22 0.54 -0.33 0.00 0.00 177.00 178.42 2cnf s VAL 211 N -1.29 2.41 -0.25 3.83 0.11 -1.26 -4.48 120.40 119.48 2cnf s VAL 211 Ca 0.59 0.23 -0.08 0.00 -2.93 0.00 0.00 61.98 59.80 2cnf s VAL 211 Cb -0.37 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 2cnf s VAL 211 CO 0.48 -0.08 0.09 -0.69 -3.33 0.00 0.00 175.10 171.56 2cnf s VAL 212 N -1.73 4.48 -0.10 2.04 1.01 -0.92 -1.71 120.40 123.49 2cnf s VAL 212 Ca 0.77 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2cnf s VAL 212 Cb -0.31 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2cnf s VAL 212 CO 0.39 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.98 2cnf s VAL 213 N 1.55 2.81 0.08 2.92 1.01 0.75 -0.18 120.40 129.33 2cnf s VAL 213 Ca 0.06 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2cnf s VAL 213 Cb -0.15 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2cnf s VAL 213 CO 0.05 0.55 0.40 -1.38 0.00 0.00 0.00 175.10 174.72 2cnf s HIS 214 N -0.01 -0.23 0.00 5.22 -3.43 0.25 -1.84 115.29 115.25 2cnf s HIS 214 Ca -0.05 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2cnf s HIS 214 Cb -0.14 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.23 2cnf s HIS 214 CO 0.04 -0.62 0.00 0.00 -2.00 0.00 0.00 174.74 172.16 2cnf h SER 216 N 0.00 0.02 0.00 0.00 0.87 -1.90 -2.87 113.55 109.67 2cnf h SER 216 Ca 0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2cnf h SER 216 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2cnf h SER 216 CO 0.00 1.31 -1.33 0.00 -0.53 0.00 0.00 176.83 176.28 2cnf n ALA 217 N -3.09 4.07 -2.12 6.23 0.00 -1.26 -0.71 120.51 123.63 2cnf n ALA 217 Ca -0.23 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 2cnf n ALA 217 Cb 0.62 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.31 2cnf n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cnf n GLY 218 N 1.42 0.23 0.38 0.00 0.00 -1.21 -4.06 105.19 101.95 2cnf n GLY 218 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2cnf n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cnf n ILE 219 N -3.94 0.00 0.00 -0.61 -5.35 -1.26 -4.49 119.36 103.71 2cnf n ILE 219 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2cnf n ILE 219 Cb 0.54 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 2cnf n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cnf n GLY 220 N 1.82 0.27 0.30 3.28 0.00 -1.26 -1.44 105.19 108.17 2cnf n GLY 220 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2cnf n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cnf h ARG 221 N 0.00 1.04 -0.87 1.61 3.08 -1.95 -2.42 114.38 114.87 2cnf h ARG 221 Ca 0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2cnf h ARG 221 Cb 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 2cnf h ARG 221 CO 0.00 0.75 0.48 0.77 -1.07 0.00 0.00 179.97 180.90 2cnf h SER 222 N 1.04 1.08 -0.81 7.04 0.02 -1.89 -2.27 113.55 117.77 2cnf h SER 222 Ca 0.27 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2cnf h SER 222 Cb -0.01 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 2cnf h SER 222 CO -0.05 0.87 0.46 1.23 -1.14 0.00 0.00 176.83 178.19 2cnf h GLY 223 N 1.23 1.20 0.87 -3.77 0.00 -0.93 -2.14 103.07 99.53 2cnf h GLY 223 Ca 0.31 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2cnf h GLY 223 CO -0.05 0.51 0.07 -0.84 0.00 0.00 0.00 176.54 176.23 2cnf h THR 224 N 1.12 1.20 -0.47 4.70 2.02 -1.09 0.45 112.91 120.84 2cnf h THR 224 Ca 0.29 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.86 2cnf h THR 224 Cb 