#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eax n MET 3 N 0.00 0.59 0.12 3.44 0.00 -1.26 -3.99 117.12 116.01 3eax n MET 3 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 57.70 57.57 3eax n MET 3 Cb 0.00 -1.57 0.29 0.00 0.00 0.00 0.00 33.22 31.94 3eax n MET 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3eax h GLU 4 N 0.00 0.19 -0.24 3.17 4.81 -1.98 0.48 114.58 121.01 3eax h GLU 4 Ca 0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3eax h GLU 4 Cb 0.95 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 3eax h GLU 4 CO 0.00 0.51 -0.20 0.87 -0.73 0.00 0.00 179.01 179.46 3eax h LYS 5 N 0.16 0.56 -0.75 1.92 1.57 -1.99 -0.00 116.57 118.03 3eax h LYS 5 Ca 0.02 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 3eax h LYS 5 Cb 0.69 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3eax h LYS 5 CO 0.05 0.86 0.25 1.49 -0.57 0.00 0.00 179.45 181.54 3eax h GLU 6 N 0.26 1.16 0.03 3.15 4.81 -1.56 -0.16 114.58 122.27 3eax h GLU 6 Ca 0.04 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3eax h GLU 6 Cb 0.74 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3eax h GLU 6 CO 0.05 0.97 -0.01 0.35 -0.73 0.00 0.00 179.01 179.64 3eax h PHE 7 N 1.12 -0.04 0.00 0.92 3.04 0.15 0.11 116.94 122.24 3eax h PHE 7 Ca 0.25 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 3eax h PHE 7 Cb 0.29 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3eax h PHE 7 CO 0.02 0.04 -0.04 0.93 -2.02 0.00 0.00 178.31 177.24 3eax h GLU 8 N -0.11 0.00 0.11 1.11 5.08 -0.79 -1.28 114.58 118.69 3eax h GLU 8 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3eax h GLU 8 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3eax h GLU 8 CO 0.01 0.04 -0.05 0.37 -1.00 0.00 0.00 179.01 178.38 3eax h GLN 9 N 0.00 -0.14 -0.73 2.33 -0.00 -0.27 -1.59 115.11 114.71 3eax h GLN 9 Ca -0.00 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.73 3eax h GLN 9 Cb 0.39 0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.86 3eax h GLN 9 CO 0.01 0.23 0.48 0.82 0.00 0.00 0.00 178.83 180.37 3eax h ILE 10 N -0.97 1.01 -0.31 2.39 2.04 -0.70 -1.05 117.51 119.92 3eax h ILE 10 Ca -0.01 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 3eax h ILE 10 Cb 0.44 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3eax h ILE 10 CO 0.02 0.13 -0.04 -0.78 0.00 0.00 0.00 178.15 177.49 3eax h ASP 11 N 0.74 0.57 -0.20 1.72 3.58 -1.30 0.26 116.42 121.79 3eax h ASP 11 Ca 0.32 -0.34 0.02 0.00 0.42 0.00 0.00 57.03 57.45 3eax h ASP 11 Cb 0.29 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3eax h ASP 11 CO -0.11 0.77 0.08 0.50 -2.88 0.00 0.00 179.24 177.61 3eax h LYS 12 N 0.36 0.18 -0.00 0.28 3.64 -0.19 -2.16 116.57 118.67 3eax h LYS 12 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3eax h LYS 12 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3eax h LYS 12 CO 0.02 0.12 -0.11 -1.13 -2.27 0.00 0.00 179.45 176.08 3eax n SER 13 N -5.02 0.53 -3.72 4.20 3.41 -0.53 -4.95 113.62 107.53 3eax n SER 13 Ca -0.03 -0.64 -0.26 0.00 -0.26 0.00 0.00 58.87 57.69 3eax n SER 13 Cb 0.06 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3eax n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3eax n GLY 14 N 1.27 -0.62 0.57 5.00 0.00 0.83 -4.92 105.19 107.33 3eax n GLY 14 Ca 0.15 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.55 3eax n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3eax n SER 15 N -2.90 3.27 -0.16 1.61 3.41 -0.71 -4.77 113.62 113.38 3eax n SER 15 Ca -0.20 -3.01 -0.03 0.00 -0.26 0.00 0.00 58.87 55.37 3eax n SER 15 Cb 0.64 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3eax n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3eax h TRP 16 N 1.12 -0.19 -0.99 7.33 4.06 -1.92 0.20 115.95 125.57 3eax h TRP 16 Ca 0.00 0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.09 3eax h TRP 16 Cb 1.25 0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 29.50 3eax h TRP 16 CO 0.30 -0.18 0.63 0.00 -3.56 0.00 0.00 178.44 175.63 3eax h ALA 17 N 1.48 1.48 -0.23 1.49 0.00 -1.90 0.31 119.26 121.90 3eax h ALA 17 Ca 0.24 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3eax h ALA 17 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3eax h ALA 17 CO -0.48 0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.03 3eax h ALA 18 N 1.51 0.32 -0.63 0.00 0.00 -1.38 -0.79 119.26 118.29 3eax h ALA 18 Ca 0.46 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3eax h ALA 18 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3eax h ALA 18 CO -0.21 0.11 0.39 0.82 0.00 0.00 0.00 179.25 180.36 3eax h ILE 19 N 0.18 1.10 -0.61 0.00 1.08 0.44 -2.37 117.51 117.32 3eax h ILE 19 Ca 0.06 -0.27 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 3eax h ILE 19 Cb 0.52 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3eax h ILE 19 CO 0.02 0.14 0.09 0.22 -0.69 0.00 0.00 178.15 177.94 3eax h TYR 20 N 0.78 1.05 -0.61 1.37 3.20 -0.29 -3.07 116.97 119.41 3eax h TYR 20 Ca 0.25 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3eax h TYR 20 Cb -0.01 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3eax h TYR 20 CO -0.05 0.90 0.29 0.37 -1.64 0.00 0.00 178.16 178.03 3eax h GLN 21 N 0.94 0.88 -0.60 1.82 5.75 -0.65 -1.86 115.11 121.39 3eax h GLN 21 Ca 0.19 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 3eax h GLN 21 Cb 0.42 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 3eax h GLN 21 CO 0.01 0.71 0.32 -0.44 -2.65 0.00 0.00 178.83 176.78 3eax h ASP 22 N 0.83 0.47 0.19 -0.69 5.19 -1.36 0.90 116.42 121.95 3eax h ASP 22 Ca 0.21 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3eax h ASP 22 Cb 0.12 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3eax h ASP 22 CO -0.03 0.31 -0.18 0.40 -3.12 0.00 0.00 179.24 176.63 3eax h ILE 23 N 0.60 0.61 -0.77 0.35 2.04 -1.40 0.18 117.51 119.12 3eax h ILE 23 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 3eax h ILE 23 Cb 0.16 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 3eax h ILE 23 CO -0.17 0.00 0.44 0.03 0.00 0.00 0.00 178.15 178.45 3eax h ARG 24 N -0.39 0.75 -0.64 2.37 3.08 -0.82 0.73 114.38 119.47 3eax h ARG 24 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3eax h ARG 24 Cb 0.37 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3eax h ARG 24 CO -0.04 0.50 0.22 1.25 -1.07 0.00 0.00 179.97 180.83 3eax h HIS 25 N 0.78 1.01 0.00 3.04 2.76 -0.39 -2.87 115.15 119.47 3eax h HIS 25 Ca 0.36 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3eax h HIS 25 Cb 0.28 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3eax h HIS 25 CO -0.07 0.81 -0.17 1.49 -1.30 0.00 0.00 177.93 178.69 3eax h GLU 26 N 0.91 0.00 -6.27 5.26 4.81 0.20 -3.47 114.58 116.02 3eax h GLU 26 Ca 0.21 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.81 3eax h GLU 26 Cb 0.26 0.00 0.12 0.00 0.63 0.00 0.00 28.75 29.76 3eax h GLU 26 CO -0.01 0.04 -0.24 0.00 -0.73 0.00 0.00 179.01 178.06 3eax n ALA 27 N -2.12 -1.48 -1.11 2.92 0.00 0.25 -4.90 120.51 114.07 3eax n ALA 27 Ca 0.03 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 3eax n ALA 27 Cb 0.55 -1.81 0.12 0.00 0.00 0.00 0.00 19.45 18.31 3eax n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3eax s SER 28 N -0.81 3.74 -0.13 0.00 0.01 -1.26 -5.03 113.70 110.22 3eax s SER 28 Ca 0.61 2.26 -0.03 0.00 1.31 0.00 0.00 55.95 60.10 3eax s SER 28 Cb -0.75 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 62.95 3eax s SER 28 CO 0.58 -2.56 0.05 -0.62 0.41 0.00 0.00 173.24 171.10 3eax s ASP 29 N -2.38 2.08 0.18 2.44 2.15 -1.26 -4.96 116.67 114.92 3eax s ASP 29 Ca 0.71 -0.41 0.06 0.00 0.43 0.00 0.00 52.55 53.33 3eax s ASP 29 Cb -0.26 -0.34 -0.05 0.00 -0.30 0.00 0.00 42.92 41.97 3eax s ASP 29 CO 0.51 -0.29 -0.11 -0.36 -0.17 0.00 0.00 175.17 174.75 3eax s PHE 30 N 2.05 1.47 0.50 -5.34 0.08 -1.26 -5.14 117.98 110.33 3eax s PHE 30 Ca 0.02 -0.69 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 3eax s PHE 30 Cb -0.15 -0.73 -0.07 0.00 -0.57 0.00 0.00 43.02 41.50 3eax s PHE 30 CO -0.07 0.19 1.09 -1.25 -0.10 0.00 0.00 175.22 175.08 3eax s PRO 31 N -3.71 3.67 -0.40 0.24 0.04 -1.26 -4.89 135.00 128.69 3eax s PRO 31 Ca 0.20 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.85 3eax s PRO 31 Cb 0.01 -2.14 0.42 0.00 0.04 0.00 0.00 34.50 32.84 3eax s PRO 31 CO 0.04 -0.57 0.99 0.00 0.04 0.00 0.00 177.00 177.50 3eax h ARG 33 N 2.83 -0.98 -0.77 0.00 9.65 -1.94 -2.57 114.38 120.60 3eax h ARG 33 Ca 0.11 0.07 0.10 0.00 -1.10 0.00 0.00 59.98 59.15 3eax h ARG 33 Cb 0.97 0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 29.70 3eax h ARG 33 CO 0.68 -0.65 0.41 -0.24 2.80 0.00 0.00 179.97 182.97 3eax h VAL 34 N -1.02 0.87 0.00 0.20 3.04 -1.93 0.24 116.25 117.66 3eax h VAL 34 Ca -0.06 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3eax h VAL 34 Cb 0.88 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3eax h VAL 34 CO -0.06 0.13 -0.00 0.00 -1.01 0.00 0.00 177.57 176.62 3eax h ALA 35 N 1.44 1.04 -0.00 3.17 0.00 -1.81 -1.58 119.26 121.53 3eax h ALA 35 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3eax h ALA 35 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3eax h ALA 35 CO -0.26 0.00 -0.74 1.63 0.00 0.00 0.00 179.25 179.89 3eax n LYS 36 N -3.14 0.04 -1.73 0.00 4.76 0.78 -4.74 118.16 114.13 3eax n LYS 36 Ca -0.03 -0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 54.98 3eax n LYS 36 Cb 0.09 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 3eax n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3eax n LEU 37 N -1.45 4.70 -0.29 -0.35 4.77 -0.59 -4.88 117.00 118.90 3eax n LEU 37 Ca 0.05 1.10 0.04 0.00 -0.03 0.00 0.00 56.01 57.17 3eax n LEU 37 Cb 0.34 -1.56 0.18 0.00 -2.33 0.00 0.00 43.42 40.05 3eax n LEU 37 CO 0.39 -0.42 1.12 -0.65 -1.33 0.00 0.00 177.39 176.50 3eax h PRO 38 N 2.10 0.70 0.00 3.23 