#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ru3 s ASN 6 N 0.00 6.68 0.43 9.51 4.22 -1.26 -4.88 114.94 129.65 1ru3 s ASN 6 Ca 0.00 -2.58 0.14 0.00 -2.14 0.00 0.00 52.86 48.29 1ru3 s ASN 6 Cb 0.00 -2.21 1.04 0.00 1.28 0.00 0.00 41.25 41.36 1ru3 s ASN 6 CO 0.00 -0.61 1.97 0.15 -2.04 0.00 0.00 177.10 176.57 1ru3 h PHE 7 N 7.92 0.43 0.00 1.54 3.57 -2.01 -2.47 116.94 125.92 1ru3 h PHE 7 Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1ru3 h PHE 7 Cb 1.05 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1ru3 h PHE 7 CO 1.00 0.20 0.00 -0.25 -2.23 0.00 0.00 178.31 177.03 1ru3 n ASP 8 N -4.47 0.55 0.02 0.41 8.00 -1.26 -1.86 116.55 117.94 1ru3 n ASP 8 Ca 0.11 0.74 0.21 0.00 0.71 0.00 0.00 54.79 56.56 1ru3 n ASP 8 Cb 0.40 -0.82 0.72 0.00 -0.02 0.00 0.00 41.12 41.40 1ru3 n ASP 8 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1ru3 h GLN 9 N 0.00 0.00 0.00 -1.24 4.15 -1.87 0.87 115.11 117.02 1ru3 h GLN 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ru3 h GLN 9 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1ru3 h GLN 9 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 178.83 177.34 1ru3 n ILE 10 N -4.16 1.33 -0.32 2.39 -5.35 -0.78 -1.46 119.36 111.02 1ru3 n ILE 10 Ca 0.10 0.40 0.12 0.00 -0.27 0.00 0.00 62.75 63.09 1ru3 n ILE 10 Cb 0.63 -1.29 0.32 0.00 -1.74 0.00 0.00 39.64 37.56 1ru3 n ILE 10 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1ru3 n PHE 11 N -1.70 0.97 -2.94 4.28 3.72 0.30 -4.94 117.46 117.15 1ru3 n PHE 11 Ca 0.01 -0.48 -0.37 0.00 -0.05 0.00 0.00 57.45 56.56 1ru3 n PHE 11 Cb 0.10 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 1ru3 n PHE 11 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1ru3 s GLU 12 N -1.03 4.43 -1.21 -1.08 2.02 -0.53 -3.19 118.70 118.11 1ru3 s GLU 12 Ca 0.49 1.11 0.00 0.00 0.02 0.00 0.00 54.97 56.59 1ru3 s GLU 12 Cb 0.26 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1ru3 s GLU 12 CO 0.34 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1ru3 n GLY 13 N 0.69 1.22 0.10 -1.39 0.00 -1.26 -4.91 105.19 99.64 1ru3 n GLY 13 Ca -0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1ru3 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru3 h ALA 14 N 0.02 -0.13 -3.48 4.61 0.00 -1.91 -3.44 119.26 114.93 1ru3 h ALA 14 Ca -0.24 -0.26 -0.36 0.00 0.00 0.00 0.00 54.91 54.05 1ru3 h ALA 14 Cb 0.76 0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.26 1ru3 h ALA 14 CO 0.34 -0.26 -0.75 0.96 0.00 0.00 0.00 179.25 179.54 1ru3 s ILE 15 N -3.59 0.26 0.67 0.00 -4.36 -1.26 -4.49 121.20 108.42 1ru3 s ILE 15 Ca -0.14 0.04 -0.17 0.00 -0.26 0.00 0.00 60.65 60.12 1ru3 s ILE 15 Cb 0.00 -0.34 -0.09 0.00 1.25 0.00 0.00 42.46 43.28 1ru3 s ILE 15 CO 0.57 0.17 0.23 -0.62 0.24 0.00 0.00 174.94 175.52 1ru3 n GLU 16 N 4.16 0.23 -0.33 0.37 4.71 -1.26 -4.68 120.64 123.84 1ru3 n GLU 16 Ca -0.25 0.10 -0.03 0.00 -0.01 0.00 0.00 57.16 56.97 1ru3 n GLU 16 Cb 0.50 -1.51 -0.04 0.00 -1.01 0.00 0.00 31.44 29.38 1ru3 n GLU 16 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1ru3 n PRO 17 N 0.30 0.67 0.00 3.49 -0.04 -1.26 -2.74 135.00 135.41 1ru3 n PRO 17 Ca 0.09 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ru3 n PRO 17 Cb 0.49 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1ru3 n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ru3 n GLY 18 N 2.39 -0.69 0.85 0.55 0.00 -1.26 -4.96 105.19 102.07 1ru3 n GLY 18 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ru3 n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ru3 n LYS 19 N -2.46 0.52 -1.63 1.61 4.81 -1.11 -4.85 118.16 115.06 1ru3 n LYS 19 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1ru3 