#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur8 n ARG 4 N 0.00 2.38 -2.50 1.09 0.63 -1.26 -4.96 116.66 112.04 1ur8 n ARG 4 Ca 0.00 0.84 -0.39 0.00 -0.92 0.00 0.00 57.85 57.38 1ur8 n ARG 4 Cb 0.00 -2.52 -0.04 0.00 0.45 0.00 0.00 32.46 30.35 1ur8 n ARG 4 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ur8 s LYS 5 N -1.33 4.47 0.39 -0.14 -0.14 -1.26 -5.00 119.74 116.72 1ur8 s LYS 5 Ca 0.59 1.70 -0.25 0.00 -1.36 0.00 0.00 55.97 56.65 1ur8 s LYS 5 Cb -0.54 -2.96 -0.09 0.00 -1.68 0.00 0.00 37.83 32.56 1ur8 s LYS 5 CO 0.57 0.09 1.11 0.00 -0.76 0.00 0.00 175.35 176.36 1ur8 s ALA 6 N -1.33 3.14 -0.32 5.17 0.00 -0.19 -4.91 121.76 123.32 1ur8 s ALA 6 Ca 0.49 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1ur8 s ALA 6 Cb -0.29 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.61 1ur8 s ALA 6 CO 0.36 -0.37 0.12 0.08 0.00 0.00 0.00 175.76 175.95 1ur8 s VAL 7 N -1.49 0.83 -0.39 0.00 1.01 -1.25 -0.70 120.40 118.41 1ur8 s VAL 7 Ca 0.56 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1ur8 s VAL 7 Cb -0.27 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1ur8 s VAL 7 CO 0.34 -0.71 0.22 -0.63 0.00 0.00 0.00 175.10 174.32 1ur8 s ILE 8 N 1.51 4.49 -0.41 2.22 1.01 -0.52 -0.84 121.20 128.67 1ur8 s ILE 8 Ca 0.11 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1ur8 s ILE 8 Cb -0.18 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1ur8 s ILE 8 CO -0.23 -0.31 0.27 -0.83 0.00 0.00 0.00 174.94 173.84 1ur8 s GLY 9 N 1.72 1.98 0.57 6.18 0.00 0.30 -0.92 107.32 117.14 1ur8 s GLY 9 Ca 0.02 -1.84 -0.20 0.00 0.00 0.00 0.00 44.72 42.69 1ur8 s GLY 9 CO 0.05 0.92 1.29 -0.19 0.00 0.00 0.00 173.10 175.18 1ur8 s TYR 10 N 1.58 2.31 -0.18 1.90 1.51 -0.59 -1.25 117.35 122.63 1ur8 s TYR 10 Ca 0.03 1.44 -0.04 0.00 -1.01 0.00 0.00 57.07 57.49 1ur8 s TYR 10 Cb -0.20 -3.67 0.06 0.00 -0.11 0.00 0.00 41.96 38.03 1ur8 s TYR 10 CO 0.07 -2.64 0.07 -0.47 -1.11 0.00 0.00 175.55 171.47 1ur8 s TYR 11 N -1.40 0.49 -0.22 2.71 5.04 -0.11 -0.78 117.35 123.07 1ur8 s TYR 11 Ca 0.75 -0.51 -0.08 0.00 -2.44 0.00 0.00 57.07 54.79 1ur8 s TYR 11 Cb -0.37 -0.81 -0.04 0.00 0.35 0.00 0.00 41.96 41.10 1ur8 s TYR 11 CO 0.42 -0.55 0.08 0.12 -1.34 0.00 0.00 175.55 174.28 1ur8 s PHE 12 N 2.04 3.18 -0.26 4.97 5.36 -1.26 -1.11 117.98 130.89 1ur8 s PHE 12 Ca 0.01 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1ur8 s PHE 12 Cb -0.16 -2.18 0.07 0.00 -0.34 0.00 0.00 43.02 40.41 1ur8 s PHE 12 CO -0.09 -0.08 0.01 0.42 -1.46 0.00 0.00 175.22 174.02 1ur8 s ILE 13 N 1.03 1.31 0.71 3.12 -1.09 -1.09 -4.87 121.20 120.31 1ur8 s ILE 13 Ca 0.04 -1.31 -0.16 0.00 -2.23 0.00 0.00 60.65 57.00 1ur8 s ILE 13 Cb -0.14 -1.76 0.03 0.00 -1.58 0.00 0.00 42.46 39.01 1ur8 s ILE 13 CO 0.03 -0.32 1.25 -2.84 -1.23 0.00 0.00 174.94 171.83 1ur8 s PRO 14 N 1.46 2.18 0.34 2.79 0.02 -1.26 -4.65 135.00 135.87 1ur8 s PRO 14 Ca 0.01 1.92 0.10 0.00 0.02 0.00 0.00 61.00 63.05 1ur8 s PRO 14 Cb -0.18 -1.82 0.87 0.00 0.02 0.00 0.00 34.50 33.39 1ur8 s PRO 14 CO -0.11 -1.85 1.78 1.15 -0.33 0.00 0.00 177.00 177.64 1ur8 h THR 15 N -0.06 0.66 -0.55 0.99 2.02 -1.97 0.16 112.91 114.16 1ur8 h THR 15 Ca -0.49 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1ur8 h THR 15 Cb 1.32 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1ur8 h THR 15 CO 0.50 0.12 0.30 0.78 0.37 0.00 0.00 175.52 177.59 1ur8 h ASN 16 N 0.63 0.66 0.68 4.18 -0.26 -1.96 0.63 115.58 120.15 1ur8 h ASN 16 Ca 0.57 -0.04 -0.15 0.00 -0.56 0.00 0.00 56.30 56.12 1ur8 h ASN 16 Cb 1.07 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.14 1ur8 h ASN 16 CO -0.34 0.54 -0.70 1.56 -1.06 0.00 0.00 177.43 177.43 1ur8 h GLN 17 N 0.76 0.01 0.04 0.81 4.20 -1.01 -1.58 115.11 118.34 1ur8 h GLN 17 Ca 0.20 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ur8 h GLN 17 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1ur8 h GLN 17 CO -0.03 0.70 -0.02 0.82 -0.67 0.00 0.00 178.83 179.63 1ur8 h ILE 18 N 0.01 1.24 0.00 2.54 2.04 -0.55 0.89 117.51 123.68 1ur8 h ILE 18 Ca -0.01 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1ur8 h ILE 18 Cb 1.24 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1ur8 h ILE 18 CO 0.09 0.24 -0.03 0.78 0.00 0.00 0.00 178.15 179.23 1ur8 h ASN 19 N -0.49 0.00 -0.12 1.72 2.35 -0.90 -2.47 115.58 115.67 1ur8 h ASN 19 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1ur8 h ASN 19 Cb 0.44 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1ur8 h ASN 19 CO 0.01 0.03 -0.30 0.59 -1.65 0.00 0.00 177.43 176.11 1ur8 n ASN 20 N -4.43 2.08 -4.61 5.81 4.13 -0.60 -5.01 115.26 112.64 1ur8 n ASN 20 Ca -0.03 -3.77 -0.49 0.00 1.68 0.00 0.00 54.58 51.97 1ur8 n ASN 20 Cb 0.12 -0.56 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 1ur8 n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ur8 n TYR 21 N -1.13 1.62 -3.66 3.10 9.36 0.30 -4.83 117.16 121.91 1ur8 n TYR 21 Ca 0.24 0.58 -0.15 0.00 3.32 0.00 0.00 57.90 61.89 1ur8 n TYR 21 Cb 0.81 -2.36 -0.08 0.00 -0.63 0.00 0.00 39.34 37.08 1ur8 n TYR 21 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1ur8 s THR 22 N 0.16 0.01 -0.81 2.97 -1.32 -1.26 -5.04 115.64 110.34 1ur8 s THR 22 Ca 0.76 -0.10 0.16 0.00 -1.21 0.00 0.00 61.69 61.30 1ur8 s THR 22 Cb -0.83 -0.78 0.57 0.00 -1.51 0.00 0.00 72.50 69.95 1ur8 s THR 22 CO 0.48 -0.05 1.48 -0.62 -2.21 0.00 0.00 174.62 173.70 1ur8 n GLU 23 N 2.03 3.33 -0.15 7.08 1.02 -1.26 -4.46 120.64 128.23 1ur8 n GLU 23 Ca -0.16 -2.67 0.02 0.00 -0.02 0.00 0.00 57.16 54.33 1ur8 n GLU 23 Cb 0.56 -1.73 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1ur8 n GLU 23 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ur8 n THR 24 N 0.53 0.64 -3.32 2.62 -2.24 -1.26 -4.94 114.28 106.31 1ur8 n THR 24 Ca 0.21 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1ur8 n THR 24 Cb 0.78 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.40 1ur8 n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ur8 s ASP 25 N -1.14 1.31 0.00 3.42 -1.08 -1.26 -4.96 116.67 112.96 1ur8 s ASP 25 Ca 0.07 -2.24 0.00 0.00 -0.52 0.00 0.00 52.55 49.87 1ur8 s ASP 25 Cb 0.06 0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 1ur8 s ASP 25 CO 0.01 -0.21 0.55 0.35 0.52 0.00 0.00 175.17 176.38 1ur8 n THR 26 N 3.57 0.44 0.06 1.71 -2.24 -1.25 0.69 114.28 117.27 1ur8 n THR 26 Ca 0.19 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 62.05 1ur8 n THR 26 Cb 0.46 -1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 67.45 1ur8 n THR 26 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ur8 h SER 27 N 0.00 0.00 0.00 3.42 0.87 -1.93 -3.15 113.55 112.76 1ur8 h SER 27 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 1ur8 h SER 27 Cb 0.05 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 1ur8 h SER 27 CO 0.00 0.90 -2.48 0.52 -0.53 0.00 0.00 176.83 175.24 1ur8 n VAL 28 N -3.28 1.47 -3.81 2.23 0.31 0.22 -4.80 118.33 110.66 1ur8 n VAL 28 Ca -0.02 -0.48 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 1ur8 n VAL 28 Cb 0.91 -1.60 -0.15 0.00 -0.91 0.00 0.00 33.84 32.10 1ur8 n VAL 28 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ur8 s VAL 29 N -2.50 1.39 0.30 2.52 1.01 -0.80 -4.77 120.40 117.54 1ur8 s VAL 29 Ca -0.36 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 59.74 1ur8 s VAL 29 Cb 0.11 -2.03 0.28 0.00 0.00 0.00 0.00 36.38 34.75 1ur8 s VAL 29 CO 0.54 -0.69 1.91 -0.65 0.00 0.00 0.00 175.10 176.21 1ur8 h PRO 30 N 7.71 1.01 -2.69 2.72 0.11 -1.79 -3.32 132.00 135.74 1ur8 h PRO 30 Ca -0.09 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.36 1ur8 h PRO 30 Cb 1.00 -0.23 -0.39 0.00 0.11 0.00 0.00 31.00 31.49 1ur8 h PRO 30 CO 0.49 0.67 -0.82 0.12 -0.21 0.00 0.00 178.00 178.25 1ur8 s PHE 31 N -5.91 1.64 0.65 0.65 5.36 -1.26 -4.79 117.98 114.31 1ur8 s PHE 31 Ca -0.12 -2.36 -0.09 0.00 -0.96 0.00 0.00 56.93 53.40 1ur8 s PHE 31 Cb 0.20 -1.46 0.01 0.00 -0.34 0.00 0.00 43.02 41.43 1ur8 s PHE 31 CO 0.80 -0.77 1.01 -1.25 -1.46 0.00 0.00 175.22 173.55 1ur8 s PRO 32 N 0.12 2.92 0.45 10.12 0.04 -1.26 -4.91 135.00 142.48 1ur8 s PRO 32 Ca 0.24 0.28 0.23 0.00 0.04 0.00 0.00 61.00 61.79 1ur8 s PRO 32 Cb -0.11 -2.13 1.23 0.00 0.04 0.00 0.00 34.50 33.53 1ur8 s PRO 32 CO -0.09 -0.87 1.83 0.28 0.04 0.00 0.00 177.00 178.18 1ur8 h VAL 33 N -0.43 0.57 -0.02 -0.36 2.07 -1.96 0.23 116.25 116.34 1ur8 h VAL 33 Ca -0.45 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ur8 h VAL 33 Cb 1.25 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ur8 h VAL 33 CO 0.62 0.05 0.11 0.77 0.02 0.00 0.00 177.57 179.15 1ur8 h SER 34 N 0.27 0.00 0.76 0.57 4.64 -1.93 0.22 113.55 118.08 1ur8 h SER 34 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1ur8 h SER 34 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1ur8 h SER 34 CO -0.16 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.58 1ur8 h ASN 35 N 0.00 0.00 -2.19 4.97 4.21 -1.31 -3.36 115.58 117.90 1ur8 h ASN 35 Ca 0.01 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.83 1ur8 h ASN 35 Cb 0.23 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.27 1ur8 h ASN 35 CO -0.00 0.00 1.03 -0.63 -1.29 0.00 0.00 177.43 176.54 1ur8 s ILE 36 N -3.79 4.68 1.02 2.81 1.01 0.77 -4.98 121.20 122.72 1ur8 s ILE 36 Ca -0.00 -1.68 -0.14 0.00 0.00 0.00 0.00 60.65 58.83 1ur8 s ILE 36 Cb 0.10 -4.84 0.20 0.00 0.01 0.00 0.00 42.46 37.92 1ur8 s ILE 36 CO 0.51 -1.59 1.12 0.42 0.00 0.00 0.00 174.94 175.40 1ur8 s THR 37 N 2.78 1.92 0.27 2.92 -4.23 -1.26 -4.72 115.64 113.33 1ur8 s THR 37 Ca 0.36 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1ur8 s THR 37 Cb -0.04 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.48 1ur8 s THR 37 CO -0.07 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.25 1ur8 h PRO 38 N -1.93 1.14 -0.56 3.99 0.11 -1.95 0.02 132.00 132.82 1ur8 h PRO 38 Ca -0.51 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.51 1ur8 h PRO 38 Cb 1.32 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1ur8 h PRO 38 CO 0.53 0.76 0.27 0.00 -0.21 0.00 0.00 178.00 179.35 1ur8 h ALA 39 N 1.46 0.72 -0.20 -0.75 0.00 -1.95 -1.90 119.26 116.63 1ur8 h ALA 39 Ca 0.42 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1ur8 h ALA 39 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ur8 h ALA 39 CO -0.16 0.28 -0.40 0.87 0.00 0.00 0.00 179.25 179.84 1ur8 h LYS 40 N 0.76 0.47 -0.40 0.00 1.57 -1.74 -2.79 116.57 114.43 1ur8 h LYS 40 Ca 0.19 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ur8 h LYS 40 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1ur8 h LYS 40 CO -0.02 0.79 0.23 0.00 -0.57 0.00 0.00 179.45 179.88 1ur8 h ALA 41 N 1.18 1.66 0.00 3.86 0.00 -0.55 -1.24 119.26 124.17 1ur8 h ALA 41 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ur8 h ALA 41 Cb 0.87 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ur8 h ALA 41 CO 0.07 0.30 -0.01 0.87 0.00 0.00 0.00 179.25 180.48 1ur8 h LYS 42 N 0.55 0.00 0.00 0.00 1.57 -1.09 -3.09 116.57 114.51 1ur8 h LYS 42 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ur8 h LYS 42 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ur8 h LYS 42 CO -0.03 0.01 -0.25 1.96 -0.57 0.00 0.00 179.45 180.57 1ur8 h GLN 43 N 0.00 0.00 -6.01 3.15 4.20 -1.10 -3.46 115.11 111.89 1ur8 h GLN 43 Ca -0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 1ur8 h GLN 43 Cb 0.70 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1ur8 h GLN 43 CO 0.00 0.00 -0.52 -0.51 -0.67 0.00 0.00 178.83 177.13 1ur8 s LEU 44 N -4.82 4.21 -0.05 1.46 1.43 -1.16 -4.71 118.68 115.05 1ur8 s LEU 44 Ca 0.08 0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1ur8 s LEU 44 Cb 0.11 -2.82 -0.15 0.00 0.03 0.00 0.00 46.19 43.36 1ur8 s LEU 44 CO 0.66 0.14 0.16 0.35 0.23 0.00 0.00 176.35 177.89 1ur8 n THR 45 N 0.13 0.25 -3.79 5.49 -2.24 -0.02 -4.71 114.28 109.38 1ur8 n THR 45 Ca -0.06 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1ur8 n THR 45 Cb 0.52 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1ur8 n THR 45 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ur8 s HIS 46 N -2.56 -0.21 -0.15 4.78 3.76 -0.91 -1.86 115.29 118.15 1ur8 s HIS 46 Ca -0.04 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1ur8 s HIS 46 Cb 0.05 0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.84 1ur8 s HIS 46 CO 0.43 -0.22 -0.15 0.42 -0.85 0.00 0.00 174.74 174.36 1ur8 s ILE 47 N -0.47 1.63 -0.56 0.60 1.01 -0.35 -0.54 121.20 122.52 1ur8 s ILE 47 Ca -0.06 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 1ur8 s ILE 47 Cb -0.04 -1.52 0.14 0.00 0.01 0.00 0.00 42.46 41.05 1ur8 s ILE 47 CO 0.01 0.47 0.51 0.20 0.00 0.00 0.00 174.94 176.13 1ur8 s ASN 48 N 1.39 6.17 0.16 3.58 -0.87 -0.38 0.27 114.94 125.25 1ur8 s ASN 48 Ca 0.03 -1.91 -0.31 0.00 -1.57 0.00 0.00 52.86 49.10 1ur8 s ASN 48 Cb -0.13 -2.18 -0.10 0.00 -0.02 0.00 0.00 41.25 38.82 1ur8 s ASN 48 CO -0.10 -0.80 1.60 0.12 -2.57 0.00 0.00 177.10 175.35 1ur8 s PHE 49 N 1.40 2.95 -0.01 2.20 5.36 0.67 -0.93 117.98 129.62 1ur8 s PHE 49 Ca 0.05 0.55 0.04 0.00 -0.96 0.00 0.00 56.93 56.61 1ur8 s PHE 49 Cb -0.27 -3.96 -0.01 0.00 -0.34 0.00 0.00 43.02 38.44 1ur8 s PHE 49 CO 0.01 -3.59 -0.14 -1.12 -1.46 0.00 0.00 175.22 168.92 1ur8 s SER 50 N 1.35 1.68 0.05 6.13 0.01 -0.27 -0.40 113.70 122.25 1ur8 s SER 50 Ca 0.71 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.75 1ur8 s SER 50 Cb -0.44 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 1ur8 s SER 50 CO 0.31 0.17 -0.13 -0.36 0.41 0.00 0.00 173.24 173.65 1ur8 s PHE 51 N -0.36 1.09 0.54 2.43 0.08 -1.26 -2.68 117.98 117.82 1ur8 s PHE 51 Ca 0.05 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.78 1ur8 s PHE 51 Cb -0.06 -0.64 0.06 0.00 -0.57 0.00 0.00 43.02 41.81 1ur8 s PHE 51 CO -0.00 0.02 0.74 -0.51 -0.10 0.00 0.00 175.22 175.37 1ur8 s LEU 52 N -1.32 3.29 0.00 -0.37 1.02 0.60 -4.71 118.68 117.19 1ur8 s LEU 52 Ca -0.01 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.60 1ur8 s LEU 52 Cb -0.08 -2.13 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 1ur8 s LEU 52 CO 0.01 -1.19 0.11 -0.67 0.02 0.00 0.00 176.35 174.63 1ur8 n ASP 53 N -2.19 -0.11 -4.11 2.29 2.03 -0.21 -0.84 116.55 113.40 1ur8 n ASP 53 Ca 0.12 -1.93 -0.33 0.00 0.52 0.00 0.00 54.79 53.17 1ur8 n ASP 53 Cb 0.60 0.68 -0.15 0.00 -0.72 0.00 0.00 41.12 41.53 1ur8 n ASP 53 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ur8 s ILE 54 N -2.52 2.35 0.94 5.18 1.01 -1.26 -1.53 121.20 125.36 1ur8 s ILE 54 Ca 0.16 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 1ur8 s ILE 54 Cb 0.01 -2.27 0.22 0.00 0.01 0.00 0.00 42.46 40.43 1ur8 s ILE 54 CO 0.11 0.12 1.07 -0.46 0.00 0.00 0.00 174.94 175.78 1ur8 n ASN 55 N 4.53 -0.75 0.15 3.58 0.23 -0.69 -4.75 115.26 117.56 1ur8 n ASN 55 Ca -0.16 -1.28 0.13 0.00 -0.53 0.00 0.00 54.58 52.74 1ur8 n ASN 55 Cb 0.45 -0.88 0.48 0.00 -2.08 0.00 0.00 39.78 37.75 1ur8 n ASN 55 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ur8 h SER 56 N -1.92 0.00 0.00 0.53 4.64 -1.97 -0.76 113.55 114.08 1ur8 h SER 56 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ur8 h SER 56 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ur8 h SER 56 CO 0.25 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.80 1ur8 n ASN 57 N -2.38 0.00 -3.12 4.97 5.03 -1.26 -4.87 115.26 113.63 1ur8 n ASN 57 Ca 0.03 -1.43 -0.23 0.00 0.87 0.00 0.00 54.58 53.82 1ur8 n ASN 57 Cb 0.30 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.09 1ur8 n ASN 57 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ur8 n LEU 58 N -0.75 -2.61 -4.33 3.41 4.77 -0.29 -5.01 117.00 112.18 1ur8 n LEU 58 Ca 0.12 -0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.57 1ur8 n LEU 58 Cb 0.05 -2.88 -0.11 0.00 -2.33 0.00 0.00 43.42 38.15 1ur8 n LEU 58 CO 0.09 0.26 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.34 1ur8 s GLU 59 N -5.81 1.28 0.31 3.23 2.02 -1.25 -4.34 118.70 114.14 1ur8 s GLU 59 Ca 0.34 -1.46 -0.29 0.00 0.02 0.00 0.00 54.97 53.59 1ur8 s GLU 59 Cb -0.16 -1.23 -0.10 0.00 0.10 0.00 0.00 34.13 32.74 1ur8 s GLU 59 CO 0.43 0.23 1.39 0.00 0.02 0.00 0.00 175.26 177.33 1ur8 s ALA 61 N -0.77 -1.82 0.60 0.00 0.00 -0.59 -4.87 121.76 114.30 1ur8 s ALA 61 Ca 0.53 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 1ur8 s ALA 61 Cb -0.42 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1ur8 s ALA 61 CO 0.52 -0.56 1.06 -1.58 0.00 0.00 0.00 175.76 175.20 1ur8 s TRP 62 N -2.42 2.99 0.20 0.00 0.52 -1.26 -1.05 118.94 117.92 1ur8 s TRP 62 Ca 0.01 1.51 -0.32 0.00 0.02 0.00 0.00 56.10 57.32 1ur8 s TRP 62 Cb -0.01 -3.00 -0.15 0.00 -1.15 0.00 0.00 33.47 29.16 1ur8 s TRP 62 CO -0.04 -1.13 1.22 -3.47 0.02 0.00 0.00 176.95 173.55 1ur8 n ASP 63 N -2.08 1.73 -0.29 2.95 4.64 -1.26 -4.81 116.55 117.43 1ur8 n ASP 63 Ca 0.09 1.14 0.26 0.00 -1.38 0.00 0.00 54.79 54.90 1ur8 n ASP 63 Cb 0.53 -1.28 0.59 0.00 -1.04 0.00 0.00 41.12 39.92 1ur8 n ASP 63 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1ur8 h PRO 64 N 3.54 0.25 0.00 -0.67 0.11 -2.03 -0.23 132.00 132.97 1ur8 h PRO 64 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ur8 h PRO 64 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ur8 h PRO 64 CO 0.71 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1ur8 n ALA 65 N -2.58 2.43 -2.07 -0.75 0.00 -1.26 -4.87 120.51 111.41 1ur8 n ALA 65 Ca 0.23 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1ur8 n ALA 65 Cb 0.94 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1ur8 