0.11 -1.92 -1.46 132.00 134.76 3eax h PRO 38 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3eax h PRO 38 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3eax h PRO 38 CO 0.60 0.46 0.00 1.57 -0.21 0.00 0.00 178.00 180.42 3eax h LYS 39 N 0.72 0.00 -0.37 1.05 2.10 -1.95 -1.59 116.57 116.54 3eax h LYS 39 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3eax h LYS 39 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3eax h LYS 39 CO -0.29 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.25 3eax n ASN 40 N -2.59 3.23 -0.27 7.07 3.02 -0.55 -4.59 115.26 120.59 3eax n ASN 40 Ca -0.02 -1.93 0.04 0.00 -0.03 0.00 0.00 54.58 52.65 3eax n ASN 40 Cb 0.07 -0.24 0.18 0.00 -0.61 0.00 0.00 39.78 39.18 3eax n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3eax h LYS 41 N 3.74 0.56 -0.42 3.52 3.64 -1.30 -0.60 116.57 125.72 3eax h LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3eax h LYS 41 Cb 0.88 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3eax h LYS 41 CO 0.00 0.37 0.00 0.27 -2.27 0.00 0.00 179.45 177.82 3eax n ASN 42 N -4.90 1.28 -0.41 4.20 0.23 -1.26 -3.17 115.26 111.23 3eax n ASN 42 Ca 0.14 -2.07 0.07 0.00 -0.53 0.00 0.00 54.58 52.19 3eax n ASN 42 Cb 0.37 -0.26 0.02 0.00 -2.08 0.00 0.00 39.78 37.83 3eax n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3eax n ARG 43 N 0.03 1.49 -4.52 -3.83 1.74 -0.23 -4.90 116.66 106.45 3eax n ARG 43 Ca 0.06 -0.97 -0.33 0.00 -0.77 0.00 0.00 57.85 55.83 3eax n ARG 43 Cb 0.25 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.36 3eax n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3eax s ASN 44 N -1.45 4.74 -0.18 0.55 0.01 -1.19 -4.43 114.94 113.00 3eax s ASN 44 Ca 0.13 -0.04 -0.20 0.00 -0.71 0.00 0.00 52.86 52.05 3eax s ASN 44 Cb 0.11 -1.19 -0.22 0.00 0.41 0.00 0.00 41.25 40.37 3eax s ASN 44 CO 0.27 0.33 0.32 -0.09 -1.51 0.00 0.00 177.10 176.42 3eax h ARG 45 N 4.93 0.06 -5.61 -0.60 2.43 -1.89 -3.47 114.38 110.23 3eax h ARG 45 Ca -0.49 -0.11 -0.68 0.00 -0.81 0.00 0.00 59.98 57.89 3eax h ARG 45 Cb 1.17 0.04 -0.32 0.00 -0.42 0.00 0.00 29.97 30.44 3eax h ARG 45 CO 0.53 1.05 -0.88 0.71 -1.51 0.00 0.00 179.97 179.88 3eax s TYR 46 N -2.39 2.46 0.41 2.20 2.02 -1.26 -5.02 117.35 115.77 3eax s TYR 46 Ca -0.26 -0.88 0.15 0.00 -0.37 0.00 0.00 57.07 55.71 3eax s TYR 46 Cb 0.05 -1.63 0.92 0.00 -0.40 0.00 0.00 41.96 40.90 3eax s TYR 46 CO 0.64 -0.32 1.93 0.00 -1.57 0.00 0.00 175.55 176.23 3eax h ARG 47 N 6.42 0.00 -0.58 -0.62 3.08 -2.00 -2.37 114.38 118.31 3eax h ARG 47 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3eax h ARG 47 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3eax h ARG 47 CO 0.47 0.26 0.00 -0.40 -1.07 0.00 0.00 179.97 179.23 3eax n ASP 48 N -4.14 3.29 -3.57 7.04 5.75 -1.26 -4.59 116.55 119.08 3eax n ASP 48 Ca -0.02 -2.22 -0.27 0.00 -0.01 0.00 0.00 54.79 52.27 3eax n ASP 48 Cb 0.32 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 3eax n ASP 48 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3eax n VAL 49 N 0.82 -0.22 -4.32 2.12 0.31 -0.89 -4.98 118.33 111.17 3eax n VAL 49 Ca 0.18 -3.93 -0.27 0.00 -0.01 0.00 0.00 64.34 60.31 3eax n VAL 49 Cb 0.60 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.59 3eax n VAL 49 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3eax s SER 50 N -0.49 4.01 0.15 4.52 0.01 -1.26 -4.66 113.70 115.98 3eax s SER 50 Ca 0.30 -0.64 -0.24 0.00 1.31 0.00 0.00 55.95 56.68 3eax s SER 50 Cb 0.01 -0.59 -0.08 0.00 0.21 0.00 0.00 66.02 65.58 3eax s SER 50 CO -0.19 0.12 0.74 -2.16 0.41 0.00 0.00 173.24 172.16 3eax s PRO 51 N -2.70 4.50 0.61 12.44 0.04 -1.26 -4.58 135.00 144.04 3eax s PRO 51 Ca 0.23 1.08 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 3eax s PRO 51 Cb -0.09 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 3eax s PRO 51 CO 0.13 0.58 1.20 -0.06 0.04 0.00 0.00 177.00 178.90 3eax s PHE 52 N -1.14 2.38 0.26 0.56 0.08 -1.26 -4.55 117.98 114.31 3eax s PHE 52 Ca 0.35 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.89 3eax s PHE 52 Cb -0.22 -3.46 0.33 0.00 -0.57 0.00 0.00 43.02 39.09 3eax s PHE 52 CO 0.25 -2.20 1.78 -0.44 -0.10 0.00 0.00 175.22 174.51 3eax h ASP 53 N 0.75 0.81 0.79 1.36 3.32 -1.21 -2.41 116.42 119.83 3eax h ASP 53 Ca -0.50 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.34 3eax h ASP 53 Cb 1.29 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3eax h ASP 53 CO 0.55 0.83 -0.15 1.12 -1.72 0.00 0.00 179.24 179.87 3eax h HIS 54 N 0.81 0.00 0.00 4.55 2.07 -1.91 -3.23 115.15 117.44 3eax h HIS 54 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 3eax h HIS 54 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3eax h HIS 54 CO 0.02 0.15 0.00 -1.13 -3.07 0.00 0.00 177.93 173.91 3eax n SER 55 N -3.38 1.85 -4.78 3.10 3.41 -1.20 -5.06 113.62 107.56 3eax n SER 55 Ca -0.00 -1.90 -0.35 0.00 -0.26 0.00 0.00 58.87 56.35 3eax n SER 55 Cb 0.35 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3eax n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3eax s ARG 56 N -0.90 3.69 0.09 4.33 1.70 -0.91 -0.14 118.95 126.80 3eax s ARG 56 Ca 0.00 1.57 -0.27 0.00 -0.47 0.00 0.00 55.73 56.56 3eax s ARG 56 Cb 0.00 -2.21 -0.06 0.00 -0.57 0.00 0.00 34.95 32.11 3eax s ARG 56 CO 0.00 -0.56 0.84 0.42 -1.08 0.00 0.00 175.30 174.92 3eax s ILE 57 N -1.75 4.59 -0.14 4.99 -1.09 -0.07 -4.78 121.20 122.95 3eax s ILE 57 Ca 0.67 1.81 -0.03 0.00 -2.23 0.00 0.00 60.65 60.87 3eax s ILE 57 Cb -0.23 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.42 3eax s ILE 57 CO 0.27 0.37 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.77 3eax s LYS 58 N -0.17 3.51 0.28 2.79 1.02 -1.26 -4.30 119.74 121.60 3eax s LYS 58 Ca 0.41 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 3eax s LYS 58 Cb -0.22 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 3eax s LYS 58 CO 0.26 0.33 1.08 -0.51 -0.92 0.00 0.00 175.35 175.59 3eax s LEU 59 N 0.12 4.56 -1.34 3.17 1.02 0.54 -4.93 118.68 121.80 3eax s LEU 59 Ca -0.01 2.23 -0.10 0.00 0.02 0.00 0.00 54.13 56.26 3eax s LEU 59 Cb -0.14 -3.64 0.12 0.00 0.02 0.00 0.00 46.19 42.56 3eax s LEU 59 CO 0.03 -0.11 2.05 1.41 0.02 0.00 0.00 176.35 179.75 3eax n HIS 60 N 1.20 3.04 -3.66 0.29 8.25 -1.26 -4.53 115.22 118.54 3eax n HIS 60 Ca -0.01 -2.85 -0.15 0.00 -0.26 0.00 0.00 57.72 54.45 3eax n HIS 60 Cb 0.45 -2.12 -0.08 0.00 1.12 0.00 0.00 29.99 29.36 3eax n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3eax s GLN 61 N 1.08 0.80 0.00 -0.41 -2.07 -1.26 -5.13 119.66 112.66 3eax s GLN 61 Ca 0.44 0.12 0.00 0.00 -1.82 0.00 0.00 55.36 54.10 3eax s GLN 61 Cb 0.12 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 3eax s GLN 61 CO -0.03 -0.22 0.00 0.39 -1.32 0.00 0.00 175.29 174.11 3eax n GLU 62 N 1.40 0.98 0.00 9.60 1.02 -1.26 -3.99 120.64 128.39 3eax n GLU 62 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3eax n GLU 62 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 3eax n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3eax n ASP 63 N -0.03 0.00 -3.63 1.62 2.03 -1.26 -4.33 116.55 110.95 3eax n ASP 63 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 3eax n ASP 63 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 3eax n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3eax s ASN 64 N -3.79 1.44 -0.05 1.67 3.84 -1.26 -4.99 114.94 111.79 3eax s ASN 64 Ca 0.00 -0.11 0.18 0.00 0.21 0.00 0.00 52.86 53.14 3eax s ASN 64 Cb 0.00 0.01 0.61 0.00 -0.55 0.00 0.00 41.25 41.32 3eax s ASN 64 CO 0.00 -0.29 1.51 -0.90 -2.79 0.00 0.00 177.10 174.63 3eax n ASP 65 N 5.30 3.90 -4.76 -4.21 5.68 -1.26 -4.77 116.55 116.44 3eax n ASP 65 Ca -0.05 -2.21 -0.39 0.00 -0.50 0.00 0.00 54.79 51.64 3eax n ASP 65 Cb 0.50 -0.49 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 3eax n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3eax s TYR 66 N -1.49 3.75 -0.20 2.11 5.04 -1.26 -0.34 117.35 124.96 3eax s TYR 66 Ca 0.44 1.43 -0.17 0.00 -2.44 0.00 0.00 57.07 56.33 3eax s TYR 66 Cb 0.26 -2.75 0.05 0.00 0.35 0.00 0.00 41.96 39.88 3eax s TYR 66 CO 0.25 0.34 0.52 -1.50 -1.34 0.00 0.00 175.55 173.82 3eax s ILE 67 N -0.29 -0.00 -1.18 3.14 2.07 -1.26 -4.90 121.20 118.78 3eax s ILE 67 Ca 0.36 0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.40 3eax s ILE 67 Cb -0.20 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.67 3eax s ILE 67 CO 0.22 0.00 1.77 0.21 -1.91 0.00 0.00 174.94 175.24 3eax s ASN 68 N 0.50 6.07 -0.15 4.50 3.84 -1.26 -4.62 114.94 123.82 3eax s ASN 68 Ca -0.02 -1.87 -0.17 0.00 0.21 0.00 0.00 52.86 51.00 3eax s ASN 68 Cb -0.04 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.12 3eax s ASN 68 CO -0.02 -1.96 0.47 0.00 -2.79 0.00 0.00 177.10 172.80 3eax s ALA 69 N 6.98 -1.17 0.08 1.71 0.00 -1.26 -2.80 121.76 125.29 3eax s ALA 69 Ca 0.59 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.84 3eax s ALA 69 Cb 0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3eax s ALA 69 CO 0.06 -0.24 -0.22 -1.12 0.00 0.00 0.00 175.76 174.24 3eax s SER 70 N -0.05 2.61 -0.35 0.00 0.01 0.22 -0.89 113.70 115.24 3eax s SER 70 Ca -0.03 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.45 3eax s SER 70 Cb -0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3eax s SER 70 CO 0.02 0.12 0.47 -0.22 0.41 0.00 0.00 173.24 174.04 3eax s LEU 71 N -1.56 4.38 -0.45 2.44 2.96 0.80 -0.99 118.68 126.25 3eax s LEU 71 Ca 0.08 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 3eax s LEU 71 Cb -0.09 -2.51 0.06 0.00 0.50 0.00 0.00 46.19 44.15 3eax s LEU 71 CO 0.03 -0.44 0.35 -0.63 -1.32 0.00 0.00 176.35 174.34 3eax s ILE 72 N 2.28 5.05 -0.38 6.68 1.01 0.22 -4.90 121.20 131.16 3eax s ILE 72 Ca 0.17 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 3eax s ILE 72 Cb -0.16 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.35 