#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubs h GLU 2 N 0.00 -0.20 -1.21 0.03 4.11 -1.92 -1.98 114.58 113.41 1ubs h GLU 2 Ca 0.00 0.01 0.36 0.00 0.07 0.00 0.00 59.36 59.80 1ubs h GLU 2 Cb 0.00 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 1ubs h GLU 2 CO 0.00 -0.13 0.79 0.00 0.07 0.00 0.00 179.01 179.73 1ubs h ARG 3 N -0.21 0.20 0.12 1.06 3.08 -1.97 -0.60 114.38 116.06 1ubs h ARG 3 Ca 0.19 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1ubs h ARG 3 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ubs h ARG 3 CO -0.70 0.13 -0.06 1.88 -1.07 0.00 0.00 179.97 180.16 1ubs h TYR 4 N 0.21 -0.15 -0.47 3.04 0.05 -1.73 -1.81 116.97 116.10 1ubs h TYR 4 Ca 0.71 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.58 1ubs h TYR 4 Cb 2.13 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 39.82 1ubs h TYR 4 CO -0.00 0.29 -0.23 1.49 -1.05 0.00 0.00 178.16 178.66 1ubs h GLU 5 N -0.67 -0.12 -0.17 4.88 4.81 -1.10 0.11 114.58 122.31 1ubs h GLU 5 Ca -0.02 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1ubs h GLU 5 Cb 0.51 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ubs h GLU 5 CO 0.03 -0.08 0.09 -0.91 -0.73 0.00 0.00 179.01 177.40 1ubs h ASN 6 N -0.13 0.13 -0.02 1.04 4.21 -1.33 -1.03 115.58 118.45 1ubs h ASN 6 Ca 0.22 0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.75 1ubs h ASN 6 Cb 0.47 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1ubs h ASN 6 CO -0.55 0.10 -0.06 0.25 -1.29 0.00 0.00 177.43 175.89 1ubs h LEU 7 N 0.19 -0.16 -1.82 1.61 5.85 -0.40 -1.40 115.31 119.17 1ubs h LEU 7 Ca 0.07 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1ubs h LEU 7 Cb 0.01 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1ubs h LEU 7 CO -0.04 -0.08 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.60 1ubs h PHE 8 N -0.09 0.00 -0.18 1.25 0.04 -0.66 -1.34 116.94 115.97 1ubs h PHE 8 Ca 0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 1ubs h PHE 8 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1ubs h PHE 8 CO -0.14 0.12 -0.22 0.00 -0.60 0.00 0.00 178.31 177.47 1ubs h ALA 9 N 1.88 0.27 -0.09 2.45 0.00 -0.60 -3.00 119.26 120.16 1ubs h ALA 9 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ubs h ALA 9 Cb 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ubs h ALA 9 CO 0.02 0.22 0.02 1.96 0.00 0.00 0.00 179.25 181.46 1ubs h GLN 10 N 0.11 0.15 -0.94 0.00 4.20 -0.57 -2.97 115.11 115.09 1ubs h GLN 10 Ca 0.02 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.84 1ubs h GLN 10 Cb 0.78 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.46 1ubs h GLN 10 CO 0.05 0.34 0.60 -0.07 -0.67 0.00 0.00 178.83 179.08 1ubs h LEU 11 N -0.06 0.75 -0.40 1.46 3.38 -1.33 -2.15 115.31 116.96 1ubs h LEU 11 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ubs h LEU 11 Cb 0.26 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1ubs h LEU 11 CO 0.00 0.37 0.18 -1.13 0.09 0.00 0.00 178.44 177.94 1ubs h ASN 12 N 0.79 0.54 0.39 -0.43 -0.73 -1.44 -1.02 115.58 113.67 1ubs h ASN 12 Ca 0.48 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1ubs h ASN 12 Cb 0.69 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.14 1ubs h ASN 12 CO -0.25 0.54 0.00 0.47 -0.37 0.00 0.00 177.43 177.82 1ubs n ASP 13 N -4.67 0.00 -1.30 1.15 8.00 -0.83 -1.57 116.55 117.34 1ubs n ASP 13 Ca -0.00 0.48 0.04 0.00 0.71 0.00 0.00 54.79 56.02 1ubs n ASP 13 Cb 0.13 -0.49 0.08 0.00 -0.02 0.00 0.00 41.12 40.82 1ubs n ASP 13 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ubs n ARG 14 N -1.49 0.72 -0.95 -1.24 3.00 -0.95 -5.03 116.66 110.72 1ubs n ARG 14 Ca 0.03 -2.57 0.00 0.00 -0.01 0.00 0.00 57.85 55.30 1ubs n ARG 14 Cb 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 32.46 31.91 1ubs n ARG 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ubs n ARG 15 N -0.12 0.00 -3.74 5.56 1.74 -0.53 -4.90 116.66 114.67 1ubs n ARG 15 Ca 0.11 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.06 1ubs n ARG 15 Cb 0.98 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.34 1ubs n ARG 15 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1ubs s GLU 16 N -0.25 0.73 0.48 5.56 -1.05 -0.50 -4.77 118.70 118.90 1ubs s GLU 16 Ca 0.00 -0.24 -0.02 0.00 -0.15 0.00 0.00 54.97 54.56 1ubs s GLU 16 Cb 0.00 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1ubs s GLU 16 CO 0.00 -0.21 0.73 0.20 0.95 0.00 0.00 175.26 176.93 1ubs s GLY 17 N -1.50 1.55 -0.03 -3.83 0.00 0.42 -4.43 107.32 99.50 1ubs s GLY 17 Ca -0.11 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 1ubs s GLY 17 CO 0.03 -0.70 0.50 0.00 0.00 0.00 0.00 173.10 172.93 1ubs s ALA 18 N -2.67 3.55 -0.29 3.20 0.00 -0.44 -4.62 121.76 120.48 1ubs s ALA 18 Ca 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 1ubs s ALA 18 Cb -0.10 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1ubs s ALA 18 CO 0.40 0.22 0.08 0.12 0.00 0.00 0.00 175.76 176.58 1ubs s PHE 19 N -0.26 3.14 -0.26 0.00 5.36 -1.26 -0.81 117.98 123.90 1ubs s PHE 19 Ca 0.27 -0.99 0.03 0.00 -0.96 0.00 0.00 56.93 55.28 1ubs s PHE 19 Cb -0.17 -2.25 0.06 0.00 -0.34 0.00 0.00 43.02 40.32 1ubs s PHE 19 CO 0.14 -0.58 -0.09 0.08 -1.46 0.00 0.00 175.22 173.31 1ubs s VAL 20 N 1.50 2.05 0.39 3.12 1.01 -0.09 -1.20 120.40 127.17 1ubs s VAL 20 Ca 0.03 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.19 1ubs s VAL 20 Cb -0.17 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 1ubs s VAL 20 CO 0.02 -0.06 0.99 -2.16 0.00 0.00 0.00 175.10 173.89 1ubs s PRO 21 N 1.15 4.28 -0.09 2.72 0.05 -1.26 -0.76 135.00 141.10 1ubs s PRO 21 Ca -0.08 1.32 0.01 0.00 0.05 0.00 0.00 61.00 62.30 1ubs s PRO 21 Cb -0.20 -2.46 -0.02 0.00 0.05 0.00 0.00 34.50 31.86 1ubs s PRO 21 CO -0.05 -0.01 -0.10 0.12 0.05 0.00 0.00 177.00 177.01 1ubs s PHE 22 N -1.84 2.85 0.04 0.56 2.19 -0.95 -2.39 117.98 118.45 1ubs s PHE 22 Ca 0.58 -0.23 -0.08 0.00 0.33 0.00 0.00 56.93 57.53 1ubs s PHE 22 Cb -0.16 -1.75 -0.00 0.00 -1.31 0.00 0.00 43.02 39.79 1ubs s PHE 22 CO 0.21 0.11 0.16 0.54 1.83 0.00 0.00 175.22 178.07 1ubs s VAL 23 N -0.36 0.12 -0.22 3.12 0.11 -1.00 -4.49 120.40 117.68 1ubs s VAL 23 Ca 0.04 -0.99 -0.11 0.00 -2.93 0.00 0.00 61.98 57.99 1ubs s VAL 23 Cb -0.12 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1ubs s VAL 23 CO 0.02 -0.55 0.17 -0.89 -3.33 0.00 0.00 175.10 170.52 1ubs s THR 24 N -2.70 5.37 0.31 5.04 2.01 -1.26 -2.16 115.64 122.24 1ubs s THR 24 Ca -0.04 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1ubs s THR 24 Cb -0.00 -3.50 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 1ubs s THR 24 CO -0.05 0.37 1.48 -0.76 -0.69 0.00 0.00 174.62 174.97 1ubs s LEU 25 N 0.86 4.36 -0.87 4.42 1.43 -0.16 -2.50 118.68 126.22 1ubs s LEU 25 Ca 0.08 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 1ubs s LEU 25 Cb -0.13 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1ubs s LEU 25 CO 0.03 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1ubs n GLY 26 N 1.54 0.89 3.53 -3.19 0.00 -1.26 -4.72 105.19 101.98 1ubs n GLY 26 Ca 0.05 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1ubs n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubs s ASP 27 N -2.87 5.50 0.00 1.61 2.15 -1.04 -2.03 116.67 119.98 1ubs s ASP 27 Ca 0.00 -0.09 0.27 0.00 0.43 0.00 0.00 52.55 53.16 1ubs s ASP 27 Cb 0.00 -1.99 0.93 0.00 -0.30 0.00 0.00 42.92 41.56 1ubs s ASP 27 CO 0.00 -0.00 1.68 -0.81 -0.17 0.00 0.00 175.17 175.86 1ubs n PRO 28 N 4.71 1.67 -3.76 4.34 -0.04 -1.26 -4.23 135.00 136.43 1ubs n PRO 28 Ca -0.16 -1.03 -0.04 0.00 -0.04 0.00 0.00 63.50 62.23 1ubs n PRO 28 Cb 0.52 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1ubs n PRO 28 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ubs s GLY 29 N -2.04 -0.22 0.04 0.55 0.00 -0.86 -4.72 107.32 100.08 1ubs s GLY 29 Ca 0.36 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.87 1ubs s GLY 29 CO 0.35 -0.00 1.41 -2.22 0.00 0.00 0.00 173.10 172.63 1ubs h ILE 30 N 2.00 0.00 -0.69 0.90 2.04 -1.92 -0.13 117.51 119.71 1ubs h ILE 30 Ca -0.23 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ubs h ILE 30 Cb 1.24 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1ubs h ILE 30 CO 0.25 0.00 0.43 1.05 0.00 0.00 0.00 178.15 179.89 1ubs h GLU 31 N -1.02 0.93 -0.17 2.37 9.09 -1.98 -1.51 114.58 122.29 1ubs h GLU 31 Ca -0.10 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.19 1ubs h GLU 31 Cb 0.77 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 1ubs h GLU 31 CO 0.17 0.65 -0.09 0.37 0.05 0.00 0.00 179.01 180.15 1ubs h GLN 32 N 0.94 0.26 0.11 1.06 5.75 -1.93 -1.01 115.11 120.29 1ubs h GLN 32 Ca 0.25 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1ubs h GLN 32 Cb -0.06 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.45 1ubs h GLN 32 CO -0.05 0.37 -0.05 1.03 -2.65 0.00 0.00 178.83 177.47 1ubs h SER 33 N 0.25 -0.13 -0.76 -0.69 0.87 -0.28 0.11 113.55 112.92 1ubs h SER 33 Ca 0.05 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1ubs h SER 33 Cb 0.33 