0.01 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2cnf h THR 224 CO -0.05 0.20 0.27 0.15 0.37 0.00 0.00 175.52 176.47 2cnf h PHE 225 N 0.19 0.51 -0.16 3.16 3.57 -1.30 -2.18 116.94 120.74 2cnf h PHE 225 Ca 0.07 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 2cnf h PHE 225 Cb 0.25 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2cnf h PHE 225 CO 0.01 0.29 -0.44 0.00 -2.23 0.00 0.00 178.31 175.94 2cnf h LEU 227 N 0.22 0.48 -0.15 0.00 5.85 -0.86 -0.02 115.31 120.84 2cnf h LEU 227 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2cnf h LEU 227 Cb 1.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2cnf h LEU 227 CO 0.09 0.32 0.05 0.00 -0.34 0.00 0.00 178.44 178.56 2cnf h ALA 228 N 1.33 0.19 -0.74 1.25 0.00 -1.40 -0.31 119.26 119.59 2cnf h ALA 228 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2cnf h ALA 228 Cb 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2cnf h ALA 228 CO -0.18 -0.19 0.46 0.22 0.00 0.00 0.00 179.25 179.56 2cnf h ASP 229 N 0.06 0.75 -0.43 0.00 3.58 -1.17 -1.89 116.42 117.31 2cnf h ASP 229 Ca 0.05 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 2cnf h ASP 229 Cb 0.22 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2cnf h ASP 229 CO -0.00 0.51 -0.19 0.74 -2.88 0.00 0.00 179.24 177.42 2cnf h THR 230 N 0.89 1.28 -0.81 2.25 2.02 -0.82 -1.72 112.91 116.00 2cnf h THR 230 Ca 0.30 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 2cnf h THR 230 Cb 0.05 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2cnf h THR 230 CO -0.12 0.45 0.34 0.00 0.37 0.00 0.00 175.52 176.57 2cnf h LEU 232 N 1.18 0.12 -0.44 0.00 3.38 -1.24 -1.02 115.31 117.29 2cnf h LEU 232 Ca 0.27 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2cnf h LEU 232 Cb 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2cnf h LEU 232 CO -0.03 0.54 -0.18 0.25 0.09 0.00 0.00 178.44 179.12 2cnf h LEU 233 N 0.10 0.92 -0.67 1.67 5.85 -0.86 -2.71 115.31 119.61 2cnf h LEU 233 Ca 0.01 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 2cnf h LEU 233 Cb 0.80 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2cnf h LEU 233 CO 0.06 1.10 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.93 2cnf h LEU 234 N 0.73 0.77 -1.29 2.25 3.38 -0.89 -2.26 115.31 118.00 2cnf h LEU 234 Ca 0.10 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2cnf h LEU 234 Cb 0.74 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2cnf h LEU 234 CO 0.06 1.00 -0.33 0.24 0.09 0.00 0.00 178.44 179.49 2cnf h MET 235 N 0.65 0.00 0.00 1.13 2.86 -1.17 -2.12 114.93 116.27 2cnf h MET 235 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2cnf h MET 235 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2cnf h MET 235 CO 0.06 0.33 -0.54 0.22 1.06 0.00 0.00 176.91 178.04 2cnf h ASP 236 N 0.00 0.00 0.10 1.22 3.58 -1.19 -3.38 116.42 116.75 2cnf h ASP 236 Ca -0.00 -0.03 -0.36 0.00 0.42 0.00 0.00 57.03 57.06 2cnf h ASP 236 Cb 0.67 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.66 2cnf h ASP 236 CO 0.04 0.01 -2.25 1.17 -2.88 0.00 0.00 179.24 175.34 2cnf n LYS 237 N -2.74 0.68 -1.66 0.28 4.81 -0.88 -5.01 118.16 113.64 2cnf n LYS 237 Ca 0.02 0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.26 2cnf n LYS 237 Cb 0.52 -1.58 0.11 0.00 0.02 0.00 0.00 35.03 34.10 2cnf n LYS 237 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2cnf s ARG 238 N -2.52 1.54 0.02 1.64 0.52 -0.81 -4.99 118.95 114.34 2cnf s ARG 238 Ca -0.13 0.27 -0.19 0.00 -0.52 0.00 0.00 55.73 55.15 2cnf s ARG 238 Cb 0.07 -1.89 -0.21 0.00 0.52 0.00 0.00 34.95 33.44 2cnf s ARG 238 CO 0.79 -1.92 1.15 0.87 0.02 0.00 0.00 175.30 176.22 2cnf h LYS 239 N -1.30 0.44 -4.71 3.54 1.79 -1.91 -3.41 116.57 111.01 2cnf h LYS 239 Ca -0.49 -0.42 -0.67 0.00 -2.18 0.00 0.00 60.65 56.90 2cnf h LYS 239 Cb 1.32 0.10 -0.37 0.00 -1.58 0.00 0.00 32.23 31.70 2cnf h LYS 239 CO 0.63 1.07 -0.71 0.34 -1.08 0.00 0.00 179.45 179.70 2cnf s ASP 240 N -6.68 4.79 0.02 0.86 2.15 -1.26 -4.98 116.67 111.56 2cnf s ASP 240 Ca -0.13 -1.84 0.06 0.00 0.43 0.00 0.00 52.55 51.07 2cnf s ASP 240 Cb 0.04 -1.65 0.26 0.00 -0.30 0.00 0.00 42.92 41.27 2cnf s ASP 240 CO 0.82 -0.34 1.18 -0.81 -0.17 0.00 0.00 175.17 175.85 2cnf n PRO 241 N 4.40 0.01 0.00 4.34 -0.04 -1.26 -1.40 135.00 141.05 2cnf n PRO 241 Ca -0.04 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2cnf n PRO 241 Cb 0.42 -1.52 0.58 0.00 -0.04 0.00 0.00 33.50 32.93 2cnf n PRO 241 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cnf n SER 242 N -1.54 0.54 -0.00 3.54 3.41 -1.26 -3.40 113.62 114.91 2cnf n SER 242 Ca 0.01 -0.60 0.14 0.00 -0.26 0.00 0.00 58.87 58.16 2cnf n SER 242 Cb 0.06 -0.05 0.55 0.00 -0.26 0.00 0.00 64.21 64.51 2cnf n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cnf n SER 243 N -0.92 0.11 -4.64 4.04 3.41 -0.49 -4.70 113.62 110.42 2cnf n SER 243 Ca 0.14 0.33 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 2cnf n SER 243 Cb 0.29 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2cnf n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2cnf s VAL 244 N -2.99 3.79 -0.70 -3.33 1.01 -1.22 -4.98 120.40 111.99 2cnf s VAL 244 Ca 0.14 0.92 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 2cnf s VAL 244 Cb 0.19 -3.73 0.18 0.00 0.00 0.00 0.00 36.38 33.02 2cnf s VAL 244 CO 0.56 -0.23 0.57 -0.62 0.00 0.00 0.00 175.10 175.39 2cnf s ASP 245 N 3.56 5.89 0.39 3.32 -1.08 -1.26 -4.93 116.67 122.55 2cnf s ASP 245 Ca 0.68 -2.75 0.21 0.00 -0.52 0.00 0.00 52.55 50.17 2cnf s ASP 245 Cb -0.26 -2.01 1.22 0.00 -1.46 0.00 0.00 42.92 40.41 2cnf s ASP 245 CO 0.26 -0.47 1.67 -0.29 0.52 0.00 0.00 175.17 176.86 2cnf h ILE 246 N 5.11 0.27 -0.54 4.11 2.10 -1.98 0.18 117.51 126.75 2cnf h ILE 246 Ca 0.02 -0.08 -0.04 0.00 1.08 0.00 0.00 64.86 65.84 2cnf h ILE 246 Cb 0.99 0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.71 2cnf h ILE 246 CO 0.74 0.04 0.17 0.11 -1.08 0.00 0.00 178.15 178.13 2cnf h LYS 247 N 0.24 0.84 -0.62 2.19 1.57 -1.99 0.12 116.57 118.92 2cnf h LYS 247 Ca 0.74 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 59.26 2cnf h LYS 247 Cb 1.97 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.13 2cnf h LYS 247 CO -0.49 0.77 0.07 0.87 -0.57 0.00 0.00 179.45 180.09 2cnf h LYS 248 N 0.74 1.04 -0.46 3.15 1.57 -1.13 -1.39 116.57 120.08 2cnf h LYS 248 Ca 0.17 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2cnf h LYS 248 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2cnf h LYS 248 CO -0.01 0.97 0.12 0.28 -0.57 0.00 0.00 179.45 180.25 2cnf h VAL 249 N 0.97 1.23 -0.60 0.50 2.07 -0.89 -1.33 116.25 118.20 2cnf h VAL 249 Ca 0.19 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2cnf h VAL 249 Cb 0.46 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2cnf h VAL 249 CO 0.02 0.29 0.34 0.25 0.02 0.00 0.00 177.57 178.49 2cnf h LEU 250 N 0.62 0.73 -1.07 2.57 5.85 -0.53 -0.30 115.31 123.18 2cnf h LEU 250 Ca 0.15 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2cnf