n LYS 19 Cb 0.00 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 1ru3 n LYS 19 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ru3 n GLU 20 N 0.59 2.37 -1.92 1.64 1.02 -1.26 -4.80 120.64 118.28 1ru3 n GLU 20 Ca 0.00 0.80 -0.24 0.00 -0.02 0.00 0.00 57.16 57.70 1ru3 n GLU 20 Cb 0.22 -3.02 -0.08 0.00 -0.02 0.00 0.00 31.44 28.54 1ru3 n GLU 20 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ru3 s PRO 21 N 5.19 2.09 0.00 3.49 0.04 -1.26 -4.74 135.00 139.81 1ru3 s PRO 21 Ca 0.95 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1ru3 s PRO 21 Cb -0.45 -5.15 0.02 0.00 0.04 0.00 0.00 34.50 28.96 1ru3 s PRO 21 CO 0.41 -4.41 0.94 1.63 0.04 0.00 0.00 177.00 175.62 1ru3 n LYS 22 N 8.30 0.00 0.00 4.56 5.02 -1.24 -2.20 118.16 132.59 1ru3 n LYS 22 Ca 0.44 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1ru3 n LYS 22 Cb 0.47 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1ru3 n LYS 22 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ru3 n ARG 23 N -1.45 0.00 -0.33 1.97 0.00 -0.63 -2.90 116.66 113.33 1ru3 n ARG 23 Ca -0.00 0.38 0.24 0.00 -0.00 0.00 0.00 57.85 58.46 1ru3 n ARG 23 Cb 0.07 -0.99 0.47 0.00 0.00 0.00 0.00 32.46 32.00 1ru3 n ARG 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ru3 h LEU 24 N 0.00 0.30 -1.96 6.15 5.85 -1.24 1.20 115.31 125.61 1ru3 h LEU 24 Ca 0.00 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ru3 h LEU 24 Cb 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ru3 h LEU 24 CO 0.00 -0.25 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.53 1ru3 h PHE 25 N 0.18 0.00 0.17 1.25 -1.00 -1.55 -1.56 116.94 114.43 1ru3 h PHE 25 Ca 0.73 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 61.17 1ru3 h PHE 25 Cb 1.72 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.29 1ru3 h PHE 25 CO -0.09 0.07 -1.70 0.87 -1.61 0.00 0.00 178.31 175.84 1ru3 h LYS 26 N 0.00 0.36 0.76 1.51 1.57 0.16 -2.82 116.57 118.11 1ru3 h LYS 26 Ca -0.00 -0.61 -0.04 0.00 -1.87 0.00 0.00 60.65 58.13 1ru3 h LYS 26 Cb 0.35 0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1ru3 h LYS 26 CO 0.01 1.26 -0.36 1.49 -0.57 0.00 0.00 179.45 181.28 1ru3 h GLU 27 N 0.10 -0.98 -0.98 3.15 4.81 -0.96 -1.64 114.58 118.07 1ru3 h GLU 27 Ca -0.32 0.07 0.17 0.00 -0.13 0.00 0.00 59.36 59.15 1ru3 h GLU 27 Cb 2.08 0.22 -0.17 0.00 0.63 0.00 0.00 28.75 31.51 1ru3 h GLU 27 CO 0.17 -0.65 -0.33 0.28 -0.73 0.00 0.00 179.01 177.75 1ru3 n VAL 28 N -4.77 -0.48 0.03 0.32 0.31 -0.62 -0.08 118.33 113.03 1ru3 n VAL 28 Ca -0.13 2.28 -0.10 0.00 -0.01 0.00 0.00 64.34 66.38 1ru3 n VAL 28 Cb 0.40 -3.07 -0.04 0.00 -0.91 0.00 0.00 33.84 30.21 1ru3 n VAL 28 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ru3 h TYR 29 N 0.00 -0.29 0.15 3.52 3.20 -1.35 0.23 116.97 122.44 1ru3 h TYR 29 Ca 0.39 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 1ru3 h TYR 29 Cb 0.64 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1ru3 h TYR 29 CO -0.82 -0.17 -0.07 1.49 -1.64 0.00 0.00 178.16 176.94 1ru3 h GLU 30 N -0.17 -0.20 0.00 1.82 4.81 0.17 -0.14 114.58 120.88 1ru3 h GLU 30 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1ru3 h GLU 30 Cb 0.25 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ru3 h GLU 30 CO -0.15 -0.08 -0.02 0.78 -0.73 0.00 0.00 179.01 178.80 1ru3 h GLY 31 N -0.26 0.00 1.35 1.92 0.00 -0.27 0.63 103.07 106.43 1ru3 h GLY 31 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.00 1ru3 h GLY 31 CO 0.03 0.00 -1.44 0.00 0.00 0.00 0.00 176.54 175.14 1ru3 h ALA 32 N 1.98 0.06 0.00 3.60 0.00 0.09 -1.91 119.26 123.07 1ru3 h ALA 32 Ca -0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 