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1ubs h SER 33 CO 0.02 0.18 0.48 -0.07 -0.53 0.00 0.00 176.83 176.90 1ubs h LEU 34 N -0.44 0.89 -0.66 2.23 3.38 -0.90 -0.50 115.31 119.32 1ubs h LEU 34 Ca -0.02 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ubs h LEU 34 Cb 0.36 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1ubs h LEU 34 CO 0.03 0.67 0.42 0.11 0.09 0.00 0.00 178.44 179.76 1ubs h LYS 35 N 1.03 0.80 -0.44 1.13 6.56 -1.11 -2.01 116.57 122.54 1ubs h LYS 35 Ca 0.27 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.79 1ubs h LYS 35 Cb -0.07 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.39 1ubs h LYS 35 CO -0.06 0.53 0.18 0.82 -2.06 0.00 0.00 179.45 178.86 1ubs h ILE 36 N 0.83 1.20 -0.28 1.86 2.04 0.65 -3.02 117.51 120.79 1ubs h ILE 36 Ca 0.26 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1ubs h ILE 36 Cb -0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ubs h ILE 36 CO -0.09 0.23 -0.11 0.40 0.00 0.00 0.00 178.15 178.57 1ubs h ILE 37 N 0.56 1.22 -0.05 -0.67 2.04 -0.83 -2.51 117.51 117.27 1ubs h ILE 37 Ca 0.15 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1ubs h ILE 37 Cb 0.18 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1ubs h ILE 37 CO -0.01 0.31 -0.36 0.44 0.00 0.00 0.00 178.15 178.53 1ubs h ASP 38 N 0.43 0.10 0.07 1.72 3.32 -1.31 -2.54 116.42 118.20 1ubs h ASP 38 Ca 0.08 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 1ubs h ASP 38 Cb 0.45 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ubs h ASP 38 CO 0.03 0.46 -0.78 0.74 -1.72 0.00 0.00 179.24 177.96 1ubs h THR 39 N 0.08 1.33 -0.38 0.35 2.02 -1.37 -1.32 112.91 113.62 1ubs h THR 39 Ca 0.01 -2.09 -0.06 0.00 0.77 0.00 0.00 66.41 65.04 1ubs h THR 39 Cb 0.69 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1ubs h THR 39 CO 0.05 0.64 0.02 -0.07 0.37 0.00 0.00 175.52 176.54 1ubs h LEU 40 N 0.40 0.65 0.15 2.58 3.38 -1.28 0.24 115.31 121.43 1ubs h LEU 40 Ca -0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1ubs h LEU 40 Cb 1.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ubs h LEU 40 CO 0.15 0.78 -0.07 0.40 0.09 0.00 0.00 178.44 179.78 1ubs h ILE 41 N 0.49 0.98 -0.54 1.22 2.04 -1.49 0.32 117.51 120.54 1ubs h ILE 41 Ca 0.11 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1ubs h ILE 41 Cb 0.43 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1ubs h ILE 41 CO 0.02 0.15 0.25 -0.78 0.00 0.00 0.00 178.15 177.79 1ubs h ASP 42 N -0.51 0.34 0.73 1.72 3.58 -1.23 -0.14 116.42 120.91 1ubs h ASP 42 Ca -0.02 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ubs h ASP 42 Cb 0.40 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1ubs h ASP 42 CO 0.03 0.23 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 1ubs h ALA 43 N 1.31 1.00 0.00 -0.78 0.00 -0.51 -3.47 119.26 116.82 1ubs h ALA 43 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ubs h ALA 43 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ubs h ALA 43 CO -0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1ubs n GLY 44 N -0.11 0.65 3.72 0.00 0.00 -0.06 -3.74 105.19 105.64 1ubs n GLY 44 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ubs n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs n ALA 45 N 0.00 2.35 0.16 4.61 0.00 0.05 -4.85 120.51 122.83 1ubs n ALA 45 Ca 0.00 0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.95 1ubs n ALA 45 Cb 0.00 -2.45 0.08 0.00 0.00 0.00 0.00 19.45 17.08 1ubs n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ubs h ASP 46 N 5.47 0.00 -5.01 0.00 3.32 -1.50 -3.44 116.42 115.25 1ubs h ASP 46 Ca -0.45 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1ubs h ASP 46 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1ubs h ASP 46 CO 0.85 0.01 0.24 0.00 -1.72 0.00 0.00 179.24 178.63 1ubs s ALA 47 N -3.28 -0.88 0.07 3.45 0.00 -1.25 -4.39 121.76 115.47 1ubs s ALA 47 Ca 0.03 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1ubs s ALA 47 Cb 0.07 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1ubs s ALA 47 CO 0.73 -1.00 -0.14 -0.51 0.00 0.00 0.00 175.76 174.84 1ubs s LEU 48 N -3.02 2.26 -0.10 0.00 1.43 -0.94 -4.01 118.68 114.30 1ubs s LEU 48 Ca 0.14 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1ubs s LEU 48 Cb -0.05 -0.53 0.04 0.00 0.03 0.00 0.00 46.19 45.67 1ubs s LEU 48 CO 0.10 -0.05 0.04 -0.70 0.23 0.00 0.00 176.35 175.97 1ubs s GLU 49 N -1.63 0.30 0.02 1.70 2.12 -1.01 -1.86 118.70 118.34 1ubs s GLU 49 Ca -0.01 0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.45 1ubs s GLU 49 Cb -0.10 -1.20 -0.02 0.00 0.26 0.00 0.00 34.13 33.07 1ubs s GLU 49 CO 0.02 -0.44 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.59 1ubs s LEU 50 N 2.05 2.11 0.06 2.70 1.43 -0.67 -2.38 118.68 123.98 1ubs s LEU 50 Ca 0.03 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1ubs s LEU 50 Cb -0.14 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1ubs s LEU 50 CO -0.06 0.19 -0.05 -0.83 0.23 0.00 0.00 176.35 175.83 1ubs s GLY 51 N -0.88 1.82 -0.27 -3.19 0.00 -0.92 0.11 107.32 103.99 1ubs s GLY 51 Ca 0.07 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 1ubs s GLY 51 CO 0.01 -1.03 0.09 0.14 0.00 0.00 0.00 173.10 172.30 1ubs s VAL 52 N -1.16 4.33 0.01 1.40 1.01 -1.23 -0.99 120.40 123.79 1ubs s VAL 52 Ca 0.21 -0.29 -0.38 0.00 0.00 0.00 0.00 61.98 61.52 1ubs s VAL 52 Cb -0.11 -3.09 -0.17 0.00 0.00 0.00 0.00 36.38 33.01 1ubs s VAL 52 CO 0.13 0.25 1.39 -2.65 0.00 0.00 0.00 175.10 174.21 1ubs n PRO 53 N 4.93 1.06 -4.63 2.72 -0.02 -1.26 -4.87 135.00 132.92 1ubs n PRO 53 Ca -0.15 0.38 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 1ubs n PRO 53 Cb 0.50 -2.02 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 1ubs n PRO 53 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ubs s PHE 54 N 0.97 1.41 0.23 6.00 5.36 -1.26 -4.85 117.98 125.85 1ubs s PHE 54 Ca 0.87 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 56.48 1ubs s PHE 54 Cb -1.00 -0.88 0.22 0.00 -0.34 0.00 0.00 43.02 41.01 1ubs s PHE 54 CO 0.51 0.01 1.83 0.66 -1.46 0.00 0.00 175.22 176.76 1ubs h SER 55 N 5.44 1.08 -2.35 6.13 4.64 -1.98 -3.37 113.55 123.14 1ubs h SER 55 Ca -0.37 -0.13 -0.59 0.00 -0.47 0.00 0.00 61.79 60.23 1ubs h SER 55 Cb 1.16 -0.28 -0.41 0.00 -0.31 0.00 0.00 62.40 62.57 1ubs h SER 55 CO 0.47 0.92 -0.78 0.47 -0.87 0.00 0.00 176.83 177.04 1ubs n ASP 56 N -4.30 2.08 -3.71 4.97 9.92 -1.26 -5.01 116.55 119.23 1ubs n ASP 56 Ca 0.08 -3.05 -0.42 0.00 -0.53 0.00 0.00 54.79 50.87 1ubs n ASP 56 Cb 0.14 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 39.93 1ubs n ASP 56 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1ubs n PRO 57 N 1.50 2.11 0.00 -0.24 -0.04 -1.26 -4.70 135.00 132.37 1ubs n PRO 57 Ca 0.26 -2.21 0.01 0.00 -0.04 0.00 0.00 63.50 61.52 1ubs n PRO 57 Cb 0.44 -3.11 0.07 0.00 -0.04 0.00 0.00 33.50 30.87 1ubs n PRO 57 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1ubs n LEU 58 N 7.10 0.00 0.00 1.53 -0.00 -1.26 -0.75 117.00 123.62 1ubs n LEU 58 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1ubs n LEU 58 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1ubs n LEU 58 CO 0.97 0.00 0.27 0.00 -0.00 0.00 0.00 177.39 178.63 1ubs n ALA 59 N -0.80 1.59 -2.52 1.47 0.00 -1.26 -5.07 120.51 113.93 1ubs n ALA 59 Ca 0.02 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 1ubs n ALA 59 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ubs n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ubs s ASP 60 N -0.30 4.66 0.37 0.00 1.01 0.07 -5.15 116.67 117.34 1ubs s ASP 60 Ca 0.00 -0.78 0.07 0.00 0.71 0.00 0.00 52.55 52.55 1ubs s ASP 60 Cb 0.00 -0.72 -0.01 0.00 1.01 0.00 0.00 42.92 43.20 1ubs s ASP 60 CO 0.00 -0.30 0.41 -0.83 0.21 0.00 0.00 175.17 174.66 1ubs s GLY 61 N -3.84 1.87 0.31 0.21 0.00 -1.26 -4.89 107.32 99.71 1ubs s GLY 61 Ca 0.38 -1.67 0.08 0.00 0.00 0.00 0.00 44.72 43.50 1ubs s GLY 61 CO 0.22 -1.54 1.68 -0.56 0.00 0.00 0.00 173.10 172.90 1ubs h PRO 62 N 0.99 0.35 -0.12 2.90 0.13 -1.98 0.51 132.00 134.79 1ubs h PRO 62 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ubs h PRO 62 Cb 1.26 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ubs h PRO 62 CO 0.54 0.23 0.07 1.15 -0.23 0.00 0.00 178.00 179.77 1ubs h THR 63 N 0.36 1.03 -0.08 1.56 2.02 -1.99 0.23 112.91 116.05 1ubs h THR 63 Ca 0.62 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 67.63 1ubs h THR 63 Cb 1.28 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1ubs h THR 63 CO -0.57 0.03 -0.51 0.40 0.37 0.00 0.00 175.52 175.23 1ubs h ILE 64 N 0.15 1.35 -0.68 3.11 1.08 -1.58 -2.40 117.51 118.54 1ubs h ILE 64 Ca 0.04 -1.77 -0.06 0.00 -0.39 0.00 0.00 64.86 62.69 1ubs h ILE 64 Cb -0.02 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 1ubs h ILE 64 CO -0.01 0.52 0.20 1.56 -0.69 0.00 0.00 178.15 179.73 1ubs h GLN 65 N 0.17 1.08 0.00 2.37 4.20 0.67 -2.48 115.11 121.12 1ubs h GLN 65 Ca 0.01 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1ubs h GLN 65 Cb 0.97 