n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ur8 s THR 66 N -2.25 3.67 -0.90 0.00 2.01 -0.10 -4.97 115.64 113.09 1ur8 s THR 66 Ca 0.34 1.41 -0.25 0.00 0.31 0.00 0.00 61.69 63.50 1ur8 s THR 66 Cb 0.18 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.83 1ur8 s THR 66 CO 0.35 0.23 1.48 0.21 -0.69 0.00 0.00 174.62 176.20 1ur8 s ASN 67 N 0.09 6.19 0.56 3.53 3.84 -1.26 -4.88 114.94 123.00 1ur8 s ASN 67 Ca 0.52 -0.98 0.36 0.00 0.21 0.00 0.00 52.86 52.97 1ur8 s ASN 67 Cb -0.32 -2.56 1.49 0.00 -0.55 0.00 0.00 41.25 39.31 1ur8 s ASN 67 CO 0.36 -1.79 1.73 -0.78 -2.79 0.00 0.00 177.10 173.83 1ur8 h ASP 68 N 10.32 0.00 0.13 -4.21 3.58 -1.96 -0.88 116.42 123.39 1ur8 h ASP 68 Ca 0.02 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.23 1ur8 h ASP 68 Cb 1.03 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.11 1ur8 h ASP 68 CO 1.35 0.00 -1.03 0.00 -2.88 0.00 0.00 179.24 176.68 1ur8 h ALA 69 N 1.25 -0.05 -0.59 -0.78 0.00 -1.99 -2.01 119.26 115.10 1ur8 h ALA 69 Ca 0.55 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ur8 h ALA 69 Cb 2.38 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 20.26 1ur8 h ALA 69 CO -0.01 0.53 0.08 0.87 0.00 0.00 0.00 179.25 180.72 1ur8 h LYS 70 N -0.02 0.98 0.17 0.00 1.79 -1.52 -1.79 116.57 116.18 1ur8 h LYS 70 Ca -0.16 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 1ur8 h LYS 70 Cb 1.76 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1ur8 h LYS 70 CO 0.20 0.94 -0.08 0.00 -1.08 0.00 0.00 179.45 179.42 1ur8 h ALA 71 N 1.00 -0.23 -0.51 3.86 0.00 -1.32 0.10 119.26 122.17 1ur8 h ALA 71 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ur8 h ALA 71 Cb 0.44 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ur8 h ALA 71 CO 0.01 -0.63 0.34 0.00 0.00 0.00 0.00 179.25 178.98 1ur8 h ARG 72 N -0.24 0.57 -0.36 0.00 3.08 -1.27 0.10 114.38 116.26 1ur8 h ARG 72 Ca -0.02 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1ur8 h ARG 72 Cb 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ur8 h ARG 72 CO 0.04 0.38 -0.42 0.22 -1.07 0.00 0.00 179.97 179.12 1ur8 h ASP 73 N 0.59 0.99 -0.33 7.04 3.58 -0.69 -0.39 116.42 127.22 1ur8 h ASP 73 Ca 0.20 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 1ur8 h ASP 73 Cb 0.08 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1ur8 h ASP 73 CO -0.05 1.27 0.05 0.58 -2.88 0.00 0.00 179.24 178.21 1ur8 h VAL 74 N 0.74 1.24 -0.62 2.25 2.07 0.10 -1.84 116.25 120.19 1ur8 h VAL 74 Ca 0.05 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1ur8 h VAL 74 Cb 1.01 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1ur8 h VAL 74 CO 0.10 0.27 0.28 0.58 0.02 0.00 0.00 177.57 178.82 1ur8 h VAL 75 N 0.38 1.21 -0.38 2.57 2.07 -0.93 -2.48 116.25 118.69 1ur8 h VAL 75 Ca 0.10 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1ur8 h VAL 75 Cb 0.35 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1ur8 h VAL 75 CO 0.01 0.25 -0.14 0.78 0.02 0.00 0.00 177.57 178.49 1ur8 h ASN 76 N 0.88 0.67 -0.31 0.57 2.35 -0.75 -0.24 115.58 118.74 1ur8 h ASN 76 Ca 0.21 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1ur8 h ASN 76 Cb 0.12 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1ur8 h ASN 76 CO -0.02 0.83 -0.01 0.03 -1.65 0.00 0.00 177.43 176.60 1ur8 h ARG 77 N 0.61 0.66 -0.06 0.81 3.08 -0.91 -0.60 114.38 117.97 1ur8 h ARG 77 Ca 0.10 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ur8 h ARG 77 Cb 0.59 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ur8 h ARG 77 CO 0.04 0.69 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.50 1ur8 h LEU 78 N 0.63 0.16 -1.87 3.04 3.38 -0.94 -3.06 115.31 116.65 1ur8 h LEU 78 Ca 0.13 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1ur8 h LEU 78 Cb 0.41 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ur8 h LEU 78 CO 0.02 0.61 -0.10 0.71 0.09 0.00 0.00 178.44 179.76 1ur8 h THR 79 N -0.29 0.43 0.00 0.22 1.35 -0.91 -0.54 112.91 113.18 1ur8 h THR 79 Ca 0.01 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 1ur8 h THR 79 Cb 0.56 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1ur8 h THR 79 CO 0.01 0.10 -0.11 0.00 -0.25 0.00 0.00 175.52 175.28 1ur8 h ALA 80 N 1.90 1.18 0.00 6.62 0.00 -1.00 -1.54 119.26 126.41 1ur8 h ALA 80 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ur8 h ALA 80 Cb 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ur8 h ALA 80 CO 0.01 0.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.30 1ur8 h LEU 81 N 0.00 0.00 -2.15 0.00 3.38 -1.08 -2.49 115.31 112.97 1ur8 h LEU 81 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ur8 h LEU 81 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ur8 h LEU 81 CO 0.01 0.03 0.00 0.11 0.09 0.00 0.00 178.44 178.69 1ur8 h LYS 82 N 0.00 0.00 0.00 1.13 1.57 -1.42 -1.07 116.57 116.79 1ur8 h LYS 82 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ur8 h LYS 82 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1ur8 h LYS 82 CO 0.00 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 178.71 1ur8 h ALA 83 N 2.02 1.52 -0.00 3.86 0.00 -1.65 -2.66 119.26 122.36 1ur8 h ALA 83 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ur8 h ALA 83 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ur8 h ALA 83 CO 0.00 0.21 -0.59 0.72 0.00 0.00 0.00 179.25 179.59 1ur8 n HIS 84 N -4.05 0.00 -3.33 0.00 8.25 -0.41 -4.77 115.22 110.91 1ur8 n HIS 84 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1ur8 n HIS 84 Cb 0.25 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.14 1ur8 n HIS 84 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ur8 s ASN 85 N -2.89 0.69 0.06 0.41 3.04 -1.00 -4.66 114.94 110.60 1ur8 s ASN 85 Ca 0.13 -0.58 0.08 0.00 0.04 0.00 0.00 52.86 52.53 1ur8 s ASN 85 Cb 0.17 0.95 0.40 0.00 -1.54 0.00 0.00 41.25 41.23 1ur8 s ASN 85 CO 0.71 -0.35 1.26 -0.81 -3.04 0.00 0.00 177.10 174.87 1ur8 n PRO 86 N 5.23 0.03 0.00 0.43 -0.04 -1.25 -1.42 135.00 137.98 1ur8 n PRO 86 Ca 0.01 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1ur8 n PRO 86 Cb 0.48 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1ur8 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ur8 n SER 87 N -1.66 1.26 -4.74 3.54 7.64 -1.26 -4.97 113.62 113.42 1ur8 n SER 87 Ca 0.01 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 1ur8 n SER 87 Cb 0.06 0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1ur8 n SER 87 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ur8 s LEU 88 N -2.81 4.46 -0.08 -3.43 2.96 -0.51 -4.86 118.68 114.42 1ur8 s LEU 88 Ca 0.12 2.31 0.04 0.00 -0.22 0.00 0.00 54.13 56.39 1ur8 s LEU 88 Cb 0.17 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 1ur8 s LEU 88 CO 0.74 -0.37 -0.23 -0.13 -1.32 0.00 0.00 176.35 175.04 1ur8 s ARG 89 N -0.60 2.69 -0.53 1.98 0.52 -0.78 -4.92 118.95 117.31 1ur8 s ARG 89 Ca 0.51 -0.82 -0.17 0.00 -0.52 0.00 0.00 55.73 54.74 1ur8 s ARG 89 Cb -0.34 -2.12 0.11 0.00 0.52 0.00 0.00 34.95 33.12 1ur8 s ARG 89 CO 0.39 0.22 0.53 0.42 0.02 0.00 0.00 175.30 176.88 1ur8 s ILE 90 N 0.22 5.12 0.49 1.52 -1.09 -1.26 -1.22 121.20 124.97 1ur8 s ILE 90 Ca -0.13 -1.24 -0.02 0.00 -2.23 0.00 0.00 60.65 57.02 1ur8 s ILE 90 Cb -0.16 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.39 1ur8 s ILE 90 CO 0.07 -0.86 0.74 -0.04 -1.23 0.00 0.00 174.94 173.62 1ur8 s MET 91 N 1.89 3.13 0.07 2.79 -1.94 0.14 0.18 119.30 125.56 1ur8 s MET 91 Ca 0.06 -0.24 0.09 0.00 -1.71 0.00 0.00 55.69 53.89 1ur8 s MET 91 Cb -0.27 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 1ur8 s MET 91 CO 0.05 -0.35 -0.25 -0.59 -0.01 0.00 0.00 175.02 173.87 1ur8 s PHE 92 N -2.69 2.16 -0.10 -0.03 -0.71 -1.01 -0.23 117.98 115.37 1ur8 s PHE 92 Ca 0.49 -0.40 0.01 0.00 -1.04 0.00 0.00 56.93 55.99 1ur8 s PHE 92 Cb -0.10 -1.26 -0.02 0.00 -1.21 0.00 0.00 43.02 40.43 1ur8 s PHE 92 CO 0.41 0.17 -0.11 0.45 -1.34 0.00 0.00 175.22 174.80 1ur8 s SER 93 N -1.46 4.20 -0.23 1.98 0.15 0.47 -1.22 113.70 117.59 1ur8 s SER 93 Ca 0.11 -0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.46 1ur8 s SER 93 Cb -0.10 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1ur8 s SER 93 CO 0.03 0.24 0.08 -0.63 1.20 0.00 0.00 173.24 174.16 1ur8 s ILE 94 N -0.11 4.59 0.00 6.45 1.01 -0.18 -0.29 121.20 132.67 1ur8 s ILE 94 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1ur8 s ILE 94 Cb -0.14 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1ur8 s ILE 94 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1ur8 n GLY 95 N 4.43 0.18 0.00 6.18 0.00 -0.02 0.02 105.19 115.98 1ur8 n GLY 95 Ca -0.16 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1ur8 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur8 n GLY 96 N 0.00 0.59 0.13 -0.02 0.00 0.17 -4.36 105.19 101.69 1ur8 n GLY 96 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 1ur8 n GLY 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1ur8 h TRP 97 N 0.00 -0.20 -0.10 1.61 2.91 -1.95 -2.46 115.95 115.76 1ur8 h TRP 97 Ca 0.00 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.07 1ur8 h TRP 97 Cb 0.00 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 1ur8 h TRP 97 CO 0.00 -0.13 -0.44 -0.92 -1.03 0.00 0.00 178.44 175.92 1ur8 h TYR 98 N -0.09 -1.27 -0.14 2.65 3.20 -1.98 -1.96 116.97 117.39 1ur8 h TYR 98 Ca 0.07 0.05 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 1ur8 h TYR 98 Cb 0.20 0.57 0.01 0.00 1.54 0.00 0.00 36.73 39.04 1ur8 h TYR 98 CO -0.20 -0.49 -0.52 1.88 -1.64 0.00 0.00 178.16 177.18 1ur8 h TYR 99 N -0.53 0.79 -0.01 -3.82 0.05 -1.76 -3.19 116.97 108.51 1ur8 h TYR 99 Ca 0.06 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1ur8 h TYR 99 Cb 0.64 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1ur8 h TYR 99 CO -0.49 1.11 -0.65 -1.13 -1.05 0.00 0.00 178.16 175.96 1ur8 n SER 100 N -4.19 1.45 -4.75 3.88 3.41 -0.93 -1.28 113.62 111.21 1ur8 n SER 100 Ca -0.07 -1.17 -0.34 0.00 -0.26 0.00 0.00 58.87 57.02 1ur8 n SER 100 Cb 0.61 0.62 0.06 0.00 -0.26 0.00 0.00 64.21 65.24 1ur8 n SER 100 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ur8 s ASN 101 N -2.71 4.77 0.27 4.04 2.20 -0.74 -4.26 114.94 118.51 1ur8 s ASN 101 Ca 0.15 2.18 0.15 0.00 -0.94 0.00 0.00 52.86 54.40 1ur8 s ASN 101 Cb 0.17 -2.57 0.99 0.00 -2.00 0.00 0.00 41.25 37.85 1ur8 s ASN 101 CO 0.68 -1.87 1.18 0.47 -2.94 0.00 0.00 177.10 174.63 1ur8 n ASP 102 N -2.43 0.25 -0.95 3.54 9.92 -1.25 0.14 116.55 125.77 1ur8 n ASP 102 Ca 0.12 1.24 0.08 0.00 -0.53 0.00 0.00 54.79 55.69 1ur8 n ASP 102 Cb 0.51 -0.60 0.23 0.00 -0.64 0.00 0.00 41.12 40.62 1ur8 n ASP 102 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ur8 n LEU 103 N -4.70 3.59 -4.82 0.64 4.77 -1.26 -4.88 117.00 110.34 1ur8 n LEU 103 Ca 0.28 -2.30 -0.30 0.00 -0.03 0.00 0.00 56.01 53.66 1ur8 n LEU 103 Cb 0.95 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.72 1ur8 n LEU 103 CO 0.01 0.76 0.72 -0.83 -1.33 0.00 0.00 177.39 176.71 1ur8 s GLY 104 N -1.18 1.64 0.61 -0.72 0.00 0.38 -4.96 107.32 103.08 1ur8 s GLY 104 Ca 0.35 -0.12 0.29 0.00 0.00 0.00 0.00 44.72 45.24 1ur8 s GLY 104 CO 0.18 0.26 1.97 -0.39 0.00 0.00 0.00 173.10 175.12 1ur8 h VAL 105 N -0.91 0.31 0.00 1.40 -1.51 -1.65 -2.94 116.25 110.95 1ur8 h VAL 105 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1ur8 h VAL 105 Cb 1.25 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1ur8 h VAL 105 CO 0.59 0.00 -0.06 -1.20 -1.23 0.00 0.00 177.57 175.67 1ur8 n SER 106 N -3.55 1.32 -0.27 4.19 7.64 -0.40 -4.87 113.62 117.67 1ur8 n SER 106 Ca 0.04 -1.94 0.04 0.00 1.01 0.00 0.00 58.87 58.01 1ur8 n SER 106 Cb 0.49 -0.10 0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1ur8 n SER 106 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ur8 h HIS 107 N 0.00 -0.28 -0.91 1.43 6.17 -1.29 -0.07 115.15 120.20 1ur8 h HIS 107 Ca 0.00 0.07 0.16 0.00 0.71 0.00 0.00 60.37 61.31 1ur8 h HIS 107 Cb 0.82 0.25 -0.10 0.00 2.52 0.00 0.00 27.41 30.90 1ur8 h HIS 107 CO 0.01 -0.31 0.50 0.00 0.71 0.00 0.00 177.93 178.84 1ur8 h ALA 108 N 1.77 1.43 -0.78 5.26 0.00 -1.89 -1.06 119.26 123.99 1ur8 h ALA 108 Ca 0.40 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1ur8 h ALA 108 Cb 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1ur8 h ALA 108 CO -0.77 -0.08 0.51 -0.91 0.00 0.00 0.00 179.25 178.01 1ur8 h ASN 109 N 0.67 0.81 -0.15 0.00 -0.26 -1.29 -0.98 115.58 114.38 1ur8 h ASN 109 Ca 0.51 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 56.15 1ur8 h ASN 109 Cb 0.75 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1ur8 h ASN 109 CO -0.38 0.56 -0.28 1.88 -1.06 0.00 0.00 177.43 178.15 1ur8 h TYR 110 N 0.94 0.57 -0.72 1.19 -1.99 -1.17 -0.75 116.97 115.04 1ur8 h TYR 110 Ca 0.31 -0.20 0.03 0.00 2.00 0.00 0.00 58.73 60.87 1ur8 h TYR 110 Cb 0.07 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.65 1ur8 h TYR 110 CO -0.00 0.91 0.45 0.28 -0.00 0.00 0.00 178.16 179.80 1ur8 h VAL 111 N 0.07 1.10 0.07 -2.88 2.07 -1.11 -3.07 116.25 112.51 1ur8 h VAL 111 Ca 0.01 -0.30 -0.24 0.00 0.82 0.00 0.00 66.70 66.98 1ur8 h VAL 111 Cb 0.87 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1ur8 h VAL 111 CO 0.06 0.16 -1.11 0.78 0.02 0.00 0.00 177.57 177.48 1ur8 h ASN 112 N 0.89 0.29 0.00 0.57 -0.26 -1.20 -3.22 115.58 112.65 1ur8 h ASN 112 Ca 0.29 -0.30 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1ur8 h ASN 112 Cb 0.01 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1ur8 h ASN 112 CO -0.11 1.21 -0.02 0.00 -1.06 0.00 0.00 177.43 177.45 1ur8 h ALA 113 N 0.75 1.90 -0.19 -0.83 0.00 -1.03 -2.40 119.26 117.46 1ur8 h ALA 113 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ur8 h ALA 113 Cb 1.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ur8 h ALA 113 CO 0.17 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1ur8 n VAL 114 N -4.48 0.24 -0.14 0.00 0.24 -1.20 -2.64 118.33 110.35 1ur8 n VAL 114 Ca -0.02 -0.62 -0.08 0.00 -2.04 0.00 0.00 64.34 61.58 1ur8 n VAL 114 Cb 0.12 1.23 0.01 0.00 -1.47 0.00 0.00 33.84 33.73 1ur8 n VAL 114 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1ur8 h LYS 115 N 4.37 0.59 -5.62 7.34 1.57 -1.43 -3.42 116.57 119.97 1ur8 h LYS 115 Ca 0.00 -0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 58.27 1ur8 h LYS 115 Cb 0.95 -0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.99 1ur8 h LYS 115 CO 0.00 0.42 -0.73 0.95 -0.57 0.00 0.00 179.45 179.52 1ur8 s THR 116 N -6.04 1.80 0.39 -0.16 -4.23 -1.26 -4.98 115.64 101.16 1ur8 s THR 116 Ca -0.13 -2.23 0.11 0.00 -1.18 0.00 0.00 61.69 58.26 1ur8 s THR 116 Cb 0.11 -2.09 0.33 0.00 1.34 0.00 0.00 72.50 72.19 1ur8 s THR 116 CO 0.73 -0.56 1.92 -0.65 -0.54 0.00 0.00 174.62 175.52 1ur8 h PRO 117 N 2.52 0.56 -0.02 3.99 0.11 -1.96 0.68 132.00 137.87 1ur8 h PRO 117 Ca -0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1ur8 h PRO 117 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ur8 h PRO 117 CO 0.62 0.37 -0.02 0.00 -0.21 0.00 0.00 178.00 178.77 1ur8 h ALA 118 N 1.63 0.03 -0.66 -0.75 0.00 -1.97 -0.35 119.26 117.19 1ur8 h ALA 118 Ca 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ur8 h ALA 118 Cb 0.62 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ur8 h ALA 118 CO -0.13 -0.22 0.26 0.66 0.00 0.00 0.00 179.25 179.82 1ur8 h SER 119 N -0.42 0.91 -0.78 0.00 4.64 -1.50 -0.42 113.55 115.98 1ur8 h SER 119 Ca 0.00 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1ur8 h SER 119 Cb 0.50 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1ur8 h SER 119 CO 0.00 0.83 0.46 0.03 -0.87 0.00 0.00 176.83 177.29 1ur8 h ARG 120 N 0.93 1.06 -0.26 4.77 3.08 0.55 0.11 114.38 124.62 1ur8 h ARG 120 Ca 0.22 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1ur8 h ARG 120 Cb 0.21 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1ur8 h ARG 120 CO -0.02 0.75 -0.02 0.00 -1.07 0.00 0.00 179.97 179.62 1ur8 h ALA 121 N 1.24 0.36 -0.25 0.04 0.00 -0.72 0.45 119.26 120.37 1ur8 h ALA 121 Ca 0.28 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ur8 h ALA 121 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ur8 h ALA 121 CO -0.05 0.12 -0.11 -0.22 0.00 0.00 0.00 179.25 178.99 1ur8 h LYS 122 N 0.25 0.41 0.05 0.00 3.64 -0.78 -1.52 116.57 118.63 1ur8 h LYS 122 Ca 0.07 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ur8 h LYS 122 Cb 0.46 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1ur8 h LYS 122 CO 0.02 0.53 -0.03 0.35 -2.27 0.00 0.00 179.45 178.05 1ur8 h PHE 123 N 0.39 -0.07 -0.58 1.91 3.57 -0.60 -2.41 116.94 119.15 1ur8 h PHE 123 Ca 0.08 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.69 1ur8 h PHE 123 Cb 0.43 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.09 1ur8 h PHE 123 CO 0.01 0.53 0.01 0.00 -2.23 0.00 0.00 178.31 176.63 1ur8 h ALA 124 N 0.07 0.57 -0.69 2.41 0.00 -0.84 0.16 119.26 120.94 1ur8 h ALA 124 Ca -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ur8 h ALA 124 Cb 0.63 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1ur8 h ALA 124 CO 0.01 -0.38 0.29 1.96 0.00 0.00 0.00 179.25 181.13 1ur8 h GLN 125 N 0.13 1.01 -0.01 0.00 4.20 -1.34 -1.82 115.11 117.28 1ur8 h GLN 125 Ca 0.30 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 1ur8 h GLN 125 Cb 0.48 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1ur8 h GLN 125 CO -0.49 0.82 -0.36 0.66 -0.67 0.00 0.00 178.83 178.79 1ur8 h SER 126 N 1.00 0.03 0.03 1.46 4.64 -0.50 -1.26 113.55 118.94 1ur8 h SER 126 Ca 0.24 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1ur8 h SER 126 Cb 0.