h LEU 250 Cb 0.32 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2cnf h LEU 250 CO 0.00 0.60 0.13 -0.07 -0.34 0.00 0.00 178.44 178.76 2cnf h LEU 251 N 0.81 0.74 -0.28 2.25 3.38 -1.05 0.11 115.31 121.28 2cnf h LEU 251 Ca 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2cnf h LEU 251 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2cnf h LEU 251 CO -0.04 0.73 0.08 -0.08 0.09 0.00 0.00 178.44 179.22 2cnf h GLU 252 N 0.77 0.43 -0.66 1.13 4.57 -0.78 -2.43 114.58 117.61 2cnf h GLU 252 Ca 0.17 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2cnf h GLU 252 Cb 0.28 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2cnf h GLU 252 CO -0.00 0.50 0.31 0.52 -1.18 0.00 0.00 179.01 179.16 2cnf h MET 253 N 0.28 0.94 0.00 1.92 2.86 -0.57 -1.56 114.93 118.80 2cnf h MET 253 Ca 0.09 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2cnf h MET 253 Cb 0.25 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2cnf h MET 253 CO -0.00 0.73 0.00 0.54 1.06 0.00 0.00 176.91 179.24 2cnf n ARG 254 N -4.34 0.14 0.21 1.72 1.74 0.36 -1.29 116.66 115.20 2cnf n ARG 254 Ca 0.06 0.20 0.10 0.00 -0.77 0.00 0.00 57.85 57.44 2cnf n ARG 254 Cb 0.14 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.40 2cnf n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2cnf h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -0.99 -3.33 116.57 119.38 2cnf h LYS 255 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2cnf h LYS 255 Cb 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 2cnf h LYS 255 CO 0.00 0.20 -2.22 1.19 -0.57 0.00 0.00 179.45 178.05 2cnf n PHE 256 N -3.23 0.24 -3.72 -1.35 3.72 -0.41 -4.97 117.46 107.73 2cnf n PHE 256 Ca 0.02 0.09 -0.13 0.00 -0.05 0.00 0.00 57.45 57.37 2cnf n PHE 256 Cb 0.50 -1.04 -0.10 0.00 -0.94 0.00 0.00 39.48 37.91 2cnf n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2cnf s ARG 257 N -2.53 0.51 0.45 -1.08 3.52 -1.18 -4.46 118.95 114.18 2cnf s ARG 257 Ca -0.09 0.61 -0.22 0.00 -0.13 0.00 0.00 55.73 55.91 2cnf s ARG 257 Cb 0.07 0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.61 2cnf s ARG 257 CO 0.83 -0.06 1.07 0.00 -0.81 0.00 0.00 175.30 176.32 2cnf s MET 258 N 0.27 3.92 -0.92 5.12 0.23 -1.26 -4.21 119.30 122.45 2cnf s MET 258 Ca -0.00 1.50 0.00 0.00 -1.03 0.00 0.00 55.69 56.16 2cnf s MET 258 Cb -0.03 -2.33 0.00 0.00 -1.53 0.00 0.00 34.83 30.94 2cnf s MET 258 CO 0.00 -0.35 0.00 0.41 -2.03 0.00 0.00 175.02 173.05 2cnf n GLY 259 N 0.14 1.00 3.67 3.16 0.00 -1.26 -4.87 105.19 107.03 2cnf n GLY 259 Ca 0.07 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2cnf n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cnf s LEU 260 N -1.97 4.42 0.00 0.99 1.43 -1.26 -4.01 118.68 118.28 2cnf s LEU 260 Ca 0.00 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 2cnf s LEU 260 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2cnf s LEU 260 CO 0.00 -1.03 0.00 -0.38 0.23 0.00 0.00 176.35 175.17 2cnf n ILE 261 N 5.21 -1.85 0.98 -0.59 2.08 -0.52 -4.96 119.36 119.70 2cnf n ILE 261 Ca 0.19 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.61 2cnf n ILE 261 Cb 0.40 -2.47 0.13 0.00 -0.75 0.00 0.00 39.64 36.96 2cnf n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2cnf n GLN 262 N 0.50 0.02 -3.90 0.38 1.13 -1.26 -4.91 117.38 109.34 2cnf n GLN 262 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2cnf n GLN 262 Cb 0.00 -1.51 -0.08 0.00 0.11 0.00 0.00 30.24 28.76 2cnf n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2cnf s THR 263 N -3.01 0.14 0.32 5.09 -4.23 -1.26 -5.04 115.64 107.65 2cnf s THR 263 Ca 0.10 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2cnf s THR 263 Cb 0.17 -1.15 0.27 0.00 1.34 0.00 0.00 72.50 73.14 2cnf s THR 263 CO 0.75 -0.64 1.96 0.00 -0.54 0.00 0.00 174.62 176.15 2cnf h ALA 264 N 3.20 1.52 0.00 3.99 0.00 -1.93 -1.31 119.26 124.73 2cnf h ALA 264 Ca -0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2cnf h ALA 264 Cb 1.