3eax s ILE 72 CO 0.13 -0.51 0.24 -0.75 0.00 0.00 0.00 174.94 174.05 3eax s LYS 73 N 1.61 2.93 -0.67 2.79 2.20 -1.26 -1.17 119.74 126.17 3eax s LYS 73 Ca 0.04 -1.02 -0.16 0.00 -0.36 0.00 0.00 55.97 54.46 3eax s LYS 73 Cb -0.23 -3.81 0.15 0.00 -1.51 0.00 0.00 37.83 32.43 3eax s LYS 73 CO 0.06 -0.69 0.68 -1.64 -0.36 0.00 0.00 175.35 173.40 3eax s MET 74 N 1.61 3.23 0.08 4.03 -1.94 0.03 -4.96 119.30 121.37 3eax s MET 74 Ca 0.03 -1.83 -0.24 0.00 -1.71 0.00 0.00 55.69 51.94 3eax s MET 74 Cb -0.19 -4.37 -0.09 0.00 2.01 0.00 0.00 34.83 32.18 3eax s MET 74 CO 0.08 -1.41 1.39 1.49 -0.01 0.00 0.00 175.02 176.56 3eax h GLU 75 N 8.64 -0.42 -0.76 2.03 4.81 -1.96 0.13 114.58 127.04 3eax h GLU 75 Ca -0.15 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3eax h GLU 75 Cb 1.07 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3eax h GLU 75 CO 0.98 -0.28 0.50 1.49 -0.73 0.00 0.00 179.01 180.97 3eax h GLU 76 N -0.44 1.00 0.00 1.92 4.81 -1.97 -1.78 114.58 118.12 3eax h GLU 76 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3eax h GLU 76 Cb 0.50 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3eax h GLU 76 CO -0.29 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.65 3eax n ALA 77 N -2.31 2.14 -3.68 2.92 0.00 -1.17 -4.91 120.51 113.50 3eax n ALA 77 Ca 0.07 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 3eax n ALA 77 Cb 0.02 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.10 3eax n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3eax n GLN 78 N -1.81 -5.98 -4.04 0.00 1.13 0.40 -4.97 117.38 102.12 3eax n GLN 78 Ca 0.05 0.70 -0.15 0.00 -1.94 0.00 0.00 57.00 55.67 3eax n GLN 78 Cb 0.33 -5.53 -0.14 0.00 0.11 0.00 0.00 30.24 25.01 3eax n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3eax s ARG 79 N -6.06 0.27 0.05 -1.09 3.52 -0.93 -4.88 118.95 109.82 3eax s ARG 79 Ca 0.27 -0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.85 3eax s ARG 79 Cb -0.13 -0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 3eax s ARG 79 CO 0.78 0.05 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.98 3eax s SER 80 N 0.06 2.61 0.02 -2.12 0.01 -1.26 -0.79 113.70 112.23 3eax s SER 80 Ca -0.00 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.73 3eax s SER 80 Cb -0.03 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 3eax s SER 80 CO -0.00 0.18 -0.04 -0.31 0.41 0.00 0.00 173.24 173.48 3eax s TYR 81 N -0.81 0.34 -0.28 2.43 1.51 -0.32 -3.94 117.35 116.28 3eax s TYR 81 Ca 0.08 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3eax s TYR 81 Cb -0.09 -0.22 0.01 0.00 -0.11 0.00 0.00 41.96 41.55 3eax s TYR 81 CO 0.02 -0.09 0.05 0.42 -1.11 0.00 0.00 175.55 174.84 3eax s ILE 82 N -0.87 3.78 -0.19 2.71 1.01 -0.19 0.73 121.20 128.18 3eax s ILE 82 Ca -0.08 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 3eax s ILE 82 Cb -0.06 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3eax s ILE 82 CO -0.00 0.13 0.15 -0.76 0.00 0.00 0.00 174.94 174.46 3eax s LEU 83 N 1.48 4.24 0.21 2.97 1.02 -0.16 -0.35 118.68 128.09 3eax s LEU 83 Ca 0.03 0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.46 3eax s LEU 83 Cb -0.17 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 3eax s LEU 83 CO 0.01 0.20 0.15 0.28 0.02 0.00 0.00 176.35 177.02 3eax s THR 84 N 0.18 0.00 0.47 5.49 -1.32 -0.01 -0.61 115.64 119.83 3eax s THR 84 Ca 0.10 -1.99 -0.07 0.00 -1.21 0.00 0.00 61.69 58.52 3eax s THR 84 Cb -0.11 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3eax s THR 84 CO -0.01 0.00 0.80 0.00 -2.21 0.00 0.00 174.62 173.20 3eax s GLN 85 N -4.09 3.62 0.23 7.08 -2.07 -1.12 -3.69 119.66 119.61 3eax s GLN 85 Ca 0.39 0.33 -0.31 0.00 -1.82 0.00 0.00 55.36 53.94 3eax s GLN 85 Cb 0.06 -2.36 -0.11 0.00 -1.09 0.00 0.00 33.01 29.52 3eax s GLN 85 CO 0.13 -0.19 1.63 0.20 -1.32 0.00 0.00 175.29 175.75 3eax s GLY 86 N -3.83 1.63 0.48 2.60 0.00 -0.92 -4.88 107.32 102.39 3eax s GLY 86 Ca 0.49 1.52 -0.21 0.00 0.00 0.00 0.00 44.72 46.52 3eax s GLY 86 CO 0.42 2.69 0.73 -1.05 0.00 0.00 0.00 173.10 175.89 3eax n PRO 87 N 3.33 0.83 -3.93 2.90 -0.02 -1.26 -4.77 135.00 132.08 3eax n PRO 87 Ca 0.13 0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 3eax n PRO 87 Cb 0.37 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3eax n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3eax s LEU 88 N 0.31 4.29 0.47 2.45 2.01 -1.26 -1.70 118.68 125.25 3eax s LEU 88 Ca 0.66 0.07 0.30 0.00 0.01 0.00 0.00 54.13 55.17 3eax s LEU 88 Cb -0.52 -2.87 1.38 0.00 0.01 0.00 0.00 46.19 44.18 3eax s LEU 88 CO 0.55 -0.09 1.74 -0.65 1.01 0.00 0.00 176.35 178.91 3eax h PRO 89 N 1.14 0.16 -0.11 1.29 0.11 -1.96 0.92 132.00 133.55 3eax h PRO 89 Ca -0.52 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3eax h PRO 89 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3eax h PRO 89 CO 0.61 0.10 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 3eax n ASN 90 N -4.42 3.07 -0.11 -2.05 6.94 -1.26 -4.38 115.26 113.04 3eax n ASN 90 Ca 0.29 -1.99 0.05 0.00 -0.02 0.00 0.00 54.58 52.91 3eax n ASN 90 Cb 1.20 -0.05 0.08 0.00 -2.36 0.00 0.00 39.78 38.65 3eax n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3eax n THR 91 N 1.36 1.44 -0.10 5.53 -2.24 0.30 -4.68 114.28 115.89 3eax n THR 91 Ca 0.15 -1.58 -0.04 0.00 -2.27 0.00 0.00 64.05 60.31 3eax n THR 91 Cb 0.60 0.15 0.16 0.00 -2.10 0.00 0.00 70.33 69.14 3eax n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3eax h GLY 93 N 0.97 1.07 1.01 0.00 0.00 -1.91 -2.40 103.07 101.82 3eax h GLY 93 Ca 0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 3eax h GLY 93 CO 0.02 0.79 0.30 0.45 0.00 0.00 0.00 176.54 178.10 3eax h HIS 94 N 0.86 1.02 -0.38 5.60 3.86 -1.76 -0.47 115.15 123.87 3eax h HIS 94 Ca 0.13 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3eax h HIS 94 Cb 0.67 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 3eax h HIS 94 CO 0.05 0.78 0.20 0.35 0.86 0.00 0.00 177.93 180.16 3eax h PHE 95 N 0.97 0.36 0.00 2.45 3.57 -0.69 -0.85 116.94 122.75 3eax h PHE 95 Ca 0.23 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3eax h PHE 95 Cb 0.17 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3eax h PHE 95 CO 0.01 0.20 -0.51 -1.49 -2.23 0.00 0.00 178.31 174.29 3eax h TRP 96 N 0.40 0.00 -0.71 0.41 4.06 -1.25 -2.30 115.95 116.56 3eax h TRP 96 Ca 0.16 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.04 3eax h TRP 96 Cb 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 3eax h TRP 96 CO -0.09 0.51 0.18 1.49 -3.56 0.00 0.00 178.44 176.97 3eax h GLU 97 N 0.00 1.13 0.12 0.49 4.81 -0.63 -0.86 114.58 119.64 3eax h GLU 97 Ca -0.01 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3eax h GLU 97 Cb 1.22 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3eax h GLU 97 CO 0.07 0.99 -0.06 1.98 -0.73 0.00 0.00 179.01 181.25 3eax h MET 98 N 1.07 -0.16 -0.89 1.92 4.05 -0.96 0.16 114.93 120.11 3eax h MET 98 Ca 0.22 0.01 0.18 0.00 -0.28 0.00 0.00 59.70 59.83 3eax h MET 98 Cb 0.36 0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 31.09 3eax h MET 98 CO 0.00 0.04 0.46 0.28 0.23 0.00 0.00 176.91 177.92 3eax h VAL 99 N -0.34 0.64 0.27 -5.77 2.07 -1.16 0.15 116.25 112.12 3eax h VAL 99 Ca -0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3eax h VAL 99 Cb 0.27 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3eax h VAL 99 CO 0.03 0.11 -0.13 -0.25 0.02 0.00 0.00 177.57 177.34 3eax h TRP 100 N 0.58 -0.34 -0.33 1.57 2.91 -0.79 -1.66 115.95 117.88 3eax h TRP 100 Ca 0.52 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.50 3eax h TRP 100 Cb 0.84 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.58 3eax h TRP 100 CO -0.09 0.02 0.07 0.93 -1.03 0.00 0.00 178.44 178.34 3eax h GLU 101 N -0.82 0.48 -0.01 2.65 5.08 -0.24 -2.02 114.58 119.71 3eax h GLU 101 Ca -0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3eax h GLU 101 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3eax h GLU 101 CO 0.06 0.46 -0.07 1.04 -1.00 0.00 0.00 179.01 179.50 3eax n GLN 102 N -4.34 1.14 -3.20 2.33 1.13 0.49 -4.94 117.38 109.99 3eax n GLN 102 Ca 0.02 -0.51 -0.23 0.00 -1.94 0.00 0.00 57.00 54.34 3eax n GLN 102 Cb 0.19 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.09 3eax n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3eax n LYS 103 N -0.48 -5.62 -2.30 -1.09 5.02 -0.76 -4.08 118.16 108.83 3eax n LYS 103 Ca 0.18 0.87 -0.36 0.00 -2.02 0.00 0.00 58.31 56.97 3eax n LYS 103 Cb 0.29 -5.78 -0.01 0.00 -0.02 0.00 0.00 35.03 29.51 3eax n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3eax s SER 104 N -2.87 6.12 -0.11 4.39 0.01 -0.67 -0.74 113.70 119.83 3eax s SER 104 Ca 0.39 2.22 0.13 0.00 1.31 0.00 0.00 55.95 60.00 3eax s SER 104 Cb -0.17 -2.59 -0.19 0.00 0.21 0.00 0.00 66.02 63.27 3eax s SER 104 CO 0.48 -0.95 0.12 -1.14 0.41 0.00 0.00 173.24 172.16 3eax n ARG 105 N -0.70 1.38 -4.15 12.44 0.00 -1.26 -4.86 116.66 119.50 3eax n ARG 105 Ca 0.08 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.85 57.72 3eax n ARG 105 Cb 0.49 -1.36 -0.12 0.00 0.00 0.00 0.00 32.46 31.48 3eax n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3eax s GLY 106 N -4.47 0.81 -0.14 5.14 0.00 -1.26 -0.90 107.32 106.50 3eax s GLY 106 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.68 3eax s GLY 106 CO 0.59 -1.02 -0.16 0.14 0.00 0.00 0.00 173.10 172.65 3eax s VAL 107 N -1.42 1.63 -0.25 1.40 1.01 0.18 -1.37 120.40 121.59 3eax s VAL 107 Ca -0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3eax s VAL 107 Cb -0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3eax s VAL 107 CO 0.02 0.47 0.06 -0.69 0.00 0.00 0.00 175.10 174.95 3eax s VAL 108 N 1.22 4.21 -0.18 2.92 1.01 0.17 -0.22 120.40 129.53 3eax s VAL 108 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3eax s VAL 108 