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1ubs h GLN 65 CO 0.08 0.94 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.87 1ubs h ASN 66 N 1.01 0.00 -0.19 1.46 4.21 -0.42 -2.78 115.58 118.88 1ubs h ASN 66 Ca 0.22 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.69 1ubs h ASN 66 Cb 0.32 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1ubs h ASN 66 CO -0.00 0.40 -0.03 0.00 -1.29 0.00 0.00 177.43 176.51 1ubs h ALA 67 N 1.60 0.25 -0.72 -0.83 0.00 -1.03 -2.07 119.26 116.46 1ubs h ALA 67 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ubs h ALA 67 Cb 0.88 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1ubs h ALA 67 CO 0.05 0.01 0.46 -0.91 0.00 0.00 0.00 179.25 178.86 1ubs h ASN 68 N 0.07 0.85 0.16 0.00 -0.26 -1.32 -2.20 115.58 112.88 1ubs h ASN 68 Ca 0.05 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1ubs h ASN 68 Cb 0.45 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1ubs h ASN 68 CO 0.02 0.63 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.83 1ubs h LEU 69 N 0.99 -0.29 -1.37 1.61 3.38 -1.25 -0.59 115.31 117.79 1ubs h LEU 69 Ca 0.26 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ubs h LEU 69 Cb -0.08 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ubs h LEU 69 CO -0.05 -0.19 0.43 0.03 0.09 0.00 0.00 178.44 178.75 1ubs h ARG 70 N -0.28 0.84 -0.12 1.13 3.08 -1.11 0.74 114.38 118.66 1ubs h ARG 70 Ca -0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1ubs h ARG 70 Cb 0.25 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ubs h ARG 70 CO -0.00 0.56 -0.08 0.00 -1.07 0.00 0.00 179.97 179.38 1ubs h ALA 71 N 1.60 0.17 -0.39 0.04 0.00 -1.01 -1.88 119.26 117.79 1ubs h ALA 71 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ubs h ALA 71 Cb -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ubs h ALA 71 CO -0.06 -0.02 0.24 0.74 0.00 0.00 0.00 179.25 180.15 1ubs h PHE 72 N -0.10 0.45 0.00 0.00 0.04 -0.89 0.16 116.94 116.59 1ubs h PHE 72 Ca 0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1ubs h PHE 72 Cb 0.56 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1ubs h PHE 72 CO 0.07 0.27 0.00 0.00 -0.60 0.00 0.00 178.31 178.05 1ubs h ALA 73 N 1.16 1.00 0.00 2.45 0.00 -0.83 -0.13 119.26 122.92 1ubs h ALA 73 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ubs h ALA 73 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ubs h ALA 73 CO -0.06 0.00 -0.86 0.00 0.00 0.00 0.00 179.25 178.33 1ubs h ALA 74 N 2.08 0.50 0.00 0.00 0.00 0.12 -3.48 119.26 118.49 1ubs h ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubs h ALA 74 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ubs h ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ubs n GLY 75 N 1.27 0.88 3.76 0.00 0.00 -0.06 -4.92 105.19 106.12 1ubs n GLY 75 Ca 0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ubs n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubs s VAL 76 N -2.00 2.99 0.15 1.61 1.01 -0.52 -4.99 120.40 118.64 1ubs s VAL 76 Ca 0.00 0.95 0.04 0.00 0.00 0.00 0.00 61.98 62.97 1ubs s VAL 76 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1ubs s VAL 76 CO 0.00 0.21 -0.07 0.42 0.00 0.00 0.00 175.10 175.66 1ubs s THR 77 N -0.88 1.00 0.23 3.92 -4.23 -1.26 -4.61 115.64 109.81 1ubs s THR 77 Ca 0.50 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 1ubs s THR 77 Cb -0.37 -1.89 0.19 0.00 1.34 0.00 0.00 72.50 71.76 1ubs s THR 77 CO 0.47 -0.70 1.72 -0.65 -0.54 0.00 0.00 174.62 174.93 1ubs h PRO 78 N 2.78 0.37 -0.83 3.99 0.11 -1.95 -0.36 132.00 136.10 1ubs h PRO 78 Ca -0.36 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.76 1ubs h PRO 78 Cb 1.19 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1ubs h PRO 78 CO 0.64 0.24 0.52 0.00 -0.21 0.00 0.00 178.00 179.19 1ubs h ALA 79 N 1.50 1.10 0.00 -0.75 0.00 -2.00 0.85 119.26 119.97 1ubs h ALA 79 Ca 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ubs h ALA 79 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ubs h ALA 79 CO -0.39 0.32 -0.23 1.96 0.00 0.00 0.00 179.25 180.91 1ubs h GLN 80 N 1.00 0.00 -0.12 0.00 4.20 -1.63 -2.79 115.11 115.76 1ubs h GLN 80 Ca 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1ubs h GLN 80 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1ubs h GLN 80 CO -0.13 0.23 -0.05 0.00 -0.67 0.00 0.00 178.83 178.21 1ubs h PHE 82 N -0.08 0.00 -0.11 0.00 0.04 -1.06 0.02 116.94 115.75 1ubs h PHE 82 Ca 0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 1ubs h PHE 82 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1ubs h PHE 82 CO 0.06 0.08 -0.35 0.93 -0.60 0.00 0.00 178.31 178.44 1ubs h GLU 83 N 0.00 0.42 -0.66 1.51 5.08 -1.38 -2.42 114.58 117.14 1ubs h GLU 83 Ca -0.00 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1ubs h GLU 83 Cb 0.17 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1ubs h GLU 83 CO 0.01 0.94 0.27 0.52 -1.00 0.00 0.00 179.01 179.75 1ubs h MET 84 N -0.01 0.98 -0.76 2.33 2.86 -1.09 -2.46 114.93 116.79 1ubs h MET 84 Ca -0.01 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1ubs h MET 84 Cb 0.97 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 1ubs h MET 84 CO 0.07 0.81 0.39 -0.07 1.06 0.00 0.00 176.91 179.18 1ubs h LEU 85 N 0.93 0.96 -1.06 1.22 3.38 -0.96 -1.25 115.31 118.53 1ubs h LEU 85 Ca 0.22 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1ubs h LEU 85 Cb 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ubs h LEU 85 CO -0.02 0.79 -0.33 0.00 0.09 0.00 0.00 178.44 178.97 1ubs h ALA 86 N 1.36 1.21 -0.11 1.53 0.00 -1.05 -2.33 119.26 119.86 1ubs h ALA 86 Ca 0.26 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ubs h ALA 86 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ubs h ALA 86 CO -0.04 0.53 -0.30 -0.07 0.00 0.00 0.00 179.25 179.37 1ubs h LEU 87 N 0.22 0.46 -0.25 0.00 3.38 -0.95 -2.51 115.31 115.66 1ubs h LEU 87 Ca 0.03 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.46 1ubs h LEU 87 Cb 0.70 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1ubs h LEU 87 CO 0.05 0.96 -0.03 0.40 0.09 0.00 0.00 178.44 179.92 1ubs h ILE 88 N -0.02 0.79 -1.00 1.22 2.04 -1.11 -2.42 117.51 117.01 1ubs h ILE 88 Ca -0.00 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1ubs h ILE 88 Cb 0.91 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1ubs h ILE 88 CO 0.06 0.01 0.64 -0.09 0.00 0.00 0.00 178.15 178.77 1ubs h ARG 89 N 0.04 1.13 0.00 2.37 9.65 -1.46 0.29 114.38 126.40 1ubs h ARG 89 Ca 0.12 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 1ubs h ARG 89 Cb 0.17 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1ubs h ARG 89 CO -0.22 0.75 -0.27 1.49 2.80 0.00 0.00 179.97 184.52 1ubs h GLU 90 N 1.17 0.00 0.00 0.20 4.81 -1.00 -2.78 114.58 116.97 1ubs h GLU 90 Ca 0.43 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.43 1ubs h GLU 90 Cb 0.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1ubs h GLU 90 CO -0.17 0.27 -1.73 1.63 -0.73 0.00 0.00 179.01 178.27 1ubs n LYS 91 N -4.07 0.64 -3.62 1.92 5.02 -0.78 -4.74 118.16 112.54 1ubs n LYS 91 Ca -0.02 0.17 -0.29 0.00 -2.02 0.00 0.00 58.31 56.16 1ubs n LYS 91 Cb 0.33 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.49 1ubs n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ubs s HIS 92 N -2.78 1.76 0.33 2.13 3.76 0.02 -4.98 115.29 115.53 1ubs s HIS 92 Ca -0.05 -2.38 0.24 0.00 -0.15 0.00 0.00 55.06 52.72 1ubs s HIS 92 Cb 0.08 -1.59 1.17 0.00 1.11 0.00 0.00 32.58 33.35 1ubs s HIS 92 CO 0.83 -0.77 1.96 -1.00 -0.85 0.00 0.00 174.74 174.91 1ubs h PRO 93 N 6.35 0.00 0.00 8.40 0.13 -1.80 -3.33 132.00 141.75 1ubs h PRO 93 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1ubs h PRO 93 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1ubs h PRO 93 CO 0.45 0.20 -2.03 0.25 -0.23 0.00 0.00 178.00 176.63 1ubs n THR 94 N -3.66 0.49 -2.01 1.56 -2.24 -1.26 -4.98 114.28 102.18 1ubs n THR 94 Ca -0.01 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 1ubs n THR 94 Cb 0.32 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1ubs n THR 94 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ubs s ILE 95 N -2.99 2.85 0.24 2.28 2.07 -1.25 -4.91 121.20 119.48 1ubs s ILE 95 Ca -0.08 0.60 -0.30 0.00 -1.41 0.00 0.00 60.65 59.46 1ubs s ILE 95 Cb 0.10 -3.38 -0.10 0.00 0.13 0.00 0.00 42.46 39.21 1ubs s ILE 95 CO 0.78 0.04 1.40 -2.84 -1.91 0.00 0.00 174.94 172.41 1ubs s PRO 96 N 1.20 4.31 -0.14 3.50 0.02 -1.26 -4.95 135.00 137.67 1ubs s PRO 96 Ca 0.68 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.95 1ubs s PRO 96 Cb -0.41 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 30.99 1ubs s PRO 96 CO 0.31 -0.36 -0.21 0.42 -0.33 0.00 0.00 177.00 176.83 1ubs s ILE 97 N -0.01 1.99 0.11 2.83 1.01 -1.26 -2.21 121.20 123.66 1ubs s ILE 97 Ca 0.58 -0.93 0.10 0.00 0.00 0.00 0.00 60.65 60.40 1ubs s ILE 97 Cb -0.40 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1ubs s ILE 97 CO 0.42 0.54 -0.25 -0.83 0.00 0.00 0.00 174.94 174.81 1ubs s GLY 98 N 0.94 1.57 0.00 6.18 