54.91 53.89 1ru3 h ALA 32 Cb 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ru3 h ALA 32 CO 0.00 0.93 -0.30 0.82 0.00 0.00 0.00 179.25 180.70 1ru3 h ILE 33 N 0.10 1.08 0.10 0.00 1.08 -0.21 -2.61 117.51 117.05 1ru3 h ILE 33 Ca -0.22 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1ru3 h ILE 33 Cb 2.06 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 37.41 1ru3 h ILE 33 CO 0.22 0.29 -0.05 0.74 -0.69 0.00 0.00 178.15 178.66 1ru3 h THR 34 N 0.00 1.08 -0.88 -0.27 2.02 -0.73 -2.37 112.91 111.76 1ru3 h THR 34 Ca -0.00 -1.34 0.14 0.00 0.77 0.00 0.00 66.41 65.98 1ru3 h THR 34 Cb 0.57 1.85 -0.09 0.00 -1.74 0.00 0.00 68.15 68.74 1ru3 h THR 34 CO 0.04 0.29 0.48 0.00 0.37 0.00 0.00 175.52 176.70 1ru3 h ALA 35 N -0.12 1.33 -0.45 6.16 0.00 -1.29 -0.48 119.26 124.42 1ru3 h ALA 35 Ca -0.01 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ru3 h ALA 35 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ru3 h ALA 35 CO 0.02 -0.03 0.04 1.15 0.00 0.00 0.00 179.25 180.43 1ru3 h THR 36 N 0.70 1.25 -0.67 0.00 2.02 -1.52 -0.37 112.91 114.32 1ru3 h THR 36 Ca 0.47 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1ru3 h THR 36 Cb 0.63 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1ru3 h THR 36 CO -0.34 0.34 0.10 0.28 0.37 0.00 0.00 175.52 176.27 1ru3 h SER 37 N 0.62 1.08 0.14 4.18 0.02 -0.82 0.75 113.55 119.52 1ru3 h SER 37 Ca 0.13 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1ru3 h SER 37 Cb 0.44 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ru3 h SER 37 CO 0.02 1.07 -0.08 1.88 -1.14 0.00 0.00 176.83 178.58 1ru3 h TYR 38 N 1.05 -0.20 -0.33 3.45 0.05 -0.76 -0.06 116.97 120.16 1ru3 h TYR 38 Ca 0.20 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.99 1ru3 h TYR 38 Cb 0.46 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 1ru3 h TYR 38 CO 0.03 -0.12 0.20 0.00 -1.05 0.00 0.00 178.16 177.22 1ru3 h ALA 39 N 0.66 0.42 -0.45 3.88 0.00 -0.59 0.50 119.26 123.68 1ru3 h ALA 39 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ru3 h ALA 39 Cb 0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1ru3 h ALA 39 CO 0.02 -0.15 0.09 0.93 0.00 0.00 0.00 179.25 180.14 1ru3 h GLU 40 N 0.41 0.22 -0.19 0.00 5.08 0.12 0.13 114.58 120.35 1ru3 h GLU 40 Ca 0.13 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 1ru3 h GLU 40 Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ru3 h GLU 40 CO -0.05 0.15 -0.53 0.97 -1.00 0.00 0.00 179.01 178.54 1ru3 h ILE 41 N 0.23 1.31 0.00 3.13 6.09 -0.49 -0.44 117.51 127.34 1ru3 h ILE 41 Ca 0.22 -1.76 -0.03 0.00 -1.37 0.00 0.00 64.86 61.91 1ru3 h ILE 41 Cb 0.28 1.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.48 1ru3 h ILE 41 CO -0.29 0.55 -0.16 -0.07 -3.07 0.00 0.00 178.15 175.12 1ru3 h LEU 42 N 0.39 0.00 0.05 2.19 3.38 0.39 -2.41 115.31 119.29 1ru3 h LEU 42 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1ru3 h LEU 42 Cb 1.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ru3 h LEU 42 CO 0.11 0.16 -0.88 0.25 0.09 0.00 0.00 178.44 178.17 1ru3 h LEU 43 N 0.00 0.70 -1.36 1.67 5.85 -0.30 -2.51 115.31 119.35 1ru3 h LEU 43 Ca -0.00 -0.79 0.15 0.00 0.84 0.00 0.00 57.88 58.08 1ru3 h LEU 43 Cb 0.50 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1ru3 h LEU 43 CO 0.02 1.41 0.56 -1.28 -0.34 0.00 0.00 178.44 178.81 1ru3 h SER 44 N 0.07 0.57 0.57 1.25 0.87 -0.84 -0.36 113.55 115.67 1ru3 h SER 44 Ca -0.12 0.04 -0.24 0.00 -1.23 0.00 0.00 61.79 60.23 1ru3 h SER 44 Cb 1.58 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1ru3 h SER 44 CO 0.17 0.28 -1.09 0.03 -0.53 0.00 0.00 176.83 175.69 1ru3 h ARG 45 N 0.60 0.28 -0.58 2.24 3.08 -1.37 -2.22 114.38 116.40 1ru3 h ARG 45 Ca 0.44 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1ru3 h ARG 45 Cb 0.81 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1ru3 h ARG 45 CO -0.19 1.13 0.14 0.00 -1.07 0.00 0.00 179.97 179.98 1ru3 h ALA 46 N 0.71 1.14 -0.22 0.04 0.00 -0.82 -1.77 119.26 118.35 1ru3 h ALA 46 Ca -0.10 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1ru3 h ALA 46 Cb 1.78 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1ru3 h ALA 46 CO 0.18 0.58 -0.52 0.82 0.00 0.00 0.00 179.25 180.31 1ru3 h ILE 47 N 0.87 1.31 -0.58 0.00 2.04 -0.97 0.30 117.51 120.48 1ru3 h ILE 47 Ca 0.19 -1.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.21 1ru3 h ILE 47 Cb 0.32 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1ru3 h ILE 47 CO 0.00 0.55 -0.03 -0.33 0.00 0.00 0.00 178.15 178.34 1ru3 h GLU 48 N 0.48 1.04 0.15 2.37 5.08 -1.24 -0.63 114.58 121.82 1ru3 h GLU 48 Ca 0.02 -0.34 -0.29 0.00 -1.00 0.00 0.00 59.36 57.74 1ru3 h GLU 48 Cb 1.06 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.25 1ru3 h GLU 48 CO 0.10 1.04 -1.28 -0.22 -1.00 0.00 0.00 179.01 177.65 1ru3 h LYS 49 N 0.93 0.47 0.00 2.33 3.64 -1.20 -3.39 116.57 119.35 1ru3 h LYS 49 Ca 0.16 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1ru3 h LYS 49 Cb 0.58 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1ru3 h LYS 49 CO 0.03 1.32 -1.01 0.66 -2.27 0.00 0.00 179.45 178.19 1ru3 n TYR 50 N -3.69 0.00 0.00 1.91 4.02 0.11 -5.09 117.16 114.41 1ru3 n TYR 50 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1ru3 n TYR 50 Cb 1.01 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 1ru3 n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ru3 n GLY 51 N 1.55 1.81 0.29 2.72 0.00 -0.24 -4.53 105.19 106.80 1ru3 n GLY 51 Ca 0.00 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.56 1ru3 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ru3 h PRO 52 N 0.00 0.00 -0.64 1.61 0.13 -1.92 -2.80 132.00 128.38 1ru3 h PRO 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ru3 h PRO 52 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ru3 h PRO 52 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 1ru3 n ASP 53 N -3.06 5.13 -4.75 1.44 8.00 -1.26 -0.37 116.55 121.68 1ru3 n ASP 53 Ca -0.00 -2.61 -0.40 0.00 0.71 0.00 0.00 54.79 52.48 1ru3 n ASP 53 Cb 0.23 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 1ru3 n ASP 53 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1ru3 s HIS 54 N -2.17 3.64 0.63 1.24 2.46 -1.06 -4.80 115.29 115.23 1ru3 s HIS 54 Ca 0.53 1.71 -0.18 0.00 0.47 0.00 0.00 55.06 57.59 1ru3 s HIS 54 Cb 0.36 -3.24 -0.02 0.00 -0.13 0.00 0.00 32.58 29.55 1ru3 s HIS 54 CO 0.22 -0.43 1.21 -1.25 -2.47 0.00 0.00 174.74 172.01 1ru3 s PRO 55 N -1.17 2.75 -0.05 2.88 0.04 -1.26 -1.36 135.00 136.84 1ru3 s PRO 55 Ca 0.45 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 1ru3 s PRO 55 Cb -0.31 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1ru3 s PRO 55 CO 0.38 -1.37 0.41 0.54 0.04 0.00 0.00 177.00 177.00 1ru3 s VAL 56 N -1.72 0.04 -5.00 -0.36 0.11 -0.50 -4.73 120.40 108.23 1ru3 s VAL 56 Ca 0.76 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1ru3 s VAL 56 Cb -0.30 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1ru3 s VAL 56 CO 0.37 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1ru3 n GLY 57 N 1.49 -1.97 3.95 6.54 0.00 -1.26 -4.34 105.19 109.60 1ru3 n GLY 57 Ca -0.20 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 1ru3 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ru3 s TYR 58 N -2.56 3.47 0.34 1.61 2.02 -1.26 -4.75 117.35 116.23 1ru3 s TYR 58 Ca 0.00 