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3eax s VAL 108 CO -0.07 0.35 -0.08 -0.32 0.00 0.00 0.00 175.10 174.98 3eax s MET 109 N 1.60 3.37 -0.26 2.72 0.00 0.10 -1.52 119.30 125.30 3eax s MET 109 Ca 0.06 -0.65 0.11 0.00 0.00 0.00 0.00 55.69 55.21 3eax s MET 109 Cb -0.15 -2.85 0.51 0.00 0.00 0.00 0.00 34.83 32.34 3eax s MET 109 CO 0.03 -0.04 1.45 1.28 0.00 0.00 0.00 175.02 177.74 3eax n LEU 110 N 4.31 4.07 -4.04 4.11 4.77 -0.23 -0.69 117.00 129.29 3eax n LEU 110 Ca -0.18 -3.57 -0.10 0.00 -0.03 0.00 0.00 56.01 52.13 3eax n LEU 110 Cb 0.51 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3eax n LEU 110 CO 0.29 1.09 0.04 0.54 -1.33 0.00 0.00 177.39 178.03 3eax s ASN 111 N -2.38 -0.01 0.18 -1.43 4.22 -1.25 -4.85 114.94 109.43 3eax s ASN 111 Ca 0.44 -1.03 0.04 0.00 -2.14 0.00 0.00 52.86 50.17 3eax s ASN 111 Cb 0.39 0.51 -0.04 0.00 1.28 0.00 0.00 41.25 43.39 3eax s ASN 111 CO 0.02 -1.02 0.24 -0.13 -2.04 0.00 0.00 177.10 174.17 3eax s ARG 112 N -4.04 3.21 0.35 3.55 0.52 -1.26 -4.83 118.95 116.45 3eax s ARG 112 Ca 0.25 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 3eax s ARG 112 Cb 0.02 -2.81 0.76 0.00 0.52 0.00 0.00 34.95 33.44 3eax s ARG 112 CO 0.08 0.48 1.91 0.28 0.02 0.00 0.00 175.30 178.07 3eax h VAL 113 N 1.68 0.93 -3.36 3.52 2.07 -1.95 -3.39 116.25 115.74 3eax h VAL 113 Ca -0.49 -0.26 -0.59 0.00 0.82 0.00 0.00 66.70 66.18 3eax h VAL 113 Cb 1.21 0.11 -0.33 0.00 -1.52 0.00 0.00 31.29 30.75 3eax h VAL 113 CO 0.65 0.14 -0.84 -0.32 0.02 0.00 0.00 177.57 177.21 3eax s MET 114 N -5.70 2.32 0.01 1.57 -2.45 -1.26 -0.65 119.30 113.14 3eax s MET 114 Ca -0.10 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 53.72 3eax s MET 114 Cb 0.21 -1.83 -0.01 0.00 1.25 0.00 0.00 34.83 34.44 3eax s MET 114 CO 0.78 0.07 -0.02 -1.21 1.05 0.00 0.00 175.02 175.70 3eax s GLU 115 N 0.58 0.18 -1.19 4.11 2.02 -0.69 -4.82 118.70 118.89 3eax s GLU 115 Ca -0.15 -0.34 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 3eax s GLU 115 Cb -0.17 0.05 0.03 0.00 0.10 0.00 0.00 34.13 34.14 3eax s GLU 115 CO 0.05 -0.02 0.26 1.63 0.02 0.00 0.00 175.26 177.19 3eax n LYS 116 N 2.26 -2.98 -0.97 1.61 5.02 -1.26 -0.99 118.16 120.86 3eax n LYS 116 Ca -0.19 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3eax n LYS 116 Cb 0.57 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 3eax n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3eax n GLY 117 N -1.02 0.34 3.35 0.72 0.00 -1.26 -5.01 105.19 102.32 3eax n GLY 117 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3eax n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3eax s SER 118 N -2.09 2.89 -0.29 1.61 0.01 -0.16 -5.10 113.70 110.57 3eax s SER 118 Ca 0.00 -0.84 -0.28 0.00 1.31 0.00 0.00 55.95 56.13 3eax s SER 118 Cb 0.00 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3eax s SER 118 CO 0.00 0.02 1.03 -0.76 0.41 0.00 0.00 173.24 173.95 3eax s LEU 119 N -2.57 4.00 0.00 2.44 1.43 -1.26 -1.70 118.68 121.02 3eax s LEU 119 Ca 0.16 1.11 0.24 0.00 -1.03 0.00 0.00 54.13 54.61 3eax s LEU 119 Cb -0.07 -3.49 0.25 0.00 0.03 0.00 0.00 46.19 42.91 3eax s LEU 119 CO 0.07 -0.79 1.30 0.29 0.23 0.00 0.00 176.35 177.45 3eax n LYS 120 N 6.63 2.38 -3.64 1.70 4.76 0.18 -4.97 118.16 125.20 3eax n LYS 120 Ca 0.11 -2.02 -0.04 0.00 -2.87 0.00 0.00 58.31 53.49 3eax n LYS 120 Cb 0.47 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 3eax n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3eax s ALA 122 N -0.68 2.73 -1.14 0.00 0.00 -0.69 -4.81 121.76 117.17 3eax s ALA 122 Ca 0.07 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 3eax s ALA 122 Cb -0.02 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3eax s ALA 122 CO -0.09 -0.94 1.64 -1.14 0.00 0.00 0.00 175.76 175.24 3eax s GLN 123 N -4.43 3.61 0.00 0.00 2.00 -1.26 -4.78 119.66 114.79 3eax s GLN 123 Ca 0.61 -1.44 0.27 0.00 -2.00 0.00 0.00 55.36 52.81 3eax s GLN 123 Cb -0.15 -5.41 1.30 0.00 0.80 0.00 0.00 33.01 29.56 3eax s GLN 123 CO 0.43 -2.44 1.88 2.48 -0.50 0.00 0.00 175.29 177.14 3eax n TYR 124 N 9.43 0.03 -4.15 1.67 0.18 -1.26 -4.86 117.16 118.21 3eax n TYR 124 Ca 0.41 -0.01 -0.16 0.00 1.88 0.00 0.00 57.90 60.02 3eax n TYR 124 Cb 0.48 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.32 3eax n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3eax s TRP 125 N -1.97 0.81 0.26 -3.48 -2.14 -1.26 -5.07 118.94 106.09 3eax s TRP 125 Ca 0.39 -0.40 -0.30 0.00 2.66 0.00 0.00 56.10 58.46 3eax s TRP 125 Cb 0.20 -0.48 -0.10 0.00 -3.10 0.00 0.00 33.47 29.99 3eax s TRP 125 CO 0.32 -0.03 1.42 -1.25 -2.66 0.00 0.00 176.95 174.75 3eax s PRO 126 N -1.27 4.28 0.00 3.25 0.04 -1.26 -4.94 135.00 135.09 3eax s PRO 126 Ca -0.05 2.29 0.24 0.00 0.04 0.00 0.00 61.00 63.52 3eax s PRO 126 Cb -0.08 -3.10 0.26 0.00 0.04 0.00 0.00 34.50 31.61 3eax s PRO 126 CO 0.01 -0.39 1.24 1.04 0.04 0.00 0.00 177.00 178.94 3eax n GLN 127 N 2.08 0.22 -3.96 4.56 6.02 -1.26 -4.63 117.38 120.41 3eax n GLN 127 Ca 0.06 -0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.75 3eax n GLN 127 Cb 0.40 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.02 3eax n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3eax s LYS 128 N -2.89 0.18 0.26 -1.09 1.02 -1.26 -5.06 119.74 110.91 3eax s LYS 128 Ca 0.13 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 56.07 3eax s LYS 128 Cb 0.17 -0.24 0.57 0.00 -0.52 0.00 0.00 37.83 37.81 3eax s LYS 128 CO 0.72 -0.01 1.66 0.93 -0.92 0.00 0.00 175.35 177.73 3eax h GLU 129 N 6.44 0.21 -0.00 1.68 3.07 -1.91 -0.56 114.58 123.51 3eax h GLU 129 Ca -0.31 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3eax h GLU 129 Cb 1.18 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3eax h GLU 129 CO 0.50 0.14 -0.01 0.39 -1.40 0.00 0.00 179.01 178.63 3eax n GLU 130 N -5.22 0.79 -3.25 2.33 4.71 -1.26 -4.22 120.64 114.52 3eax n GLU 130 Ca 0.17 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.16 56.93 3eax n GLU 130 Cb 0.56 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 3eax n GLU 130 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3eax n LYS 131 N -1.04 3.20 -0.82 3.49 4.76 -0.22 -5.07 118.16 122.46 3eax n LYS 131 Ca 0.19 -4.66 -0.29 0.00 -2.87 0.00 0.00 58.31 50.68 3eax n LYS 131 Cb 0.19 -2.33 0.20 0.00 -1.84 0.00 0.00 35.03 31.25 3eax n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3eax s GLU 132 N -2.71 0.03 -0.04 1.97 1.03 -1.26 -4.61 118.70 113.10 3eax s GLU 132 Ca 0.38 0.88 0.06 0.00 0.03 0.00 0.00 54.97 56.32 3eax s GLU 132 Cb 0.14 -1.66 -0.02 0.00 -0.80 0.00 0.00 34.13 31.79 3eax s GLU 132 CO 0.01 -3.10 -0.24 -1.64 -1.33 0.00 0.00 175.26 168.96 3eax s MET 133 N -4.68 2.40 -0.07 -4.83 -1.94 0.48 -4.98 119.30 105.67 3eax s MET 133 Ca 0.67 -0.89 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 3eax s MET 133 Cb -0.22 -2.15 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 3eax s MET 133 CO 0.61 0.47 -0.23 0.42 -0.01 0.00 0.00 175.02 176.28 3eax s ILE 134 N -0.39 2.21 -0.57 2.53 1.01 -1.26 0.10 121.20 124.84 3eax s ILE 134 Ca 0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3eax s ILE 134 Cb -0.12 -1.83 0.15 0.00 0.01 0.00 0.00 42.46 40.67 3eax s ILE 134 CO 0.02 0.57 0.38 -0.36 0.00 0.00 0.00 174.94 175.54 3eax s PHE 135 N -0.04 3.46 0.22 3.97 0.08 0.61 -4.96 117.98 121.32 3eax s PHE 135 Ca -0.07 -2.59 -0.08 0.00 0.12 0.00 0.00 56.93 54.31 3eax s PHE 135 Cb -0.15 -3.23 0.24 0.00 -0.57 0.00 0.00 43.02 39.31 3eax s PHE 135 CO 0.05 -0.88 1.84 0.93 -0.10 0.00 0.00 175.22 177.06 3eax h GLU 136 N 7.36 0.85 -0.80 0.44 5.08 -1.96 0.36 114.58 125.91 3eax h GLU 136 Ca -0.05 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3eax h GLU 136 Cb 0.98 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 3eax h GLU 136 CO 0.72 0.56 0.51 0.38 -1.00 0.00 0.00 179.01 180.18 3eax h ASP 137 N 0.87 0.86 -0.19 1.42 2.03 -1.97 -2.60 116.42 116.84 3eax h ASP 137 Ca 0.31 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 3eax h ASP 137 Cb 0.09 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 3eax h ASP 137 CO -0.14 0.60 0.00 0.35 -1.03 0.00 0.00 179.24 179.02 3eax n THR 138 N -4.58 0.24 -3.60 1.15 -2.24 -1.12 -5.00 114.28 99.12 3eax n THR 138 Ca 0.09 -0.62 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 3eax n THR 138 Cb 0.07 1.24 0.05 0.00 -2.10 0.00 0.00 70.33 69.59 3eax n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3eax n ASN 139 N 1.32 -4.97 -4.12 3.42 5.15 0.12 -4.94 115.26 111.24 3eax n ASN 139 Ca 0.15 -0.93 -0.16 0.00 -0.60 0.00 0.00 54.58 53.04 3eax n ASN 139 Cb 0.57 -3.83 -0.12 0.00 -0.53 0.00 0.00 39.78 35.87 3eax n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3eax s LEU 140 N -6.28 2.27 -0.04 1.20 1.43 -0.84 -2.53 118.68 113.88 3eax s LEU 140 Ca 0.40 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3eax s LEU 140 Cb -0.12 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 3eax s LEU 140 CO 0.83 -0.13 -0.23 -0.75 0.23 0.00 0.00 176.35 176.29 3eax s LYS 141 N -1.68 2.26 -0.12 1.70 2.20 -0.64 -0.28 119.74 123.18 3eax s LYS 141 Ca -0.05 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.73 3eax s LYS 141 Cb -0.10 -1.99 0.01 0.00 -1.51 0.00 0.00 37.83 34.24 3eax s LYS 141 CO 0.01 0.40 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.05 3eax s LEU 142 N -0.24 1.89 -0.07 5.43 2.96 0.12 -0.88 118.68 127.89 3eax s LEU 142 Ca -0.00 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3eax s LEU 142 Cb -0.12 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3eax s LEU 142 CO 0.02 0.05 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.06 3eax s THR 143 N 0.86 1.37 -0.15 3.68 2.01 -0.50 -0.39 115.64 122.52 3eax s THR 143 Ca -0.08 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 3eax s THR 143 Cb -0.15 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3eax