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2cnf h ALA 264 CO 0.54 0.40 -0.23 0.22 0.00 0.00 0.00 179.25 180.18 2cnf h ASP 265 N 0.97 0.00 0.23 0.00 3.58 -1.96 -0.80 116.42 118.44 2cnf h ASP 265 Ca 0.31 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.58 2cnf h ASP 265 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2cnf h ASP 265 CO -0.09 0.23 -0.71 1.56 -2.88 0.00 0.00 179.24 177.35 2cnf h GLN 266 N 0.00 0.42 -0.08 0.28 4.20 -1.58 -0.07 115.11 118.28 2cnf h GLN 266 Ca -0.00 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 2cnf h GLN 266 Cb 0.54 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 2cnf h GLN 266 CO 0.03 0.97 0.03 1.25 -0.67 0.00 0.00 178.83 180.44 2cnf h LEU 267 N 0.29 0.11 -0.72 1.46 5.85 -1.00 -1.33 115.31 119.97 2cnf h LEU 267 Ca -0.03 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2cnf h LEU 267 Cb 1.28 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 2cnf h LEU 267 CO 0.12 0.25 0.47 -0.09 -0.34 0.00 0.00 178.44 178.85 2cnf h ARG 268 N -0.04 0.90 -0.99 1.25 2.43 -1.06 -1.42 114.38 115.45 2cnf h ARG 268 Ca 0.03 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2cnf h ARG 268 Cb 0.18 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2cnf h ARG 268 CO -0.00 0.60 0.65 0.35 -1.51 0.00 0.00 179.97 180.06 2cnf h PHE 269 N 0.93 1.23 -0.59 2.20 3.57 -0.80 -1.83 116.94 121.66 2cnf h PHE 269 Ca 0.28 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.87 2cnf h PHE 269 Cb -0.05 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 38.23 2cnf h PHE 269 CO -0.03 0.74 0.30 0.77 -2.23 0.00 0.00 178.31 177.85 2cnf h SER 270 N 1.29 0.42 0.03 0.41 0.02 -0.18 0.27 113.55 115.81 2cnf h SER 270 Ca 0.38 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 2cnf h SER 270 Cb -0.06 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 2cnf h SER 270 CO -0.11 0.28 -0.22 1.88 -1.14 0.00 0.00 176.83 177.52 2cnf h TYR 271 N 0.56 -0.59 -0.75 3.45 -1.99 -0.76 -0.86 116.97 116.03 2cnf h TYR 271 Ca 0.27 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.07 2cnf h TYR 271 Cb 0.19 0.26 -0.05 0.00 2.00 0.00 0.00 36.73 39.13 2cnf h TYR 271 CO -0.10 -0.31 0.45 -0.07 -0.00 0.00 0.00 178.16 178.13 2cnf h LEU 272 N -0.37 0.70 -0.52 3.88 3.38 -0.67 0.11 115.31 121.82 2cnf h LEU 272 Ca 0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2cnf h LEU 272 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2cnf h LEU 272 CO -0.18 0.46 0.10 0.00 0.09 0.00 0.00 178.44 178.92 2cnf h ALA 273 N 1.35 0.69 -0.24 1.53 0.00 -0.17 -1.50 119.26 120.91 2cnf h ALA 273 Ca 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2cnf h ALA 273 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2cnf h ALA 273 CO -0.16 0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.68 2cnf h VAL 274 N 0.73 1.30 -0.70 0.00 2.07 -0.77 -0.22 116.25 118.65 2cnf h VAL 274 Ca 0.16 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2cnf h VAL 274 Cb 0.37 