0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.69 1ru3 s TYR 58 Cb 0.00 -1.64 -0.06 0.00 -0.40 0.00 0.00 41.96 39.86 1ru3 s TYR 58 CO 0.00 0.49 0.68 -1.25 -1.57 0.00 0.00 175.55 173.90 1ru3 s PRO 59 N -3.47 3.76 -1.34 -1.71 0.04 -1.26 -4.38 135.00 126.65 1ru3 s PRO 59 Ca 0.34 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.65 1ru3 s PRO 59 Cb -0.10 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.96 1ru3 s PRO 59 CO 0.29 0.09 0.99 -3.47 0.04 0.00 0.00 177.00 174.94 1ru3 n ASP 60 N -0.98 -3.72 -3.85 6.66 2.03 -1.26 -4.69 116.55 110.73 1ru3 n ASP 60 Ca 0.01 -0.67 -0.12 0.00 0.52 0.00 0.00 54.79 54.53 1ru3 n ASP 60 Cb 0.54 -4.62 -0.11 0.00 -0.72 0.00 0.00 41.12 36.21 1ru3 n ASP 60 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ru3 s THR 61 N -3.40 0.04 -2.71 5.18 -1.32 -1.26 -0.73 115.64 111.44 1ru3 s THR 61 Ca 0.31 -0.34 0.26 0.00 -1.21 0.00 0.00 61.69 60.71 1ru3 s THR 61 Cb -0.15 -0.33 0.34 0.00 -1.51 0.00 0.00 72.50 70.86 1ru3 s THR 61 CO 0.77 -0.19 1.48 0.00 -2.21 0.00 0.00 174.62 174.47 1ru3 n ALA 62 N 2.24 2.57 -1.32 11.08 0.00 -1.26 -4.52 120.51 129.29 1ru3 n ALA 62 Ca -0.18 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.50 1ru3 n ALA 62 Cb 0.57 -0.98 0.18 0.00 0.00 0.00 0.00 19.45 19.22 1ru3 n ALA 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ru3 n TYR 63 N 0.73 2.50 -0.18 0.00 4.01 -1.26 -5.05 117.16 117.90 1ru3 n TYR 63 Ca 0.16 -1.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.04 1ru3 n TYR 63 Cb 0.48 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 1ru3 n TYR 63 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ru3 n PHE 64 N -1.12 0.00 -3.21 -0.72 3.72 -1.26 -2.39 117.46 112.47 1ru3 n PHE 64 Ca 0.52 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.47 1ru3 n PHE 64 Cb 1.42 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.90 1ru3 n PHE 64 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ru3 s LEU 65 N 0.00 5.49 0.27 4.37 1.43 -1.26 -4.60 118.68 124.39 1ru3 s LEU 65 Ca 0.00 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 51.71 1ru3 s LEU 65 Cb 0.00 -2.30 0.59 0.00 0.03 0.00 0.00 46.19 44.52 1ru3 s LEU 65 CO 0.00 -0.93 1.62 -0.65 0.23 0.00 0.00 176.35 176.62 1ru3 h PRO 66 N 9.01 0.10 -0.80 1.29 0.11 -1.81 0.49 132.00 140.40 1ru3 h PRO 66 Ca -0.29 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ru3 h PRO 66 Cb 1.10 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1ru3 h PRO 66 CO 1.02 0.07 0.48 0.28 -0.21 0.00 0.00 178.00 179.64 1ru3 h VAL 67 N 0.11 1.22 -0.02 3.15 2.07 -1.88 -0.59 116.25 120.31 1ru3 h VAL 67 Ca 0.50 -0.48 -0.19 0.00 0.82 0.00 0.00 66.70 67.35 1ru3 h VAL 67 Cb 0.96 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ru3 h VAL 67 CO -0.73 0.23 -0.74 0.40 0.02 0.00 0.00 177.57 176.75 1ru3 h ILE 68 N 1.09 1.37 -0.73 4.57 2.04 -1.68 -2.15 117.51 122.02 1ru3 h ILE 68 Ca 0.29 -2.10 0.11 0.00 1.00 0.00 0.00 64.86 64.16 1ru3 h ILE 68 Cb -0.05 2.46 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 1ru3 h ILE 68 CO -0.05 0.63 0.33 -0.09 0.00 0.00 0.00 178.15 178.97 1ru3 h ARG 69 N 0.10 0.52 0.37 2.37 9.65 -0.52 -1.04 114.38 125.82 1ru3 h ARG 69 Ca -0.09 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1ru3 h ARG 69 Cb 1.42 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1ru3 h ARG 69 CO 0.15 0.34 -0.18 0.00 2.80 0.00 0.00 179.97 183.08 1ru3 h ALA 70 N 1.48 -0.69 0.00 2.80 0.00 -1.17 -0.94 119.26 120.74 1ru3 h ALA 70 Ca 0.38 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ru3 h ALA 70 Cb 0.48 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ru3 h ALA 70 CO -0.33 -0.65 -0.36 0.74 0.00 0.00 