0.00 -0.78 0.19 107.32 115.42 1ubs s GLY 98 Ca -0.04 -1.41 0.06 0.00 0.00 0.00 0.00 44.72 43.33 1ubs s GLY 98 CO -0.04 -1.37 -0.18 1.08 0.00 0.00 0.00 173.10 172.58 1ubs s LEU 99 N -1.91 2.56 -0.28 0.66 1.43 -0.13 -1.66 118.68 119.35 1ubs s LEU 99 Ca 0.14 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1ubs s LEU 99 Cb -0.10 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1ubs s LEU 99 CO 0.06 0.29 0.04 -0.22 0.23 0.00 0.00 176.35 176.76 1ubs s LEU 100 N -1.09 3.68 0.33 1.79 2.96 0.12 -0.58 118.68 125.88 1ubs s LEU 100 Ca 0.13 -0.75 0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1ubs s LEU 100 Cb -0.10 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.70 1ubs s LEU 100 CO 0.03 -0.17 -0.02 -0.04 -1.32 0.00 0.00 176.35 174.82 1ubs s MET 101 N 1.45 1.70 -0.08 1.98 -1.94 0.27 -3.47 119.30 119.22 1ubs s MET 101 Ca 0.02 -1.91 -0.03 0.00 -1.71 0.00 0.00 55.69 52.06 1ubs s MET 101 Cb -0.17 -1.28 -0.04 0.00 2.01 0.00 0.00 34.83 35.35 1ubs s MET 101 CO 0.01 -0.02 0.05 0.71 -0.01 0.00 0.00 175.02 175.76 1ubs s TYR 102 N -2.95 3.29 0.31 -0.03 2.02 -1.26 0.45 117.35 119.17 1ubs s TYR 102 Ca 0.33 0.28 0.07 0.00 -0.37 0.00 0.00 57.07 57.37 1ubs s TYR 102 Cb 0.06 -1.81 0.82 0.00 -0.40 0.00 0.00 41.96 40.63 1ubs s TYR 102 CO 0.15 0.55 1.70 0.00 -1.57 0.00 0.00 175.55 176.38 1ubs h ALA 103 N 4.88 1.60 -0.62 3.71 0.00 -1.91 -2.71 119.26 124.21 1ubs h ALA 103 Ca -0.51 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1ubs h ALA 103 Cb 1.20 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1ubs h ALA 103 CO 0.57 -0.34 0.21 -0.97 0.00 0.00 0.00 179.25 178.71 1ubs h ASN 104 N 0.45 0.90 0.07 0.00 -1.24 -1.97 -0.04 115.58 113.74 1ubs h ASN 104 Ca 0.61 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 57.34 1ubs h ASN 104 Cb 1.18 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 1ubs h ASN 104 CO -0.52 0.86 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.17 1ubs h LEU 105 N 0.89 0.28 -0.08 0.34 3.38 -1.91 0.20 115.31 118.41 1ubs h LEU 105 Ca 0.20 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1ubs h LEU 105 Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ubs h LEU 105 CO -0.01 0.52 -0.38 0.58 0.09 0.00 0.00 178.44 179.24 1ubs h VAL 106 N 0.26 1.41 0.00 1.22 2.07 -1.44 -3.33 116.25 116.43 1ubs h VAL 106 Ca 0.04 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.67 1ubs h VAL 106 Cb 0.55 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1ubs h VAL 106 CO 0.04 0.51 -0.65 0.15 0.02 0.00 0.00 177.57 177.64 1ubs h PHE 107 N -0.07 0.00 0.00 1.57 3.04 -0.77 -3.33 116.94 117.38 1ubs h PHE 107 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ubs h PHE 107 Cb 1.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1ubs h PHE 107 CO 0.12 0.65 0.00 -1.71 -2.02 0.00 0.00 178.31 175.36 1ubs n ASN 108 N -3.61 0.00 -0.96 0.41 5.15 0.69 -1.64 115.26 115.31 1ubs n ASN 108 Ca -0.00 0.65 0.04 0.00 -0.60 0.00 0.00 54.58 54.67 1ubs n ASN 108 Cb 0.68 -0.24 0.18 0.00 -0.53 0.00 0.00 39.78 39.87 1ubs n ASN 108 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ubs n ASN 109 N -2.02 2.70 0.00 1.20 3.02 -1.26 -4.97 115.26 113.92 1ubs n ASN 109 Ca 0.00 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 1ubs n ASN 109 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1ubs n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ubs n GLY 110 N 0.60 2.26 0.21 7.41 0.00 -0.65 -4.63 105.19 110.38 1ubs n GLY 110 Ca 0.13 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 1ubs n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ubs h ILE 111 N 0.00 0.68 -0.24 -0.61 2.04 -1.78 -1.70 117.51 115.90 1ubs h ILE 111 Ca 0.00 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1ubs h ILE 111 Cb 0.00 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ubs h ILE 111 CO 0.00 0.04 0.12 -0.78 0.00 0.00 0.00 178.15 177.53 1ubs h ASP 112 N -0.57 0.17 -0.66 1.72 1.82 -1.91 -1.50 116.42 115.50 1ubs h ASP 112 Ca -0.05 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1ubs h ASP 112 Cb 0.42 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.37 1ubs h ASP 112 CO 0.08 0.13 0.43 0.00 -1.61 0.00 0.00 179.24 178.27 1ubs h ALA 113 N 1.12 1.60 -0.13 -0.78 0.00 -1.81 -0.79 119.26 118.48 1ubs h ALA 113 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ubs h ALA 113 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ubs h ALA 113 CO -0.07 0.34 -0.00 0.35 0.00 0.00 0.00 179.25 179.87 1ubs h PHE 114 N 0.82 0.25 0.00 0.00 3.57 -0.33 -2.46 116.94 118.79 1ubs h PHE 114 Ca 0.26 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1ubs h PHE 114 Cb 0.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1ubs h PHE 114 CO -0.00 0.47 -0.28 1.88 -2.23 0.00 0.00 178.31 178.15 1ubs h TYR 115 N -0.04 0.00 -0.13 0.41 0.05 -0.86 -2.46 116.97 113.95 1ubs h TYR 115 Ca 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1ubs h TYR 115 Cb 0.37 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1ubs h TYR 115 CO 0.03 0.28 0.07 0.00 -1.05 0.00 0.00 178.16 177.49 1ubs h ALA 116 N 1.72 0.16 0.00 3.88 0.00 -1.04 -0.12 119.26 123.87 1ubs h ALA 116 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ubs h ALA 116 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ubs h ALA 116 CO 0.04 -0.31 -0.30 -0.09 0.00 0.00 0.00 179.25 178.58 1ubs h ARG 117 N 0.12 0.00 0.27 0.00 9.65 -1.09 0.58 114.38 123.91 1ubs h ARG 117 Ca 0.04 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1ubs h ARG 117 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1ubs h ARG 117 CO -0.01 0.30 -0.13 0.00 2.80 0.00 0.00 179.97 182.93 1ubs h GLU 119 N -0.53 -0.21 -0.84 0.00 4.81 -0.70 -0.92 114.58 116.19 1ubs h GLU 119 Ca -0.04 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1ubs h GLU 119 Cb 0.39 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1ubs h GLU 119 CO 0.06 -0.14 0.55 0.37 -0.73 0.00 0.00 179.01 179.12 1ubs h GLN 120 N -0.22 1.02 0.00 1.92 4.15 -0.85 -2.29 115.11 118.84 1ubs h GLN 120 Ca 0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1ubs h GLN 120 Cb 0.34 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1ubs h GLN 120 CO -0.22 0.68 -0.18 1.55 -1.93 0.00 0.00 178.83 178.72 1ubs n VAL 121 N -4.44 0.27 -1.28 2.39 3.14 -0.42 -4.94 118.33 113.05 1ubs n VAL 121 Ca 0.11 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1ubs n VAL 121 Cb 0.10 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 1ubs n VAL 121 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ubs n GLY 122 N 1.41 1.03 3.82 7.55 0.00 -0.47 -4.48 105.19 114.04 1ubs n GLY 122 Ca 0.06 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1ubs n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubs s VAL 123 N -2.30 4.50 -0.21 1.61 1.01 -0.48 -4.80 120.40 119.74 1ubs s VAL 123 Ca 0.00 1.31 0.14 0.00 0.00 0.00 0.00 61.98 63.43 1ubs s VAL 123 Cb 0.00 -3.72 -0.23 0.00 0.00 0.00 0.00 36.38 32.43 1ubs s VAL 123 CO 0.00 -0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.48 1ubs n ASP 124 N -0.08 0.49 -3.80 3.32 8.00 0.13 -4.60 116.55 120.01 1ubs n ASP 124 Ca 0.03 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1ubs n ASP 124 Cb 0.52 0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 42.24 1ubs n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ubs s SER 125 N -5.70 -0.01 -0.03 -2.24 1.04 -0.90 -1.07 113.70 104.79 1ubs s SER 125 Ca -0.16 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1ubs s SER 125 Cb 0.07 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ubs s SER 125 CO 0.77 -0.80 -0.00 -0.69 0.98 0.00 0.00 173.24 173.50 1ubs s VAL 126 N -3.86 0.19 -0.22 5.02 1.01 -0.47 -0.95 120.40 121.12 1ubs s VAL 126 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ubs s VAL 126 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1ubs s VAL 126 CO -0.10 0.14 -0.04 -0.22 0.00 0.00 0.00 175.10 174.89 1ubs s LEU 127 N 0.93 2.94 -0.48 3.92 0.20 0.25 -1.99 118.68 124.45 1ubs s LEU 127 Ca -0.10 -0.37 -0.16 0.00 0.69 0.00 0.00 54.13 54.20 1ubs s LEU 127 Cb -0.13 -1.75 0.07 0.00 -0.43 0.00 0.00 46.19 43.95 1ubs s LEU 127 CO -0.01 -0.01 0.44 -0.69 -0.29 0.00 0.00 176.35 175.78 1ubs s VAL 128 N 1.43 5.18 0.42 1.68 1.01 -1.26 -0.57 120.40 128.29 1ubs s VAL 128 Ca 0.05 -1.01 0.17 0.00 0.00 0.00 0.00 61.98 61.20 1ubs s VAL 128 Cb -0.14 -4.17 0.38 0.00 0.00 0.00 0.00 36.38 32.44 1ubs s VAL 128 CO -0.02 -0.63 1.86 0.00 0.00 0.00 0.00 175.10 176.31 1ubs h ALA 129 N 8.80 2.18 -0.48 5.51 0.00 -0.37 -2.90 119.26 132.01 1ubs h ALA 129 Ca -0.28 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 1ubs h ALA 129 Cb 1.11 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1ubs h ALA 129 CO 0.90 -0.46 0.04 -0.40 0.00 0.00 0.00 179.25 179.34 1ubs n ASP 130 N -4.51 2.73 -4.05 0.00 5.75 -1.26 -4.87 116.55 110.35 1ubs n ASP 130 Ca 0.19 -3.77 -0.32 0.00 -0.01 0.00 0.00 54.79 50.88 1ubs n ASP 130 Cb 0.67 -0.67 -0.15 0.00 -1.03 0.00 0.00 41.12 39.93 1ubs n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ubs s VAL 131 N -3.29 2.19 0.89 2.12 1.01 -1.10 -4.91 120.40 117.31 1ubs s VAL 131 Ca 0.47 -1.