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ur8 h SER 126 CO -0.02 0.38 -0.01 0.00 -0.87 0.00 0.00 176.83 176.31 1ur8 h VAL 128 N -0.22 1.25 -0.22 0.00 2.07 -1.31 -0.72 116.25 117.10 1ur8 h VAL 128 Ca -0.00 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1ur8 h VAL 128 Cb 0.20 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ur8 h VAL 128 CO 0.01 0.34 0.06 0.03 0.02 0.00 0.00 177.57 178.03 1ur8 h ARG 129 N 0.92 0.35 -0.57 1.57 3.08 -1.09 -0.36 114.38 118.28 1ur8 h ARG 129 Ca 0.19 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1ur8 h ARG 129 Cb 0.35 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1ur8 h ARG 129 CO 0.00 0.46 0.36 0.82 -1.07 0.00 0.00 179.97 180.54 1ur8 h ILE 130 N 0.17 1.10 0.16 2.04 1.08 -0.92 0.20 117.51 121.35 1ur8 h ILE 130 Ca 0.07 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1ur8 h ILE 130 Cb 0.27 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1ur8 h ILE 130 CO 0.00 0.13 -0.28 -0.03 -0.69 0.00 0.00 178.15 177.28 1ur8 h MET 131 N 0.73 -0.50 -0.40 2.37 4.05 -0.69 -1.77 114.93 118.72 1ur8 h MET 131 Ca 0.22 0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.59 1ur8 h MET 131 Cb -0.03 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1ur8 h MET 131 CO -0.07 -0.33 -0.11 0.87 0.23 0.00 0.00 176.91 177.49 1ur8 h LYS 132 N -0.52 0.71 -0.45 0.39 1.79 -0.87 -0.24 116.57 117.39 1ur8 h LYS 132 Ca 0.02 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 58.15 1ur8 h LYS 132 Cb 0.53 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1ur8 h LYS 132 CO -0.13 0.80 -0.16 0.22 -1.08 0.00 0.00 179.45 179.09 1ur8 h ASP 133 N 0.65 0.87 0.04 0.86 1.82 -0.36 -3.20 116.42 117.09 1ur8 h ASP 133 Ca 0.11 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1ur8 h ASP 133 Cb 0.56 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1ur8 h ASP 133 CO 0.03 1.02 -0.39 -1.22 -1.61 0.00 0.00 179.24 177.08 1ur8 n TYR 134 N -4.13 0.00 -0.86 0.28 4.02 -0.68 -4.97 117.16 110.81 1ur8 n TYR 134 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1ur8 n TYR 134 Cb 0.41 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1ur8 n TYR 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ur8 n GLY 135 N 1.39 0.59 3.80 2.72 0.00 -0.66 -4.79 105.19 108.25 1ur8 n GLY 135 Ca 0.10 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1ur8 n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ur8 s PHE 136 N -2.00 2.87 -1.41 1.61 0.08 -0.19 -4.93 117.98 114.01 1ur8 s PHE 136 Ca 0.00 1.22 0.13 0.00 0.12 0.00 0.00 56.93 58.40 1ur8 s PHE 136 Cb 0.00 -3.07 0.22 0.00 -0.57 0.00 0.00 43.02 39.60 1ur8 s PHE 136 CO 0.00 -1.67 1.09 -0.25 -0.10 0.00 0.00 175.22 174.29 1ur8 n ASP 137 N -3.38 2.55 0.00 1.36 8.00 0.13 -4.68 116.55 120.53 1ur8 n ASP 137 Ca 0.07 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1ur8 n ASP 137 Cb 0.56 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1ur8 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ur8 n GLY 138 N 0.73 -0.07 3.16 0.44 0.00 -1.26 -2.94 105.19 105.25 1ur8 n GLY 138 Ca 0.10 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1ur8 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ur8 s VAL 139 N -2.00 1.92 -0.13 1.61 1.01 -0.01 -2.40 120.40 120.41 1ur8 s VAL 139 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1ur8 s VAL 139 Cb 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1ur8 s VAL 139 CO 0.00 0.53 -0.19 -0.62 0.00 0.00 0.00 175.10 174.82 1ur8 s ASP 140 N 0.71 3.47 -0.23 3.32 2.15 -0.36 -1.02 116.67 124.71 1ur8 s ASP 140 Ca -0.11 -0.49 -0.07 0.00 0.43 0.00 0.00 52.55 52.32 1ur8 s ASP 140 Cb -0.16 -1.51 -0.03 0.00 -0.30 0.00 0.00 42.92 40.92 1ur8 s ASP 140 CO 0.01 0.13 0.07 -0.63 -0.17 0.00 0.00 175.17 174.58 1ur8 s ILE 141 N 0.54 4.42 -0.66 4.11 -1.09 -0.33 -1.01 121.20 127.18 1ur8 s ILE 141 Ca -0.12 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 1ur8 s ILE 141 Cb -0.16 -3.04 0.29 0.00 -1.58 0.00 0.00 42.46 37.96 1ur8 s ILE 141 CO 0.04 0.37 0.91 -0.67 -1.23 0.00 0.00 174.94 174.36 1ur8 n ASP 142 N 4.52 4.34 -4.57 3.58 2.03 0.10 -1.30 116.55 125.26 1ur8 n ASP 142 Ca -0.16 -3.54 -0.41 0.00 0.52 0.00 0.00 54.79 51.20 1ur8 n ASP 142 Cb 0.52 -0.69 -0.07 0.00 -0.72 0.00 0.00 41.12 40.15 1ur8 n ASP 142 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1ur8 s TRP 143 N -2.92 3.19 -0.77 -0.67 -0.00 -1.26 -0.66 118.94 115.85 1ur8 s TRP 143 Ca 0.42 0.30 -0.01 0.00 -0.00 0.00 0.00 56.10 56.81 1ur8 s TRP 143 Cb 0.19 -2.94 0.19 0.00 -0.00 0.00 0.00 33.47 30.91 1ur8 s TRP 143 CO -0.05 -0.52 0.62 -1.21 -0.00 0.00 0.00 176.95 175.79 1ur8 s GLU 144 N 2.46 2.91 -0.00 5.86 2.02 -1.26 -4.10 118.70 126.58 1ur8 s GLU 144 Ca 0.21 -3.02 -0.21 0.00 0.02 0.00 0.00 54.97 51.97 1ur8 s GLU 144 Cb -0.15 -3.81 0.04 0.00 0.10 0.00 0.00 34.13 30.31 1ur8 s GLU 144 CO 0.13 -1.23 0.46 0.71 0.02 0.00 0.00 175.26 175.35 1ur8 s TYR 145 N -0.89 -0.37 0.22 1.61 2.02 -1.26 -3.65 117.35 115.03 1ur8 s TYR 145 Ca 0.23 0.53 -0.32 0.00 -0.37 0.00 0.00 57.07 57.14 1ur8 s TYR 145 Cb -0.12 0.24 -0.12 0.00 -0.40 0.00 0.00 41.96 41.56 1ur8 s TYR 145 CO -0.09 -0.52 1.71 -0.35 -1.57 0.00 0.00 175.55 174.72 1ur8 n PRO 146 N 0.90 2.76 -1.79 -1.71 -0.04 -1.26 -4.89 135.00 128.97 1ur8 n PRO 146 Ca -0.20 1.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.95 1ur8 n PRO 146 Cb 0.58 -2.83 0.03 0.00 -0.04 0.00 0.00 33.50 31.23 1ur8 n PRO 146 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ur8 s GLN 147 N 0.97 3.18 0.43 0.54 -0.21 -1.26 -4.67 119.66 118.65 1ur8 s GLN 147 Ca 0.74 0.71 0.31 0.00 0.02 0.00 0.00 55.36 57.14 1ur8 s GLN 147 Cb -0.51 -2.04 1.47 0.00 1.00 0.00 0.00 33.01 32.94 1ur8 s GLN 147 CO 0.34 -0.86 1.58 0.00 -2.12 0.00 0.00 175.29 174.23 1ur8 h ALA 148 N -0.53 2.74 0.00 6.09 0.00 -1.92 0.13 119.26 125.77 1ur8 h ALA 148 Ca -0.44 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1ur8 h ALA 148 Cb 1.21 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1ur8 h ALA 148 CO 0.61 -1.45 -0.82 0.00 0.00 0.00 0.00 179.25 177.59 1ur8 h ALA 149 N 1.66 0.63 -0.00 0.00 0.00 -1.91 -3.19 119.26 116.44 1ur8 h ALA 149 Ca 0.87 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ur8 h ALA 149 Cb 2.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1ur8 h ALA 149 CO -0.50 0.99 -0.12 0.39 0.00 0.00 0.00 179.25 180.00 1ur8 n GLU 150 N -3.59 0.59 0.45 0.00 1.02 0.44 -4.38 120.64 115.16 1ur8 n GLU 150 Ca -0.01 -0.20 -0.19 0.00 -0.02 0.00 0.00 57.16 56.73 1ur8 n GLU 150 Cb 0.78 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.61 1ur8 n GLU 150 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ur8 h VAL 151 N 0.49 0.16 -0.99 2.62 2.07 -1.50 -0.88 116.25 118.23 1ur8 h VAL 151 Ca 0.00 -0.02 0.24 0.00 0.82 0.00 0.00 66.70 67.74 1ur8 h VAL 151 Cb 0.38 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 1ur8 h VAL 151 CO 0.00 0.00 0.65 0.44 0.02 0.00 0.00 177.57 178.68 1ur8 h ASP 152 N -1.15 0.39 0.05 0.57 3.32 -1.81 0.21 116.42 117.99 1ur8 h ASP 152 Ca -0.12 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 1ur8 h ASP 152 Cb 0.87 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1ur8 h ASP 152 CO 0.19 0.11 -0.69 1.23 -1.72 0.00 0.00 179.24 178.36 1ur8 h GLY 153 N 0.36 0.64 0.93 2.75 0.00 -1.73 -2.17 103.07 103.86 1ur8 h GLY 153 Ca 0.53 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1ur8 h GLY 153 CO -0.22 0.77 0.13 -2.75 0.00 0.00 0.00 176.54 174.47 1ur8 h PHE 154 N 0.41 0.37 -0.38 5.60 3.57 0.74 -1.03 116.94 126.23 1ur8 h PHE 154 Ca -0.03 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ur8 h PHE 154 Cb 1.28 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1ur8 h PHE 154 CO 0.06 0.35 0.25 0.82 -2.23 0.00 0.00 178.31 177.55 1ur8 h ILE 155 N 0.29 1.09 -0.86 1.41 2.04 -0.92 -1.22 117.51 119.34 1ur8 h ILE 155 Ca 0.09 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1ur8 h ILE 155 Cb 0.11 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1ur8 h ILE 155 CO -0.01 0.09 0.46 0.00 0.00 0.00 0.00 178.15 178.69 1ur8 h ALA 156 N 1.14 1.18 -0.71 1.87 0.00 -1.20 -0.33 119.26 121.22 1ur8 h ALA 156 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ur8 h ALA 156 Cb -0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1ur8 h ALA 156 CO -0.03 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.13 1ur8 h ALA 157 N 1.29 0.92 -0.47 0.00 0.00 -0.61 -0.66 119.26 119.73 1ur8 h ALA 157 Ca 0.30 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ur8 h ALA 157 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ur8 h ALA 157 CO -0.05 0.56 -0.12 -0.07 0.00 0.00 0.00 179.25 179.57 1ur8 h LEU 158 N 1.02 0.92 -0.80 0.00 3.38 -0.77 -1.50 115.31 117.57 1ur8 h LEU 158 Ca 0.24 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ur8 h LEU 158 Cb 0.23 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1ur8 h LEU 158 CO -0.02 1.07 0.44 1.56 0.09 0.00 0.00 178.44 181.59 1ur8 h GLN 159 N 0.76 1.12 -0.51 1.13 4.20 -0.75 -0.14 115.11 120.93 1ur8 h GLN 159 Ca 0.12 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1ur8 h GLN 159 Cb 0.67 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1ur8 h GLN 159 CO 0.05 0.82 -0.15 0.93 -0.67 0.00 0.00 178.83 179.81 1ur8 h GLU 160 N 1.11 1.00 -0.49 1.46 5.08 -0.97 -1.28 114.58 120.49 1ur8 h GLU 160 Ca 0.28 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1ur8 h GLU 160 Cb 0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ur8 h GLU 160 CO -0.05 1.07 0.17 0.82 -1.00 0.00 0.00 179.01 180.03 1ur8 h ILE 161 N 0.86 1.22 -0.18 3.13 2.04 -0.98 -1.38 117.51 122.23 1ur8 h ILE 161 Ca 0.12 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1ur8 h ILE 161 Cb 0.72 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1ur8 h ILE 161 CO 0.06 0.27 -0.02 -0.09 0.00 0.00 0.00 178.15 178.37 1ur8 h ARG 162 N 0.66 0.04 -0.21 2.37 9.65 -0.84 0.94 114.38 126.98 1ur8 h ARG 162 Ca 0.16 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 1ur8 h ARG 162 Cb 0.25 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 1ur8 h ARG 162 CO -0.01 0.02 -0.17 1.15 2.80 0.00 0.00 179.97 183.77 1ur8 h THR 163 N 0.04 0.54 -0.47 0.20 2.02 -0.99 -0.20 112.91 114.04 1ur8 h THR 163 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1ur8 h THR 163 Cb 0.12 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1ur8 h THR 163 CO -0.16 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 175.75 1ur8 h LEU 164 N -0.17 0.67 -0.33 2.58 3.38 -0.67 -2.37 115.31 118.39 1ur8 h LEU 164 Ca 0.13 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1ur8 h LEU 164 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ur8 h LEU 164 CO -0.32 0.68 -0.55 -0.07 0.09 0.00 0.00 178.44 178.27 1ur8 h LEU 165 N 0.69 0.91 -0.52 1.67 3.38 -0.37 -1.11 115.31 119.96 1ur8 h LEU 165 Ca 0.15 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1ur8 h LEU 165 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ur8 h LEU 165 CO 0.00 1.28 0.21 0.78 0.09 0.00 0.00 178.44 180.80 1ur8 h ASN 166 N 0.63 0.72 -0.86 -0.43 4.21 -0.89 0.11 115.58 119.07 1ur8 h ASN 166 Ca 0.01 -0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.33 1ur8 h ASN 166 Cb 1.15 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 38.13 1ur8 h ASN 166 CO 0.12 0.70 0.46 1.56 -1.29 0.00 0.00 177.43 178.98 1ur8 h GLN 167 N 0.71 1.21 -0.52 0.81 4.20 -1.34 -2.58 115.11 117.59 1ur8 h GLN 167 Ca 0.17 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1ur8 h GLN 167 Cb 0.20 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1ur8 h GLN 167 CO -0.01 0.89 -0.09 0.37 -0.67 0.00 0.00 178.83 179.32 1ur8 h GLN 168 N 1.20 0.95 -0.56 1.46 5.75 -0.74 -0.86 115.11 122.31 1ur8 h GLN 168 Ca 0.30 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1ur8 h GLN 168 Cb 0.05 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 1ur8 h GLN 168 CO -0.05 0.99 0.34 1.15 -2.65 0.00 0.00 178.83 178.61 1ur8 h THR 169 N 0.85 1.05 -0.27 2.39 2.02 -0.64 0.89 112.91 119.20 1ur8 h THR 169 Ca 0.14 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1ur8 h THR 169 Cb 0.62 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1ur8 h THR 169 CO 0.04 0.12 0.07 0.40 0.37 0.00 0.00 175.52 176.52 1ur8 h ILE 170 N 0.66 1.21 -0.10 3.11 5.03 -1.24 0.31 117.51 126.48 1ur8 h ILE 170 Ca 0.23 -0.68 -0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1ur8 h ILE 170 Cb 0.04 1.15 -0.01 0.00 -3.03 0.00 0.00 36.82 34.98 1ur8 h ILE 170 CO -0.11 0.22 0.04 0.74 -0.68 0.00 0.00 178.15 178.36 1ur8 h THR 171 N 0.26 1.04 -0.52 -0.27 2.02 -0.64 -2.22 112.91 112.58 1ur8 h THR 171 Ca 0.08 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ur8 h THR 171 Cb 0.27 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1ur8 h THR 171 CO -0.00 0.05 0.00 0.47 0.37 0.00 0.00 175.52 176.41 1ur8 n ASP 172 N -4.49 3.67 -3.48 4.18 8.00 0.26 -4.97 116.55 119.71 1ur8 n ASP 172 Ca -0.01 -2.00 -0.25 0.00 0.71 0.00 0.00 54.79 53.24 1ur8 n ASP 172 Cb 0.10 -0.34 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 1ur8 n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ur8 n GLY 173 N 1.56 -0.53 2.14 0.44 0.00 -0.57 -4.90 105.19 103.33 1ur8 n GLY 173 Ca 0.21 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1ur8 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur8 n ARG 174 N -4.62 2.19 -0.17 1.61 5.12 -0.01 -4.56 116.66 116.22 1ur8 n ARG 174 Ca -0.02 -2.79 0.13 0.00 -1.93 0.00 0.00 57.85 53.24 1ur8 n ARG 174 Cb 0.57 -2.09 0.46 0.00 -1.16 0.00 0.00 32.46 30.24 1ur8 n ARG 174 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1ur8 h GLN 175 N 1.03 0.49 -0.05 5.56 7.50 -1.91 0.37 115.11 128.10 1ur8 h GLN 175 Ca 0.58 -0.03 -0.11 0.00 0.50 0.00 0.00 58.65 59.59 1ur8 h GLN 175 Cb 2.52 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 29.92 1ur8 h GLN 175 CO 1.07 0.33 -0.48 0.00 -1.50 0.00 0.00 178.83 178.25 1ur8 h ALA 176 N 1.64 1.12 -1.79 3.87 0.00 -1.98 -3.35 119.26 118.77 1ur8 h ALA 176 Ca 0.35 -0.45 -0.51 0.00 0.00 0.00 0.00 54.91 54.31 1ur8 h ALA 176 Cb 0.68 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.03 1ur8 h ALA 176 CO -0.12 0.62 -0.99 -0.11 0.00 0.00 0.00 179.25 178.65 1ur8 n LEU 177 N -3.97 -0.46 -4.63 0.00 7.94 -0.56 -5.11 117.00 110.21 1ur8 n LEU 177 Ca -0.02 -4.40 -0.39 0.00 -1.11 0.00 0.00 56.01 50.10 1ur8 n LEU 177 Cb 0.51 0.65 0.04 0.00 0.53 0.00 0.00 43.42 45.15 1ur8 n LEU 177 CO 0.41 2.02 0.61 -2.65 -1.11 0.00 0.00 177.39 176.67 1ur8 n PRO 178 N 1.78 1.16 -1.98 1.96 -0.02 0.01 -4.87 135.00 133.04 1ur8 n PRO 178 Ca 0.21 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 1ur8 n PRO 178 Cb 0.53 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1ur8 n PRO 178 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ur8 s TYR 179 N -1.41 2.57 0.26 6.00 2.02 -1.26 -4.99 117.35 120.53 1ur8 s TYR 179 Ca 0.71 1.42 0.11 0.00 -0.37 0.00 0.00 57.07 58.93 1ur8 s TYR 179 Cb -0.46 -3.66 -0.05 0.00 -0.40 0.00 0.00 41.96 37.40 1ur8 s TYR 179 CO 0.51 -2.33 -0.18 -0.65 -1.57 0.00 0.00 175.55 171.33 1ur8 s GLN 180 N -2.69 1.57 -0.07 -0.62 -0.21 -1.15 -4.88 119.66 111.60 1ur8 s GLN 180 Ca 0.66 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 54.32 1ur8 s GLN 180 Cb -0.37 -1.56 0.02 0.00 1.00 0.00 0.00 33.01 32.11 1ur8 s GLN 180 CO 0.44 0.28 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.68 1ur8 s LEU 181 N -3.45 1.14 0.22 2.90 2.96 -1.26 -0.83 118.68 120.37 1ur8 s LEU 181 Ca 0.28 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1ur8 s LEU 181 Cb -0.04 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 46.02 1ur8 s LEU 181 CO 0.12 -0.09 0.07 0.42 -1.32 0.00 0.00 176.35 175.55 1ur8 s THR 182 N 1.34 0.49 0.09 3.68 -4.23 -0.19 -0.77 115.64 116.06 1ur8 s THR 182 Ca -0.04 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1ur8 s THR 182 Cb -0.14 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1ur8 s THR 182 CO -0.03 -0.15 -0.09 0.27 -0.54 0.00 0.00 174.62 174.08 1ur8 s ILE 183 N -3.80 0.85 -0.30 2.99 -4.36 -1.17 -1.19 121.20 114.22 1ur8 s ILE 183 Ca 0.34 -1.69 -0.17 0.00 -0.26 0.00 0.00 60.65 58.87 1ur8 s ILE 183 Cb 0.07 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 1ur8 s ILE 183 CO 0.10 -0.64 0.46 0.00 0.24 0.00 0.00 174.94 175.11 1ur8 s ALA 184 N -2.70 3.54 0.25 2.27 0.00 -0.42 -0.96 121.76 123.74 1ur8 s ALA 184 Ca 0.06 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1ur8 s ALA 184 Cb -0.01 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1ur8 s ALA 184 CO -0.01 -0.91 0.21 0.20 0.00 0.00 0.00 175.76 175.25 1ur8 s GLY 185 N 1.66 1.40 0.53 0.00 0.00 0.18 -4.64 107.32 106.45 1ur8 s GLY 185 Ca 0.18 -1.41 -0.22 0.00 0.00 0.00 0.00 44.72 43.26 1ur8 s GLY 185 CO 0.11 -1.45 1.28 0.00 0.00 0.00 0.00 173.10 173.05 1ur8 n ALA 186 N -1.21 1.31 -0.65 3.20 0.00 -1.26 -0.46 120.51 121.45 1ur8 n ALA 186 Ca -0.08 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1ur8 n ALA 186 Cb 0.58 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.87 1ur8 n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ur8 n GLY 187 N 0.85 3.86 2.95 0.00 0.00 -1.19 -4.34 105.19 107.31 1ur8 n GLY 187 Ca 0.10 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1ur8 n GLY 187 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ur8 s GLY 188 N -1.87 -0.05 0.43 -0.02 0.00 -1.26 -4.55 107.32 99.99 1ur8 s GLY 188 Ca 0.26 0.20 0.16 0.00 0.00 0.00 0.00 44.72 45.33 1ur8 s GLY 188 CO 0.06 0.17 1.91 0.00 0.00 0.00 0.00 173.10 175.24 1ur8 h ALA 189 