s THR 143 CO -0.01 0.40 1.21 -0.22 -0.69 0.00 0.00 174.62 175.32 3eax s LEU 144 N 0.50 4.19 -0.21 4.42 2.96 -1.26 -0.57 118.68 128.71 3eax s LEU 144 Ca -0.14 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 3eax s LEU 144 Cb -0.16 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 3eax s LEU 144 CO 0.05 -0.70 -0.00 -0.38 -1.32 0.00 0.00 176.35 173.99 3eax n ILE 145 N 5.18 1.57 -3.48 6.68 2.08 0.11 -4.28 119.36 127.23 3eax n ILE 145 Ca 0.13 -0.62 -0.12 0.00 0.56 0.00 0.00 62.75 62.70 3eax n ILE 145 Cb 0.45 -1.43 -0.03 0.00 -0.75 0.00 0.00 39.64 37.89 3eax n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3eax s SER 146 N -6.58 -0.51 -0.11 4.38 1.04 -1.09 -4.96 113.70 105.87 3eax s SER 146 Ca -0.28 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 3eax s SER 146 Cb 0.08 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.75 3eax s SER 146 CO 0.67 -0.75 0.25 -0.70 0.98 0.00 0.00 173.24 173.69 3eax s GLU 147 N -2.91 0.17 -0.31 4.02 2.12 -1.26 -0.94 118.70 119.60 3eax s GLU 147 Ca -0.00 0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.98 3eax s GLU 147 Cb -0.01 -0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.37 3eax s GLU 147 CO -0.07 -0.22 -0.00 0.34 -0.54 0.00 0.00 175.26 174.77 3eax s ASP 148 N 1.82 4.72 -0.32 -1.70 -1.08 0.32 -5.00 116.67 115.44 3eax s ASP 148 Ca -0.04 -1.69 -0.19 0.00 -0.52 0.00 0.00 52.55 50.10 3eax s ASP 148 Cb -0.11 -1.64 -0.01 0.00 -1.46 0.00 0.00 42.92 39.70 3eax s ASP 148 CO -0.08 -0.30 0.59 -0.63 0.52 0.00 0.00 175.17 175.26 3eax s ILE 149 N 1.07 4.96 0.48 4.11 1.01 -1.26 -1.39 121.20 130.18 3eax s ILE 149 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.43 3eax s ILE 149 Cb -0.20 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3eax s ILE 149 CO -0.05 -0.15 0.37 -0.54 0.00 0.00 0.00 174.94 174.57 3eax s LYS 150 N 2.54 2.35 0.16 2.79 -0.14 0.43 -5.01 119.74 122.87 3eax s LYS 150 Ca 0.23 -1.80 -0.13 0.00 -1.36 0.00 0.00 55.97 52.91 3eax s LYS 150 Cb -0.15 -2.20 0.05 0.00 -1.68 0.00 0.00 37.83 33.85 3eax s LYS 150 CO 0.12 -0.39 1.74 0.66 -0.76 0.00 0.00 175.35 176.72 3eax h SER 151 N 0.94 0.71 -0.00 2.83 4.64 -2.02 -3.28 113.55 117.36 3eax h SER 151 Ca -0.39 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3eax h SER 151 Cb 1.28 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3eax h SER 151 CO 0.59 0.64 -0.86 0.00 -0.87 0.00 0.00 176.83 176.33 3eax n TYR 152 N -4.57 0.00 -3.72 4.77 4.11 -1.26 -4.84 117.16 111.65 3eax n TYR 152 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.85 3eax n TYR 152 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.45 3eax n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 3eax s TYR 153 N -2.75 -0.26 -0.03 -3.48 1.13 -1.24 -2.31 117.35 108.41 3eax s TYR 153 Ca 0.08 -0.09 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 3eax s TYR 153 Cb 0.14 0.65 0.01 0.00 -1.10 0.00 0.00 41.96 41.66 3eax s TYR 153 CO 0.76 -1.03 -0.08 0.99 -2.51 0.00 0.00 175.55 173.68 3eax s THR 154 N -3.71 0.68 -0.15 -3.49 2.01 0.70 -0.43 115.64 111.25 3eax s THR 154 Ca 0.09 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 3eax s THR 154 Cb -0.04 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3eax s THR 154 CO 0.01 0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 3eax s VAL 155 N 0.28 3.01 0.06 3.82 1.01 -0.48 -0.67 120.40 127.43 3eax s VAL 155 Ca -0.04 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.37 3eax s VAL 155 Cb -0.09 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3eax s VAL 155 CO 0.00 0.51 -0.24 -0.13 0.00 0.00 0.00 175.10 175.24 3eax s ARG 156 N 0.63 1.58 -0.22 2.72 0.52 -0.09 -0.52 118.95 123.56 3eax s ARG 156 Ca -0.07 -1.09 -0.07 0.00 -0.52 0.00 0.00 55.73 53.99 3eax s ARG 156 Cb -0.15 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 3eax s ARG 156 CO 0.03 0.45 0.05 -0.65 0.02 0.00 0.00 175.30 175.19 3eax s GLN 157 N -1.35 3.70 0.14 3.54 -0.21 -0.11 -0.59 119.66 124.79 3eax s GLN 157 Ca 0.10 -0.47 0.10 0.00 0.02 0.00 0.00 55.36 55.12 3eax s GLN 157 Cb -0.10 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 3eax s GLN 157 CO 0.03 -0.03 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.42 3eax s LEU 158 N 1.18 2.49 -0.22 2.90 1.43 0.02 0.07 118.68 126.55 3eax s LEU 158 Ca 0.04 -0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 3eax s LEU 158 Cb -0.14 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3eax s LEU 158 CO 0.03 0.16 -0.08 -0.70 0.23 0.00 0.00 176.35 175.99 3eax s GLU 159 N -2.28 3.17 -0.21 1.70 2.12 0.26 -0.53 118.70 122.95 3eax s GLU 159 Ca 0.17 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.68 3eax s GLU 159 Cb -0.10 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 3eax s GLU 159 CO 0.09 -0.25 0.06 -1.17 -0.54 0.00 0.00 175.26 173.45 3eax s LEU 160 N 1.41 3.65 -0.13 2.70 0.20 0.63 -1.41 118.68 125.72 3eax s LEU 160 Ca 0.04 -0.04 0.03 0.00 0.69 0.00 0.00 54.13 54.86 3eax s LEU 160 Cb -0.15 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.68 3eax s LEU 160 CO -0.06 0.09 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.17 3eax s GLU 161 N 0.85 3.02 -0.90 1.98 2.12 -0.06 0.07 118.70 125.78 3eax s GLU 161 Ca 0.03 -0.86 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 3eax s GLU 161 Cb -0.14 -2.38 0.06 0.00 0.26 0.00 0.00 34.13 31.93 3eax s GLU 161 CO 0.02 0.05 1.32 1.21 -0.54 0.00 0.00 175.26 177.32 3eax s ASN 162 N 0.67 6.39 0.58 -1.70 3.84 0.11 -1.61 114.94 123.21 3eax s ASN 162 Ca -0.11 -1.20 0.29 0.00 0.21 0.00 0.00 52.86 52.05 3eax s ASN 162 Cb -0.16 -2.53 1.45 0.00 -0.55 0.00 0.00 41.25 39.46 3eax s ASN 162 CO 0.01 -1.54 1.87 -0.07 -2.79 0.00 0.00 177.10 174.58 3eax h LEU 163 N 12.42 0.00 -0.64 3.21 4.07 -1.77 1.41 115.31 134.01 3eax h LEU 163 Ca 0.01 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.84 3eax h LEU 163 Cb 1.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 3eax h LEU 163 CO 1.32 0.00 -0.34 0.74 -1.08 0.00 0.00 178.44 179.08 3eax h THR 164 N 0.00 1.29 -0.00 0.22 2.02 -1.89 -3.31 112.91 111.24 3eax h THR 164 Ca 0.28 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3eax h THR 164 Cb 1.39 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3eax h THR 164 CO -0.00 0.48 -0.07 0.35 0.37 0.00 0.00 175.52 176.65 3eax n THR 165 N -4.06 0.00 -0.87 3.16 -2.24 -0.29 -4.99 114.28 104.99 3eax n THR 165 Ca -0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3eax n THR 165 Cb 0.49 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3eax n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3eax n GLN 166 N -0.50 -0.58 -2.37 -0.78 6.02 0.47 -4.98 117.38 114.66 3eax n GLN 166 Ca 0.01 0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.79 3eax n GLN 166 Cb 0.06 -3.86 -0.02 0.00 1.02 0.00 0.00 30.24 27.44 3eax n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3eax s GLU 167 N -0.84 3.65 0.12 -1.09 2.12 -1.21 -4.75 118.70 116.70 3eax s GLU 167 Ca 0.00 1.56 0.05 0.00 0.36 0.00 0.00 54.97 56.94 3eax s GLU 167 Cb 0.00 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.18 3eax s GLU 167 CO 0.00 -0.59 -0.12 0.95 -0.54 0.00 0.00 175.26 174.95 3eax s THR 168 N -1.77 1.23 0.00 -1.70 -4.23 -1.26 0.07 115.64 107.98 3eax s THR 168 Ca 0.68 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 3eax s THR 168 Cb -0.22 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 3eax s THR 168 CO 0.26 -0.52 0.12 -0.13 -0.54 0.00 0.00 174.62 173.82 3eax s ARG 169 N -2.92 0.46 -0.16 3.99 0.52 0.11 -4.97 118.95 115.97 3eax s ARG 169 Ca 0.10 -0.39 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 3eax s ARG 169 Cb -0.03 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 3eax s ARG 169 CO 0.02 -0.11 0.37 -2.00 0.02 0.00 0.00 175.30 173.60 3eax s GLU 170 N -1.33 4.27 -0.09 3.54 2.12 -1.26 -0.27 118.70 125.67 3eax s GLU 170 Ca -0.14 0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.44 3eax s GLU 170 Cb -0.08 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 3eax s GLU 170 CO 0.01 0.15 -0.19 0.42 -0.54 0.00 0.00 175.26 175.12 3eax s ILE 171 N 0.70 2.58 -0.17 -3.70 -1.09 0.31 -4.88 121.20 114.96 3eax s ILE 171 Ca 0.20 -0.86 -0.15 0.00 -2.23 0.00 0.00 60.65 57.62 3eax s ILE 171 Cb -0.14 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 3eax s ILE 171 CO 0.07 0.56 0.33 -0.76 -1.23 0.00 0.00 174.94 173.90 3eax s LEU 172 N 0.03 4.22 -0.29 2.97 1.02 -0.08 -0.80 118.68 125.76 3eax s LEU 172 Ca -0.07 0.53 -0.05 0.00 0.02 0.00 0.00 54.13 54.56 3eax s LEU 172 Cb -0.15 -2.43 0.02 0.00 0.02 0.00 0.00 46.19 43.66 3eax s LEU 172 CO 0.05 0.05 0.04 -2.28 0.02 0.00 0.00 176.35 174.23 3eax s HIS 173 N 0.69 3.16 -0.32 0.29 2.46 0.25 -0.65 115.29 121.16 3eax s HIS 173 Ca 0.18 -1.27 -0.09 0.00 0.47 0.00 0.00 55.06 54.34 3eax s HIS 173 Cb -0.14 -2.20 0.00 0.00 -0.13 0.00 0.00 32.58 30.12 3eax s HIS 173 CO 0.05 -0.66 0.15 -0.06 -2.47 0.00 0.00 174.74 171.76 3eax s PHE 174 N 1.42 3.19 -0.33 3.88 0.08 0.69 -0.92 117.98 126.00 3eax s PHE 174 Ca 0.01 -0.74 -0.02 0.00 0.12 0.00 0.00 56.93 56.30 3eax s PHE 174 Cb -0.18 -2.36 0.07 0.00 -0.57 0.00 0.00 43.02 39.99 3eax s PHE 174 CO 0.00 -0.52 0.05 -1.58 -0.10 0.00 0.00 175.22 173.07 3eax s HIS 175 N 1.58 3.38 -0.36 0.36 2.46 0.16 0.02 115.29 122.87 3eax s HIS 175 Ca 0.04 -2.09 -0.25 0.00 0.47 0.00 0.00 55.06 53.23 3eax s HIS 175 Cb -0.18 -2.43 0.01 0.00 -0.13 0.00 0.00 32.58 29.85 3eax s HIS 175 CO 0.06 -0.86 0.88 -0.47 -2.47 0.00 0.00 174.74 171.88 3eax s TYR 176 N 1.20 3.09 -1.54 3.88 6.14 0.13 -0.21 117.35 130.04 3eax s TYR 176 Ca -0.01 0.71 0.17 0.00 0.64 0.00 0.00 57.07 58.58 3eax s TYR 176 Cb -0.20 -3.56 0.42 0.00 0.42 0.00 0.00 41.96 39.03 3eax s TYR 176 CO -0.02 -0.79 1.34 0.25 0.64 0.00 0.00 175.55 176.97 3eax n THR 177 N 5.91 0.85 -0.68 4.34 -2.24 -0.98 -3.78 114.28 117.69 3eax n THR 177 Ca 0.06 -0.92 0.07 0.00 -2.27 0.00 0.00 64.05 60.98 3eax n THR 177 Cb 0.48 0.63 0.12 0.00 -2.10 0.00 0.00 70.33 69.46 3eax n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3eax n THR 178 N 1.06 1.62 -2.22 4.28 -2.24 -1.23 -4.94 114.28 110.61 3eax n THR 178 Ca 0.17 -1.75 -0.42 0.00 -2.27 0.00 0.00 64.05 59.77 3eax n THR 178 Cb 0.51 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3eax n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3eax s TRP 179 N -2.19 2.77 0.54 4.78 -0.11 -1.26 -4.94 118.94 118.53 3eax s TRP 179 Ca 0.24 0.78 -0.21 0.00 1.22 0.00 0.00 56.10 58.12 3eax s TRP 179 Cb 0.20 -3.67 -0.06 0.00 -1.50 0.00 0.00 33.47 28.44 3eax s TRP 179 CO 0.04 -2.50 1.14 -0.35 -4.62 0.00 0.00 176.95 170.67 3eax n PRO 180 N 5.67 1.34 -0.21 5.86 -0.04 -1.26 -4.90 135.00 141.46 3eax n PRO 180 Ca 0.14 0.50 0.06 0.00 -0.04 0.00 0.00 63.50 64.16 3eax n PRO 180 Cb 0.44 -2.32 0.33 0.00 -0.04 0.00 0.00 33.50 31.91 3eax n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3eax h ASP 181 N 1.12 0.71 -4.36 3.54 3.45 -1.99 -3.41 116.42 115.48 3eax h ASP 181 Ca -0.49 0.01 -0.66 0.00 0.43 0.00 0.00 57.03 56.32 3eax h ASP 181 Cb 1.33 -0.15 -0.30 0.00 -0.56 0.00 0.00 39.33 39.65 3eax h ASP 181 CO 0.55 0.45 -0.87 -0.36 -1.57 0.00 0.00 179.24 177.44 3eax s PHE 182 N -5.72 2.17 0.00 4.55 0.08 -1.26 -4.97 117.98 112.83 3eax s PHE 182 Ca -0.10 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.46 3eax s PHE 182 Cb 0.20 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 3eax s PHE 182 CO 0.78 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 176.22 3eax n GLY 183 N 2.66 -0.01 3.60 4.36 0.00 -1.26 -4.92 105.19 109.61 3eax n GLY 183 Ca -0.16 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 3eax n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3eax s VAL 184 N 0.00 2.08 0.65 1.61 -7.23 -1.26 -4.72 120.40 111.53 3eax s VAL 184 Ca 0.00 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 57.93 3eax s VAL 184 Cb 0.00 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 3eax s VAL 184 CO 0.00 -0.06 1.17 -2.65 -0.31 0.00 0.00 175.10 173.25 3eax n PRO 185 N -0.92 0.97 0.00 4.82 -0.02 -1.26 -4.87 135.00 133.72 3eax n PRO 185 Ca -0.05 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.69 3eax n PRO 185 Cb 0.66 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 3eax n PRO 185 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3eax h GLU 186 N 0.40 0.03 -6.49 -0.52 9.09 -1.99 -3.44 114.58 111.66 3eax h GLU 186 Ca -0.50 -0.01 -0.64 0.00 0.05 0.00 0.00 59.36 58.26 3eax h GLU 186 Cb 1.35 -0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 28.19 3eax h GLU 186 CO 0.52 0.28 -0.86 -1.54 0.05 0.00 0.00 179.01 177.46 3eax s SER 187 N -5.49 2.90 0.00 3.06 1.04 -1.26 -5.03 113.70 108.92 3eax s SER 187 Ca -0.15 -0.61 0.31 0.00 0.48 0.00 0.00 55.95 55.98 3eax s SER 187 Cb 0.04 -0.23 1.80 0.00 0.10 0.00 0.00 66.02 67.73 3eax s SER 187 CO 0.67 0.19 2.17 -0.81 0.98 0.00 0.00 173.24 176.44 3eax n PRO 188 N 1.55 0.88 -0.15 4.02 -0.04 -1.26 -4.29 135.00 135.71 3eax n PRO 188 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 3eax n PRO 188 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 3eax n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3eax h ALA 189 N 3.86 0.01 -0.35 0.55 0.00 -1.97 0.57 119.26 121.93 3eax h ALA 189 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3eax h ALA 189 Cb 0.05 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3eax h ALA 189 CO 0.00 -0.63 0.10 0.77 0.00 0.00 0.00 179.25 179.49 3eax h SER 190 N -0.17 0.52 -0.46 0.00 0.02 -2.00 -1.91 113.55 109.54 3eax h SER 190 Ca 0.21 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3eax h SER 190 Cb 0.50 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3eax h SER 190 CO -0.56 0.60 0.28 0.15 -1.14 0.00 0.00 176.83 176.16 3eax h PHE 191 N 0.41 0.53 -0.35 3.45 3.57 -1.70 -0.71 116.94 122.13 3eax h PHE 191 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3eax h PHE 191 Cb 0.28 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3eax h PHE 191 CO 0.01 0.31 0.17 -0.07 -2.23 0.00 0.00 178.31 176.50 3eax h LEU 192 N 0.56 0.45 -0.97 0.59 3.38 -0.80 0.06 115.31 118.59 3eax h LEU 192 Ca 0.18 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3eax h LEU 192 Cb -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3eax h LEU 192 CO -0.08 0.45 0.64 0.78 0.09 0.00 0.00 178.44 180.32 3eax h ASN 193 N 0.42 1.07 -0.52 -0.43 2.35 -1.09 0.12 115.58 117.49 3eax h ASN 193 Ca 0.12 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3eax h ASN 193 Cb 0.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3eax h ASN 193 CO -0.02 0.73 0.26 0.15 -1.65 0.00 0.00 177.43 176.91 3eax h PHE 194 N 1.24 0.75 -0.34 1.19 3.57 -0.55 -0.72 116.94 122.08 3eax h PHE 194 Ca 0.38 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3eax h PHE 194 Cb -0.02 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3eax h PHE 194 CO -0.01 0.58 0.16 1.25 -2.23 0.00 0.00 178.31 178.07 3eax h LEU 195 N 0.70 0.45 -1.62 0.59 5.85 0.10 -2.06 115.31 119.31 3eax h LEU 195 Ca 0.18 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3eax h LEU 195 Cb 0.11 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3eax h LEU 195 CO -0.02 0.45 0.28 -0.26 -0.34 0.00 0.00 178.44 178.55 3eax h PHE 196 N 0.42 0.48 -0.38 1.25 0.05 -0.52 -0.23 116.94 117.99 3eax h PHE 196 Ca 0.12 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.83 3eax h PHE 196 Cb 0.12 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 3eax h PHE 196 CO -0.02 0.29 -0.09 0.87 -0.18 0.00 0.00 178.31 179.18 3eax h LYS 197 N 0.50 0.74 -0.54 1.51 1.79 -0.63 0.34 116.57 120.29 3eax h LYS 197 Ca 0.17 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3eax h LYS 197 Cb 0.05 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3eax h LYS 197 CO -0.04 0.88 0.20 0.28 -1.08 0.00 0.00 179.45 179.69 3eax h VAL 198 N 0.55 1.22 0.30 0.50 2.07 -0.66 -2.76 116.25 117.46 3eax h VAL 198 Ca 0.10 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3eax h VAL 198 Cb 0.61 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3eax h VAL 198 CO 0.04 0.27 -0.16 0.03 0.02 0.00 0.00 177.57 177.76 3eax h ARG 199 N 0.74 -0.42 0.00 1.57 3.08 -0.84 -2.67 114.38 115.84 3eax h ARG 199 Ca 0.18 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3eax h ARG 199 Cb 0.22 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3eax h ARG 199 CO -0.01 -0.28 0.07 0.93 -1.07 0.00 0.00 179.97 179.61 3eax h GLU 200 N -0.43 0.00 0.00 0.04 5.08 -0.84 -1.25 114.58 117.18 3eax h GLU 200 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3eax h GLU 200 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3eax h GLU 200 CO 0.05 0.00 -0.04 0.66 -1.00 0.00 0.00 179.01 178.68 3eax h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.18 -3.47 113.55 114.96 3eax h SER 201 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3eax h SER 201 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3eax h SER 201 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3eax n GLY 202 N 1.29 1.07 0.30 -0.77 0.00 -0.47 -4.92 105.19 101.70 3eax n GLY 202 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.26 3eax n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3eax h SER 203 N 0.00 0.00 0.06 1.61 0.02 -1.77 -2.03 113.55 111.44 3eax h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3eax h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3eax h SER 203 CO 0.00 0.03 -0.87 0.18 -1.14 0.00 0.00 176.83 175.03 3eax n LEU 204 N -3.27 1.06 -4.75 5.07 4.77 -1.26 -4.19 117.00 114.43 3eax n LEU 204 Ca -0.02 -0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 55.12 3eax n LEU 204 Cb 0.16 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3eax n LEU 204 CO 0.25 0.25 0.90 -0.44 -1.33 0.00 0.00 177.39 177.02 3eax s SER 205 N -2.93 5.39 0.64 -1.43 0.01 -0.76 -4.85 113.70 109.77 3eax s SER 205 Ca 0.10 2.55 0.40 0.00 1.31 0.00 0.00 55.95 60.30 3eax s SER 205 Cb 0.16 -2.62 2.22 0.00 0.21 0.00 0.00 66.02 66.00 3eax s SER 205 CO 0.81 -1.47 2.33 1.55 0.41 0.00 0.00 173.24 176.87 3eax h PRO 206 N 1.35 0.00 0.00 12.44 0.13 -1.89 -2.33 132.00 141.70 3eax h PRO 206 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3eax h PRO 206 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3eax h PRO 206 CO 0.57 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.49 3eax n GLU 207 N -3.31 0.05 -4.45 0.86 0.00 -1.26 -4.74 120.64 107.78 3eax n GLU 207 Ca -0.03 0.22 -0.26 0.00 0.00 0.00 0.00 57.16 57.09 3eax n GLU 207 Cb 0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.93 3eax n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3eax s HIS 208 N -2.91 2.50 1.09 -1.84 3.76 -0.88 -5.13 115.29 111.89 3eax s HIS 208 Ca 0.09 -0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 54.32 3eax s HIS 208 Cb 0.10 -1.59 0.24 0.00 1.11 0.00 0.00 32.58 32.44 3eax s HIS 208 CO 0.27 0.47 1.08 0.20 -0.85 0.00 0.00 174.74 175.91 3eax s GLY 209 N -3.70 1.55 0.41 -2.22 0.00 0.08 -4.92 107.32 98.52 3eax s GLY 209 Ca 0.35 -0.49 -0.26 0.00 0.00 0.00 0.00 44.72 44.32 3eax s GLY 209 CO 0.18 0.23 1.35 2.56 0.00 0.00 0.00 173.10 177.42 3eax s PRO 210 N -4.98 3.91 0.45 2.90 0.04 -1.26 -4.38 135.00 131.68 3eax s PRO 210 Ca 0.67 2.26 -0.24 0.00 0.04 0.00 0.00 61.00 63.73 3eax s PRO 210 Cb -0.18 -2.75 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 3eax s PRO 210 CO 0.58 -0.58 1.28 0.54 0.04 0.00 0.00 177.00 178.86 3eax s VAL 211 N -1.23 2.64 -0.27 -0.36 0.11 -1.25 -4.44 120.40 115.59 3eax s VAL 211 Ca 0.58 0.52 -0.11 0.00 -2.93 0.00 0.00 61.98 60.04 3eax s VAL 211 Cb -0.40 -3.29 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 