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.43 1ubs s VAL 131 Cb 0.42 -2.42 0.12 0.00 0.00 0.00 0.00 36.38 34.50 1ubs s VAL 131 CO 0.01 -0.25 1.10 -2.16 0.00 0.00 0.00 175.10 173.80 1ubs s PRO 132 N 1.03 1.34 0.39 2.72 0.04 -1.26 -4.85 135.00 134.41 1ubs s PRO 132 Ca -0.01 0.65 0.12 0.00 0.04 0.00 0.00 61.00 61.79 1ubs s PRO 132 Cb -0.20 -1.83 0.92 0.00 0.04 0.00 0.00 34.50 33.43 1ubs s PRO 132 CO -0.06 -2.14 1.91 -0.24 0.04 0.00 0.00 177.00 176.51 1ubs h VAL 133 N -1.47 0.85 -0.06 -0.36 3.04 -1.99 -1.80 116.25 114.45 1ubs h VAL 133 Ca -0.50 -0.20 0.02 0.00 -1.01 0.00 0.00 66.70 65.02 1ubs h VAL 133 Cb 1.29 0.23 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1ubs h VAL 133 CO 0.57 0.10 0.06 -0.33 -1.01 0.00 0.00 177.57 176.97 1ubs h GLU 134 N 0.57 0.00 -0.07 4.17 3.07 -2.03 -2.49 114.58 117.80 1ubs h GLU 134 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1ubs h GLU 134 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1ubs h GLU 134 CO -0.15 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.85 1ubs n GLU 135 N -3.95 1.92 0.08 2.33 -0.58 -0.70 -4.81 120.64 114.92 1ubs n GLU 135 Ca -0.01 -2.47 0.12 0.00 -0.42 0.00 0.00 57.16 54.38 1ubs n GLU 135 Cb 0.16 -1.49 0.16 0.00 -0.57 0.00 0.00 31.44 29.70 1ubs n GLU 135 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1ubs h SER 136 N 0.46 0.00 -0.06 1.62 4.64 -1.24 -3.42 113.55 115.55 1ubs h SER 136 Ca 0.00 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1ubs h SER 136 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1ubs h SER 136 CO 0.05 0.08 -0.03 0.00 -0.87 0.00 0.00 176.83 176.05 1ubs n ALA 137 N -1.88 -0.04 0.15 5.18 0.00 -1.26 -0.10 120.51 122.56 1ubs n ALA 137 Ca 0.03 0.05 0.17 0.00 0.00 0.00 0.00 53.44 53.69 1ubs n ALA 137 Cb 0.46 0.27 0.76 0.00 0.00 0.00 0.00 19.45 20.94 1ubs n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ubs h PRO 138 N 0.00 0.00 0.16 0.00 0.13 -2.00 -0.74 132.00 129.55 1ubs h PRO 138 Ca 0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.88 1ubs h PRO 138 Cb 0.02 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.18 1ubs h PRO 138 CO -0.06 0.00 -1.12 0.74 -0.23 0.00 0.00 178.00 177.34 1ubs h PHE 139 N 0.00 0.81 -0.09 1.56 -1.00 -0.80 -3.11 116.94 114.30 1ubs h PHE 139 Ca 0.12 -0.56 -0.24 0.00 2.81 0.00 0.00 57.97 60.10 1ubs h PHE 139 Cb 0.58 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 40.11 1ubs h PHE 139 CO 0.00 1.42 -0.89 0.00 -1.61 0.00 0.00 178.31 177.23 1ubs h ARG 140 N -0.03 0.76 -0.58 1.51 3.08 0.09 -2.64 114.38 116.56 1ubs h ARG 140 Ca -0.19 -0.70 0.00 0.00 0.07 0.00 0.00 59.98 59.17 1ubs h ARG 140 Cb 1.86 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 32.05 1ubs h ARG 140 CO 0.21 1.29 0.38 1.96 -1.07 0.00 0.00 179.97 182.74 1ubs h GLN 141 N 0.49 0.77 -0.51 0.04 4.20 -1.28 -1.57 115.11 117.25 1ubs h GLN 141 Ca -0.08 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 1ubs h GLN 141 Cb 1.53 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1ubs h GLN 141 CO 0.18 0.52 0.02 0.00 -0.67 0.00 0.00 178.83 178.89 1ubs h ALA 142 N 1.20 1.08 -0.13 3.87 0.00 -1.59 -1.49 119.26 122.20 1ubs h ALA 142 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ubs h ALA 142 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ubs h ALA 142 CO -0.04 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.80 1ubs h ALA 143 N 1.24 0.18 -0.28 0.00 0.00 -1.23 -2.64 119.26 116.52 1ubs h ALA 143 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ubs h ALA 143 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ubs h ALA 143 CO 0.02 -0.15 0.10 -0.07 0.00 0.00 0.00 179.25 179.14 1ubs h LEU 144 N -0.01 0.40 -2.80 0.00 3.38 -1.20 0.93 115.31 116.01 1ubs h LEU 144 Ca 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ubs h LEU 144 Cb 0.32 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ubs h LEU 144 CO 0.00 0.49 0.04 0.03 0.09 0.00 0.00 178.44 179.09 1ubs h ARG 145 N 0.30 0.00 -0.15 1.13 3.08 -1.24 -1.66 114.38 115.84 1ubs h ARG 145 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ubs h ARG 145 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ubs h ARG 145 CO -0.00 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 1ubs n HIS 146 N -3.18 0.52 -2.91 3.04 8.25 -0.83 -4.96 115.22 115.15 1ubs n HIS 146 Ca -0.03 -0.92 -0.22 0.00 -0.26 0.00 0.00 57.72 56.29 1ubs n HIS 146 Cb 0.11 -0.24 0.03 0.00 1.12 0.00 0.00 29.99 31.02 1ubs n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ubs n ASN 147 N -0.90 -6.08 -4.59 0.41 3.02 -0.62 -4.68 115.26 101.81 1ubs n ASN 147 Ca 0.19 -0.24 -0.34 0.00 -0.03 0.00 0.00 54.58 54.15 1ubs n ASN 147 Cb 0.77 -4.92 -0.11 0.00 -0.61 0.00 0.00 39.78 34.91 1ubs n ASN 147 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubs s ILE 148 N -3.16 4.06 -0.11 2.41 -1.09 0.31 -2.72 121.20 120.92 1ubs s ILE 148 Ca 0.25 -0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.08 1ubs s ILE 148 Cb -0.11 -2.73 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 1ubs s ILE 148 CO 0.31 0.55 0.91 0.00 -1.23 0.00 0.00 174.94 175.49 1ubs s ALA 149 N -0.33 3.41 -0.43 9.38 0.00 -0.23 -3.76 121.76 129.79 1ubs s ALA 149 Ca 0.06 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 1ubs s ALA 149 Cb -0.12 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1ubs s ALA 149 CO 0.02 -0.52 0.90 -1.25 0.00 0.00 0.00 175.76 174.91 1ubs s PRO 150 N 1.82 3.60 0.08 0.00 0.04 -1.26 -1.37 135.00 137.90 1ubs s PRO 150 Ca 0.44 0.22 -0.21 0.00 0.04 0.00 0.00 61.00 61.50 1ubs s PRO 150 Cb -0.18 -3.89 -0.07 0.00 0.04 0.00 0.00 34.50 30.40 1ubs s PRO 150 CO 0.17 -1.13 0.61 0.42 0.04 0.00 0.00 177.00 177.12 1ubs s ILE 151 N 3.59 4.69 0.05 0.56 -1.09 -0.84 -2.67 121.20 125.49 1ubs s ILE 151 Ca 0.36 1.31 0.07 0.00 -2.23 0.00 0.00 60.65 60.16 1ubs s ILE 151 Cb -0.11 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 1ubs s ILE 151 CO 0.24 0.54 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.92 1ubs s PHE 152 N -1.03 1.75 -0.01 3.97 0.08 -1.26 -4.44 117.98 117.03 1ubs s PHE 152 Ca 0.30 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.79 1ubs s PHE 152 Cb -0.20 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.16 1ubs s PHE 152 CO 0.20 0.10 0.54 0.42 -0.10 0.00 0.00 175.22 176.38 1ubs s ILE 153 N -0.85 4.94 -0.39 0.64 1.01 -1.26 -0.73 121.20 124.57 1ubs s ILE 153 Ca 0.07 1.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.76 1ubs s ILE 153 Cb -0.09 -3.87 0.07 0.00 0.01 0.00 0.00 42.46 38.59 1ubs s ILE 153 CO 0.02 0.46 0.19 0.00 0.00 0.00 0.00 174.94 175.61 1ubs s PRO 155 N 1.35 3.09 0.21 0.00 0.04 -1.26 -0.92 135.00 137.51 1ubs s PRO 155 Ca 0.02 0.35 -0.09 0.00 0.04 0.00 0.00 61.00 61.32 1ubs s PRO 155 Cb -0.22 -2.14 0.22 0.00 0.04 0.00 0.00 34.50 32.40 1ubs s PRO 155 CO 0.01 -0.76 1.84 -1.00 0.04 0.00 0.00 177.00 177.13 1ubs h PRO 156 N -0.36 0.83 -1.00 0.56 0.13 -1.94 -1.58 132.00 128.65 1ubs h PRO 156 Ca -0.45 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ubs h PRO 156 Cb 1.24 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ubs h PRO 156 CO 0.62 0.55 0.00 0.27 -0.23 0.00 0.00 178.00 179.21 1ubs n ASN 157 N -4.67 1.23 -4.75 1.44 0.23 -1.26 -4.91 115.26 102.57 1ubs n ASN 157 Ca 0.09 -2.01 -0.41 0.00 -0.53 0.00 0.00 54.58 51.72 1ubs n ASN 157 Cb 0.11 -0.50 -0.03 0.00 -2.08 0.00 0.00 39.78 37.28 1ubs n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ubs s ALA 158 N -0.91 3.50 0.11 -2.53 0.00 -0.60 -5.07 121.76 116.27 1ubs s ALA 158 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1ubs s ALA 158 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1ubs s ALA 158 CO 0.00 -0.50 0.11 -0.40 0.00 0.00 0.00 175.76 174.97 1ubs n ASP 159 N 1.80 1.03 -0.04 0.00 5.75 -1.26 -4.98 116.55 118.85 1ubs n ASP 159 Ca 0.03 -1.36 -0.14 0.00 -0.01 0.00 0.00 54.79 53.31 1ubs n ASP 159 Cb 0.43 -0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 40.40 1ubs n ASP 159 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1ubs h ASP 160 N 0.09 0.37 -0.87 -1.12 3.58 -1.99 -1.96 116.42 114.51 1ubs h ASP 160 Ca -0.07 -0.56 0.12 0.00 0.42 0.00 0.00 57.03 56.94 1ubs h ASP 160 Cb 0.26 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.12 1ubs h ASP 160 CO 0.10 0.86 0.50 0.44 -2.88 0.00 0.00 179.24 178.26 1ubs h ASP 161 N -0.11 0.68 -0.26 2.28 5.19 -1.99 -0.34 116.42 121.87 1ubs h ASP 161 Ca 0.00 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 1ubs h ASP 161 Cb 0.80 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1ubs h ASP 161 CO 0.05 0.35 -0.21 0.25 -3.12 0.00 0.00 179.24 176.56 1ubs h LEU 162 N 0.78 0.64 -0.74 1.55 5.85 -1.96 -2.02 115.31 119.41 1ubs h LEU 162 Ca 0.44 -0.45 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1ubs h LEU 162 Cb 0.50 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1ubs