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2cnf h VAL 274 CO 0.01 0.36 0.42 0.40 0.02 0.00 0.00 177.57 178.77 2cnf h ILE 275 N 0.22 1.20 -0.09 4.57 2.04 -0.71 -0.22 117.51 124.52 2cnf h ILE 275 Ca 0.06 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 2cnf h ILE 275 Cb 0.58 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2cnf h ILE 275 CO 0.03 0.21 -0.32 -0.08 0.00 0.00 0.00 178.15 177.99 2cnf h GLU 276 N 0.97 0.37 0.00 2.37 4.57 -1.17 -3.15 114.58 118.54 2cnf h GLU 276 Ca 0.25 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2cnf h GLU 276 Cb -0.03 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2cnf h GLU 276 CO -0.05 0.91 -0.04 0.78 -1.18 0.00 0.00 179.01 179.43 2cnf h GLY 277 N -0.09 0.00 2.00 1.92 0.00 -0.78 -2.14 103.07 103.98 2cnf h GLY 277 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2cnf h GLY 277 CO 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.52 2cnf h ALA 278 N 1.96 1.53 0.00 3.60 0.00 -0.99 -1.95 119.26 123.41 2cnf h ALA 278 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2cnf h ALA 278 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2cnf h ALA 278 CO 0.01 0.10 -0.19 0.87 0.00 0.00 0.00 179.25 180.04 2cnf h LYS 279 N 0.00 0.00 0.05 0.00 1.57 -1.52 -0.13 116.57 116.54 2cnf h LYS 279 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2cnf h LYS 279 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2cnf h LYS 279 CO 0.01 0.19 -1.05 0.35 -0.57 0.00 0.00 179.45 178.38 2cnf h PHE 280 N 0.00 0.29 -0.20 -1.35 3.04 -1.53 -1.88 116.94 115.31 2cnf h PHE 280 Ca -0.00 -0.20 -0.11 0.00 3.98 0.00 0.00 57.97 61.65 2cnf h PHE 280 Cb 0.34 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 2cnf h PHE 280 CO 0.00 1.10 -0.29 0.82 -2.02 0.00 0.00 178.31 177.92 2cnf h ILE 281 N 0.07 1.33 0.00 1.41 1.08 -1.30 -3.10 117.51 116.99 2cnf h ILE 281 Ca -0.07 -1.49 0.00 0.00 -0.39 0.00 0.00 64.86 62.91 2cnf h ILE 281 Cb 1.76 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 2cnf h ILE 281 CO 0.16 0.46 0.00 0.23 -0.69 0.00 0.00 178.15 178.31 2cnf n MET 282 N -4.35 0.57 0.00 2.37 2.81 -0.13 -4.80 117.12 113.60 2cnf n MET 282 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2cnf n MET 282 Cb 0.46 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 2cnf n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cnf n GLY 283 N 0.13 0.55 3.56 3.03 0.00 -1.17 -5.04 105.19 106.23 2cnf n GLY 283 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2cnf n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cnf s ASP 284 N -2.27 5.94 0.00 1.61 -1.08 -0.71 -4.83 116.67 115.33 2cnf s ASP 284 Ca 0.00 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 2cnf s ASP 284 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2cnf s ASP 284 CO 0.00 -1.99 0.42 -0.24 0.52 0.00 0.00 175.17 173.88 2cnf n SER 285 N 10.66 0.77 0.00 -0.34 2.88 -1.26 -3.30 113.62 123.03 2cnf n SER 285 Ca 0.24 -1.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 2cnf n SER 285 Cb 0.50 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2cnf n SER 285 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cnf n SER 286 N 0.07 3.69 -0.03 -3.46 3.41 -1.26 -4.79 113.62 111.26 2cnf n SER 286 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2cnf n SER 286 Cb 0.19 0.65 0.51 0.00 -0.26 0.00 0.00 64.21 65.30 2cnf n SER 286 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2cnf h VAL 287 N 0.00 0.95 -0.16 -3.33 -1.51 -1.92 -2.65 