N 6.03 2.13 0.24 3.20 0.00 -1.96 -1.89 119.26 127.01 1ur8 h ALA 189 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ur8 h ALA 189 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1ur8 h ALA 189 CO 0.46 -0.34 -0.24 0.74 0.00 0.00 0.00 179.25 179.87 1ur8 h PHE 190 N 0.41 -0.63 0.01 0.00 -1.00 -1.94 0.71 116.94 114.49 1ur8 h PHE 190 Ca 0.38 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.97 1ur8 h PHE 190 Cb 0.89 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 1ur8 h PHE 190 CO -0.00 -0.35 -0.90 0.74 -1.61 0.00 0.00 178.31 176.19 1ur8 h PHE 191 N -0.51 0.23 -0.56 -0.55 0.04 -1.97 -3.19 116.94 110.42 1ur8 h PHE 191 Ca -0.01 -0.13 0.02 0.00 2.80 0.00 0.00 57.97 60.65 1ur8 h PHE 191 Cb 0.48 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1ur8 h PHE 191 CO -0.16 0.97 0.37 1.25 -0.60 0.00 0.00 178.31 180.13 1ur8 h LEU 192 N 0.08 0.61 -2.20 1.54 5.85 -1.13 -2.25 115.31 117.80 1ur8 h LEU 192 Ca -0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ur8 h LEU 192 Cb 1.54 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1ur8 h LEU 192 CO 0.13 0.43 0.26 0.77 -0.34 0.00 0.00 178.44 179.69 1ur8 h SER 193 N 0.71 0.00 -0.23 1.25 4.64 -0.84 -0.75 113.55 118.34 1ur8 h SER 193 Ca 0.21 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 1ur8 h SER 193 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1ur8 h SER 193 CO -0.05 0.00 -0.08 0.03 -0.87 0.00 0.00 176.83 175.86 1ur8 h ARG 194 N 0.00 0.59 0.00 4.77 3.08 -1.58 -3.35 114.38 117.89 1ur8 h ARG 194 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1ur8 h ARG 194 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ur8 h ARG 194 CO 0.00 0.67 0.00 2.48 -1.07 0.00 0.00 179.97 182.05 1ur8 n TYR 195 N -4.21 0.00 -0.27 3.04 0.18 -0.84 -3.35 117.16 111.71 1ur8 n TYR 195 Ca 0.01 -0.10 0.09 0.00 1.88 0.00 0.00 57.90 59.78 1ur8 n TYR 195 Cb 0.31 -0.01 0.23 0.00 -0.38 0.00 0.00 39.34 39.49 1ur8 n TYR 195 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1ur8 h TYR 196 N 0.00 0.35 -0.05 -3.48 3.20 -1.29 0.84 116.97 116.54 1ur8 h TYR 196 Ca 0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1ur8 h TYR 196 Cb 0.54 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1ur8 h TYR 196 CO 0.00 -0.11 0.07 0.66 -1.64 0.00 0.00 178.16 177.14 1ur8 h SER 197 N 0.28 0.00 -0.31 -2.11 4.64 -1.86 -2.03 113.55 112.16 1ur8 h SER 197 Ca 0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.67 1ur8 h SER 197 Cb 0.86 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.87 1ur8 h SER 197 CO -0.55 0.00 -0.05 0.29 -0.87 0.00 0.00 176.83 175.65 1ur8 n LYS 198 N -3.62 2.10 -0.22 4.77 5.02 0.28 -4.76 118.16 121.72 1ur8 n LYS 198 Ca -0.02 -3.06 0.01 0.00 -2.02 0.00 0.00 58.31 53.22 1ur8 n LYS 198 Cb 0.16 -1.81 0.13 0.00 -0.02 0.00 0.00 35.03 33.48 1ur8 n LYS 198 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ur8 h LEU 199 N 1.16 0.30 -1.02 -0.35 3.38 -1.25 -1.19 115.31 116.34 1ur8 h LEU 199 Ca 0.15 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1ur8 h LEU 199 Cb 1.58 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.31 1ur8 h LEU 199 CO 0.33 0.16 0.66 0.00 0.09 0.00 0.00 178.44 179.68 1ur8 h ALA 200 N 1.44 1.35 -0.11 1.53 0.00 -1.82 -0.30 119.26 121.35 1ur8 h ALA 200 Ca 0.34 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 1ur8 h ALA 200 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ur8 h ALA 200 CO -0.31 0.54 -0.67 1.96 0.00 0.00 0.00 179.25 180.78 1ur8 h GLN 201 N 1.26 0.45 -0.45 0.00 4.20 -1.69 -1.89 115.11 116.98 1ur8 h GLN 201 Ca 0.40 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1ur8 h GLN 201 Cb 0.02 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ur8 h GLN 201 CO -0.13 0.96 -0.19 0.82 -0.67 0.00 0.00 178.83 179.62 1ur8 h ILE 202 N 0.32 1.27 0.00 2.54 2.04 -0.72 -3.27 117.51 119.70 1ur8 h ILE 202 Ca -0.02 -1.34 -0.10 0.00 1.00 0.00 0.00 64.86 64.40 1ur8 h ILE 202 Cb 1.23 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1ur8 h ILE 202 CO 0.12 0.46 -0.47 0.58 0.00 0.00 0.00 178.15 178.84 1ur8 h VAL 203 N 0.77 0.84 -0.53 1.67 2.07 -1.03 -3.36 116.25 116.67 1ur8 h VAL 203 Ca 0.10 -2.06 0.10 0.00 0.82 0.00 0.00 66.70 65.67 1ur8 h VAL 203 Cb 0.76 2.32 -0.08 0.00 -1.52 0.00 0.00 31.29 32.77 1ur8 h VAL 203 CO 0.06 0.46 0.08 0.00 0.02 0.00 0.00 177.57 178.19 1ur8 h ALA 204 N 1.53 0.59 0.00 1.67 0.00 -1.39 -1.23 119.26 120.43 1ur8 h ALA 204 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ur8 h ALA 204 Cb 1.28 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ur8 h ALA 204 CO 0.06 -0.33 0.00 -0.35 0.00 0.00 0.00 179.25 178.63 1ur8 n PRO 205 N -5.15 0.99 -3.97 0.00 -0.04 -1.26 -4.88 135.00 120.69 1ur8 n PRO 205 Ca 0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.26 1ur8 n PRO 205 Cb 0.28 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1ur8 n PRO 205 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ur8 s LEU 206 N -1.67 4.23 0.03 1.53 1.43 -0.47 -4.78 118.68 118.98 1ur8 s LEU 206 Ca 0.32 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1ur8 s LEU 206 Cb 0.15 -2.81 -0.30 0.00 0.03 0.00 0.00 46.19 43.26 1ur8 s LEU 206 CO 0.25 0.07 0.97 0.44 0.23 0.00 0.00 176.35 178.31 1ur8 h ASP 207 N 2.35 0.50 -5.04 2.29 3.32 -1.24 -3.48 116.42 115.12 1ur8 h ASP 207 Ca -0.48 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 55.89 1ur8 h ASP 207 Cb 1.19 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 1ur8 h ASP 207 CO 0.68 1.49 -0.14 -0.31 -1.72 0.00 0.00 179.24 179.24 1ur8 s TYR 208 N -2.63 -0.22 -0.24 4.55 2.02 -1.25 -4.60 117.35 114.99 1ur8 s TYR 208 Ca -0.08 0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 1ur8 s TYR 208 Cb 0.06 0.19 0.04 0.00 -0.40 0.00 0.00 41.96 41.85 1ur8 s TYR 208 CO 0.88 -0.55 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.68 1ur8 s ILE 209 N -2.48 2.24 -0.50 2.71 2.07 0.06 -3.03 121.20 122.27 1ur8 s ILE 209 Ca -0.05 -1.35 -0.23 0.00 -1.41 0.00 0.00 60.65 57.60 1ur8 s ILE 209 Cb -0.01 -2.18 0.04 0.00 0.13 0.00 0.00 42.46 40.43 1ur8 s ILE 209 CO -0.02 0.17 0.82 0.20 -1.91 0.00 0.00 174.94 174.19 1ur8 s ASN 210 N 1.19 6.35 -0.02 4.50 0.01 -0.13 -1.71 114.94 125.12 1ur8 s ASN 210 Ca -0.04 -0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 51.49 1ur8 s ASN 210 Cb -0.17 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1ur8 s ASN 210 CO -0.07 -1.04 0.97 -0.76 -1.51 0.00 0.00 177.10 174.69 1ur8 s LEU 211 N 3.46 4.35 -1.37 0.60 1.43 -0.45 0.48 118.68 127.17 1ur8 s LEU 211 Ca 0.28 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1ur8 s LEU 211 Cb -0.13 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.65 1ur8 s LEU 211 CO 0.20 -0.28 2.06 0.23 0.23 0.00 0.00 176.35 178.78 1ur8 n MET 212 N 4.09 3.22 -1.59 1.70 2.81 0.39 -1.24 117.12 126.49 1ur8 n MET 212 Ca 0.06 -3.04 -0.40 0.00 -1.81 0.00 0.00 57.70 52.51 1ur8 n MET 212 Cb 0.51 -3.12 -0.02 0.00 -0.71 0.00 0.00 33.22 29.88 1ur8 n MET 212 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ur8 n THR 213 N 4.26 4.61 -3.88 2.03 -2.24 -1.26 -3.20 114.28 114.60 1ur8 n THR 213 Ca 0.46 -3.25 -0.11 0.00 -2.27 0.00 0.00 64.05 58.88 1ur8 n THR 213 Cb 0.38 -2.42 0.01 0.00 -2.10 0.00 0.00 70.33 66.19 1ur8 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ur8 n TYR 214 N 3.05 -2.09 -2.14 4.78 0.18 -1.26 -4.68 117.16 114.99 1ur8 n TYR 214 Ca 0.71 -2.05 -0.19 0.00 1.88 0.00 0.00 57.90 58.25 1ur8 n TYR 214 Cb 0.25 0.82 -0.03 0.00 -0.38 0.00 0.00 39.34 39.99 1ur8 n TYR 214 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1ur8 n ASP 215 N -1.56 -5.32 -0.12 9.48 8.00 -1.13 -4.82 116.55 121.08 1ur8 n ASP 215 Ca -0.06 0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.72 1ur8 n ASP 215 Cb 0.60 -4.53 0.62 0.00 -0.02 0.00 0.00 41.12 37.79 1ur8 n ASP 215 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ur8 n LEU 216 N -2.75 0.35 -3.71 0.64 4.77 0.07 -4.78 117.00 111.60 1ur8 n LEU 216 Ca -0.21 -0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.51 1ur8 n LEU 216 Cb 0.66 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1ur8 n LEU 216 CO 0.27 0.07 0.09 0.00 -1.33 0.00 0.00 177.39 176.49 1ur8 s ALA 217 N -1.97 -0.84 0.00 -1.18 0.00 -1.26 -4.83 121.76 111.69 1ur8 s ALA 217 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1ur8 s ALA 217 Cb 0.16 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1ur8 s ALA 217 CO 0.27 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ur8 n GLY 218 N 0.49 0.75 0.24 0.00 0.00 -1.26 -4.72 105.19 100.69 1ur8 n GLY 218 Ca -0.18 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1ur8 n GLY 218 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ur8 h PRO 219 N 0.00 0.00 0.00 1.61 0.13 -1.88 0.18 132.00 132.04 1ur8 h PRO 219 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ur8 h PRO 219 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ur8 h PRO 219 CO 0.00 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.10 1ur8 n TRP 220 N -2.48 0.00 -3.96 1.56 2.14 -1.26 -4.29 117.44 109.16 1ur8 n TRP 220 Ca -0.02 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.24 1ur8 n TRP 220 Cb 0.30 -0.42 -0.05 0.00 -0.81 0.00 0.00 31.31 30.33 1ur8 n TRP 220 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1ur8 s GLU 221 N -2.84 3.31 0.24 -2.67 0.41 0.62 -5.03 118.70 112.74 1ur8 s GLU 221 Ca 0.16 -0.45 0.09 0.00 -0.41 0.00 0.00 54.97 54.36 1ur8 s GLU 221 Cb 0.17 -2.99 0.26 0.00 -1.78 0.00 0.00 34.13 29.79 1ur8 s GLU 221 CO 0.43 0.62 1.55 1.57 -0.49 0.00 0.00 175.26 178.95 1ur8 h LYS 222 N 3.42 0.05 -5.61 1.61 2.10 -1.84 -3.44 116.57 112.85 1ur8 h LYS 222 Ca -0.47 -0.04 -0.66 0.00 -2.00 0.00 0.00 60.65 57.49 1ur8 h LYS 222 Cb 1.17 0.01 -0.20 0.00 -0.90 0.00 0.00 32.23 32.31 1ur8 h LYS 222 CO 0.71 0.70 -0.67 0.08 -2.00 0.00 0.00 179.45 178.27 1ur8 s VAL 223 N -3.51 3.91 0.50 0.07 1.01 -1.26 -4.01 120.40 117.12 1ur8 s VAL 223 Ca -0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 1ur8 s VAL 223 Cb 0.12 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 1ur8 s VAL 223 CO 0.78 0.54 1.22 0.42 0.00 0.00 0.00 175.10 178.06 1ur8 s THR 224 N -0.12 2.77 0.27 3.92 -4.23 0.01 -4.84 115.64 113.42 1ur8 s THR 224 Ca 0.02 0.56 -0.21 0.00 -1.18 0.00 0.00 61.69 60.88 1ur8 s THR 224 Cb -0.13 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.47 1ur8 s THR 224 CO 0.02 -0.03 0.76 0.21 -0.54 0.00 0.00 174.62 175.05 1ur8 s ASN 225 N -1.30 -0.23 0.16 3.99 2.47 -1.26 -1.51 114.94 117.26 1ur8 s ASN 225 Ca 0.68 -0.61 -0.30 0.00 0.42 0.00 0.00 52.86 53.05 1ur8 s ASN 225 Cb -0.32 0.70 -0.07 0.00 -1.45 0.00 0.00 41.25 40.11 1ur8 s ASN 225 CO 0.38 -1.30 1.07 -1.00 -3.72 0.00 0.00 177.10 172.52 1ur8 s HIS 226 N -3.74 3.64 -0.84 0.43 3.76 -1.26 -4.78 115.29 112.50 1ur8 s HIS 226 Ca 0.11 1.64 0.27 0.00 -0.15 0.00 0.00 55.06 56.93 1ur8 s HIS 226 Cb -0.05 -3.23 0.85 0.00 1.11 0.00 0.00 32.58 31.26 1ur8 s HIS 226 CO 0.07 -0.43 1.72 0.00 -0.85 0.00 0.00 174.74 175.24 1ur8 n GLN 227 N 2.54 0.15 -2.68 1.40 10.64 -1.26 -4.20 117.38 123.96 1ur8 n GLN 227 Ca 0.03 0.10 -0.08 0.00 -1.83 0.00 0.00 57.00 55.22 1ur8 n GLN 227 Cb 0.47 -1.65 0.07 0.00 -0.86 0.00 0.00 30.24 28.27 1ur8 n GLN 227 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ur8 n ALA 228 N -1.66 2.59 -1.73 2.61 0.00 -1.26 -0.75 120.51 120.30 1ur8 n ALA 228 Ca 0.06 -2.40 -0.42 0.00 0.00 0.00 0.00 53.44 50.68 1ur8 n ALA 228 Cb 0.39 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1ur8 n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur8 n ALA 229 N -0.32 2.61 0.03 0.00 0.00 -1.26 -4.73 120.51 116.84 1ur8 n ALA 229 Ca 0.04 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1ur8 n ALA 229 Cb 0.83 -2.48 -0.09 0.00 0.00 0.00 0.00 19.45 17.71 1ur8 n ALA 229 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ur8 h LEU 230 N 5.45 -0.12 -9.49 0.00 5.85 -1.50 0.22 115.31 115.73 1ur8 h LEU 230 Ca -0.46 -0.42 -0.58 0.00 0.84 0.00 0.00 57.88 57.27 1ur8 h LEU 230 Cb 1.22 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 42.15 1ur8 h LEU 230 CO 0.85 0.40 -0.62 -0.36 -0.34 0.00 0.00 178.44 178.37 1ur8 s PHE 231 N -3.94 2.33 0.40 1.25 0.08 -1.25 -1.68 117.98 115.17 1ur8 s PHE 231 Ca -0.15 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.03 1ur8 s PHE 231 Cb 0.01 -1.56 -0.08 0.00 -0.57 0.00 0.00 43.02 40.82 1ur8 s PHE 231 CO 0.59 0.35 0.83 0.20 -0.10 0.00 0.00 175.22 177.09 1ur8 s GLY 232 N -3.62 2.18 -0.26 4.36 0.00 0.02 -3.89 107.32 106.10 1ur8 s GLY 232 Ca 0.35 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.11 1ur8 s GLY 232 CO 0.17 0.29 -0.04 -0.35 0.00 0.00 0.00 173.10 173.17 1ur8 s ASP 233 N -2.66 4.49 0.63 1.64 -1.08 -1.26 0.65 116.67 119.08 1ur8 s ASP 233 Ca 0.56 -0.98 0.31 0.00 -0.52 0.00 0.00 52.55 51.91 1ur8 s ASP 233 Cb -0.10 -1.68 1.68 0.00 -1.46 0.00 0.00 42.92 41.36 1ur8 s ASP 233 CO 0.23 -0.16 2.00 0.00 0.52 0.00 0.00 175.17 177.76 1ur8 h ALA 234 N 8.01 1.61 0.00 3.66 0.00 -1.97 0.40 119.26 130.97 1ur8 h ALA 234 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ur8 h ALA 234 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ur8 h ALA 234 CO 0.56 -0.38 -0.18 0.00 0.00 0.00 0.00 179.25 179.25 1ur8 n ALA 235 N -2.12 2.66 -1.97 0.00 0.00 -1.26 -4.89 120.51 112.94 1ur8 n ALA 235 Ca 0.01 -0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1ur8 n ALA 235 Cb 0.40 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.61 1ur8 n ALA 235 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ur8 s GLY 236 N -3.18 1.76 0.77 0.00 0.00 0.14 -4.95 107.32 101.85 1ur8 s GLY 236 Ca 0.12 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 43.29 1ur8 s GLY 236 CO 0.60 -0.87 1.11 2.56 0.00 0.00 0.00 173.10 176.50 1ur8 s PRO 237 N -5.30 2.16 0.24 2.90 0.04 -1.26 -4.98 135.00 128.81 1ur8 s PRO 237 Ca 0.66 1.30 0.08 0.00 0.04 0.00 0.00 61.00 63.09 1ur8 s PRO 237 Cb -0.06 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1ur8 s PRO 237 CO 0.46 -1.73 -0.13 0.95 0.04 0.00 0.00 177.00 176.58 1ur8 s THR 238 N -2.71 1.86 0.12 1.26 -4.23 -1.26 -4.70 115.64 105.98 1ur8 s THR 238 Ca 0.64 -2.22 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1ur8 s THR 238 Cb -0.19 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1ur8 s THR 238 CO 0.53 -0.48 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.68 1ur8 s PHE 239 N -2.89 1.08 0.13 3.99 0.40 0.59 -4.86 117.98 116.42 1ur8 s PHE 239 Ca 0.26 -0.78 -0.31 0.00 -0.60 0.00 0.00 56.93 55.50 1ur8 s PHE 239 Cb -0.00 -0.58 -0.09 0.00 0.51 0.00 0.00 43.02 42.86 1ur8 s PHE 239 CO 0.10 -0.02 1.50 -0.47 0.70 0.00 0.00 175.22 177.03 1ur8 s TYR 240 N -3.16 3.04 -0.99 0.36 6.14 -1.26 -0.74 117.35 120.75 1ur8 s TYR 240 Ca 0.12 0.72 -0.23 0.00 0.64 0.00 0.00 57.07 58.32 1ur8 s TYR 240 Cb 0.02 -3.83 0.06 0.00 0.42 0.00 0.00 41.96 38.63 1ur8 s TYR 240 CO -0.01 -3.03 1.38 1.21 0.64 0.00 0.00 175.55 175.74 1ur8 s ASN 241 N 1.32 6.50 0.59 4.32 3.84 -1.26 -4.87 114.94 125.37 1ur8 s ASN 241 Ca 0.68 -1.48 0.29 0.00 0.21 0.00 0.00 52.86 52.56 1ur8 s ASN 241 Cb -0.40 -2.54 1.57 0.00 -0.55 0.00 0.00 41.25 39.32 1ur8 s ASN 241 CO 0.31 -1.46 2.00 0.00 -2.79 0.00 0.00 177.10 175.16 1ur8 h ALA 242 N 9.66 1.98 0.00 1.71 0.00 -1.91 -2.61 119.26 128.09 1ur8 h ALA 242 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ur8 h ALA 242 Cb 1.