h LEU 162 CO -0.29 0.95 0.39 -0.07 -0.34 0.00 0.00 178.44 179.08 1ubs h LEU 163 N 0.33 0.54 0.03 2.25 3.38 -0.51 0.14 115.31 121.48 1ubs h LEU 163 Ca 0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ubs h LEU 163 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ubs h LEU 163 CO 0.05 0.32 -0.01 -0.09 0.09 0.00 0.00 178.44 178.79 1ubs h ARG 164 N 0.67 -0.04 -0.04 1.13 9.65 -1.05 -1.04 114.38 123.67 1ubs h ARG 164 Ca 0.36 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.23 1ubs h ARG 164 Cb 0.34 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1ubs h ARG 164 CO -0.25 0.00 0.00 1.96 2.80 0.00 0.00 179.97 184.49 1ubs h GLN 165 N -0.07 0.07 -0.94 0.20 4.20 -0.61 -2.11 115.11 115.85 1ubs h GLN 165 Ca -0.00 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1ubs h GLN 165 Cb 0.06 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1ubs h GLN 165 CO 0.01 0.34 0.62 0.28 -0.67 0.00 0.00 178.83 179.40 1ubs h VAL 166 N -0.20 1.15 -0.31 -0.54 2.07 -0.76 -0.41 116.25 117.25 1ubs h VAL 166 Ca 0.01 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1ubs h VAL 166 Cb 0.30 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1ubs h VAL 166 CO 0.00 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.85 1ubs h ALA 167 N 1.45 0.41 -0.11 1.67 0.00 -1.04 -2.76 119.26 118.88 1ubs h ALA 167 Ca 0.38 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1ubs h ALA 167 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ubs h ALA 167 CO -0.12 0.11 -0.53 0.77 0.00 0.00 0.00 179.25 179.48 1ubs h SER 168 N 0.34 0.35 0.03 0.00 0.02 -0.92 -3.38 113.55 109.98 1ubs h SER 168 Ca 0.09 -0.18 -0.21 0.00 -0.84 0.00 0.00 61.79 60.66 1ubs h SER 168 Cb 0.35 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1ubs h SER 168 CO 0.01 0.81 -2.19 -1.22 -1.14 0.00 0.00 176.83 173.10 1ubs n TYR 169 N -3.94 0.04 -2.20 3.45 4.01 -0.20 -5.00 117.16 113.31 1ubs n TYR 169 Ca -0.02 0.01 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 1ubs n TYR 169 Cb 0.57 -0.79 0.02 0.00 -0.31 0.00 0.00 39.34 38.82 1ubs n TYR 169 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ubs s GLY 170 N -5.06 1.60 0.23 2.72 0.00 -1.04 -4.80 107.32 100.96 1ubs s GLY 170 Ca -0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 1ubs s GLY 170 CO 0.86 -0.13 0.42 0.50 0.00 0.00 0.00 173.10 174.76 1ubs s ARG 171 N -5.05 1.45 0.00 2.90 1.81 -1.09 -4.70 118.95 114.26 1ubs s ARG 171 Ca 0.53 -1.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1ubs s ARG 171 Cb -0.11 0.44 0.00 0.00 -0.45 0.00 0.00 34.95 34.84 1ubs s ARG 171 CO 0.49 -0.59 0.00 0.41 -0.68 0.00 0.00 175.30 174.93 1ubs n GLY 172 N -0.35 2.40 3.42 -3.53 0.00 -1.26 -4.47 105.19 101.40 1ubs n GLY 172 Ca -0.03 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1ubs n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ubs s TYR 173 N 0.00 -0.42 -0.15 1.61 -0.85 -1.26 -4.28 117.35 111.99 1ubs s TYR 173 Ca 0.00 0.16 -0.13 0.00 -0.52 0.00 0.00 57.07 56.59 1ubs s TYR 173 Cb 0.00 0.48 -0.05 0.00 0.38 0.00 0.00 41.96 42.77 1ubs s TYR 173 CO 0.00 -0.83 0.25 0.99 -1.52 0.00 0.00 175.55 174.44 1ubs s THR 174 N -3.78 5.33 -0.44 -3.49 2.01 0.21 -4.44 115.64 111.03 1ubs s THR 174 Ca 0.02 0.47 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 1ubs s THR 174 Cb -0.00 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.95 1ubs s THR 174 CO -0.11 0.43 0.71 -0.47 -0.69 0.00 0.00 174.62 174.48 1ubs s TYR 175 N 0.22 3.03 -0.18 4.92 6.14 0.09 -1.26 117.35 130.32 1ubs s TYR 175 Ca 0.15 0.04 -0.17 0.00 0.64 0.00 0.00 57.07 57.73 1ubs s TYR 175 Cb -0.13 -3.49 -0.04 0.00 0.42 0.00 0.00 41.96 38.73 1ubs s TYR 175 CO 0.03 -0.92 0.43 -1.17 0.64 0.00 0.00 175.55 174.56 1ubs s LEU 176 N 3.03 4.18 0.44 6.97 2.96 0.24 0.36 118.68 136.86 1ubs s LEU 176 Ca 0.26 0.61 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 1ubs s LEU 176 Cb -0.13 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1ubs s LEU 176 CO 0.21 -0.07 0.28 -0.22 -1.32 0.00 0.00 176.35 175.22 1ubs s LEU 177 N 1.19 3.09 -0.21 -0.68 2.96 -0.10 0.37 118.68 125.31 1ubs s LEU 177 Ca 0.21 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.02 1ubs s LEU 177 Cb -0.15 -1.55 0.10 0.00 0.50 0.00 0.00 46.19 45.08 1ubs s LEU 177 CO 0.08 -0.70 0.44 -0.44 -1.32 0.00 0.00 176.35 174.42 1ubs s SER 178 N -4.05 -0.34 -0.26 3.68 0.01 -1.26 -4.20 113.70 107.28 1ubs s SER 178 Ca 0.41 1.03 -0.10 0.00 1.31 0.00 0.00 55.95 58.60 1ubs s SER 178 Cb 0.01 1.45 -0.05 0.00 0.21 0.00 0.00 66.02 67.64 1ubs s SER 178 CO 0.23 -0.23 0.17 -0.60 0.41 0.00 0.00 173.24 173.22 1ubs s ARG 179 N 2.64 3.95 -1.44 12.44 6.06 -1.26 -4.79 118.95 136.55 1ubs s ARG 179 Ca -0.02 -0.33 -0.13 0.00 -2.50 0.00 0.00 55.73 52.75 1ubs s ARG 179 Cb -0.12 -3.58 0.05 0.00 0.06 0.00 0.00 34.95 31.36 1ubs s ARG 179 CO -0.14 -0.11 2.20 0.45 -2.50 0.00 0.00 175.30 175.20 1ubs n SER 180 N 4.83 4.12 -4.59 -2.12 2.88 -1.26 -5.03 113.62 112.45 1ubs n SER 180 Ca -0.15 -2.87 -0.43 0.00 -1.33 0.00 0.00 58.87 54.10 1ubs n SER 180 Cb 0.52 -1.63 -0.02 0.00 -0.75 0.00 0.00 64.21 62.32 1ubs n SER 180 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1ubs s PRO 192 N 2.81 3.62 0.38 -1.46 0.02 -1.26 -5.28 135.00 133.82 1ubs s PRO 192 Ca 0.46 0.39 0.07 0.00 0.02 0.00 0.00 61.00 61.95 1ubs s PRO 192 Cb 0.14 -3.96 0.79 0.00 0.02 0.00 0.00 34.50 31.49 1ubs s PRO 192 CO -0.08 -1.51 1.98 -0.07 -0.33 0.00 0.00 177.00 176.99 1ubs h LEU 193 N 11.49 0.60 -2.25 -5.54 3.38 -1.99 0.52 115.31 121.51 1ubs h LEU 193 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ubs h LEU 193 Cb 1.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ubs h LEU 193 CO 1.15 0.39 -0.05 0.45 0.09 0.00 0.00 178.44 180.47 1ubs h HIS 194 N 0.68 0.00 0.11 1.13 -0.00 -1.99 0.41 115.15 115.49 1ubs h HIS 194 Ca 0.28 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.33 1ubs h HIS 194 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1ubs h HIS 194 CO -0.00 0.05 -1.68 1.25 -0.00 0.00 0.00 177.93 177.55 1ubs h HIS 195 N 0.00 0.42 0.82 2.45 -0.00 -0.51 -2.71 115.15 115.63 1ubs h HIS 195 Ca -0.00 -0.31 -0.04 0.00 -0.00 0.00 0.00 60.37 60.02 1ubs h HIS 195 Cb 0.21 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1ubs h HIS 195 CO 0.00 1.45 -0.40 1.25 -0.00 0.00 0.00 177.93 180.23 1ubs h LEU 196 N 0.06 -0.94 -1.05 0.26 7.12 0.12 0.62 115.31 121.50 1ubs h LEU 196 Ca -0.30 0.03 0.27 0.00 0.13 0.00 0.00 57.88 58.01 1ubs h LEU 196 Cb 2.03 0.24 -0.13 0.00 -0.53 0.00 0.00 40.66 42.27 1ubs h LEU 196 CO 0.14 -0.62 0.60 0.40 -0.13 0.00 0.00 178.44 178.83 1ubs h ILE 197 N -1.21 0.48 0.03 4.05 1.08 -0.42 0.45 117.51 121.96 1ubs h ILE 197 Ca -0.11 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1ubs h ILE 197 Cb 0.85 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1ubs h ILE 197 CO 0.19 0.09 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.65 1ubs h GLU 198 N 0.50 -0.03 -0.46 2.37 4.81 -1.23 -2.30 114.58 118.24 1ubs h GLU 198 Ca 0.66 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.81 1ubs h GLU 198 Cb 1.37 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1ubs h GLU 198 CO -0.48 0.27 -0.04 0.87 -0.73 0.00 0.00 179.01 178.90 1ubs h LYS 199 N -0.34 0.79 -0.20 1.92 1.79 0.26 -0.70 116.57 120.09 1ubs h LYS 199 Ca -0.00 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1ubs h LYS 199 Cb 0.32 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1ubs h LYS 199 CO 0.01 0.82 0.04 -0.07 -1.08 0.00 0.00 179.45 179.17 1ubs h LEU 200 N 0.73 0.31 -0.90 2.94 3.38 -0.19 -1.99 115.31 119.59 1ubs h LEU 200 Ca 0.14 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ubs h LEU 200 Cb 0.50 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1ubs h LEU 200 CO 0.03 0.48 0.59 0.11 0.09 0.00 0.00 178.44 179.74 1ubs h LYS 201 N 0.13 1.17 -0.63 1.13 1.57 -1.27 0.11 116.57 118.78 1ubs h LYS 201 Ca 0.06 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ubs h LYS 201 Cb 0.29 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1ubs h LYS 201 CO 0.00 0.77 0.21 1.49 -0.57 0.00 0.00 179.45 181.35 1ubs h GLU 202 N 1.20 0.95 -0.01 3.15 4.81 -0.96 -2.89 114.58 120.82 1ubs h GLU 202 Ca 0.34 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1ubs h GLU 202 Cb -0.11 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1ubs h GLU 202 CO -0.08 0.81 -0.17 0.66 -0.73 0.00 0.00 179.01 179.49 1ubs n TYR 203 N -4.28 0.00 -2.18 0.92 4.01 -0.76 -4.95 117.16 109.91 1ubs n TYR 203 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.75 1ubs n TYR 203 Cb 0.20 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1ubs n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1ubs n HIS 204 N -0.26 -0.26 -1.73 -0.72 8.25 -0.56 -4.76 115.22 115.17 1ubs n HIS 204 Ca 0.14 0.03 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 1ubs n HIS 204 Cb 0.37 -1.62 0.05 0.00 1.12 0.00 0.00 29.99 29.91 1ubs n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ubs s ALA 205 N -2.35 2.40 0.80 -1.41 0.00 0.28 -4.91 121.76 116.57 1ubs s ALA 205 Ca 0.02 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 1ubs s ALA 205 Cb -0.01 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1ubs s ALA 205 CO 0.02 -1.38 1.10 0.00 0.00 0.00 0.00 175.76 175.50 1ubs n ALA 206 N -2.34 -0.23 -1.51 0.00 0.00 -1.26 -4.74 120.51 110.42 1ubs n ALA 206 Ca 0.11 -0.31 -0.49 0.00 0.00 0.00 0.00 53.44 52.75 1ubs n ALA 206 Cb 0.51 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 1ubs n ALA 206 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ubs n PRO 207 N -2.83 0.67 -3.15 0.00 -0.02 -1.26 -3.61 135.00 124.79 1ubs n PRO 207 Ca 0.13 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 1ubs n PRO 207 Cb 0.50 -1.55 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 1ubs n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ubs s ALA 208 N -0.60 3.46 -0.18 3.55 0.00 -1.26 0.63 121.76 127.36 1ubs s ALA 208 Ca 0.70 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 1ubs s ALA 208 Cb -0.90 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ubs s ALA 208 CO 0.56 0.14 -0.12 -0.51 0.00 0.00 0.00 175.76 175.83 1ubs s LEU 209 N -0.16 2.58 -0.12 0.00 1.43 -0.39 -0.84 118.68 121.19 1ubs s LEU 209 Ca 0.33 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1ubs s LEU 209 Cb -0.19 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1ubs s LEU 209 CO 0.18 0.04 1.25 -1.58 0.23 0.00 0.00 176.35 176.48 1ubs s GLN 210 N 1.08 4.28 -0.00 1.70 -0.44 -0.35 -0.59 119.66 125.33 1ubs s GLN 210 Ca 0.00 1.69 0.06 0.00 -2.50 0.00 0.00 55.36 54.60 1ubs s GLN 210 Cb -0.15 -3.68 -0.08 0.00 -1.64 0.00 0.00 33.01 27.47 1ubs s GLN 210 CO -0.03 -0.61 0.17 0.41 0.50 0.00 0.00 175.29 175.74 1ubs n GLY 211 N 3.53 0.05 0.00 2.59 0.00 0.16 -0.10 105.19 111.42 1ubs n GLY 211 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ubs n GLY 211 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ubs n PHE 212 N -1.46 0.00 -3.07 1.61 -1.74 -1.18 -4.40 117.46 107.22 1ubs n PHE 212 Ca -0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.72 1ubs n PHE 212 Cb 0.12 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.08 1ubs n PHE 212 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ubs n GLY 213 N 0.00 1.08 3.61 4.97 0.00 -1.26 -4.87 105.19 108.71 1ubs n GLY 213 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1ubs n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubs s ILE 214 N 0.22 4.97 0.00 -0.61 -1.09 -1.26 -4.82 121.20 118.62 1ubs s ILE 214 Ca 0.32 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1ubs s ILE 214 Cb 0.07 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1ubs s ILE 214 CO -0.14 -0.04 0.00 -1.20 -1.23 0.00 0.00 174.94 172.33 1ubs n SER 215 N 5.76 0.00 -3.91 3.58 7.64 -1.26 -4.60 113.62 120.83 1ubs n SER 215 Ca -0.01 -0.32 -0.11 0.00 1.01 0.00 0.00 58.87 59.44 1ubs n SER 215 Cb 0.49 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 1ubs n SER 215 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ubs s SER 216 N 0.00 0.11 0.44 6.43 1.04 -1.26 -5.02 113.70 115.44 1ubs s SER 216 Ca 0.00 -0.18 0.27 0.00 0.48 0.00 0.00 55.95 56.51 1ubs s SER 216 Cb 0.00 0.03 1.31 0.00 0.10 0.00 0.00 66.02 67.47 1ubs s SER 216 CO 0.00 -0.11 1.72 -0.65 0.98 0.00 0.00 173.24 175.18 1ubs h PRO 217 N 5.60 0.20 -0.64 4.02 0.11 -1.92 0.44 132.00 139.81 1ubs h PRO 217 Ca -0.27 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.96 1ubs h PRO 217 Cb 1.21 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 1ubs h PRO 217 CO 0.47 0.13 0.06 0.93 -0.21 0.00 0.00 178.00 179.38 1ubs h GLU 218 N 0.21 0.16 -0.10 1.05 4.39 -1.94 -2.20 114.58 116.14 1ubs h GLU 218 Ca 0.68 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 60.21 1ubs h GLU 218 Cb 2.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.69 1ubs h GLU 218 CO -0.28 0.11 -0.63 1.96 -1.16 0.00 0.00 179.01 179.01 1ubs h GLN 219 N 0.17 0.38 0.39 2.33 4.20 -0.52 -2.28 115.11 119.78 1ubs h GLN 219 Ca 0.34 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1ubs h GLN 219 Cb 0.56 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1ubs h GLN 219 CO -0.51 0.88 -0.21 0.28 -0.67 0.00 0.00 178.83 178.61 1ubs h VAL 220 N 0.28 0.57 -0.65 -0.54 2.07 -1.35 -0.51 116.25 116.13 1ubs h VAL 220 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1ubs h VAL 220 Cb 1.16 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1ubs h VAL 220 CO 0.11 0.00 0.33 0.77 0.02 0.00 0.00 177.57 178.79 1ubs h SER 221 N -0.55 0.45 -0.52 0.57 4.64 -1.28 -0.60 113.55 116.25 1ubs h SER 221 Ca -0.05 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1ubs h SER 221 Cb 0.44 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1ubs h SER 221 CO 0.07 0.28 0.15 0.00 -0.87 0.00 0.00 176.83 176.47 1ubs h ALA 222 N 1.37 1.20 -0.07 5.18 0.00 -1.19 -1.47 119.26 124.28 1ubs h ALA 222 Ca 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ubs h ALA 222 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ubs h ALA 222 CO -0.22 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.61 1ubs h ALA 223 N 1.33 0.09 -0.83 0.00 0.00 0.39 0.25 119.26 120.50 1ubs h ALA 223 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ubs h ALA 223 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1ubs h ALA 223 CO -0.00 -0.32 0.55 0.28 0.00 0.00 0.00 179.25 179.75 1ubs h VAL 224 N -0.05 1.17 -0.31 0.00 2.07 -1.19 0.48 116.25 118.42 1ubs h VAL 224 Ca 0.02 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 1ubs h VAL 224 Cb 0.17 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1ubs h VAL 224 CO -0.00 0.19 -0.42 0.03 0.02 0.00 0.00 177.57 177.40 1ubs h ARG 225 N 1.07 0.83 -0.29 1.57 3.08 -0.85 -3.10 114.38 116.69 1ubs h ARG 225 Ca 0.32 -0.48 0.04 0.00 0.07 0.00 0.00 59.98 59.93 1ubs h ARG 225 Cb -0.04 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ubs h ARG 225 CO -0.08 1.11 0.20 0.00 -1.07 0.00 0.00 179.97 180.13 1ubs h ALA 226 N 0.70 2.00 0.00 0.04 0.00 -0.12 -3.46 119.26 118.43 1ubs h ALA 226 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ubs h ALA 226 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ubs h ALA 226 CO 0.10 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ubs n GLY 227 N -1.53 0.32 3.77 0.00 0.00 -0.95 -4.69 105.19 102.11 1ubs n GLY 227 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1ubs n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs s ALA 228 N -1.07 2.65 -1.87 4.61 0.00 0.12 -4.89 121.76 121.31 1ubs s ALA 228 Ca 0.00 0.81 0.30 0.00 0.00 0.00 0.00 51.96 53.07 1ubs s ALA 228 Cb 0.00 -3.36 1.50 0.00 0.00 0.00 0.00 23.12 21.25 1ubs s ALA 228 CO 0.00 -0.87 2.01 0.00 0.00 0.00 0.00 175.76 176.90 1ubs n ALA 229 N -1.47 2.67 0.00 0.00 0.00 -0.02 -4.06 120.51 117.62 1ubs n ALA 229 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ubs n ALA 229 Cb 0.51 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ubs n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubs n GLY 230 N 1.16 -0.84 2.98 0.00 0.00 -1.25 -1.33 105.19 105.91 1ubs n GLY 230 Ca 0.19 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1ubs n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs s ALA 231 N -1.05 0.04 -0.21 4.61 0.00 0.01 -1.22 121.76 123.95 1ubs s ALA 231 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1ubs s ALA 231 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1ubs s ALA 231 CO 0.00 -0.14 0.07 0.42 0.00 0.00 0.00 175.76 176.11 1ubs s ILE 232 N -1.18 4.64 -0.83 0.00 1.01 0.86 -0.91 121.20 124.79 1ubs s ILE 232 Ca -0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 1ubs s ILE 232 Cb -0.08 -3.12 0.19 0.00 0.01 0.00 0.00 42.46 39.46 1ubs s ILE 232 CO -0.01 0.41 0.83 -0.55 0.00 0.00 0.00 174.94 175.62 1ubs s SER 233 N 0.88 6.68 0.29 3.58 0.15 0.06 -4.43 113.70 120.91 1ubs s SER 233 Ca 0.04 -2.44 0.03 0.00 0.70 0.00 0.00 55.95 54.28 1ubs s SER 233 Cb -0.14 -2.26 0.66 0.00 -1.71 0.00 0.00 66.02 62.58 1ubs s SER 233 CO 0.03 -0.72 1.78 1.23 1.20 0.00 0.00 173.24 176.75 1ubs h GLY 234 N 8.54 1.66 0.00 9.45 0.00 -1.81 -2.52 103.07 118.38 1ubs h GLY 234 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1ubs h GLY 234 CO 0.86 -0.04 0.00 -1.14 0.00 0.00 0.00 176.54 176.22 1ubs n SER 235 N -4.79 0.00 -0.16 0.19 3.41 -1.26 -4.75 113.62 106.26 1ubs n SER 235 Ca 0.21 -0.46 0.18 0.00 -0.26 0.00 0.00 58.87 58.54 1ubs n SER 235 Cb 0.51 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.01 1ubs n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ubs h ALA 236 N 0.00 2.25 0.17 7.33 0.00 -1.84 0.73 119.26 127.89 1ubs h ALA 236 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1ubs h ALA 236 Cb 0.23 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ubs h ALA 236 CO 0.00 -0.46 -1.31 0.82 0.00 0.00 0.00 179.25 178.30 1ubs h ILE 237 N 0.32 1.42 0.00 0.00 1.08 -1.81 -3.18 117.51 115.34 1ubs h ILE 237 Ca 0.38 -2.90 -0.04 0.00 -0.39 0.00 0.00 64.86 61.92 1ubs h ILE 