3eax s VAL 211 CO 0.52 0.04 0.18 -0.69 -3.33 0.00 0.00 175.10 171.81 3eax s VAL 212 N -1.35 5.28 -0.03 2.04 1.01 -0.47 -1.02 120.40 125.86 3eax s VAL 212 Ca 0.62 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.82 3eax s VAL 212 Cb -0.36 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3eax s VAL 212 CO 0.45 0.28 -0.21 -0.69 0.00 0.00 0.00 175.10 174.93 3eax s VAL 213 N 1.57 2.50 0.13 2.92 1.01 0.53 0.45 120.40 129.51 3eax s VAL 213 Ca 0.07 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 3eax s VAL 213 Cb -0.15 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.37 3eax s VAL 213 CO 0.09 0.57 0.66 -1.38 0.00 0.00 0.00 175.10 175.03 3eax s HIS 214 N -0.68 -0.50 0.00 5.22 -3.43 -0.58 -0.83 115.29 114.49 3eax s HIS 214 Ca 0.11 0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 3eax s HIS 214 Cb -0.10 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.61 3eax s HIS 214 CO -0.00 -0.80 0.00 0.00 -2.00 0.00 0.00 174.74 171.94 3eax h SER 216 N 0.00 0.00 0.52 0.00 0.02 -1.91 -3.15 113.55 109.03 3eax h SER 216 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3eax h SER 216 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3eax h SER 216 CO 0.00 0.76 -0.71 0.00 -1.14 0.00 0.00 176.83 175.74 3eax n ALA 217 N -3.34 3.47 -3.09 3.77 0.00 -1.26 -2.17 120.51 117.88 3eax n ALA 217 Ca -0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 3eax n ALA 217 Cb 0.24 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.67 3eax n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3eax n GLY 218 N 1.43 0.08 1.40 0.00 0.00 -1.24 -4.36 105.19 102.50 3eax n GLY 218 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3eax n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3eax n ILE 219 N -3.80 0.00 0.00 -0.61 -5.35 -1.26 -4.43 119.36 103.90 3eax n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3eax n ILE 219 Cb 0.54 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3eax n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eax n GLY 220 N 0.59 -1.90 0.23 3.28 0.00 -1.26 -0.44 105.19 105.70 3eax n GLY 220 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3eax n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3eax h ARG 221 N 0.00 0.68 -0.68 1.61 3.08 -1.95 -2.35 114.38 114.77 3eax h ARG 221 Ca 0.00 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3eax h ARG 221 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3eax h ARG 221 CO 0.00 0.99 0.36 0.77 -1.07 0.00 0.00 179.97 181.03 3eax h SER 222 N 0.54 0.85 -0.54 7.04 0.02 -1.87 -1.25 113.55 118.34 3eax h SER 222 Ca 0.03 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3eax h SER 222 Cb 1.01 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3eax h SER 222 CO 0.09 0.71 0.19 1.23 -1.14 0.00 0.00 176.83 177.92 3eax h GLY 223 N 0.93 0.88 1.22 -3.77 0.00 -0.63 -2.32 103.07 99.38 3eax h GLY 223 Ca 0.24 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3eax h GLY 223 CO -0.04 0.47 0.44 -0.84 0.00 0.00 0.00 176.54 176.57 3eax h THR 224 N 0.74 1.22 -0.17 4.70 2.02 -1.01 0.31 112.91 120.72 3eax h THR 224 Ca 0.18 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3eax h THR 224 Cb 0.24 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3eax h THR 224 CO -0.01 0.23 0.05 0.15 0.37 0.00 0.00 175.52 176.31 3eax h PHE 225 N 1.05 0.28 -0.13 3.16 3.04 -0.86 -2.19 116.94 121.28 3eax h PHE 225 Ca 0.27 -0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.99 3eax h PHE 225 Cb -0.01 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.42 3eax h PHE 225 CO 0.01 0.39 -0.74 0.00 -2.02 0.00 0.00 178.31 175.94 3eax h LEU 227 N 0.44 0.18 -0.22 0.00 5.85 -0.94 -1.17 115.31 119.44 3eax h LEU 227 Ca -0.04 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3eax h LEU 227 Cb 1.34 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3eax h LEU 227 CO 0.14 0.20 0.14 0.00 -0.34 0.00 0.00 178.44 178.58 3eax h ALA 228 N 0.99 0.29 -0.01 1.25 0.00 -1.43 -0.84 119.26 119.50 3eax h ALA 228 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3eax h ALA 228 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3eax h ALA 228 CO -0.01 -0.21 -0.05 0.22 0.00 0.00 0.00 179.25 179.20 3eax h ASP 229 N 0.28 -0.14 -0.27 0.00 3.58 -1.30 -1.73 116.42 116.84 3eax h ASP 229 Ca 0.08 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 3eax h ASP 229 Cb 0.01 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 3eax h ASP 229 CO -0.02 -0.07 0.13 0.74 -2.88 0.00 0.00 179.24 177.14 3eax h THR 230 N -0.08 1.14 -0.70 2.25 2.02 -1.13 -1.70 112.91 114.71 3eax h THR 230 Ca 0.03 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3eax h THR 230 Cb 0.12 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3eax h THR 230 CO -0.06 0.14 0.41 0.00 0.37 0.00 0.00 175.52 176.38 3eax h LEU 232 N 0.77 1.02 -0.10 0.00 3.38 -1.12 -0.94 115.31 118.31 3eax h LEU 232 Ca 0.30 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3eax h LEU 232 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3eax h LEU 232 CO -0.16 0.96 0.06 -0.07 0.09 0.00 0.00 178.44 179.32 3eax h LEU 233 N 1.03 0.09 -0.53 1.67 3.38 -0.78 -2.44 115.31 117.73 3eax h LEU 233 Ca 0.23 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.24 3eax h LEU 233 Cb 0.30 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3eax h LEU 233 CO -0.01 0.07 0.29 -0.07 0.09 0.00 0.00 178.44 178.81 3eax h LEU 234 N 0.12 0.44 -2.37 1.67 4.07 -0.81 -0.09 115.31 118.34 3eax h LEU 234 Ca 0.04 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3eax h LEU 234 Cb -0.00 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 3eax h LEU 234 CO -0.02 0.30 -0.02 0.24 -1.08 0.00 0.00 178.44 177.86 3eax h MET 235 N 0.57 0.00 0.00 1.13 2.86 -0.98 -1.82 114.93 116.68 3eax h MET 235 Ca 0.23 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 3eax h MET 235 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3eax h MET 235 CO -0.14 0.02 -1.36 -3.47 1.06 0.00 0.00 176.91 173.02 3eax n ASP 236 N -3.23 0.74 0.02 1.22 2.03 -0.28 -4.39 116.55 112.65 3eax n ASP 236 Ca -0.02 0.31 -0.22 0.00 0.52 0.00 0.00 54.79 55.39 3eax n ASP 236 Cb 0.16 0.46 -0.14 0.00 -0.72 0.00 0.00 41.12 40.89 3eax n ASP 236 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3eax h LYS 237 N 0.00 0.28 -6.78 -0.67 3.64 -0.29 -3.49 116.57 109.27 3eax h LYS 237 Ca -0.11 -0.49 -0.47 0.00 -1.27 0.00 0.00 60.65 58.32 3eax h LYS 237 Cb 1.35 0.18 0.03 0.00 -0.41 0.00 0.00 32.23 33.38 3eax h LYS 237 CO 0.02 1.23 -0.03 -0.98 -2.27 0.00 0.00 179.45 177.42 3eax s ARG 238 N -2.56 3.17 0.06 1.90 1.70 -0.81 -5.03 118.95 117.38 3eax s ARG 238 Ca -0.21 -0.29 -0.14 0.00 -0.47 0.00 0.00 55.73 54.62 3eax s ARG 238 Cb 0.06 -2.50 -0.04 0.00 -0.57 0.00 0.00 34.95 31.90 3eax s ARG 238 CO 0.78 -0.27 1.23 0.87 -1.08 0.00 0.00 175.30 176.83 3eax h LYS 239 N 0.33 -0.13 -4.50 3.89 6.56 -1.93 -3.35 116.57 117.43 3eax h LYS 239 Ca -0.47 0.01 -0.71 0.00 -1.06 0.00 0.00 60.65 58.42 3eax h LYS 239 Cb 1.24 0.03 -0.27 0.00 -0.57 0.00 0.00 32.23 32.66 3eax h LYS 239 CO 0.59 -0.09 -0.49 0.16 -2.06 0.00 0.00 179.45 177.56 3eax s ASP 240 N -3.76 5.61 0.42 0.86 3.84 -1.26 -4.96 116.67 117.42 3eax s ASP 240 Ca -0.06 -1.38 0.18 0.00 -0.00 0.00 0.00 52.55 51.29 3eax s ASP 240 Cb 0.04 -1.98 1.09 0.00 -1.38 0.00 0.00 42.92 40.69 3eax s ASP 240 CO 0.26 -0.49 1.85 -0.65 -0.00 0.00 0.00 175.17 176.14 3eax h PRO 241 N 8.39 0.39 0.00 2.11 0.11 -1.77 -0.26 132.00 140.96 3eax h PRO 241 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3eax h PRO 241 Cb 1.09 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3eax h PRO 241 CO 0.72 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 3eax n SER 242 N -4.52 0.00 0.11 -2.05 3.41 -1.26 -2.26 113.62 107.05 3eax n SER 242 Ca 0.20 -0.52 0.12 0.00 -0.26 0.00 0.00 58.87 58.42 3eax n SER 242 Cb 0.72 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.94 3eax n SER 242 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3eax h SER 243 N 0.00 0.00 -2.50 4.04 4.64 -1.46 -3.45 113.55 114.82 3eax h SER 243 Ca 0.00 -0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.70 3eax h SER 243 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3eax h SER 243 CO 0.00 0.03 1.20 -0.69 -0.87 0.00 0.00 176.83 176.51 3eax s VAL 244 N -3.16 3.38 -0.48 0.95 1.01 -0.96 -4.96 120.40 116.18 3eax s VAL 244 Ca 0.08 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 3eax s VAL 244 Cb 0.11 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.25 3eax s VAL 244 CO 0.66 -0.11 0.37 -0.62 0.00 0.00 0.00 175.10 175.40 3eax s ASP 245 N 4.71 5.88 0.22 3.32 -1.08 -1.26 -4.90 116.67 123.56 3eax s ASP 245 Ca 0.81 -1.69 -0.09 0.00 -0.52 0.00 0.00 52.55 51.06 3eax s ASP 245 Cb -0.33 -2.08 0.34 0.00 -1.46 0.00 0.00 42.92 39.38 3eax s ASP 245 CO 0.34 -0.69 1.66 0.40 0.52 0.00 0.00 175.17 177.39 3eax h ILE 246 N 6.00 0.47 -0.93 4.11 5.03 -1.99 0.74 117.51 130.92 3eax h ILE 246 Ca -0.25 -0.05 0.04 0.00 -0.12 0.00 0.00 64.86 64.48 3eax h ILE 246 Cb 1.09 0.32 -0.06 0.00 -3.03 0.00 0.00 36.82 35.14 3eax h ILE 246 CO 0.89 0.02 0.61 0.11 -0.68 0.00 0.00 178.15 179.09 3eax h LYS 247 N 0.13 1.13 -0.34 2.37 1.57 -1.99 0.10 116.57 119.55 3eax h LYS 247 Ca 0.35 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3eax h LYS 247 Cb 0.58 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3eax h LYS 247 CO -0.55 0.75 0.06 0.87 -0.57 0.00 0.00 179.45 180.01 3eax h LYS 248 N 1.16 0.55 -0.43 3.15 1.79 -1.35 -1.18 116.57 120.26 3eax h LYS 248 Ca 0.38 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 3eax h LYS 248 Cb 0.03 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3eax h LYS 248 CO -0.13 0.63 0.20 0.28 -1.08 0.00 0.00 179.45 179.34 3eax h VAL 249 N 0.39 1.19 -0.62 0.50 2.07 -0.52 -1.08 116.25 118.17 3eax h VAL 249 Ca 0.10 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3eax h VAL 249 Cb 0.33 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3eax h VAL 249 CO 0.00 0.21 0.39 0.25 0.02 0.00 0.00 177.57 178.44 3eax h LEU 250 N 0.56 0.64 -0.83 2.57 5.85 -0.66 0.31 115.31 123.75 3eax h LEU 250 Ca 0.15 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3eax h LEU 250 Cb 0.