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ur8 h ALA 242 CO 1.37 -0.50 -0.14 -0.07 0.00 0.00 0.00 179.25 179.91 1ur8 h LEU 243 N 0.00 0.00 -1.28 0.00 3.38 -1.90 -1.94 115.31 113.57 1ur8 h LEU 243 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ur8 h LEU 243 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ur8 h LEU 243 CO -0.00 0.14 0.00 0.08 0.09 0.00 0.00 178.44 178.75 1ur8 h ARG 244 N 0.00 0.00 -0.14 1.13 0.11 -1.79 -1.54 114.38 112.15 1ur8 h ARG 244 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ur8 h ARG 244 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1ur8 h ARG 244 CO 0.02 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.48 1ur8 n GLU 245 N -2.44 2.34 -2.25 0.08 -0.58 -0.73 -4.98 120.64 112.08 1ur8 n GLU 245 Ca 0.00 -1.97 -0.36 0.00 -0.42 0.00 0.00 57.16 54.42 1ur8 n GLU 245 Cb 0.16 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1ur8 n GLU 245 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ur8 s ALA 246 N -1.85 2.78 -1.30 0.62 0.00 -0.58 -4.88 121.76 116.55 1ur8 s ALA 246 Ca 0.32 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 1ur8 s ALA 246 Cb 0.21 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1ur8 s ALA 246 CO 0.31 -0.75 1.95 -1.71 0.00 0.00 0.00 175.76 175.56 1ur8 n ASN 247 N -1.04 4.18 0.02 0.00 5.15 -1.26 -4.48 115.26 117.82 1ur8 n ASN 247 Ca 0.10 -2.85 0.11 0.00 -0.60 0.00 0.00 54.58 51.34 1ur8 n ASN 247 Cb 0.50 -1.67 -0.11 0.00 -0.53 0.00 0.00 39.78 37.97 1ur8 n ASN 247 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ur8 n LEU 248 N 8.12 0.29 -1.13 1.20 4.77 -1.26 -4.82 117.00 124.18 1ur8 n LEU 248 Ca 0.50 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 1ur8 n LEU 248 Cb 0.43 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1ur8 n LEU 248 CO 0.83 -0.02 -0.14 0.61 -1.33 0.00 0.00 177.39 177.34 1ur8 n GLY 249 N 1.27 1.33 3.93 -0.72 0.00 -1.26 -5.00 105.19 104.73 1ur8 n GLY 249 Ca -0.02 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1ur8 n GLY 249 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ur8 s TRP 250 N -2.54 3.27 0.71 1.61 0.51 -1.26 -5.09 118.94 116.15 1ur8 s TRP 250 Ca 0.00 0.52 -0.11 0.00 -2.12 0.00 0.00 56.10 54.39 1ur8 s TRP 250 Cb 0.00 -2.56 0.02 0.00 -0.81 0.00 0.00 33.47 30.12 1ur8 s TRP 250 CO 0.00 -0.62 1.09 -1.54 -0.51 0.00 0.00 176.95 175.37 1ur8 s SER 251 N -4.26 5.35 0.22 2.95 1.04 -1.26 -4.79 113.70 112.95 1ur8 s SER 251 Ca 0.51 1.19 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 1ur8 s SER 251 Cb -0.10 -2.00 0.33 0.00 0.10 0.00 0.00 66.02 64.34 1ur8 s SER 251 CO 0.43 -1.41 1.77 -0.25 0.98 0.00 0.00 173.24 174.75 1ur8 h TRP 252 N -0.70 0.57 -0.71 5.02 7.01 -1.99 0.13 115.95 125.29 1ur8 h TRP 252 Ca -0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 1ur8 h TRP 252 Cb 1.25 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.12 1ur8 h TRP 252 CO 0.51 0.19 0.38 1.49 -2.79 0.00 0.00 178.44 178.22 1ur8 h GLU 253 N 0.55 0.99 -0.25 2.65 4.57 -1.99 -0.12 114.58 120.97 1ur8 h GLU 253 Ca 0.34 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1ur8 h GLU 253 Cb 0.38 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ur8 h GLU 253 CO -0.28 0.75 -0.07 0.93 -1.18 0.00 0.00 179.01 179.15 1ur8 h GLU 254 N 0.97 0.49 -0.58 1.92 5.08 -1.59 -2.61 114.58 118.26 1ur8 h GLU 254 Ca 0.25 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ur8 h GLU 254 Cb 0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1ur8 h GLU 254 CO -0.04 0.72 0.29 -0.07 -1.00 0.00 0.00 179.01 178.91 1ur8 h LEU 255 N 0.23 0.75 -0.75 1.33 3.38 -0.60 -2.48 115.31 117.17 1ur8 h LEU 255 Ca 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1ur8 h LEU 255 Cb 0.54 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1ur8 h LEU 255 CO 0.03 0.66 0.23 0.74 0.09 0.00 0.00 178.44 180.18 1ur8 h THR 256 N 0.78 1.26 0.00 0.22 2.02 -0.97 0.14 112.91 116.36 1ur8 h THR 256 Ca 0.20 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1ur8 h THR 256 Cb 0.10 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1ur8 h THR 256 CO -0.03 0.36 0.00 0.08 0.37 0.00 0.00 175.52 176.31 1ur8 h ARG 257 N 1.11 0.00 0.02 6.66 0.11 -1.42 -3.22 114.38 117.64 1ur8 h ARG 257 Ca 0.24 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.02 1ur8 h ARG 257 Cb 0.32 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.36 1ur8 h ARG 257 CO -0.01 0.00 -1.70 0.00 0.10 0.00 0.00 179.97 178.37 1ur8 h ALA 258 N 2.01 0.69 -2.27 0.08 0.00 -1.07 -1.76 119.26 116.94 1ur8 h ALA 258 Ca 0.00 -1.42 -0.60 0.00 0.00 0.00 0.00 54.91 52.90 1ur8 h ALA 258 Cb 0.93 0.47 -0.41 0.00 0.00 0.00 0.00 17.79 18.78 1ur8 h ALA 258 CO 0.00 1.52 -0.68 1.19 0.00 0.00 0.00 179.25 181.28 1ur8 n PHE 259 N -3.13 2.87 -1.69 0.00 3.72 0.46 -4.31 117.46 115.39 1ur8 n PHE 259 Ca -0.18 -4.06 -0.42 0.00 -0.05 0.00 0.00 57.45 52.74 1ur8 n PHE 259 Cb 1.04 -0.51 -0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1ur8 n PHE 259 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ur8 n PRO 260 N 1.12 2.00 -3.73 -1.08 -0.04 -1.24 -4.78 135.00 127.25 1ur8 n PRO 260 Ca 0.27 0.70 -0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1ur8 n PRO 260 Cb 0.42 -2.30 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 1ur8 n PRO 260 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ur8 s SER 261 N -0.40 -0.37 0.99 3.54 0.15 -1.26 -4.17 113.70 112.18 1ur8 s SER 261 Ca 0.57 0.69 -0.15 0.00 0.70 0.00 0.00 55.95 57.77 1ur8 s SER 261 Cb -0.56 0.63 0.19 0.00 -1.71 0.00 0.00 66.02 64.56 1ur8 s SER 261 CO 0.61 -0.15 1.17 -2.16 1.20 0.00 0.00 173.24 173.90 1ur8 s PRO 262 N 0.84 0.45 0.23 5.44 0.04 -1.26 -4.96 135.00 135.78 1ur8 s PRO 262 Ca -0.05 0.07 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 1ur8 s PRO 262 Cb -0.06 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1ur8 s PRO 262 CO -0.06 -2.62 0.29 -0.59 0.04 0.00 0.00 177.00 174.06 1ur8 s PHE 263 N -3.33 0.89 -0.20 0.56 -0.71 0.09 -4.83 117.98 110.45 1ur8 s PHE 263 Ca 0.68 -1.14 -0.19 0.00 -1.04 0.00 0.00 56.93 55.23 1ur8 s PHE 263 Cb -0.12 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 1ur8 s PHE 263 CO 0.54 -0.82 0.56 -1.12 -1.34 0.00 0.00 175.22 173.04 1ur8 s SER 264 N -3.12 6.61 -0.80 1.98 0.01 -1.26 -0.30 113.70 116.82 1ur8 s SER 264 Ca 0.32 0.74 -0.26 0.00 1.31 0.00 0.00 55.95 58.06 1ur8 s SER 264 Cb 0.03 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1ur8 s SER 264 CO 0.12 -0.21 1.42 -0.22 0.41 0.00 0.00 173.24 174.76 1ur8 s LEU 265 N 1.72 3.26 0.26 2.44 2.96 -1.26 -4.73 118.68 123.32 1ur8 s LEU 265 Ca 0.26 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1ur8 s LEU 265 Cb -0.16 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1ur8 s LEU 265 CO 0.10 -1.87 0.07 0.42 -1.32 0.00 0.00 176.35 173.76 1ur8 s THR 266 N 6.16 0.71 0.21 3.68 -4.23 -1.26 -4.69 115.64 116.20 1ur8 s THR 266 Ca 0.43 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 1ur8 s THR 266 Cb -0.06 -2.60 0.14 0.00 1.34 0.00 0.00 72.50 71.32 1ur8 s THR 266 CO 0.09 -0.07 1.75 0.58 -0.54 0.00 0.00 174.62 176.43 1ur8 h VAL 267 N 2.37 1.26 -0.63 2.29 2.07 -0.59 -2.34 116.25 120.68 1ur8 h VAL 267 Ca -0.39 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1ur8 h VAL 267 Cb 1.24 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1ur8 h VAL 267 CO 0.63 0.35 0.18 -0.78 0.02 0.00 0.00 177.57 177.97 1ur8 h ASP 268 N 1.12 0.90 0.14 0.57 3.58 -1.54 -2.37 116.42 118.83 1ur8 h ASP 268 Ca 0.25 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1ur8 h ASP 268 Cb 0.28 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1ur8 h ASP 268 CO -0.01 0.86 -0.12 0.00 -2.88 0.00 0.00 179.24 177.08 1ur8 h ALA 269 N 1.26 -0.25 -0.61 -0.78 0.00 -1.69 -0.82 119.26 116.38 1ur8 h ALA 269 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ur8 h ALA 269 Cb 0.29 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1ur8 h ALA 269 CO -0.01 -0.66 0.35 0.00 0.00 0.00 0.00 179.25 178.94 1ur8 h ALA 270 N 0.56 0.80 -0.08 0.00 0.00 -1.24 0.11 119.26 119.42 1ur8 h ALA 270 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ur8 h ALA 270 Cb 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ur8 h ALA 270 CO -0.02 0.05 0.04 0.28 0.00 0.00 0.00 179.25 179.59 1ur8 h VAL 271 N 0.67 1.11 -0.85 0.00 2.07 -1.23 -2.02 116.25 115.99 1ur8 h VAL 271 Ca 0.26 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1ur8 h VAL 271 Cb 0.11 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ur8 h VAL 271 CO -0.15 0.09 0.45 1.56 0.02 0.00 0.00 177.57 179.55 1ur8 h GLN 272 N 0.01 1.20 -0.47 1.57 1.08 -0.94 -0.69 115.11 116.87 1ur8 h GLN 272 Ca 0.03 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1ur8 h GLN 272 Cb 0.11 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1ur8 h GLN 272 CO -0.00 0.89 0.25 1.96 -0.95 0.00 0.00 178.83 180.98 1ur8 h GLN 273 N 1.20 0.64 -0.05 1.46 4.20 -0.55 -0.91 115.11 121.10 1ur8 h GLN 273 Ca 0.30 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.71 1ur8 h GLN 273 Cb 0.05 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.72 1ur8 h GLN 273 CO -0.05 0.47 -0.91 0.45 -0.67 0.00 0.00 178.83 178.12 1ur8 h HIS 274 N 0.64 1.01 0.00 2.96 3.86 -0.56 -3.25 115.15 119.82 1ur8 h HIS 274 Ca 0.17 -0.52 -0.03 0.00 -1.16 0.00 0.00 60.37 58.83 1ur8 h HIS 274 Cb 0.02 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ur8 h HIS 274 CO 0.00 1.35 -0.16 -0.07 0.86 0.00 0.00 177.93 179.92 1ur8 h LEU 275 N 0.39 0.00 -2.22 2.43 3.38 -0.68 -2.75 115.31 115.86 1ur8 h LEU 275 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ur8 h LEU 275 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ur8 h LEU 275 CO 0.18 0.16 -0.00 0.24 0.09 0.00 0.00 178.44 179.11 1ur8 h MET 276 N 0.00 0.00 -6.28 1.13 2.86 -1.21 -3.28 114.93 108.15 1ur8 h MET 276 Ca -0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1ur8 h MET 276 Cb 0.38 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1ur8 h MET 276 CO 0.02 0.00 -0.01 -1.64 1.06 0.00 0.00 176.91 176.34 1ur8 s MET 277 N -3.91 4.22 0.41 1.72 -1.94 -1.04 0.11 119.30 118.87 1ur8 s MET 277 Ca -0.02 0.76 -0.24 0.00 -1.71 0.00 0.00 55.69 54.48 1ur8 s MET 277 Cb 0.11 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.66 1ur8 s MET 277 CO 0.48 0.62 1.10 -1.83 -0.01 0.00 0.00 175.02 175.38 1ur8 s GLU 278 N -1.20 4.08 -0.01 2.03 1.03 -1.26 -3.34 118.70 120.03 1ur8 s GLU 278 Ca 0.31 1.65 0.00 0.00 0.03 0.00 0.00 54.97 56.96 1ur8 s GLU 278 Cb -0.19 -2.58 0.00 0.00 -0.80 0.00 0.00 34.13 30.56 1ur8 s GLU 278 CO 0.20 -0.25 0.00 0.41 -1.33 0.00 0.00 175.26 174.29 1ur8 n GLY 279 N 0.47 0.45 2.99 -3.83 0.00 -1.26 -4.49 105.19 99.52 1ur8 n GLY 279 Ca 0.05 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1ur8 n GLY 279 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ur8 s VAL 280 N -2.00 2.76 0.33 1.61 1.01 -1.21 -4.64 120.40 118.26 1ur8 s VAL 280 Ca 0.00 -3.13 -0.29 0.00 0.00 0.00 0.00 61.98 58.56 1ur8 s VAL 280 Cb 0.00 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 1ur8 s VAL 280 CO 0.00 -0.79 1.35 -2.16 0.00 0.00 0.00 175.10 173.50 1ur8 s PRO 281 N -0.09 4.31 0.40 2.72 0.04 -1.26 -4.73 135.00 136.39 1ur8 s PRO 281 Ca 0.16 2.27 0.07 0.00 0.04 0.00 0.00 61.00 63.54 1ur8 s PRO 281 Cb -0.24 -3.06 0.82 0.00 0.04 0.00 0.00 34.50 32.06 1ur8 s PRO 281 CO -0.02 -0.26 2.03 0.66 0.04 0.00 0.00 177.00 179.46 1ur8 h SER 282 N 3.51 0.47 0.12 6.66 4.64 -1.91 -2.17 113.55 124.87 1ur8 h SER 282 Ca -0.49 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ur8 h SER 282 Cb 1.23 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1ur8 h SER 282 CO 0.67 0.37 -0.01 0.00 -0.87 0.00 0.00 176.83 176.99 1ur8 h ALA 283 N 1.71 1.08 -0.01 5.18 0.00 -1.85 -1.13 119.26 124.24 1ur8 h ALA 283 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ur8 h ALA 283 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ur8 h ALA 283 CO -0.03 0.01 -0.47 1.63 0.00 0.00 0.00 179.25 180.39 1ur8 n LYS 284 N -3.21 0.70 -3.09 0.00 5.02 -0.82 -3.20 118.16 113.57 1ur8 n LYS 284 Ca -0.03 -0.50 -0.40 0.00 -2.02 0.00 0.00 58.31 55.37 1ur8 n LYS 284 Cb 0.10 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1ur8 n LYS 284 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ur8 s ILE 285 N -2.64 5.06 -0.13 -0.18 1.01 -0.45 -0.76 121.20 123.10 1ur8 s ILE 285 Ca 0.18 1.34 0.03 0.00 0.00 0.00 0.00 60.65 62.20 1ur8 s ILE 285 Cb 0.18 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1ur8 s ILE 285 CO 0.61 0.23 -0.22 -0.69 0.00 0.00 0.00 174.94 174.87 1ur8 s VAL 286 N 1.03 2.11 -0.20 2.92 1.01 -0.70 0.43 120.40 126.99 1ur8 s VAL 286 Ca 0.34 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 1ur8 s VAL 286 Cb -0.17 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1ur8 s VAL 286 CO 0.15 0.55 0.86 -0.32 0.00 0.00 0.00 175.10 176.35 1ur8 s MET 287 N 0.68 4.25 0.31 2.72 1.75 -0.72 -1.34 119.30 126.95 1ur8 s MET 287 Ca -0.10 1.04 -0.16 0.00 -1.25 0.00 0.00 55.69 55.22 1ur8 s MET 287 Cb -0.16 -3.61 -0.09 0.00 2.84 0.00 0.00 34.83 33.81 1ur8 s MET 287 CO 0.01 -0.44 0.75 0.20 -0.65 0.00 0.00 175.02 174.89 1ur8 s GLY 288 N 1.23 2.40 0.07 2.11 0.00 -0.37 -0.80 107.32 111.95 1ur8 s GLY 288 Ca 0.38 0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1ur8 s GLY 288 CO 0.10 0.34 -0.10 -1.34 0.00 0.00 0.00 173.10 172.09 1ur8 s VAL 289 N -1.89 0.80 0.07 1.40 -7.23 0.15 -4.09 120.40 109.61 1ur8 s VAL 289 Ca 0.52 -1.33 -0.15 0.00 -1.81 0.00 0.00 61.98 59.22 1ur8 s VAL 289 Cb -0.12 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1ur8 s VAL 289 CO 0.18 -0.41 0.48 -2.16 -0.31 0.00 0.00 175.10 172.88 1ur8 s PRO 290 N -2.04 3.97 -0.26 4.82 0.04 -1.26 -2.06 135.00 138.20 1ur8 s PRO 290 Ca -0.03 0.46 0.13 0.00 0.04 0.00 0.00 61.00 61.60 1ur8 s PRO 290 Cb -0.07 -3.11 0.67 0.00 0.04 0.00 0.00 34.50 32.03 1ur8 s PRO 290 CO 0.01 0.60 1.65 1.19 0.04 0.00 0.00 177.00 180.49 1ur8 n PHE 291 N 1.38 1.78 -4.03 0.56 3.01 -0.01 -4.48 117.46 115.67 1ur8 n PHE 291 Ca -0.10 -1.05 -0.09 0.00 1.01 0.00 0.00 57.45 57.22 1ur8 n PHE 291 Cb 0.52 -0.52 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 1ur8 n PHE 291 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1ur8 s TYR 292 N -2.93 0.52 0.34 1.38 1.13 -1.26 -0.40 117.35 116.12 1ur8 s TYR 292 Ca 0.50 -0.96 0.09 0.00 -1.41 0.00 0.00 57.07 55.30 1ur8 s TYR 292 Cb 0.40 -0.28 -0.06 0.00 -1.10 0.00 0.00 41.96 40.92 1ur8 s TYR 292 CO 0.11 -0.52 -0.05 0.20 -2.51 0.00 0.00 175.55 172.78 1ur8 s GLY 293 N -2.95 2.11 -0.08 5.49 0.00 0.82 -4.45 107.32 108.26 1ur8 s GLY 293 Ca 0.13 -2.02 0.04 0.00 0.00 0.00 0.00 44.72 42.88 1ur8 s GLY 293 CO -0.05 -1.97 -0.20 0.50 0.00 0.00 0.00 173.10 171.38 1ur8 s ARG 294 N -3.65 2.77 0.04 2.90 0.52 -0.45 -2.33 118.95 118.75 1ur8 s ARG 294 Ca 0.33 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1ur8 s ARG 294 Cb 0.01 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1ur8 s ARG 294 CO 0.18 0.37 -0.11 0.00 0.02 0.00 0.00 175.30 175.76 1ur8 s ALA 295 N -0.12 2.88 0.04 2.13 0.00 -0.08 -1.45 121.76 125.17 1ur8 s ALA 295 Ca -0.04 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1ur8 s ALA 295 Cb -0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1ur8 s ALA 295 CO 0.04 0.61 -0.18 -0.06 0.00 0.00 0.00 175.76 176.17 1ur8 s PHE 296 N -1.03 1.53 0.37 0.00 0.40 0.73 -4.60 117.98 115.37 1ur8 s PHE 296 Ca 0.18 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1ur8 s PHE 296 Cb -0.11 -0.91 -0.06 0.00 0.51 0.00 0.00 43.02 42.45 1ur8 s PHE 296 CO 0.09 0.07 0.00 -1.59 0.70 0.00 0.00 175.22 174.49 1ur8 s LYS 297 N -1.19 1.99 -1.15 0.44 -2.85 -1.26 -1.61 119.74 114.11 1ur8 s LYS 297 Ca 0.05 -1.92 -0.01 0.00 -1.00 0.00 0.00 55.97 53.09 1ur8 s LYS 297 Cb -0.08 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 1ur8 s LYS 297 CO 0.02 0.05 0.18 0.41 0.10 0.00 0.00 175.35 176.10 1ur8 n GLY 298 N -0.95 -0.18 3.90 0.59 0.00 -0.30 -1.51 105.19 106.73 1ur8 n GLY 298 Ca -0.04 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1ur8 n GLY 298 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ur8 s VAL 299 N -2.82 4.95 0.61 1.61 -7.23 -0.71 -4.12 120.40 112.69 1ur8 s VAL 299 Ca 0.09 0.22 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1ur8 s VAL 299 Cb -0.04 -3.73 0.07 0.00 0.56 0.00 0.00 36.38 33.24 1ur8 s VAL 299 CO 0.11 -0.38 0.85 -0.44 -0.31 0.00 0.00 175.10 174.93 1ur8 s SER 300 N -3.16 4.95 0.23 4.85 0.01 -1.26 -4.59 113.70 114.73 1ur8 s SER 300 Ca 0.46 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.55 1ur8 s SER 300 Cb -0.11 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.67 1ur8 s SER 300 CO 0.30 -1.40 0.29 0.61 0.41 0.00 0.00 173.24 173.45 1ur8 n GLY 301 N -2.50 2.19 0.00 3.44 0.00 -1.26 -4.08 105.19 102.98 1ur8 n GLY 301 Ca 0.11 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1ur8 n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur8 n GLY 302 N 2.19 2.73 1.02 -0.02 0.00 -1.26 -4.84 105.19 105.01 1ur8 n GLY 302 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1ur8 n GLY 302 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ur8 n ASN 303 N 0.00 0.34 -1.06 1.61 2.85 -1.26 -4.98 115.26 112.76 1ur8 n ASN 303 Ca 0.00 -1.91 -0.12 0.00 -0.11 0.00 0.00 54.58 52.44 1ur8 n ASN 303 Cb 0.00 -0.17 -0.04 0.00 1.24 0.00 0.00 39.78 40.81 1ur8 n ASN 303 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ur8 n GLY 304 N 0.23 0.89 0.95 8.20 0.00 -1.26 -2.52 105.19 111.68 1ur8 n GLY 304 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ur8 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur8 n GLY 305 N -1.36 1.93 3.76 -0.02 0.00 -1.26 -4.55 105.19 103.70 1ur8 n GLY 305 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1ur8 n GLY 305 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ur8 s GLN 306 N -0.72 4.53 -1.43 1.61 -0.21 -1.05 -3.85 119.66 118.54 1ur8 s GLN 306 Ca 0.00 1.96 -0.10 0.00 0.02 0.00 0.00 55.36 57.25 1ur8 s GLN 306 Cb 0.00 -3.14 0.05 0.00 1.00 0.00 0.00 33.01 30.91 1ur8 s GLN 306 CO 0.00 0.06 1.01 0.66 -2.12 0.00 0.00 175.29 174.90 1ur8 n TYR 307 N 1.04 -2.43 -4.30 0.91 4.01 -0.57 -4.73 117.16 111.09 1ur8 n TYR 307 Ca -0.01 0.94 -0.28 0.00 -0.16 0.00 0.00 57.90 58.39 1ur8 n TYR 307 Cb 0.44 -4.44 -0.10 0.00 -0.31 0.00 0.00 39.34 34.93 1ur8 n TYR 307 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ur8 s SER 308 N -3.52 4.09 0.80 7.72 0.15 -1.25 -4.72 113.70 116.97 1ur8 s SER 308 Ca 0.51 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 1ur8 s SER 308 Cb -0.25 -0.64 0.07 0.00 -1.71 0.00 0.00 66.02 63.50 1ur8 s SER 308 CO 0.79 0.13 1.09 -0.94 1.20 0.00 0.00 173.24 175.52 1ur8 s SER 309 N -2.58 4.23 0.35 5.45 1.04 -1.26 -0.81 113.70 120.12 1ur8 s SER 309 Ca 0.22 1.79 -0.07 0.00 0.48 0.00 0.00 55.95 58.37 1ur8 s SER 309 Cb -0.09 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.58 1ur8 s SER 309 CO 0.13 -2.21 0.57 -1.38 0.98 0.00 0.00 173.24 171.33 1ur8 s HIS 310 N -2.89 0.74 -0.32 5.02 -3.43 -1.26 -4.15 115.29 109.00 1ur8 s HIS 310 Ca 0.62 -1.10 0.12 0.00 -0.80 0.00 0.00 55.06 53.90 1ur8 s HIS 310 Cb -0.18 0.21 0.46 0.00 -1.43 0.00 0.00 32.58 31.64 1ur8 s HIS 310 CO 0.56 -1.25 1.11 -1.13 -2.00 0.00 0.00 174.74 172.03 1ur8 n SER 311 N -1.33 3.44 -4.71 7.38 3.41 -0.57 -5.00 113.62 116.24 1ur8 n SER 311 Ca -0.02 -3.13 -0.36 0.00 -0.26 0.00 0.00 58.87 55.10 1ur8 n SER 311 Cb 0.61 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1ur8 n SER 311 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ur8 s THR 312 N -4.36 5.32 0.36 6.66 2.01 -1.26 -4.83 