237 Cb 1.01 2.95 -0.01 0.00 -3.07 0.00 0.00 36.82 37.70 1ubs h ILE 237 CO -0.11 0.85 -0.17 0.58 -0.69 0.00 0.00 178.15 178.62 1ubs h VAL 238 N 0.11 0.95 -0.03 1.67 2.07 -1.24 -2.82 116.25 116.96 1ubs h VAL 238 Ca -0.17 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1ubs h VAL 238 Cb 2.02 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1ubs h VAL 238 CO 0.23 0.17 0.02 0.50 0.02 0.00 0.00 177.57 178.50 1ubs h LYS 239 N 0.00 0.04 -0.15 1.57 1.63 -0.93 -1.78 116.57 116.95 1ubs h LYS 239 Ca -0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ubs h LYS 239 Cb 0.34 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1ubs h LYS 239 CO 0.02 0.09 0.08 0.82 -3.45 0.00 0.00 179.45 177.01 1ubs h ILE 240 N -0.02 1.12 -0.59 2.00 2.04 -1.52 0.11 117.51 120.66 1ubs h ILE 240 Ca 0.01 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.62 1ubs h ILE 240 Cb 0.06 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1ubs h ILE 240 CO -0.00 0.11 0.18 0.40 0.00 0.00 0.00 178.15 178.84 1ubs h ILE 241 N 0.12 0.72 0.45 -0.67 2.04 -1.47 0.19 117.51 118.90 1ubs h ILE 241 Ca 0.05 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1ubs h ILE 241 Cb 0.11 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ubs h ILE 241 CO -0.01 0.06 -0.32 -0.08 0.00 0.00 0.00 178.15 177.80 1ubs h GLU 242 N 0.33 -0.73 -0.91 2.37 4.81 -0.84 0.29 114.58 119.90 1ubs h GLU 242 Ca 0.30 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.67 1ubs h GLU 242 Cb 0.40 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1ubs h GLU 242 CO -0.34 -0.49 0.55 0.87 -0.73 0.00 0.00 179.01 178.88 1ubs h LYS 243 N -0.76 0.91 -0.62 1.92 1.57 -0.07 -2.86 116.57 116.66 1ubs h LYS 243 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ubs h LYS 243 Cb 0.64 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ubs h LYS 243 CO 0.02 0.60 0.00 0.09 -0.57 0.00 0.00 179.45 179.59 1ubs n ASN 244 N -4.65 4.31 -0.38 0.86 4.13 0.60 -4.54 115.26 115.59 1ubs n ASN 244 Ca 0.15 -2.31 0.34 0.00 1.68 0.00 0.00 54.58 54.45 1ubs n ASN 244 Cb 0.27 -0.52 0.61 0.00 -1.54 0.00 0.00 39.78 38.61 1ubs n ASN 244 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1ubs h LEU 245 N 3.81 0.29 -0.06 3.41 5.85 -0.18 0.51 115.31 128.95 1ubs h LEU 245 Ca 0.00 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1ubs h LEU 245 Cb 1.25 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 1ubs h LEU 245 CO 0.14 -0.32 -0.10 0.00 -0.34 0.00 0.00 178.44 177.81 1ubs h ALA 246 N 1.82 -0.07 -3.55 1.25 0.00 -1.83 -3.38 119.26 113.49 1ubs h ALA 246 Ca 0.84 0.03 -0.64 0.00 0.00 0.00 0.00 54.91 55.14 1ubs h ALA 246 Cb 2.41 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 20.00 1ubs h ALA 246 CO -0.62 -0.58 -0.73 0.45 0.00 0.00 0.00 179.25 177.77 1ubs s SER 247 N -5.07 4.58 0.20 0.00 0.15 0.18 -5.00 113.70 108.73 1ubs s SER 247 Ca -0.14 -2.07 -0.10 0.00 0.70 0.00 0.00 55.95 54.34 1ubs s SER 247 Cb 0.09 -1.45 0.26 0.00 -1.71 0.00 0.00 66.02 63.21 1ubs s SER 247 CO 0.67 -0.38 1.76 -0.65 1.20 0.00 0.00 173.24 175.83 1ubs h PRO 248 N 7.68 0.43 -0.24 5.44 0.11 -1.76 0.64 132.00 144.31 1ubs h PRO 248 Ca -0.06 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1ubs h PRO 248 Cb 1.01 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ubs h PRO 248 CO 0.51 0.28 -0.13 -0.22 -0.21 0.00 0.00 178.00 178.24 1ubs h LYS 249 N 0.44 0.39 0.00 1.05 3.11 -1.94 -1.58 116.57 118.03 1ubs h LYS 249 Ca 0.29 -0.10 -0.10 0.00 -2.81 0.00 0.00 60.65 57.93 1ubs h LYS 249 Cb 0.33 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 1ubs h LYS 249 CO -0.27 0.52 -0.49 0.37 -2.81 0.00 0.00 179.45 176.76 1ubs h GLN 250 N 0.36 0.00 -0.06 1.90 5.75 -1.70 -2.86 115.11 118.51 1ubs h GLN 250 Ca 0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1ubs h GLN 250 Cb 0.45 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1ubs h GLN 250 CO 0.03 0.49 -0.02 1.98 -2.65 0.00 0.00 178.83 178.66 1ubs h MET 251 N 0.00 0.13 -0.36 1.69 4.05 0.05 -2.45 114.93 118.05 1ubs h MET 251 Ca -0.00 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1ubs h MET 251 Cb 1.03 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1ubs h MET 251 CO 0.06 0.48 0.05 -0.07 0.23 0.00 0.00 176.91 177.67 1ubs h LEU 252 N -0.23 0.58 -0.32 3.39 3.38 -1.39 -2.76 115.31 117.95 1ubs h LEU 252 Ca 0.02 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ubs h LEU 252 Cb 0.44 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1ubs h LEU 252 CO 0.01 0.70 -0.04 0.00 0.09 0.00 0.00 178.44 179.19 1ubs h ALA 253 N 0.90 0.25 -0.23 1.53 0.00 -1.54 0.13 119.26 120.29 1ubs h ALA 253 Ca 0.11 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ubs h ALA 253 Cb 0.37 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ubs h ALA 253 CO 0.01 -0.44 -0.22 1.49 0.00 0.00 0.00 179.25 180.09 1ubs h GLU 254 N 0.04 0.42 -0.13 0.00 4.81 -1.42 -2.57 114.58 115.73 1ubs h GLU 254 Ca 0.15 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1ubs h GLU 254 Cb 0.23 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ubs h GLU 254 CO -0.30 0.62 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.47 1ubs h LEU 255 N 0.38 0.29 -0.10 1.64 3.38 -1.14 -0.38 115.31 119.39 1ubs h LEU 255 Ca 0.06 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1ubs h LEU 255 Cb 0.60 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1ubs h LEU 255 CO 0.04 0.64 -0.38 -0.09 0.09 0.00 0.00 178.44 178.74 1ubs h ARG 256 N -0.06 -0.46 0.02 1.13 9.65 -0.65 -0.45 114.38 123.55 1ubs h ARG 256 Ca 0.03 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1ubs h ARG 256 Cb 0.53 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1ubs h ARG 256 CO 0.02 -0.31 -0.02 0.77 2.80 0.00 0.00 179.97 183.23 1ubs h SER 257 N -0.48 -0.05 -0.38 -3.80 0.02 -1.50 -2.04 113.55 105.33 1ubs h SER 257 Ca 0.08 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1ubs h SER 257 Cb 0.61 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1ubs h SER 257 CO -0.36 -0.03 0.12 0.15 -1.14 0.00 0.00 176.83 175.57 1ubs h PHE 258 N -0.04 0.21 -0.65 3.45 3.57 -0.77 -1.51 116.94 121.20 1ubs h PHE 258 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ubs h PHE 258 Cb 0.04 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1ubs h PHE 258 CO -0.09 0.08 0.28 0.28 -2.23 0.00 0.00 178.31 176.62 1ubs h VAL 259 N 0.27 1.23 -0.71 1.41 2.07 -0.94 -0.61 116.25 118.97 1ubs h VAL 259 Ca 0.17 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1ubs h VAL 259 Cb 0.17 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1ubs h VAL 259 CO -0.19 0.28 0.46 0.28 0.02 0.00 0.00 177.57 178.42 1ubs h SER 260 N 0.91 0.79 0.09 0.57 0.02 -1.12 0.37 113.55 115.18 1ubs h SER 260 Ca 0.22 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ubs h SER 260 Cb 0.18 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1ubs h SER 260 CO -0.02 0.57 -0.25 0.00 -1.14 0.00 0.00 176.83 175.99 1ubs h ALA 261 N 1.27 -0.40 -0.33 3.77 0.00 -0.91 0.15 119.26 122.81 1ubs h ALA 261 Ca 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1ubs h ALA 261 Cb -0.08 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ubs h ALA 261 CO -0.07 -0.78 -0.24 0.52 0.00 0.00 0.00 179.25 178.68 1ubs h MET 262 N -0.44 0.66 -0.26 0.00 2.86 -0.83 -3.09 114.93 113.84 1ubs h MET 262 Ca 0.04 -0.26 -0.19 0.00 -2.06 0.00 0.00 59.70 57.22 1ubs h MET 262 Cb 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1ubs h MET 262 CO -0.16 0.84 -0.58 -0.22 1.06 0.00 0.00 176.91 177.85 1ubs h LYS 263 N 0.58 0.85 -0.77 1.72 1.63 -0.74 -3.10 116.57 116.73 1ubs h LYS 263 Ca 0.08 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1ubs h LYS 263 Cb 0.72 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.39 1ubs h LYS 263 CO 0.06 1.20 0.50 0.00 -3.45 0.00 0.00 179.45 177.75 1ubs h ALA 264 N 0.65 1.42 0.00 5.00 0.00 -0.98 -2.31 119.26 123.04 1ubs h ALA 264 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ubs h ALA 264 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ubs h ALA 264 CO 0.13 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1ubs n ALA 265 N -2.42 2.44 -0.05 0.00 0.00 -1.17 -3.10 120.51 116.22 1ubs n ALA 265 Ca 0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1ubs n ALA 265 Cb 0.04 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 1ubs n ALA 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ubs n SER 266 N -1.07 0.75 -0.20 0.00 3.41 -0.87 -2.86 113.62 112.78 1ubs n SER 266 Ca 0.18 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 59.06 1ubs n SER 266 Cb 0.12 0.17 0.11 0.00 -0.26 0.00 0.00 64.21 64.35 1ubs n SER 266 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ubs h ARG 267 N 0.01 0.32 -0.01 4.33 3.08 -1.54 0.12 114.38 120.68 1ubs h ARG 267 Ca -0.38 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1ubs h ARG 267 Cb 2.08 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.06 1ubs h ARG 267 CO 0.06 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.17