0.00 179.25 178.66 1ru3 h PHE 71 N -0.78 0.00 0.00 0.00 0.04 -1.34 -0.29 116.94 114.57 1ru3 h PHE 71 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ru3 h PHE 71 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1ru3 h PHE 71 CO 0.04 0.36 0.00 -1.13 -0.60 0.00 0.00 178.31 176.98 1ru3 n SER 72 N -4.07 0.22 0.00 2.17 3.41 -0.80 -3.89 113.62 110.66 1ru3 n SER 72 Ca -0.02 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1ru3 n SER 72 Cb 0.40 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1ru3 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ru3 n GLY 73 N 0.07 3.15 3.53 5.00 0.00 -0.41 -4.52 105.19 112.01 1ru3 n GLY 73 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ru3 n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ru3 n GLU 74 N -2.00 0.77 -3.70 1.61 4.71 -1.26 -4.75 120.64 116.03 1ru3 n GLU 74 Ca 0.00 0.29 -0.35 0.00 -0.01 0.00 0.00 57.16 57.10 1ru3 n GLU 74 Cb 0.00 -1.87 -0.08 0.00 -1.01 0.00 0.00 31.44 28.48 1ru3 n GLU 74 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1ru3 s GLU 75 N -2.21 3.03 0.13 3.49 -1.05 -1.26 -3.83 118.70 117.00 1ru3 s GLU 75 Ca 0.69 -3.18 -0.31 0.00 -0.15 0.00 0.00 54.97 52.02 1ru3 s GLU 75 Cb -0.47 -3.83 -0.11 0.00 -0.44 0.00 0.00 34.13 29.28 1ru3 s GLU 75 CO 0.53 -1.25 1.84 0.08 0.95 0.00 0.00 175.26 177.41 1ru3 s VAL 76 N -1.18 2.46 0.00 1.83 1.01 -1.26 -4.79 120.40 118.47 1ru3 s VAL 76 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1ru3 s VAL 76 Cb -0.09 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1ru3 s VAL 76 CO -0.12 0.00 0.00 0.54 0.00 0.00 0.00 175.10 175.52 1ru3 n ARG 77 N 5.62 2.17 -4.04 2.72 1.74 -1.26 -4.37 116.66 119.24 1ru3 n ARG 77 Ca 0.18 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.18 1ru3 n ARG 77 Cb 0.38 -0.68 -0.10 0.00 -1.02 0.00 0.00 32.46 31.04 1ru3 n ARG 77 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ru3 s THR 78 N -1.16 0.18 0.28 0.55 -4.23 -1.26 -1.41 115.64 108.59 1ru3 s THR 78 Ca 0.00 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1ru3 s THR 78 Cb 0.00 -1.16 0.29 0.00 1.34 0.00 0.00 72.50 72.98 1ru3 s THR 78 CO 0.00 -0.83 1.66 -0.07 -0.54 0.00 0.00 174.62 174.84 1ru3 h LEU 79 N 3.53 0.01 -2.65 4.79 3.38 -1.26 0.39 115.31 123.49 1ru3 h LEU 79 Ca -0.33 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ru3 h LEU 79 Cb 1.16 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1ru3 h LEU 79 CO 0.58 -0.12 0.01 0.07 0.09 0.00 0.00 178.44 179.07 1ru3 h LYS 80 N 0.23 0.00 0.00 1.13 2.10 -1.00 -1.06 116.57 117.97 1ru3 h LYS 80 Ca 0.52 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.13 1ru3 h LYS 80 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1ru3 h LYS 80 CO -0.62 0.00 -0.21 -0.44 -2.00 0.00 0.00 179.45 176.18 1ru3 h ASP 81 N 0.00 0.00 1.20 7.07 3.32 -0.49 -2.94 116.42 124.58 1ru3 h ASP 81 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1ru3 h ASP 81 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1ru3 h ASP 81 CO -0.00 0.21 -0.48 0.24 -1.72 0.00 0.00 179.24 177.49 1ru3 h MET 82 N 0.00 0.00 0.20 3.56 2.86 -1.32 -3.36 114.93 116.87 1ru3 h MET 82 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1ru3 h MET 82 Cb 0.55 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1ru3 h MET 82 CO 0.03 0.48 -0.46 0.28 1.06 0.00 0.00 176.91 178.30 1ru3 h VAL 83 N 0.00 0.10 0.00 -2.22 2.07 -1.62 -1.05 116.25 113.53 1ru3 h VAL 83 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1ru3 h VAL 83 Cb 1.20 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1ru3 h VAL 83 CO 0.06 0.00 -0.18 1.55 0.02 0.00 0.00 177.57 179.03 1ru3 h PRO 84 N -0.75 0.00 -0.12 1.57 