115.64 119.54 1ur8 s THR 312 Ca 0.40 0.44 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 1ur8 s THR 312 Cb 0.39 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.20 1ur8 s THR 312 CO -0.03 0.37 1.47 -2.84 -0.69 0.00 0.00 174.62 172.90 1ur8 s PRO 313 N 0.65 4.15 -0.01 4.92 0.02 -1.26 -4.83 135.00 138.65 1ur8 s PRO 313 Ca 0.14 2.51 0.18 0.00 0.02 0.00 0.00 61.00 63.85 1ur8 s PRO 313 Cb -0.13 -2.99 -0.22 0.00 0.02 0.00 0.00 34.50 31.18 1ur8 s PRO 313 CO 0.03 -0.49 0.67 0.41 -0.33 0.00 0.00 177.00 177.29 1ur8 n GLY 314 N 0.75 -0.74 3.84 0.52 0.00 -1.26 -4.80 105.19 103.51 1ur8 n GLY 314 Ca 0.02 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1ur8 n GLY 314 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ur8 s GLU 315 N -2.86 3.78 -0.08 1.61 1.03 -1.26 -4.61 118.70 116.30 1ur8 s GLU 315 Ca 0.03 0.93 0.04 0.00 0.03 0.00 0.00 54.97 56.00 1ur8 s GLU 315 Cb 0.13 -2.11 -0.01 0.00 -0.80 0.00 0.00 34.13 31.34 1ur8 s GLU 315 CO 0.75 -0.41 -0.19 -0.51 -1.33 0.00 0.00 175.26 173.56 1ur8 s ASP 316 N -3.32 3.53 1.02 0.83 1.01 -1.26 -3.88 116.67 114.60 1ur8 s ASP 316 Ca 0.58 -0.40 -0.14 0.00 0.71 0.00 0.00 52.55 53.30 1ur8 s ASP 316 Cb -0.11 -1.10 0.20 0.00 1.01 0.00 0.00 42.92 42.92 1ur8 s ASP 316 CO 0.38 0.24 1.13 -2.16 0.21 0.00 0.00 175.17 174.97 1ur8 s PRO 317 N -0.10 0.28 -0.22 8.23 0.04 -1.26 -5.02 135.00 136.96 1ur8 s PRO 317 Ca -0.04 0.21 -0.33 0.00 0.04 0.00 0.00 61.00 60.89 1ur8 s PRO 317 Cb -0.14 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1ur8 s PRO 317 CO 0.04 -2.76 2.08 0.98 0.04 0.00 0.00 177.00 177.38 1ur8 n TYR 318 N -4.14 1.98 0.09 0.56 -0.00 -1.25 -4.81 117.16 109.58 1ur8 n TYR 318 Ca 0.08 0.06 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 1ur8 n TYR 318 Cb 0.59 -2.64 0.00 0.00 -0.00 0.00 0.00 39.34 37.29 1ur8 n TYR 318 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1ur8 n PRO 319 N 7.77 0.64 -3.81 2.98 -0.04 -1.26 -4.83 135.00 136.44 1ur8 n PRO 319 Ca 0.31 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 1ur8 n PRO 319 Cb 0.31 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1ur8 n PRO 319 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ur8 s SER 320 N 1.58 -0.10 0.00 3.54 0.15 -1.26 -5.02 113.70 112.59 1ur8 s SER 320 Ca 0.00 -0.63 0.06 0.00 0.70 0.00 0.00 55.95 56.09 1ur8 s SER 320 Cb 0.00 0.57 0.13 0.00 -1.71 0.00 0.00 66.02 65.01 1ur8 s SER 320 CO 0.00 -1.09 0.98 0.35 1.20 0.00 0.00 173.24 174.68 1ur8 n THR 321 N -0.55 0.63 -2.73 6.45 -2.24 -1.26 -4.94 114.28 109.62 1ur8 n THR 321 Ca -0.05 -0.81 -0.43 0.00 -2.27 0.00 0.00 64.05 60.49 1ur8 n THR 321 Cb 0.60 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 1ur8 n THR 321 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ur8 s ASP 322 N -0.83 6.38 -1.04 3.42 3.68 -1.26 -4.96 116.67 122.07 1ur8 s ASP 322 Ca 0.11 -0.18 -0.12 0.00 2.13 0.00 0.00 52.55 54.49 1ur8 s ASP 322 Cb 0.06 -2.48 0.23 0.00 -1.45 0.00 0.00 42.92 39.28 1ur8 s ASP 322 CO 0.09 -1.34 1.08 -0.31 0.13 0.00 0.00 175.17 174.82 1ur8 s TYR 323 N 4.37 3.89 -2.20 -5.34 2.02 -1.26 -4.82 117.35 114.00 1ur8 s TYR 323 Ca 0.35 -2.28 0.26 0.00 -0.37 0.00 0.00 57.07 55.04 1ur8 s TYR 323 Cb -0.10 -3.97 1.30 0.00 -0.40 0.00 0.00 41.96 38.79 1ur8 s TYR 323 CO 0.22 -1.10 1.87 -2.67 -1.57 0.00 0.00 175.55 172.30 1ur8 n TRP 324 N 3.96 0.04 -2.73 2.71 4.27 -1.26 -4.72 117.44 119.70 1ur8 n TRP 324 Ca 0.24 -0.02 -0.42 0.00 -3.89 0.00 0.00 57.50 53.40 1ur8 n TRP 324 Cb 0.43 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.35 1ur8 n TRP 324 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1ur8 s LEU 325 N -1.85 4.20 -0.20 5.67 0.20 -1.26 -4.95 118.68 120.49 1ur8 s LEU 325 Ca 0.39 -1.69 -0.40 0.00 0.69 0.00 0.00 54.13 53.12 1ur8 s LEU 325 Cb 0.19 -2.49 -0.16 0.00 -0.43 0.00 0.00 46.19 43.30 1ur8 s LEU 325 CO 0.31 -1.32 1.62 0.52 -0.29 0.00 0.00 176.35 177.20 1ur8 n VAL 326 N 6.25 0.21 -0.25 1.68 0.31 -1.26 -1.11 118.33 124.15 1ur8 n VAL 326 Ca 0.28 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1ur8 n VAL 326 Cb 0.50 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1ur8 n VAL 326 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ur8 n GLY 327 N 3.73 1.25 3.40 2.92 0.00 -1.26 -5.00 105.19 110.23 1ur8 n GLY 327 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 1ur8 n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ur8 h GLU 329 N 8.41 0.00 -0.36 0.00 3.07 -1.95 -2.66 114.58 121.09 1ur8 h GLU 329 Ca 0.14 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1ur8 h GLU 329 Cb 1.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1ur8 h GLU 329 CO 0.97 0.45 -0.06 1.49 -1.40 0.00 0.00 179.01 180.46 1ur8 h GLU 330 N 0.00 0.60 -0.17 2.33 4.81 -1.98 -1.33 114.58 118.84 1ur8 h GLU 330 Ca -0.00 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1ur8 h GLU 330 Cb 0.92 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1ur8 h GLU 330 CO 0.06 0.67 -0.17 0.00 -0.73 0.00 0.00 179.01 178.84 1ur8 h VAL 332 N 0.26 1.39 -0.73 0.00 2.07 -1.39 0.13 116.25 117.97 1ur8 h VAL 332 Ca 0.05 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1ur8 h VAL 332 Cb 0.45 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1ur8 h VAL 332 CO 0.03 0.50 0.39 -0.09 0.02 0.00 0.00 177.57 178.42 1ur8 h ARG 333 N -0.02 1.01 -0.55 1.57 2.43 -0.69 -2.89 114.38 115.24 1ur8 h ARG 333 Ca -0.02 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1ur8 h ARG 333 Cb 1.00 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ur8 h ARG 333 CO 0.08 0.75 0.00 -0.25 -1.51 0.00 0.00 179.97 179.03 1ur8 n ASP 334 N -4.36 3.65 -2.80 -3.80 8.00 0.69 -4.98 116.55 112.95 1ur8 n ASP 334 Ca 0.07 -1.99 -0.19 0.00 0.71 0.00 0.00 54.79 53.39 1ur8 n ASP 334 Cb 0.10 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1ur8 n ASP 334 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ur8 n LYS 335 N 1.50 -3.16 -3.51 -1.24 2.85 0.34 -4.98 118.16 109.96 1ur8 n LYS 335 Ca 0.21 0.76 -0.14 0.00 -1.05 0.00 0.00 58.31 58.09 1ur8 n LYS 335 Cb 0.60 -5.47 -0.11 0.00 -0.65 0.00 0.00 35.03 29.39 1ur8 n LYS 335 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ur8 s ASP 336 N -2.38 0.68 0.00 -5.58 -1.08 -0.58 -4.67 116.67 103.06 1ur8 s ASP 336 Ca 0.17 0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.58 1ur8 s ASP 336 Cb -0.08 0.74 0.67 0.00 -1.46 0.00 0.00 42.92 42.78 1ur8 s ASP 336 CO 0.22 -0.29 1.49 -0.81 0.52 0.00 0.00 175.17 176.29 1ur8 n PRO 337 N 5.34 1.66 0.00 4.34 -0.04 -1.26 -4.00 135.00 141.04 1ur8 n PRO 337 Ca -0.05 -1.00 0.13 0.00 -0.04 0.00 0.00 63.50 62.55 1ur8 n PRO 337 Cb 0.50 -1.35 0.44 0.00 -0.04 0.00 0.00 33.50 33.05 1ur8 n PRO 337 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ur8 n ARG 338 N 0.24 1.25 -3.89 0.54 1.74 -1.26 -4.59 116.66 110.68 1ur8 n ARG 338 Ca 0.15 -0.73 -0.11 0.00 -0.77 0.00 0.00 57.85 56.38 1ur8 n ARG 338 Cb 0.29 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.12 1ur8 n ARG 338 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ur8 s ILE 339 N -2.26 0.04 -0.17 0.55 -1.09 -1.26 -0.90 121.20 116.12 1ur8 s ILE 339 Ca 0.31 -0.36 -0.13 0.00 -2.23 0.00 0.00 60.65 58.24 1ur8 s ILE 339 Cb 0.20 -0.20 0.05 0.00 -1.58 0.00 0.00 42.46 40.93 1ur8 s ILE 339 CO 0.43 -0.20 0.43 0.00 -1.23 0.00 0.00 174.94 174.37 1ur8 s ALA 340 N -0.61 -1.08 0.72 9.38 0.00 -0.98 -4.73 121.76 124.45 1ur8 s ALA 340 Ca -0.07 1.36 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1ur8 s ALA 340 Cb -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.30 1ur8 s ALA 340 CO 0.00 -0.23 1.14 -1.54 0.00 0.00 0.00 175.76 175.13 1ur8 s SER 341 N 0.69 4.55 0.36 0.00 1.04 -1.26 -0.13 113.70 118.94 1ur8 s SER 341 Ca -0.04 2.09 0.06 0.00 0.48 0.00 0.00 55.95 58.54 1ur8 s SER 341 Cb -0.05 -2.56 0.73 0.00 0.10 0.00 0.00 66.02 64.24 1ur8 s SER 341 CO -0.05 -2.01 1.95 0.22 0.98 0.00 0.00 173.24 174.33 1ur8 h TYR 342 N -0.42 0.79 -0.23 5.02 3.20 -0.42 0.19 116.97 125.10 1ur8 h TYR 342 Ca -0.46 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.47 1ur8 h TYR 342 Cb 1.26 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 1ur8 h TYR 342 CO 0.53 0.41 -0.02 -0.09 -1.64 0.00 0.00 178.16 177.34 1ur8 h ARG 343 N 0.77 0.04 -0.25 1.82 2.43 -1.55 -0.97 114.38 116.68 1ur8 h ARG 343 Ca 0.32 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1ur8 h ARG 343 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1ur8 h ARG 343 CO -0.11 0.03 0.08 0.37 -1.51 0.00 0.00 179.97 178.83 1ur8 h GLN 344 N 0.04 0.38 -0.74 0.20 5.75 -1.60 -2.36 115.11 116.78 1ur8 h GLN 344 Ca 0.11 -0.08 0.13 0.00 -0.15 0.00 0.00 58.65 58.66 1ur8 h GLN 344 Cb 0.15 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.56 1ur8 h GLN 344 CO -0.21 0.45 0.32 -0.07 -2.65 0.00 0.00 178.83 176.67 1ur8 h LEU 345 N 0.24 0.33 -0.26 -2.39 3.38 -0.67 0.19 115.31 116.12 1ur8 h LEU 345 Ca 0.08 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ur8 h LEU 345 Cb 0.22 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1ur8 h LEU 345 CO -0.00 0.15 0.15 -0.08 0.09 0.00 0.00 178.44 178.75 1ur8 h GLU 346 N 0.49 0.36 -0.52 1.13 4.81 -1.07 -0.18 114.58 119.60 1ur8 h GLU 346 Ca 0.40 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1ur8 h GLU 346 Cb 0.56 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1ur8 h GLU 346 CO -0.37 0.30 0.28 1.96 -0.73 0.00 0.00 179.01 180.45 1ur8 h GLN 347 N 0.32 0.72 -0.41 1.92 4.20 -0.53 0.25 115.11 121.58 1ur8 h GLN 347 Ca 0.09 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1ur8 h GLN 347 Cb 0.04 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1ur8 h GLN 347 CO -0.02 0.53 -0.15 0.52 -0.67 0.00 0.00 178.83 179.04 1ur8 h MET 348 N 0.72 0.75 -0.33 1.46 2.86 -0.09 -2.52 114.93 117.79 1ur8 h MET 348 Ca 0.19 -0.27 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1ur8 h MET 348 Cb 0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1ur8 h MET 348 CO -0.03 0.86 -0.33 -0.07 1.06 0.00 0.00 176.91 178.40 1ur8 h LEU 349 N 0.67 0.86 -1.86 1.22 3.38 -0.18 -3.06 115.31 116.34 1ur8 h LEU 349 Ca 0.11 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1ur8 h LEU 349 Cb 0.63 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ur8 h LEU 349 CO 0.04 1.15 -0.13 1.56 0.09 0.00 0.00 178.44 181.16 1ur8 h GLN 350 N 0.59 0.00 -7.03 1.13 4.20 -0.84 -3.43 115.11 109.73 1ur8 h GLN 350 Ca 0.05 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.31 1ur8 h GLN 350 Cb 0.91 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.75 1ur8 h GLN 350 CO 0.08 0.13 0.09 0.20 -0.67 0.00 0.00 178.83 178.66 1ur8 s GLY 351 N -4.20 1.68 -1.00 3.46 0.00 -0.96 -5.01 107.32 101.30 1ur8 s GLY 351 Ca -0.03 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 1ur8 s GLY 351 CO 0.59 -0.70 1.01 -1.31 0.00 0.00 0.00 173.10 172.70 1ur8 s ASN 352 N -4.39 7.03 0.00 1.64 -0.87 -1.26 -4.69 114.94 112.40 1ur8 s ASN 352 Ca 0.56 -3.06 0.11 0.00 -1.57 0.00 0.00 52.86 48.89 1ur8 s ASN 352 Cb -0.10 -2.25 0.22 0.00 -0.02 0.00 0.00 41.25 39.10 1ur8 s ASN 352 CO 0.42 -0.51 1.10 -1.22 -2.57 0.00 0.00 177.10 174.32 1ur8 n TYR 353 N 3.81 0.28 -0.66 2.20 4.01 -1.26 -4.98 117.16 120.56 1ur8 n TYR 353 Ca 0.21 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1ur8 n TYR 353 Cb 0.43 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1ur8 n TYR 353 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ur8 n GLY 354 N 0.54 0.68 3.73 2.72 0.00 -1.26 -5.02 105.19 106.59 1ur8 n GLY 354 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ur8 n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ur8 s TYR 355 N -2.08 3.78 -0.15 1.61 2.02 -1.26 -4.38 117.35 116.88 1ur8 s TYR 355 Ca 0.00 1.71 -0.04 0.00 -0.37 0.00 0.00 57.07 58.37 1ur8 s TYR 355 Cb 0.00 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.53 1ur8 s TYR 355 CO 0.00 0.20 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.51 1ur8 s GLN 356 N 0.08 3.64 -0.27 -0.62 -0.21 -0.17 -4.93 119.66 117.18 1ur8 s GLN 356 Ca 0.45 -0.49 -0.19 0.00 0.02 0.00 0.00 55.36 55.15 1ur8 s GLN 356 Cb -0.22 -2.94 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 1ur8 s GLN 356 CO 0.28 0.30 0.59 0.50 -2.12 0.00 0.00 175.29 174.84 1ur8 s ARG 357 N 0.23 4.02 0.44 2.91 3.52 -1.26 -1.17 118.95 127.64 1ur8 s ARG 357 Ca -0.01 0.38 0.07 0.00 -0.13 0.00 0.00 55.73 56.04 1ur8 s ARG 357 Cb -0.14 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.55 1ur8 s ARG 357 CO 0.02 -0.45 0.29 -0.51 -0.81 0.00 0.00 175.30 173.85 1ur8 s LEU 358 N 2.47 3.11 -0.01 -0.88 2.01 0.85 -4.97 118.68 121.26 1ur8 s LEU 358 Ca 0.24 -1.01 0.00 0.00 0.01 0.00 0.00 54.13 53.37 1ur8 s LEU 358 Cb -0.15 -1.59 0.01 0.00 0.01 0.00 0.00 46.19 44.47 1ur8 s LEU 358 CO 0.10 -0.70 0.01 0.86 1.01 0.00 0.00 176.35 177.63 1ur8 s TRP 359 N -2.60 0.06 -0.29 0.29 -0.11 -1.26 -1.84 118.94 113.19 1ur8 s TRP 359 Ca 0.41 0.04 -0.07 0.00 1.22 0.00 0.00 56.10 57.70 1ur8 s TRP 359 Cb 0.00 -0.13 -0.00 0.00 -1.50 0.00 0.00 33.47 31.84 1ur8 s TRP 359 CO 0.24 -0.04 0.09 1.21 -4.62 0.00 0.00 176.95 173.82 1ur8 s ASN 360 N 0.47 5.19 0.00 5.86 3.84 -0.51 -4.97 114.94 124.82 1ur8 s ASN 360 Ca -0.04 -0.58 0.31 0.00 0.21 0.00 0.00 52.86 52.75 1ur8 s ASN 360 Cb -0.06 -1.91 1.71 0.00 -0.55 0.00 0.00 41.25 40.44 1ur8 s ASN 360 CO -0.01 -0.16 2.12 -0.67 -2.79 0.00 0.00 177.10 175.59 1ur8 n ASP 361 N 4.90 0.00 -0.10 -4.21 2.03 -1.26 -0.42 116.55 117.49 1ur8 n ASP 361 Ca -0.15 -0.62 -0.19 0.00 0.52 0.00 0.00 54.79 54.36 1ur8 n ASP 361 Cb 0.49 -0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.69 1ur8 n ASP 361 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ur8 n LYS 362 N -1.12 0.54 0.09 -0.67 4.76 -1.26 -4.35 118.16 116.15 1ur8 n LYS 362 Ca 0.19 0.44 0.13 0.00 -2.87 0.00 0.00 58.31 56.20 1ur8 n LYS 362 Cb 0.16 -1.63 0.44 0.00 -1.84 0.00 0.00 35.03 32.17 1ur8 n LYS 362 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ur8 n THR 363 N -4.43 0.53 -3.62 -0.18 -2.24 -1.23 -3.96 114.28 99.15 1ur8 n THR 363 Ca -0.31 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.06 1ur8 n THR 363 Cb 0.63 -0.62 0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1ur8 n THR 363 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ur8 n LYS 364 N -2.14 -5.86 -3.92 -0.78 4.76 0.44 -1.30 118.16 109.36 1ur8 n LYS 364 Ca 0.06 0.72 -0.10 0.00 -2.87 0.00 0.00 58.31 56.11 1ur8 n LYS 364 Cb 0.40 -5.52 -0.10 0.00 -1.84 0.00 0.00 35.03 27.97 1ur8 n LYS 364 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ur8 s THR 365 N -3.49 0.11 0.56 -0.18 -4.23 -1.12 -4.46 115.64 102.82 1ur8 s THR 365 Ca 0.12 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.69 1ur8 s THR 365 Cb -0.06 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.20 1ur8 s THR 365 CO 0.78 -0.50 0.83 -2.16 -0.54 0.00 0.00 174.62 173.02 1ur8 s PRO 366 N -1.93 2.82 0.05 3.99 0.04 -1.26 -1.42 135.00 137.30 1ur8 s PRO 366 Ca -0.11 -0.29 -0.26 0.00 0.04 0.00 0.00 61.00 60.38 1ur8 s PRO 366 Cb -0.05 -2.38 0.07 0.00 0.04 0.00 0.00 34.50 32.18 1ur8 s PRO 366 CO -0.02 -0.64 0.62 1.52 0.04 0.00 0.00 177.00 178.53 1ur8 s TYR 367 N -2.86 -0.58 0.02 0.56 1.13 -0.77 -3.59 117.35 111.27 1ur8 s TYR 367 Ca 0.53 0.71 0.03 0.00 -1.41 0.00 0.00 57.07 56.93 1ur8 s TYR 367 Cb -0.10 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1ur8 s TYR 367 CO 0.42 -0.71 -0.01 -0.51 -2.51 0.00 0.00 175.55 172.23 1ur8 s LEU 368 N -1.93 3.45 -0.06 -3.49 1.43 0.11 -0.11 118.68 118.09 1ur8 s LEU 368 Ca -0.05 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1ur8 s LEU 368 Cb -0.01 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1ur8 s LEU 368 CO -0.01 0.26 -0.07 -0.47 0.23 0.00 0.00 176.35 176.29 1ur8 s TYR 369 N -1.13 1.04 -0.59 0.29 5.04 -0.32 -1.83 117.35 119.87 1ur8 s TYR 369 Ca 0.21 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1ur8 s TYR 369 Cb -0.11 -0.86 0.15 0.00 0.35 0.00 0.00 41.96 41.48 1ur8 s TYR 369 CO 0.12 -0.27 0.38 -1.58 -1.34 0.00 0.00 175.55 172.87 1ur8 s HIS 370 N 1.01 3.38 0.27 4.97 5.65 -0.50 -1.00 115.29 129.08 1ur8 s HIS 370 Ca -0.09 -2.80 -0.01 0.00 0.25 0.00 0.00 55.06 52.41 1ur8 s HIS 370 Cb -0.14 -3.12 0.51 0.00 -1.18 0.00 0.00 32.58 28.65 1ur8 s HIS 370 CO -0.00 -0.83 1.81 0.00 -0.65 0.00 0.00 174.74 175.07 1ur8 h ALA 371 N 6.99 1.36 0.26 1.58 0.00 -1.85 0.11 119.26 127.71 1ur8 h ALA 371 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ur8 h ALA 371 Cb 0.95 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ur8 h ALA 371 CO 0.70 0.10 -0.15 0.37 0.00 0.00 0.00 179.25 180.27 1ur8 h GLN 372 N 0.83 -0.37 -0.17 0.00 4.15 -1.93 -3.15 115.11 114.47 1ur8 h GLN 372 Ca 0.46 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.91 1ur8 h GLN 372 Cb 0.51 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1ur8 h GLN 372 CO -0.29 -0.25 0.00 0.09 -1.93 0.00 0.00 178.83 176.45 1ur8 n ASN 373 N -5.27 2.82 -2.87 -0.69 5.03 -1.17 -4.99 115.26 108.12 1ur8 n ASN 373 Ca -0.09 -1.90 -0.11 0.00 0.87 0.00 0.00 54.58 53.35 1ur8 n ASN 373 Cb 0.19 -0.10 0.05 0.00 -1.02 0.00 0.00 39.78 38.90 1ur8 n ASN 373 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ur8 n GLY 374 N 1.36 -0.76 3.44 7.41 0.00 0.34 -4.26 105.19 112.72 1ur8 n GLY 374 Ca 0.17 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 1ur8 n GLY 374 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ur8 s LEU 375 N -4.76 2.53 -0.02 0.99 1.43 -0.86 -1.15 118.68 116.84 1ur8 s LEU 375 Ca 0.33 