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3eax h LEU 250 CO -0.02 0.45 0.38 -0.07 -0.34 0.00 0.00 178.44 178.84 3eax h LEU 251 N 0.77 1.10 -0.68 2.25 -0.00 -0.97 0.76 115.31 118.54 3eax h LEU 251 Ca 0.25 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 3eax h LEU 251 Cb -0.00 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.34 3eax h LEU 251 CO -0.09 0.94 0.40 -0.08 -0.00 0.00 0.00 178.44 179.60 3eax h GLU 252 N 1.19 0.94 -0.49 1.13 4.57 -0.28 -2.64 114.58 119.00 3eax h GLU 252 Ca 0.28 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 3eax h GLU 252 Cb 0.15 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3eax h GLU 252 CO -0.03 0.69 -0.19 0.52 -1.18 0.00 0.00 179.01 178.81 3eax h MET 253 N 0.93 0.99 0.00 1.92 2.86 -0.38 -2.80 114.93 118.46 3eax h MET 253 Ca 0.24 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3eax h MET 253 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3eax h MET 253 CO -0.04 1.09 0.00 0.54 1.06 0.00 0.00 176.91 179.56 3eax n ARG 254 N -4.13 0.01 0.16 1.72 1.74 0.21 -0.47 116.66 115.89 3eax n ARG 254 Ca 0.00 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.60 3eax n ARG 254 Cb 0.45 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.78 3eax n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3eax h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.36 -3.30 116.57 119.04 3eax h LYS 255 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3eax h LYS 255 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3eax h LYS 255 CO 0.00 0.00 -1.94 1.19 -0.57 0.00 0.00 179.45 178.13 3eax n PHE 256 N -2.57 0.00 -3.65 -1.35 3.72 0.38 -4.96 117.46 109.02 3eax n PHE 256 Ca 0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.30 3eax n PHE 256 Cb 0.40 -0.60 -0.08 0.00 -0.94 0.00 0.00 39.48 38.26 3eax n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3eax s ARG 257 N -2.74 0.76 0.78 -1.08 3.52 -1.19 -4.53 118.95 114.47 3eax s ARG 257 Ca -0.07 0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 56.32 3eax s ARG 257 Cb 0.07 0.37 0.06 0.00 -1.56 0.00 0.00 34.95 33.89 3eax s ARG 257 CO 0.67 -0.09 1.12 0.00 -0.81 0.00 0.00 175.30 176.19 3eax s MET 258 N 0.37 2.26 0.00 5.12 0.23 -1.26 -4.31 119.30 121.70 3eax s MET 258 Ca -0.00 0.42 0.00 0.00 -1.03 0.00 0.00 55.69 55.08 3eax s MET 258 Cb -0.05 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 3eax s MET 258 CO 0.01 -1.45 0.00 0.41 -2.03 0.00 0.00 175.02 171.95 3eax n GLY 259 N -2.71 1.79 3.68 3.16 0.00 -1.26 -4.88 105.19 104.97 3eax n GLY 259 Ca 0.07 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.46 3eax n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3eax n LEU 260 N 0.00 1.24 -1.95 0.99 4.77 -1.26 -3.22 117.00 117.57 3eax n LEU 260 Ca 0.00 1.16 -0.02 0.00 -0.03 0.00 0.00 56.01 57.11 3eax n LEU 260 Cb 0.00 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 3eax n LEU 260 CO 0.00 -0.98 -0.27 -0.38 -1.33 0.00 0.00 177.39 174.43 3eax n ILE 261 N 3.52 -7.01 0.10 -0.08 2.08 -0.74 -4.94 119.36 112.29 3eax n ILE 261 Ca 0.27 1.12 0.04 0.00 0.56 0.00 0.00 62.75 64.74 3eax n ILE 261 Cb 0.02 -4.81 -0.00 0.00 -0.75 0.00 0.00 39.64 34.10 3eax n ILE 261 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3eax h GLN 262 N 1.64 0.00 -4.83 0.38 1.08 -1.79 -3.48 115.11 108.11 3eax h GLN 262 Ca -0.22 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.68 3eax h GLN 262 Cb 0.49 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.77 3eax h GLN 262 CO 0.01 0.28 -0.66 0.95 -0.95 0.00 0.00 178.83 178.46 3eax s THR 263 N -3.05 0.69 0.40 -0.54 -4.23 -1.26 -5.02 115.64 102.63 3eax s THR 263 Ca 0.01 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.68 3eax s THR 263 Cb 0.08 -2.19 0.15 0.00 1.34 0.00 0.00 72.50 71.88 3eax s THR 263 CO 0.77 -0.41 1.91 0.00 -0.54 0.00 0.00 174.62 176.35 3eax h ALA 264 N 2.64 1.50 -0.18 3.99 0.00 -1.92 -1.80 119.26 123.50 3eax h ALA 264 Ca -0.37 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3eax h ALA 264 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3eax h ALA 264 CO 0.62 0.34 -0.39 -0.44 0.00 0.00 0.00 179.25 179.38 3eax h ASP 265 N 0.00 0.43 -0.18 0.00 3.32 -1.95 -1.70 116.42 116.34 3eax h ASP 265 Ca -0.00 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 3eax h ASP 265 Cb 0.49 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3eax h ASP 265 CO 0.04 0.78 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.34 3eax h GLN 266 N 0.34 0.71 -0.21 3.56 4.15 -1.75 -1.34 115.11 120.57 3eax h GLN 266 Ca 0.03 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 3eax h GLN 266 Cb 0.84 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 3eax h GLN 266 CO 0.07 0.97 0.06 1.25 -1.93 0.00 0.00 178.83 179.25 3eax h LEU 267 N 0.58 0.31 -0.56 -2.39 5.85 -1.15 0.35 115.31 118.30 3eax h LEU 267 Ca 0.05 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3eax h LEU 267 Cb 0.92 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3eax h LEU 267 CO 0.08 0.44 0.34 -0.09 -0.34 0.00 0.00 178.44 178.87 3eax h ARG 268 N 0.16 0.65 -0.78 1.25 2.43 -1.19 -1.11 114.38 115.80 3eax h ARG 268 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3eax h ARG 268 Cb 0.25 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3eax h ARG 268 CO -0.00 0.43 0.43 0.35 -1.51 0.00 0.00 179.97 179.67 3eax h PHE 269 N 0.67 1.05 -0.32 2.20 3.04 -0.96 -0.11 116.94 122.52 3eax h PHE 269 Ca 0.23 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.16 3eax h PHE 269 Cb 0.03 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.18 3eax h PHE 269 CO -0.06 0.72 0.19 0.77 -2.02 0.00 0.00 178.31 177.91 3eax h SER 270 N 1.08 0.38 -0.35 0.41 0.02 0.15 0.21 113.55 115.46 3eax h SER 270 Ca 0.28 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3eax h SER 270 Cb 0.01 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3eax h SER 270 CO -0.05 0.33 0.15 1.88 -1.14 0.00 0.00 176.83 178.01 3eax h TYR 271 N 0.40 0.28 -0.83 3.45 -1.99 -0.64 -0.74 116.97 116.90 3eax h TYR 271 Ca 0.11 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.90 3eax h TYR 271 Cb 0.02 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 38.63 3eax h TYR 271 CO -0.04 0.14 0.53 1.25 -0.00 0.00 0.00 178.16 180.04 3eax h LEU 272 N 0.32 0.86 -0.18 3.88 5.85 -0.42 0.30 115.31 125.92 3eax h LEU 272 Ca 0.15 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3eax h LEU 272 Cb 0.09 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3eax h LEU 272 CO -0.13 0.58 -0.08 0.00 -0.34 0.00 0.00 178.44 178.47 3eax h ALA 273 N 1.36 0.25 -0.52 1.25 0.00 -0.08 -1.63 119.26 119.88 3eax h ALA 273 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3eax h ALA 273 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3eax h ALA 273 CO -0.13 0.06 0.28 0.28 0.00 0.00 0.00 179.25 179.74 3eax h VAL 274 N 0.06 1.18 0.24 0.00 2.07 -0.86 0.43 116.25 119.38 3eax h VAL 274 Ca 0.04 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3eax h VAL 274 Cb 0.56 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3eax h VAL 274 CO 0.03 0.20 -0.12 0.40 0.02 0.00 0.00 177.57 178.10 3eax h ILE 275 N 0.70 0.78 -0.42 4.57 2.04 -0.93 0.69 117.51 124.94 3eax h ILE 275 Ca 0.18 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 3eax h ILE 275 Cb 0.07 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3eax h ILE 275 CO -0.03 0.02 -0.08 -0.08 0.00 0.00 0.00 178.15 177.98 3eax h GLU 276 N -0.37 0.73 -0.06 2.37 4.57 -1.18 -2.70 114.58 117.93 3eax h GLU 276 Ca -0.03 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 57.82 3eax h GLU 276 Cb 0.28 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3eax h GLU 276 CO 0.05 0.80 -0.46 0.78 -1.18 0.00 0.00 179.01 179.00 3eax h GLY 277 N 0.97 0.14 1.64 1.92 0.00 0.07 -2.76 103.07 105.05 3eax h GLY 277 Ca 0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 3eax h GLY 277 CO 0.03 0.13 -0.37 0.00 0.00 0.00 0.00 176.54 176.33 3eax h ALA 278 N 1.42 1.02 -0.21 3.60 0.00 -0.55 -1.38 119.26 123.15 3eax h ALA 278 Ca 0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3eax h ALA 278 Cb 0.86 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3eax h ALA 278 CO 0.07 0.60 -0.28 0.87 0.00 0.00 0.00 179.25 180.50 3eax h LYS 279 N 0.34 0.41 0.11 0.00 1.57 -1.23 -0.85 116.57 116.93 3eax h LYS 279 Ca 0.04 -0.16 -0.29 0.00 -1.87 0.00 0.00 60.65 58.36 3eax h LYS 279 Cb 0.81 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.13 3eax h LYS 279 CO 0.07 0.67 -1.23 0.35 -0.57 0.00 0.00 179.45 178.73 3eax h PHE 280 N 0.36 0.97 0.10 -1.35 3.57 -1.28 -1.62 116.94 117.69 3eax h PHE 280 Ca 0.05 -0.61 -0.00 0.00 3.53 0.00 0.00 57.97 60.94 3eax h PHE 280 Cb 0.69 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3eax h PHE 280 CO 0.02 1.45 -0.05 0.82 -2.23 0.00 0.00 178.31 178.32 3eax h ILE 281 N 0.27 1.13 -0.11 1.41 2.04 -1.17 -3.37 117.51 117.70 3eax h ILE 281 Ca -0.18 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 3eax h ILE 281 Cb 1.90 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 3eax h ILE 281 CO 0.23 0.28 -0.35 0.23 0.00 0.00 0.00 178.15 178.55 3eax n MET 282 N -4.88 1.67 -0.17 2.37 2.81 -0.33 -5.10 117.12 113.49 3eax n MET 282 Ca -0.08 -3.25 0.00 0.00 -1.81 0.00 0.00 57.70 52.56 3eax n MET 282 Cb 0.28 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3eax n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89