0.13 -1.78 -2.22 132.00 128.84 1ru3 h PRO 84 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1ru3 h PRO 84 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ru3 h PRO 84 CO -0.21 0.18 -0.08 0.82 -0.23 0.00 0.00 178.00 178.47 1ru3 h ILE 85 N 0.00 1.33 -0.89 -3.56 2.04 -1.63 -1.69 117.51 113.12 1ru3 h ILE 85 Ca -0.00 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1ru3 h ILE 85 Cb 0.42 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1ru3 h ILE 85 CO 0.02 0.33 0.59 -0.07 0.00 0.00 0.00 178.15 179.03 1ru3 h LEU 86 N -0.11 1.02 -0.39 1.44 3.38 -0.86 0.51 115.31 120.30 1ru3 h LEU 86 Ca 0.02 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ru3 h LEU 86 Cb 0.57 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1ru3 h LEU 86 CO 0.02 0.74 0.09 0.78 0.09 0.00 0.00 178.44 180.16 1ru3 h ASN 87 N 1.20 0.04 -0.35 -0.43 4.21 -1.28 0.35 115.58 119.31 1ru3 h ASN 87 Ca 0.33 0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.84 1ru3 h ASN 87 Cb -0.14 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1ru3 h ASN 87 CO -0.07 0.06 -0.02 -0.09 -1.29 0.00 0.00 177.43 176.01 1ru3 h ARG 88 N 0.22 0.64 -0.88 0.81 2.43 -0.38 -1.62 114.38 115.60 1ru3 h ARG 88 Ca 0.19 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ru3 h ARG 88 Cb 0.21 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1ru3 h ARG 88 CO -0.24 0.77 0.48 0.52 -1.51 0.00 0.00 179.97 180.00 1ru3 h MET 89 N 0.45 1.23 0.03 0.20 2.86 -0.49 -2.37 114.93 116.83 1ru3 h MET 89 Ca 0.10 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1ru3 h MET 89 Cb 0.50 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1ru3 h MET 89 CO 0.02 0.89 -0.08 -0.09 1.06 0.00 0.00 176.91 178.72 1ru3 h ARG 90 N 1.23 -0.15 0.00 1.72 9.65 -0.64 0.90 114.38 127.10 1ru3 h ARG 90 Ca 0.31 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1ru3 h ARG 90 Cb 0.02 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1ru3 h ARG 90 CO -0.05 -0.10 0.00 0.00 2.80 0.00 0.00 179.97 182.62 1ru3 n ALA 91 N -2.27 1.14 0.09 2.80 0.00 -0.64 -1.51 120.51 120.13 1ru3 n ALA 91 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1ru3 n ALA 91 Cb 0.12 -1.06 0.21 0.00 0.00 0.00 0.00 19.45 18.73 1ru3 n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ru3 n GLN 92 N -1.51 2.45 -3.32 0.00 10.64 0.30 -4.80 117.38 121.14 1ru3 n GLN 92 Ca 0.01 -2.25 -0.42 0.00 -1.83 0.00 0.00 57.00 52.51 1ru3 n GLN 92 Cb 0.04 -1.46 -0.09 0.00 -0.86 0.00 0.00 30.24 27.87 1ru3 n GLN 92 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ru3 s ILE 93 N -1.26 5.09 0.16 -0.39 1.01 -0.57 -4.56 121.20 120.68 1ru3 s ILE 93 Ca 0.36 0.03 0.09 0.00 0.00 0.00 0.00 60.65 61.14 1ru3 s ILE 93 Cb 0.21 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1ru3 s ILE 93 CO 0.28 -0.24 -0.16 -0.54 0.00 0.00 0.00 174.94 174.28 1ru3 s LYS 94 N 2.19 1.83 0.20 2.79 1.02 -1.26 -5.04 119.74 121.48 1ru3 s LYS 94 Ca 0.14 -1.30 0.08 0.00 0.02 0.00 0.00 55.97 54.92 1ru3 s LYS 94 Cb -0.16 -2.07 0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1ru3 s LYS 94 CO 0.13 0.44 1.46 0.66 -0.92 0.00 0.00 175.35 177.13 1ru3 h SER 95 N 3.28 0.02 -2.33 2.83 4.64 -1.97 -3.44 113.55 116.57 1ru3 h SER 95 Ca -0.48 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.28 1ru3 h SER 95 Cb 1.19 -0.01 0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1ru3 h SER 95 CO 0.50 0.80 1.15 -0.62 -0.87 0.00 0.00 176.83 177.79 1ru3 n GLU 96 N -3.61 2.69 -1.19 4.77 1.02 -1.26 -4.82 120.64 118.24 1ru3 n GLU 96 Ca -0.01 0.98 -0.35 0.00 -0.02 0.00 0.00 57.16 57.76 1ru3 n GLU 96 Cb 0.76 -2.89 -0.02 0.00 -0.02 0.00 0.00 31.44 29.26 1ru3 n GLU 96 