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ur8 s LEU 375 Cb -0.04 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1ur8 s LEU 375 CO 0.59 0.18 0.01 0.12 0.23 0.00 0.00 176.35 177.48 1ur8 s PHE 376 N -1.10 0.13 -0.07 0.29 5.36 -0.63 -1.41 117.98 120.55 1ur8 s PHE 376 Ca 0.16 0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.20 1ur8 s PHE 376 Cb -0.10 -0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.36 1ur8 s PHE 376 CO 0.08 -0.07 -0.10 0.08 -1.46 0.00 0.00 175.22 173.74 1ur8 s VAL 377 N 0.72 1.02 -0.16 3.12 1.01 -0.76 -0.20 120.40 125.16 1ur8 s VAL 377 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1ur8 s VAL 377 Cb -0.09 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1ur8 s VAL 377 CO -0.02 0.33 -0.03 0.28 0.00 0.00 0.00 175.10 175.66 1ur8 s THR 378 N 0.82 3.91 0.38 3.92 -1.32 -0.53 -0.71 115.64 122.11 1ur8 s THR 378 Ca -0.12 -0.35 -0.10 0.00 -1.21 0.00 0.00 61.69 59.91 1ur8 s THR 378 Cb -0.15 -2.72 0.04 0.00 -1.51 0.00 0.00 72.50 68.16 1ur8 s THR 378 CO 0.02 0.49 0.67 -0.72 -2.21 0.00 0.00 174.62 172.87 1ur8 s TYR 379 N 0.39 0.53 0.27 9.09 1.13 -1.24 -1.34 117.35 126.19 1ur8 s TYR 379 Ca -0.04 -1.03 0.12 0.00 -1.41 0.00 0.00 57.07 54.71 1ur8 s TYR 379 Cb -0.14 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.14 1ur8 s TYR 379 CO 0.03 -1.42 -0.19 -0.51 -2.51 0.00 0.00 175.55 170.94 1ur8 s ASP 380 N -3.15 3.63 0.19 -0.18 1.11 -1.26 -4.01 116.67 113.00 1ur8 s ASP 380 Ca 0.22 -0.99 -0.02 0.00 0.18 0.00 0.00 52.55 51.93 1ur8 s ASP 380 Cb -0.03 -0.33 0.01 0.00 1.07 0.00 0.00 42.92 43.64 1ur8 s ASP 380 CO 0.16 0.04 0.28 -0.90 1.18 0.00 0.00 175.17 175.93 1ur8 n ASP 381 N -0.56 -0.80 0.19 0.27 5.68 -1.26 -4.91 116.55 115.17 1ur8 n ASP 381 Ca -0.06 -2.00 0.15 0.00 -0.50 0.00 0.00 54.79 52.38 1ur8 n ASP 381 Cb 0.60 1.46 0.75 0.00 -1.14 0.00 0.00 41.12 42.78 1ur8 n ASP 381 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ur8 h ALA 382 N 1.79 1.98 -0.01 2.12 0.00 -1.94 -1.22 119.26 121.99 1ur8 h ALA 382 Ca -0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ur8 h ALA 382 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ur8 h ALA 382 CO 0.20 -0.24 -0.03 1.49 0.00 0.00 0.00 179.25 180.68 1ur8 h GLU 383 N 0.00 0.03 -0.09 0.00 4.81 -1.98 -2.96 114.58 114.39 1ur8 h GLU 383 Ca 0.08 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ur8 h GLU 383 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1ur8 h GLU 383 CO -0.00 0.68 -0.07 0.66 -0.73 0.00 0.00 179.01 179.55 1ur8 h SER 384 N -0.62 0.12 0.53 1.04 4.64 -1.68 -1.24 113.55 116.34 1ur8 h SER 384 Ca -0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1ur8 h SER 384 Cb 0.69 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1ur8 h SER 384 CO 0.01 0.22 -0.02 -0.26 -0.87 0.00 0.00 176.83 175.90 1ur8 h PHE 385 N 0.13 0.00 -0.15 4.77 0.04 -1.16 -2.19 116.94 118.37 1ur8 h PHE 385 Ca 0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1ur8 h PHE 385 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1ur8 h PHE 385 CO 0.00 0.02 -0.01 0.87 -0.60 0.00 0.00 178.31 178.60 1ur8 h LYS 386 N 0.00 0.28 -0.46 1.51 1.57 -1.05 -0.49 116.57 117.93 1ur8 h LYS 386 Ca -0.00 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1ur8 h LYS 386 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1ur8 h LYS 386 CO 0.00 0.51 -0.09 1.88 -0.57 0.00 0.00 179.45 181.18 1ur8 h TYR 387 N 0.01 0.97 -0.55 -1.35 0.05 -1.55 -1.87 116.97 112.68 1ur8 h TYR 387 Ca 0.04 -0.20 -0.09 0.00 0.05 0.00 0.00 58.73 58.53 1ur8 h TYR 387 Cb 0.39 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1ur8 h TYR 387 CO 0.04 0.96 -0.01 0.87 -1.05 0.00 0.00 178.16 178.97 1ur8 h LYS 388 N 0.71 0.95 -0.56 4.88 1.57 -1.41 -0.50 116.57 122.20 1ur8 h LYS 388 Ca 0.12 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1ur8 h LYS 388 Cb 0.63 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1ur8 h LYS 388 CO 0.04 0.94 0.13 0.00 -0.57 0.00 0.00 179.45 179.99 1ur8 h ALA 389 N 1.11 0.75 -0.55 3.86 0.00 -0.97 -0.09 119.26 123.37 1ur8 h ALA 389 Ca 0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ur8 h ALA 389 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ur8 h ALA 389 CO 0.03 0.46 -0.02 -0.22 0.00 0.00 0.00 179.25 179.50 1ur8 h LYS 390 N 0.81 0.95 -0.30 0.00 3.64 -1.11 -2.23 116.57 118.33 1ur8 h LYS 390 Ca 0.18 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1ur8 h LYS 390 Cb 0.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1ur8 h LYS 390 CO 0.00 0.95 0.19 -0.92 -2.27 0.00 0.00 179.45 177.40 1ur8 h TYR 391 N 0.87 0.38 -0.79 1.91 3.20 -0.70 0.65 116.97 122.49 1ur8 h TYR 391 Ca 0.16 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.13 1ur8 h TYR 391 Cb 0.53 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1ur8 h TYR 391 CO 0.03 0.25 0.52 0.82 -1.64 0.00 0.00 178.16 178.14 1ur8 h ILE 392 N 0.40 0.95 -0.01 1.81 2.04 -0.80 0.26 117.51 122.15 1ur8 h ILE 392 Ca 0.11 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1ur8 h ILE 392 Cb -0.03 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1ur8 h ILE 392 CO -0.02 0.13 -0.38 0.11 0.00 0.00 0.00 178.15 177.99 1ur8 h LYS 393 N 0.73 0.27 -0.69 2.37 1.57 -0.74 -1.13 116.57 118.96 1ur8 h LYS 393 Ca 0.36 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ur8 h LYS 393 Cb 0.43 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1ur8 h LYS 393 CO -0.14 0.98 0.45 1.96 -0.57 0.00 0.00 179.45 182.14 1ur8 h GLN 394 N -0.32 0.89 -0.05 3.15 4.20 -0.56 -2.22 115.11 120.19 1ur8 h GLN 394 Ca -0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1ur8 h GLN 394 Cb 1.11 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1ur8 h GLN 394 CO 0.08 0.59 0.00 1.04 -0.67 0.00 0.00 178.83 179.86 1ur8 n GLN 395 N -4.62 1.33 -3.83 1.46 1.13 0.05 -4.94 117.38 107.96 1ur8 n GLN 395 Ca 0.06 -0.48 -0.28 0.00 -1.94 0.00 0.00 57.00 54.36 1ur8 n GLN 395 Cb 0.03 -1.40 0.04 0.00 0.11 0.00 0.00 30.24 29.02 1ur8 n GLN 395 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1ur8 n GLN 396 N -0.34 -5.75 -1.87 -1.09 6.02 -0.84 -4.90 117.38 108.61 1ur8 n GLN 396 Ca 0.17 0.64 -0.30 0.00 -0.01 0.00 0.00 57.00 57.50 1ur8 n GLN 396 Cb 0.20 -5.49 0.04 0.00 1.02 0.00 0.00 30.24 26.01 1ur8 n GLN 396 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ur8 s LEU 397 N -7.16 2.95 0.42 1.08 1.43 -0.47 -3.12 118.68 113.81 1ur8 s LEU 397 Ca 0.52 1.19 0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1ur8 s LEU 397 Cb -0.26 -4.02 0.95 0.00 0.03 0.00 0.00 46.19 42.89 1ur8 s LEU 397 CO 0.81 -1.28 1.90 1.23 0.23 0.00 0.00 176.35 179.24 1ur8 h GLY 398 N -0.61 0.00 0.00 -3.19 0.00 0.24 -3.45 103.07 96.05 1ur8 h GLY 398 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ur8 h GLY 398 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1ur8 n GLY 399 N -0.47 -0.37 3.34 4.60 0.00 -1.23 -1.02 105.19 110.04 1ur8 n GLY 399 Ca -0.02 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 1ur8 n GLY 399 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur8 s VAL 400 N -3.25 1.88 0.07 1.61 0.11 0.13 -1.76 120.40 119.18 1ur8 s VAL 400 Ca 0.00 -1.94 0.01 0.00 -2.93 0.00 0.00 61.98 57.12 1ur8 s VAL 400 Cb 0.00 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1ur8 s VAL 400 CO 0.00 -0.30 -0.06 -0.32 -3.33 0.00 0.00 175.10 171.08 1ur8 s MET 401 N -2.81 0.69 0.02 1.54 0.00 0.02 -1.43 119.30 117.33 1ur8 s MET 401 Ca 0.16 -1.12 -0.12 0.00 0.00 0.00 0.00 55.69 54.61 1ur8 s MET 401 Cb -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 34.83 34.63 1ur8 s MET 401 CO 0.07 -0.01 0.25 -0.59 0.00 0.00 0.00 175.02 174.74 1ur8 s PHE 402 N -2.91 -0.07 -0.22 4.11 -0.12 -0.10 -0.67 117.98 118.00 1ur8 s PHE 402 Ca 0.04 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 1ur8 s PHE 402 Cb 0.00 0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1ur8 s PHE 402 CO -0.04 -0.41 -0.12 -0.46 -0.05 0.00 0.00 175.22 174.14 1ur8 s TRP 403 N -1.96 2.73 0.06 3.49 -0.11 -0.88 -1.54 118.94 120.73 1ur8 s TRP 403 Ca -0.09 -1.83 -0.04 0.00 1.22 0.00 0.00 56.10 55.36 1ur8 s TRP 403 Cb -0.03 -1.77 -0.02 0.00 -1.50 0.00 0.00 33.47 30.14 1ur8 s TRP 403 CO -0.00 -0.80 0.06 -3.38 -4.62 0.00 0.00 176.95 168.21 1ur8 s HIS 404 N 1.29 0.36 0.28 5.86 -3.43 -1.26 -0.83 115.29 117.56 1ur8 s HIS 404 Ca -0.03 -0.85 -0.02 0.00 -0.80 0.00 0.00 55.06 53.37 1ur8 s HIS 404 Cb -0.17 -0.25 0.62 0.00 -1.43 0.00 0.00 32.58 31.36 1ur8 s HIS 404 CO -0.08 -0.44 1.61 1.25 -2.00 0.00 0.00 174.74 175.07 1ur8 h LEU 405 N 3.03 -0.37 0.00 5.38 6.46 -1.19 -0.33 115.31 128.28 1ur8 h LEU 405 Ca -0.34 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1ur8 h LEU 405 Cb 1.17 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 1ur8 h LEU 405 CO 0.61 -0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.78 1ur8 n GLY 406 N -1.46 -0.27 0.68 3.75 0.00 -1.26 -1.87 105.19 104.75 1ur8 n GLY 406 Ca 0.19 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1ur8 n GLY 406 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ur8 n GLN 407 N -1.06 1.62 -1.48 1.61 6.02 -0.13 -4.73 117.38 119.23 1ur8 n GLN 407 Ca 0.05 -1.46 -0.30 0.00 -0.01 0.00 0.00 57.00 55.28 1ur8 n GLN 407 Cb 0.03 -1.36 0.11 0.00 1.02 0.00 0.00 30.24 30.04 1ur8 n GLN 407 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ur8 s ASP 408 N -1.70 4.10 0.80 1.08 -1.08 -0.78 -1.75 116.67 117.34 1ur8 s ASP 408 Ca 0.20 1.27 -0.12 0.00 -0.52 0.00 0.00 52.55 53.39 1ur8 s ASP 408 Cb 0.16 -1.97 0.07 0.00 -1.46 0.00 0.00 42.92 39.72 1ur8 s ASP 408 CO 0.29 -2.21 1.14 0.54 0.52 0.00 0.00 175.17 175.45 1ur8 s ASN 409 N -3.83 4.54 0.44 -0.34 2.20 -1.26 -4.41 114.94 112.28 1ur8 s ASN 409 Ca 0.62 0.96 0.18 0.00 -0.94 0.00 0.00 52.86 53.68 1ur8 s ASN 409 Cb -0.15 -1.57 1.11 0.00 -2.00 0.00 0.00 41.25 38.64 1ur8 s ASN 409 CO 0.55 -1.90 1.91 0.03 -2.94 0.00 0.00 177.10 174.75 1ur8 h ARG 410 N -1.05 0.34 0.00 3.55 2.47 -1.96 0.34 114.38 118.07 1ur8 h ARG 410 Ca -0.47 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1ur8 h ARG 410 Cb 1.30 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1ur8 h ARG 410 CO 0.64 0.23 0.00 0.09 0.56 0.00 0.00 179.97 181.49 1ur8 n ASN 411 N -4.46 0.00 -2.94 7.04 3.02 -1.26 -4.90 115.26 111.75 1ur8 n ASN 411 Ca 0.15 -0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.32 1ur8 n ASN 411 Cb 0.59 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1ur8 n ASN 411 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ur8 n GLY 412 N 0.80 -0.40 0.33 7.41 0.00 0.12 -4.93 105.19 108.52 1ur8 n GLY 412 Ca 0.13 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 1ur8 n GLY 412 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ur8 h ASP 413 N -1.69 1.01 -0.30 1.61 3.32 -1.91 -0.83 116.42 117.62 1ur8 h ASP 413 Ca -0.49 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.35 1ur8 h ASP 413 Cb 1.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1ur8 h ASP 413 CO 0.51 0.90 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.86 1ur8 h LEU 414 N 1.06 0.52 -0.57 1.55 3.38 -1.92 -0.76 115.31 118.58 1ur8 h LEU 414 Ca 0.24 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ur8 h LEU 414 Cb 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1ur8 h LEU 414 CO -0.02 0.71 0.27 0.25 0.09 0.00 0.00 178.44 179.73 1ur8 h LEU 415 N 0.32 0.75 -0.76 1.67 5.85 -1.95 -2.07 115.31 119.13 1ur8 h LEU 415 Ca 0.08 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1ur8 h LEU 415 Cb 0.44 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1ur8 h LEU 415 CO 0.02 0.68 0.41 0.00 -0.34 0.00 0.00 178.44 179.20 1ur8 h ALA 416 N 1.10 0.98 0.00 1.25 0.00 -0.97 -1.92 119.26 119.70 1ur8 h ALA 416 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ur8 h ALA 416 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ur8 h ALA 416 CO -0.02 0.50 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1ur8 h ALA 417 N 1.21 -0.03 -0.30 0.00 0.00 -0.84 0.64 119.26 119.93 1ur8 h ALA 417 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ur8 h ALA 417 Cb 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1ur8 h ALA 417 CO -0.04 -0.53 -0.03 -0.07 0.00 0.00 0.00 179.25 178.58 1ur8 h LEU 418 N -0.06 -0.18 -0.76 0.00 3.38 -1.16 -0.32 115.31 116.21 1ur8 h LEU 418 Ca 0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1ur8 h LEU 418 Cb 0.08 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ur8 h LEU 418 CO -0.04 -0.05 0.28 -0.78 0.09 0.00 0.00 178.44 177.94 1ur8 h ASP 419 N 0.06 1.07 -0.45 -0.43 3.58 -1.08 -2.88 116.42 116.29 1ur8 h ASP 419 Ca 0.15 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.42 1ur8 h ASP 419 Cb 0.21 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1ur8 h ASP 419 CO -0.27 0.97 0.29 -0.09 -2.88 0.00 0.00 179.24 177.26 1ur8 h ARG 420 N 1.11 0.57 0.00 0.28 2.43 -0.30 0.14 114.38 118.61 1ur8 h ARG 420 Ca 0.25 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1ur8 h ARG 420 Cb 0.25 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ur8 h ARG 420 CO -0.02 0.38 -0.13 1.88 -1.51 0.00 0.00 179.97 180.57 1ur8 h TYR 421 N 0.59 0.00 0.02 2.20 0.05 -0.86 -1.17 116.97 117.80 1ur8 h TYR 421 Ca 0.17 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.58 1ur8 h TYR 421 Cb -0.05 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.63 1ur8 h TYR 421 CO -0.05 0.13 -2.23 1.19 -1.05 0.00 0.00 178.16 176.15 1ur8 n PHE 422 N -3.55 0.40 0.01 4.88 3.72 -1.09 -4.81 117.46 117.01 1ur8 n PHE 422 Ca -0.01 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1ur8 n PHE 422 Cb 0.27 -1.06 -0.00 0.00 -0.94 0.00 0.00 39.48 37.74 1ur8 n PHE 422 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ur8 n ASN 423 N -3.10 3.32 -4.70 4.37 3.02 0.47 -4.97 115.26 113.68 1ur8 n ASN 423 Ca -0.34 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.62 1ur8 n ASN 423 Cb 1.07 1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 41.23 1ur8 n ASN 423 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ur8 s ALA 424 N -1.74 3.61 0.48 5.41 0.00 -0.46 -4.89 121.76 124.17 1ur8 s ALA 424 Ca -0.00 1.06 0.21 0.00 0.00 0.00 0.00 51.96 53.23 1ur8 s ALA 424 Cb 0.00 -3.59 1.34 0.00 0.00 0.00 0.00 23.12 20.87 1ur8 s ALA 424 CO 0.03 -0.82 2.09 0.00 0.00 0.00 0.00 175.76 177.06 1ur8 h ALA 425 N 7.46 1.59 -0.64 0.00 0.00 -1.96 -2.86 119.26 122.86 1ur8 h ALA 425 Ca -0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ur8 h ALA 425 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ur8 h ALA 425 CO 0.89 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.87 1ur8 n ASP 426 N -4.07 5.08 -4.49 0.00 5.68 -1.26 -4.85 116.55 112.63 1ur8 n ASP 426 Ca -0.02 -2.58 -0.34 0.00 -0.50 0.00 0.00 54.79 51.34 1ur8 n ASP 426 Cb 0.19 -0.61 -0.12 0.00 -1.14 0.00 0.00 41.12 39.43 1ur8 n ASP 426 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ur8 s TYR 427 N -2.10 3.03 -0.23 2.11 5.04 -1.08 -5.08 117.35 119.04 1ur8 s TYR 427 Ca 0.53 -0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1ur8 s TYR 427 Cb 0.36 -1.99 0.07 0.00 0.35 0.00 0.00 41.96 40.74 1ur8 s TYR 427 CO 0.23 -0.09 0.04 0.34 -1.34 0.00 0.00 175.55 174.72 1ur8 s ASP 428 N 0.53 3.38 -0.22 4.32 2.15 -1.26 -4.91 116.67 120.67 1ur8 s ASP 428 Ca -0.02 -1.10 0.15 0.00 0.43 0.00 0.00 52.55 52.00 1ur8 s ASP 428 Cb -0.14 -0.77 0.79 0.00 -0.30 0.00 0.00 42.92 42.50 1ur8 s ASP 428 CO 0.02 -0.32 1.72 -0.90 -0.17 0.00 0.00 175.17 175.52 1ur8 n ASP 429 N 4.93 5.51 0.05 -0.34 5.68 -1.26 -4.58 116.55 126.54 1ur8 n ASP 429 Ca -0.08 -2.89 0.08 0.00 -0.50 0.00 0.00 54.79 51.40 1ur8 n ASP 429 Cb 0.45 -0.66 0.52 0.00 -1.14 0.00 0.00 41.12 40.29 1ur8 n ASP 429 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ur8 h SER 430 N 3.84 0.29 -0.16 -1.12 4.64 -2.03 -1.10 113.55 117.91 1ur8 h SER 430 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ur8 h SER 430 Cb 1.89 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1ur8 h SER 430 CO 0.44 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.60 1ur8 n GLN 431 N -4.49 2.09 -1.92 4.77 6.02 -1.26 -4.94 117.38 117.65 1ur8 n GLN 431 Ca 0.03 -1.62 -0.42 0.00 -0.01 0.00 0.00 57.00 54.99 1ur8 n GLN 431 Cb 0.17 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 1ur8 n GLN 431 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ur8 s LEU 432 N -1.74 4.36 -0.29 1.08 2.96 -0.42 -4.95 118.68 119.69 1ur8 s LEU 432 Ca 0.34 2.49 -0.18 0.00 -0.22 0.00 0.00 54.13 56.55 1ur8 s LEU 432 Cb 0.20 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 1ur8 s LEU 432 CO 0.30 -0.89 0.54 -0.62 -1.32 0.00 0.00 176.35 174.36 1ur8 s ASP 433 N 2.43 6.42 0.00 3.68 2.15 -1.26 -4.93 116.67 125.16 1ur8 s ASP 433 Ca 0.74 0.41 0.16 0.00 0.43 0.00 0.00 52.55 54.29 1ur8 s ASP 433 Cb -0.40 -2.29 0.73 0.00 -0.30 0.00 0.00 42.92 40.67 1ur8 s ASP 433 CO 0.32 -0.36 1.51 0.23 -0.17 0.00 0.00 175.17 176.70 1ur8 n MET 434 N 5.65 0.06 0.00 4.34 2.81 -1.26 -4.99 117.12 123.73 1ur8 n MET 434 Ca -0.04 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1ur8 n MET 434 Cb 0.49 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1ur8 n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ur8 n GLY 435 N 0.16 -2.02 0.34 3.03 0.00 -1.26 -4.59 105.19 100.85 1ur8 n GLY 435 Ca 0.05 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1ur8 n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ur8 n THR 436 N 0.00 2.03 -0.96 2.61 -2.24 -1.26 -5.04 114.28 109.42 1ur8 n THR 436 Ca 0.00 -2.20 -0.32 0.00 -2.27 0.00 