116.25 107.63 2cnf h VAL 287 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2cnf h VAL 287 Cb 0.18 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 2cnf h VAL 287 CO 0.00 0.07 0.10 -0.61 -1.23 0.00 0.00 177.57 175.90 2cnf h GLN 288 N 0.38 0.21 -0.36 5.19 4.15 -1.87 0.05 115.11 122.87 2cnf h GLN 288 Ca 0.22 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 2cnf h GLN 288 Cb 0.37 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2cnf h GLN 288 CO -0.05 0.14 -0.08 -0.44 -1.93 0.00 0.00 178.83 176.46 2cnf h ASP 289 N 0.22 0.58 -0.57 -0.69 3.32 -1.82 -2.23 116.42 115.23 2cnf h ASP 289 Ca 0.06 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2cnf h ASP 289 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2cnf h ASP 289 CO -0.02 0.71 0.24 -0.61 -1.72 0.00 0.00 179.24 177.84 2cnf h GLN 290 N 0.56 0.85 -0.66 3.56 4.15 -1.11 -0.41 115.11 122.05 2cnf h GLN 290 Ca 0.11 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 2cnf h GLN 290 Cb 0.48 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2cnf h GLN 290 CO 0.03 0.73 0.21 -1.49 -1.93 0.00 0.00 178.83 176.37 2cnf h TRP 291 N 0.78 1.04 -0.03 3.99 6.55 -0.73 0.11 115.95 127.66 2cnf h TRP 291 Ca 0.19 -0.09 -0.00 0.00 0.95 0.00 0.00 58.89 59.94 2cnf h TRP 291 Cb 0.19 -0.30 -0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2cnf h TRP 291 CO 0.01 0.82 0.01 -0.22 -1.05 0.00 0.00 178.44 178.02 2cnf h LYS 292 N 0.98 0.04 -0.05 0.49 3.64 -0.84 0.08 116.57 120.90 2cnf h LYS 292 Ca 0.22 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2cnf h LYS 292 Cb 0.27 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2cnf h LYS 292 CO -0.01 0.10 0.03 0.93 -2.27 0.00 0.00 179.45 178.23 2cnf h GLU 293 N -0.04 0.06 0.00 1.90 4.39 -0.68 -2.85 114.58 117.36 2cnf h GLU 293 Ca 0.01 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2cnf h GLU 293 Cb 0.08 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2cnf h GLU 293 CO -0.00 0.04 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.61 2cnf h LEU 294 N 0.06 0.00 -0.84 1.33 3.38 -0.73 -2.31 115.31 116.21 2cnf h LEU 294 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2cnf h LEU 294 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2cnf h LEU 294 CO -0.01 0.21 0.00 0.77 0.09 0.00 0.00 178.44 179.50 2cnf h SER 295 N 0.00 0.00 -6.11 -0.43 4.64 -0.73 -3.47 113.55 107.45 2cnf h SER 295 Ca -0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2cnf h SER 295 Cb 0.48 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.65 2cnf h SER 295 CO 0.03 0.00 -0.90 1.57 -0.87 0.00 0.00 176.83 176.66 2cnf n HIS 296 N -2.70 -1.96 0.56 4.77 -0.00 -0.87 -4.89 115.22 110.13 2cnf n HIS 296 Ca 0.02 0.63 0.13 0.00 0.46 0.00 0.00 57.72 58.96 2cnf n HIS 296 Cb 0.32 -3.79 0.44 0.00 -0.12 0.00 0.00 29.99 26.84 2cnf n HIS 296 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2cnf n GLU 297 N -4.09 0.23 0.00 1.57 0.28 -1.26 -4.68 120.64 112.69 2cnf n GLU 297 Ca -0.16 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2cnf n GLU 297 Cb 0.63 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.68 2cnf n GLU 297 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2cnf n ASP 298 N -2.22 0.00 0.00 -1.84 9.92 -1.26 -1.45 116.55 119.69 2cnf n ASP 298 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2cnf n ASP 298 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 2cnf n ASP 298 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22