0.00 64.05 59.25 1ur8 n THR 436 Cb 0.00 -0.25 0.14 0.00 -2.10 0.00 0.00 70.33 68.12 1ur8 n THR 436 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ur8 s GLY 437 N -2.62 1.93 0.21 3.38 0.00 -1.25 -4.89 107.32 104.07 1ur8 s GLY 437 Ca 0.35 0.70 -0.31 0.00 0.00 0.00 0.00 44.72 45.46 1ur8 s GLY 437 CO 0.04 1.11 1.54 1.08 0.00 0.00 0.00 173.10 176.87 1ur8 s LEU 438 N -6.09 4.37 -0.01 0.66 1.43 0.21 -4.59 118.68 114.66 1ur8 s LEU 438 Ca 0.70 2.68 -0.07 0.00 -1.03 0.00 0.00 54.13 56.41 1ur8 s LEU 438 Cb -0.25 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.31 1ur8 s LEU 438 CO 0.54 -0.80 0.25 -0.13 0.23 0.00 0.00 176.35 176.44 1ur8 s ARG 439 N 0.46 3.56 -0.14 1.70 3.00 -1.26 -0.80 118.95 125.48 1ur8 s ARG 439 Ca 0.66 -0.08 -0.29 0.00 0.00 0.00 0.00 55.73 56.01 1ur8 s ARG 439 Cb -0.44 -3.10 -0.01 0.00 0.00 0.00 0.00 34.95 31.40 1ur8 s ARG 439 CO 0.37 0.67 1.15 -0.47 0.00 0.00 0.00 175.30 177.02 1ur8 s TYR 440 N -1.26 3.17 -1.07 -0.53 5.04 -1.26 -4.92 117.35 116.53 1ur8 s TYR 440 Ca 0.26 1.28 0.17 0.00 -2.44 0.00 0.00 57.07 56.33 1ur8 s TYR 440 Cb -0.13 -3.37 0.58 0.00 0.35 0.00 0.00 41.96 39.39 1ur8 s TYR 440 CO 0.15 -1.04 1.50 0.25 -1.34 0.00 0.00 175.55 175.06 1ur8 n THR 441 N 5.03 1.57 -1.85 4.34 -2.24 -1.26 -4.98 114.28 114.89 1ur8 n THR 441 Ca 0.12 -1.22 -0.37 0.00 -2.27 0.00 0.00 64.05 60.31 1ur8 n THR 441 Cb 0.46 0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1ur8 n THR 441 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ur8 s GLY 442 N -1.09 2.85 -0.05 3.38 0.00 -1.26 -4.98 107.32 106.16 1ur8 s GLY 442 Ca 0.43 1.21 0.05 0.00 0.00 0.00 0.00 44.72 46.41 1ur8 s GLY 442 CO 0.22 1.68 -0.20 0.14 0.00 0.00 0.00 173.10 174.93 1ur8 s VAL 443 N -1.40 1.69 0.19 1.40 1.01 -0.66 -4.93 120.40 117.70 1ur8 s VAL 443 Ca 0.75 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1ur8 s VAL 443 Cb -0.37 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1ur8 s VAL 443 CO 0.42 0.48 0.16 0.61 0.00 0.00 0.00 175.10 176.77 1ur8 n GLY 444 N 3.08 3.40 0.37 4.51 0.00 -1.26 -3.51 105.19 111.78 1ur8 n GLY 444 Ca -0.18 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.17 1ur8 n GLY 444 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ur8 h PRO 445 N 0.00 0.47 -0.00 1.61 0.11 -1.86 -2.61 132.00 129.72 1ur8 h PRO 445 Ca -0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ur8 h PRO 445 Cb 0.69 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1ur8 h PRO 445 CO 0.20 0.31 -0.21 0.41 -0.21 0.00 0.00 178.00 178.49 1ur8 n GLY 446 N -1.50 -1.27 2.12 -0.55 0.00 0.31 -4.26 105.19 100.02 1ur8 n GLY 446 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1ur8 n GLY 446 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ur8 n ASN 447 N -1.37 1.78 -4.77 1.61 2.04 -0.99 -4.70 115.26 108.86 1ur8 n ASN 447 Ca 0.08 -2.37 -0.40 0.00 -0.44 0.00 0.00 54.58 51.45 1ur8 n ASN 447 Cb 0.32 -0.41 -0.01 0.00 -2.53 0.00 0.00 39.78 37.16 1ur8 n ASN 447 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1ur8 s LEU 448 N -2.47 4.25 0.38 -4.53 1.43 -1.18 -4.70 118.68 111.86 1ur8 s LEU 448 Ca 0.33 2.68 -0.26 0.00 -1.03 0.00 0.00 54.13 55.86 1ur8 s LEU 448 Cb 0.36 -3.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1ur8 s LEU 448 CO -0.08 -0.81 1.13 -2.84 0.23 0.00 0.00 176.35 173.99 1ur8 s PRO 449 N -2.17 4.18 0.17 1.29 0.02 -1.26 -4.56 135.00 132.67 1ur8 s PRO 449 Ca 0.55 1.75 -0.31 0.00 0.02 0.00 0.00 61.00 63.02 1ur8 s PRO 449 Cb -0.39 -2.72 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 1ur8 s PRO 449 CO 0.50 -0.19 1.42 0.96 -0.33 0.00 0.00 177.00 179.37 1ur8 s ILE 450 N -1.44 3.01 0.14 2.83 -0.00 -1.26 -0.93 121.20 123.55 1ur8 s ILE 450 Ca 0.55 0.77 -0.06 0.00 -0.00 0.00 0.00 60.65 61.91 1ur8 s ILE 450 Cb -0.29 -3.49 -0.02 0.00 -0.00 0.00 0.00 42.46 38.66 1ur8 s ILE 450 CO 0.36 0.08 0.19 -0.04 -0.00 0.00 0.00 174.94 175.53 1ur8 s MET 451 N 0.55 1.01 0.03 0.37 -1.94 -0.47 -4.82 119.30 114.04 1ur8 s MET 451 Ca 0.63 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1ur8 s MET 451 Cb -0.39 0.32 -0.02 0.00 2.01 0.00 0.00 34.83 36.75 1ur8 s MET 451 CO 0.35 -0.34 -0.12 0.95 -0.01 0.00 0.00 175.02 175.85 1ur8 s THR 452 N -3.97 0.98 0.01 2.05 -4.23 -1.26 0.20 115.64 109.41 1ur8 s THR 452 Ca 0.17 -0.90 -0.28 0.00 -1.18 0.00 0.00 61.69 59.50 1ur8 s THR 452 Cb 0.05 -0.89 0.09 0.00 1.34 0.00 0.00 72.50 73.09 1ur8 s THR 452 CO -0.02 -0.01 0.77 0.00 -0.54 0.00 0.00 174.62 174.83 1ur8 s ALA 453 N -0.80 -1.76 0.59 3.99 0.00 -1.26 -5.00 121.76 117.52 1ur8 s ALA 453 Ca 0.01 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 1ur8 s ALA 453 Cb -0.07 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1ur8 s ALA 453 CO 0.01 -0.58 1.17 -2.30 0.00 0.00 0.00 175.76 174.06 1ur8 n PRO 454 N 0.14 1.22 -2.10 0.00 -0.02 -1.26 -3.86 135.00 129.11 1ur8 n PRO 454 Ca -0.14 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1ur8 n PRO 454 Cb 0.61 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 1ur8 n PRO 454 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ur8 s ALA 455 N -1.40 3.25 0.34 3.55 0.00 -1.26 -0.34 121.76 125.90 1ur8 s ALA 455 Ca 0.76 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.61 1ur8 s ALA 455 Cb -0.42 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.12 1ur8 s ALA 455 CO 0.46 -0.76 1.50 0.98 0.00 0.00 0.00 175.76 177.95 1ur8 n TYR 456 N 0.16 2.82 -3.96 0.00 9.36 -0.22 -4.75 117.16 120.58 1ur8 n TYR 456 Ca 0.04 0.39 -0.34 0.00 3.32 0.00 0.00 57.90 61.31 1ur8 n TYR 456 Cb 0.44 -2.54 -0.14 0.00 -0.63 0.00 0.00 39.34 36.47 1ur8 n TYR 456 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1ur8 s VAL 457 N -0.67 2.66 0.17 2.97 1.01 -1.26 -5.03 120.40 120.25 1ur8 s VAL 457 Ca 0.58 -1.72 -0.34 0.00 0.00 0.00 0.00 61.98 60.51 1ur8 s VAL 457 Cb -0.50 -2.65 -0.14 0.00 0.00 0.00 0.00 36.38 33.08 1ur8 s VAL 457 CO 0.58 -0.25 1.44 -2.65 0.00 0.00 0.00 175.10 174.22 1ur8 n PRO 458 N 4.50 1.81 0.00 2.72 -0.02 -1.26 -1.13 135.00 141.62 1ur8 n PRO 458 Ca -0.09 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1ur8 n PRO 458 Cb 0.42 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ur8 n PRO 458 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ur8 n GLY 459 N 2.73 0.70 3.84 -1.23 0.00 -1.26 -5.07 105.19 104.90 1ur8 n GLY 459 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1ur8 n GLY 459 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ur8 s THR 460 N -2.18 4.73 -0.19 2.61 2.01 -0.28 -5.07 115.64 117.26 1ur8 s THR 460 Ca 0.00 0.95 -0.06 0.00 0.31 0.00 0.00 61.69 62.89 1ur8 s THR 460 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1ur8 s THR 460 CO 0.00 0.07 0.04 -0.89 -0.69 0.00 0.00 174.62 173.15 1ur8 s THR 461 N -1.68 4.43 -0.04 -0.82 2.01 -1.26 -4.61 115.64 113.67 1ur8 s THR 461 Ca 0.45 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1ur8 s THR 461 Cb -0.14 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1ur8 s THR 461 CO 0.20 0.44 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.17 1ur8 s TYR 462 N 0.66 2.88 0.90 4.92 2.02 -0.16 -4.91 117.35 123.65 1ur8 s TYR 462 Ca 0.02 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.55 1ur8 s TYR 462 Cb -0.14 -1.66 0.14 0.00 -0.40 0.00 0.00 41.96 39.91 1ur8 s TYR 462 CO 0.02 0.32 1.24 0.00 -1.57 0.00 0.00 175.55 175.56 1ur8 s ALA 463 N -0.85 2.34 0.21 3.71 0.00 -1.26 -1.02 121.76 124.88 1ur8 s ALA 463 Ca 0.14 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1ur8 s ALA 463 Cb -0.11 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 1ur8 s ALA 463 CO 0.03 -2.12 1.38 -1.14 0.00 0.00 0.00 175.76 173.91 1ur8 s GLN 464 N -5.70 4.33 0.00 0.00 0.74 -1.25 -2.79 119.66 114.99 1ur8 s GLN 464 Ca 0.68 2.17 0.00 0.00 0.05 0.00 0.00 55.36 58.26 1ur8 s GLN 464 Cb -0.08 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.87 1ur8 s GLN 464 CO 0.51 -0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.31 1ur8 n GLY 465 N 2.49 0.97 3.75 2.59 0.00 -0.83 -4.95 105.19 109.21 1ur8 n GLY 465 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1ur8 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ur8 s ALA 466 N -2.37 2.62 -0.06 4.61 0.00 -1.12 -4.67 121.76 120.77 1ur8 s ALA 466 Ca 0.00 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1ur8 s ALA 466 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1ur8 s ALA 466 CO 0.00 -1.33 -0.25 -0.51 0.00 0.00 0.00 175.76 173.68 1ur8 s LEU 467 N -3.89 2.06 0.04 0.00 1.43 -1.26 -2.01 118.68 115.06 1ur8 s LEU 467 Ca 0.76 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1ur8 s LEU 467 Cb -0.36 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1ur8 s LEU 467 CO 0.40 0.23 0.04 0.68 0.23 0.00 0.00 176.35 177.93 1ur8 s VAL 468 N -0.09 0.16 -0.09 -1.59 -7.23 -0.56 -4.34 120.40 106.65 1ur8 s VAL 468 Ca -0.06 -1.33 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1ur8 s VAL 468 Cb -0.14 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1ur8 s VAL 468 CO 0.04 -0.73 0.06 -0.94 -0.31 0.00 0.00 175.10 173.22 1ur8 s SER 469 N -2.39 5.68 -0.28 4.85 1.04 0.53 -0.08 113.70 123.06 1ur8 s SER 469 Ca -0.01 0.27 -0.20 0.00 0.48 0.00 0.00 55.95 56.48 1ur8 s SER 469 Cb 0.01 -1.70 0.08 0.00 0.10 0.00 0.00 66.02 64.51 1ur8 s SER 469 CO -0.07 0.39 0.70 -0.31 0.98 0.00 0.00 173.24 174.93 1ur8 s TYR 470 N -0.95 -0.94 -1.57 5.02 4.12 0.75 -1.05 117.35 122.73 1ur8 s TYR 470 Ca 0.14 2.04 -0.14 0.00 0.02 0.00 0.00 57.07 59.14 1ur8 s TYR 470 Cb -0.12 0.47 0.10 0.00 -1.52 0.00 0.00 41.96 40.89 1ur8 s TYR 470 CO 0.03 -0.46 0.87 0.00 0.02 0.00 0.00 175.55 176.02 1ur8 n GLN 471 N 3.55 -4.62 -1.05 -0.62 10.64 -1.26 -1.21 117.38 122.82 1ur8 n GLN 471 Ca -0.17 0.52 -0.02 0.00 -1.83 0.00 0.00 57.00 55.50 1ur8 n GLN 471 Cb 0.57 -5.29 -0.01 0.00 -0.86 0.00 0.00 30.24 24.65 1ur8 n GLN 471 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ur8 n GLY 472 N -1.61 0.44 3.34 2.61 0.00 -1.26 -5.01 105.19 103.70 1ur8 n GLY 472 Ca 0.01 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1ur8 n GLY 472 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ur8 s TYR 473 N -1.73 1.64 -0.17 1.61 2.02 -0.35 -1.11 117.35 119.27 1ur8 s TYR 473 Ca 0.00 -0.66 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1ur8 s TYR 473 Cb 0.00 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1ur8 s TYR 473 CO 0.00 0.26 0.00 0.08 -1.57 0.00 0.00 175.55 174.32 1ur8 s VAL 474 N -3.09 4.21 0.15 0.71 1.01 -0.50 -0.18 120.40 122.72 1ur8 s VAL 474 Ca 0.23 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.07 1ur8 s VAL 474 Cb 0.01 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1ur8 s VAL 474 CO 0.06 0.48 -0.24 0.26 0.00 0.00 0.00 175.10 175.66 1ur8 s TRP 475 N 0.40 2.16 -0.03 5.22 0.52 0.88 -0.10 118.94 127.98 1ur8 s TRP 475 Ca -0.01 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.76 1ur8 s TRP 475 Cb -0.14 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.05 1ur8 s TRP 475 CO 0.02 0.37 -0.17 -1.14 0.02 0.00 0.00 176.95 176.05 1ur8 s GLN 476 N -2.31 1.61 0.20 4.98 0.74 0.82 -1.50 119.66 124.20 1ur8 s GLN 476 Ca 0.15 -0.61 -0.30 0.00 0.05 0.00 0.00 55.36 54.66 1ur8 s GLN 476 Cb -0.09 -1.46 -0.08 0.00 1.10 0.00 0.00 33.01 32.48 1ur8 s GLN 476 CO 0.07 0.29 1.06 0.95 -0.55 0.00 0.00 175.29 177.11 1ur8 s THR 477 N -0.14 3.88 -0.34 -0.34 -4.23 -0.85 0.59 115.64 114.21 1ur8 s THR 477 Ca 0.01 1.71 0.23 0.00 -1.18 0.00 0.00 61.69 62.46 1ur8 s THR 477 Cb -0.09 -4.09 0.18 0.00 1.34 0.00 0.00 72.50 69.83 1ur8 s THR 477 CO 0.01 0.34 1.35 0.11 -0.54 0.00 0.00 174.62 175.89 1ur8 h LYS 478 N 4.71 0.00 -3.73 3.99 1.57 0.99 -2.20 116.57 121.90 1ur8 h LYS 478 Ca -0.45 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.14 1ur8 h LYS 478 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1ur8 h LYS 478 CO 0.70 0.00 -0.03 1.67 -0.57 0.00 0.00 179.45 181.23 1ur8 s TRP 479 N -3.28 0.74 0.62 -1.35 -2.14 -1.26 -4.88 118.94 107.39 1ur8 s TRP 479 Ca 0.04 -1.12 -0.01 0.00 2.66 0.00 0.00 56.10 57.66 1ur8 s TRP 479 Cb 0.07 0.24 0.06 0.00 -3.10 0.00 0.00 33.47 30.74 1ur8 s TRP 479 CO 0.73 -1.29 0.88 0.20 -2.66 0.00 0.00 176.95 174.80 1ur8 s GLY 480 N -3.18 1.78 -1.23 3.67 0.00 -1.26 -3.76 107.32 103.34 1ur8 s GLY 480 Ca 0.25 -1.33 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 1ur8 s GLY 480 CO 0.17 -0.96 1.07 -1.72 0.00 0.00 0.00 173.10 171.67 1ur8 n TYR 481 N -2.58 -2.61 -2.51 1.90 4.02 -0.91 -4.87 117.16 109.59 1ur8 n TYR 481 Ca 0.10 0.92 -0.42 0.00 -0.01 0.00 0.00 57.90 58.48 1ur8 n TYR 481 Cb 0.60 -4.65 -0.03 0.00 -0.02 0.00 0.00 39.34 35.24 1ur8 n TYR 481 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ur8 s ILE 482 N -3.29 4.34 0.00 -0.72 -1.09 -0.19 -4.82 121.20 115.43 1ur8 s ILE 482 Ca 0.53 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.61 1ur8 s ILE 482 Cb -0.23 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1ur8 s ILE 482 CO 0.66 0.04 0.61 0.35 -1.23 0.00 0.00 174.94 175.36 1ur8 n THR 483 N 4.39 0.22 -4.26 2.92 -2.24 -1.26 -0.99 114.28 113.06 1ur8 n THR 483 Ca 0.10 -0.61 -0.24 0.00 -2.27 0.00 0.00 64.05 61.03 1ur8 n THR 483 Cb 0.47 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.52 1ur8 n THR 483 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ur8 s SER 484 N -0.22 4.32 0.52 3.42 0.01 -1.26 -4.81 113.70 115.68 1ur8 s SER 484 Ca 0.00 -0.99 -0.11 0.00 1.31 0.00 0.00 55.95 56.16 1ur8 s SER 484 Cb 0.00 -0.55 -0.06 0.00 0.21 0.00 0.00 66.02 65.62 1ur8 s SER 484 CO 0.00 -0.33 0.91 0.00 0.41 0.00 0.00 173.24 174.23 1ur8 s ALA 485 N -2.53 3.20 0.47 1.44 0.00 -1.26 -4.83 121.76 118.26 1ur8 s ALA 485 Ca 0.37 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1ur8 s ALA 485 Cb 0.01 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 1ur8 s ALA 485 CO 0.21 -0.35 1.41 -2.30 0.00 0.00 0.00 175.76 174.73 1ur8 n PRO 486 N -2.01 2.12 0.00 0.00 -0.02 -1.26 -1.71 135.00 132.13 1ur8 n PRO 486 Ca 0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ur8 n PRO 486 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1ur8 n PRO 486 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ur8 n GLY 487 N 0.62 3.13 0.08 -1.23 0.00 -1.26 -4.68 105.19 101.85 1ur8 n GLY 487 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1ur8 n GLY 487 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ur8 n SER 488 N 0.02 0.70 -3.70 1.61 7.64 -0.69 -4.92 113.62 114.28 1ur8 n SER 488 Ca 0.00 -0.85 -0.24 0.00 1.01 0.00 0.00 58.87 58.79 1ur8 n SER 488 Cb 0.00 0.59 -0.17 0.00 -1.01 0.00 0.00 64.21 63.61 1ur8 n SER 488 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ur8 s ASP 489 N -0.99 1.93 0.00 6.43 3.68 -0.80 -4.85 116.67 122.06 1ur8 s ASP 489 Ca 0.03 -0.32 0.00 0.00 2.13 0.00 0.00 52.55 54.39 1ur8 s ASP 489 Cb 0.04 -0.34 0.00 0.00 -1.45 0.00 0.00 42.92 41.16 1ur8 s ASP 489 CO 0.13 -0.27 0.36 -1.54 0.13 0.00 0.00 175.17 173.98 1ur8 n SER 490 N 5.20 0.12 -0.03 -0.34 3.41 -1.26 -2.37 113.62 118.36 1ur8 n SER 490 Ca -0.06 -0.85 0.13 0.00 -0.26 0.00 0.00 58.87 57.83 1ur8 n SER 490 Cb 0.49 -0.06 0.43 0.00 -0.26 0.00 0.00 64.21 64.81 1ur8 n SER 490 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ur8 n ALA 491 N -0.27 3.01 -2.76 7.33 0.00 -1.26 -4.85 120.51 121.71 1ur8 n ALA 491 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1ur8 n ALA 491 Cb 0.03 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 1ur8 n ALA 491 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ur8 s TRP 492 N -2.90 3.46 -0.18 0.00 0.52 -1.00 0.15 118.94 119.00 1ur8 s TRP 492 Ca 0.15 0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.68 1ur8 s TRP 492 Cb 0.18 -2.14 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1ur8 s TRP 492 CO 0.60 0.38 -0.11 -1.17 0.02 0.00 0.00 176.95 176.67 1ur8 s LEU 493 N 0.06 2.64 -0.10 2.99 2.96 0.20 -4.85 118.68 122.57 1ur8 s LEU 493 Ca 0.11 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.29 1ur8 s LEU 493 Cb -0.12 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1ur8 s LEU 493 CO 0.00 0.05 1.61 -0.75 -1.32 0.00 0.00 176.35 175.95 1ur8 s LYS 494 N 1.01 4.10 0.00 1.98 2.20 -1.26 -0.13 119.74 127.65 1ur8 s LYS 494 Ca -0.01 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1ur8 s LYS 494 Cb -0.15 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 1ur8 s LYS 494 CO -0.02 -0.93 0.00 1.33 -0.36 0.00 0.00 175.35 175.37 1ur8 n VAL 495 N 5.67 0.00 -3.97 4.02 0.24 0.85 -4.93 118.33 120.21 1ur8 n VAL 495 Ca 0.17 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1ur8 n VAL 495 Cb 0.43 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 1ur8 n VAL 495 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ur8 s GLY 496 N -1.05 0.95 0.18 7.63 0.00 -0.85 -4.30 107.32 109.88 1ur8 s GLY 496 Ca 0.00 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.62 1ur8 s GLY 496 CO 0.00 -0.68 -0.07 1.09 0.00 0.00 0.00 173.10 173.44 1ur8 s ARG 497 N -2.85 1.16 0.00 2.90 1.70 -0.11 -1.41 118.95 120.34 1ur8 s ARG 497 Ca 0.24 -1.53 0.00 0.00 -0.47 0.00 0.00 55.73 53.96 1ur8 s ARG 497 Cb -0.02 -0.65 0.00 0.00 -0.57 0.00 0.00 34.95 33.70 1ur8 s ARG 497 CO 0.16 0.03 0.00 0.28 -1.08 0.00 0.00 175.30 174.69 1ur8 n VAL 498 N -0.28 0.00 0.00 4.99 0.31 -0.27 -1.37 118.33 121.72 1ur8 n VAL 498 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1ur8 n VAL 498 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1ur8 n VAL 498 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51