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ru3 n LEU 97 N 6.60 6.29 -4.93 -4.62 4.77 -1.26 -4.70 117.00 119.15 1ru3 n LEU 97 Ca 0.20 -3.58 -0.25 0.00 -0.03 0.00 0.00 56.01 52.35 1ru3 n LEU 97 Cb 0.37 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 1ru3 n LEU 97 CO 0.68 0.96 -0.10 0.42 -1.33 0.00 0.00 177.39 178.02 1ru3 s THR 98 N 3.31 5.21 0.54 -5.08 -4.23 -1.26 -4.89 115.64 109.25 1ru3 s THR 98 Ca 0.53 -0.80 0.23 0.00 -1.18 0.00 0.00 61.69 60.48 1ru3 s THR 98 Cb 0.14 -3.71 0.34 0.00 1.34 0.00 0.00 72.50 70.61 1ru3 s THR 98 CO -0.02 -0.14 2.09 0.15 -0.54 0.00 0.00 174.62 176.15 1ru3 h PHE 99 N 1.98 0.00 0.30 3.99 3.04 -1.99 0.10 116.94 124.36 1ru3 h PHE 99 Ca -0.49 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.45 1ru3 h PHE 99 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 1ru3 h PHE 99 CO 0.52 0.00 -0.14 1.49 -2.02 0.00 0.00 178.31 178.16 1ru3 h GLU 100 N 0.00 -0.39 -0.48 1.11 4.81 -1.95 -1.48 114.58 116.20 1ru3 h GLU 100 Ca 0.11 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ru3 h GLU 100 Cb 0.47 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1ru3 h GLU 100 CO -0.00 -0.05 0.29 -0.91 -0.73 0.00 0.00 179.01 177.61 1ru3 h ASN 101 N -0.88 0.57 0.26 1.04 4.21 -1.66 0.30 115.58 119.42 1ru3 h ASN 101 Ca -0.04 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1ru3 h ASN 101 Cb 0.52 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1ru3 h ASN 101 CO 0.07 0.44 -0.15 0.00 -1.29 0.00 0.00 177.43 176.49 1ru3 h ALA 102 N 1.66 -1.04 -0.93 -0.83 0.00 -0.84 -1.43 119.26 115.86 1ru3 h ALA 102 Ca 0.17 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.27 1ru3 h ALA 102 Cb -0.03 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 17.84 1ru3 h ALA 102 CO -0.03 -1.02 0.24 0.00 0.00 0.00 0.00 179.25 178.44 1ru3 h ARG 103 N -0.39 0.14 -0.12 0.00 3.08 -0.37 1.27 114.38 117.99 1ru3 h ARG 103 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ru3 h ARG 103 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1ru3 h ARG 103 CO 0.04 0.09 0.01 1.25 -1.07 0.00 0.00 179.97 180.30 1ru3 h LEU 104 N 0.14 0.15 0.21 3.04 5.85 -0.94 -0.70 115.31 123.05 1ru3 h LEU 104 Ca 0.61 -0.01 -0.32 0.00 0.84 0.00 0.00 57.88 59.00 1ru3 h LEU 104 Cb 1.31 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 42.33 1ru3 h LEU 104 CO -0.73 0.17 -1.44 0.00 -0.34 0.00 0.00 178.44 176.10 1ru3 h ALA 105 N 1.85 -0.05 -0.83 1.25 0.00 0.26 -2.08 119.26 119.66 1ru3 h ALA 105 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 54.91 54.07 1ru3 h ALA 105 Cb 0.09 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1ru3 h ALA 105 CO -0.00 0.81 0.55 0.78 0.00 0.00 0.00 179.25 181.39 1ru3 h GLY 106 N 0.66 1.16 0.74 0.00 0.00 -0.42 0.12 103.07 105.32 1ru3 h GLY 106 Ca -0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1ru3 h GLY 106 CO 0.25 0.41 -0.01 -2.09 0.00 0.00 0.00 176.54 175.10 1ru3 h GLU 107 N 1.10 0.16 -0.06 4.80 4.81 -1.09 -1.61 114.58 122.69 1ru3 h GLU 107 Ca 0.31 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1ru3 h GLU 107 Cb -0.10 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1ru3 h GLU 107 CO -0.07 0.44 0.06 0.00 -0.73 0.00 0.00 179.01 178.70 1ru3 h ALA 108 N 0.72 1.77 -0.18 2.92 0.00 -0.97 -0.26 119.26 123.26 1ru3 h ALA 108 Ca 0.02 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1ru3 h ALA 108 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ru3 h ALA 108 CO 0.01 -0.09 -0.71 1.15 0.00 0.00 0.00 179.25 179.61 1ru3 h THR 109 N 0.00 1.28 -0.48 0.00 2.02 -0.15 -0.25 112.91 115.34 1ru3 h THR 109 Ca 0.03 -1.91 -0.05 0.00 0.77 0.00 0.00 66.41 65.25 1ru3 h THR 109 Cb 0.15 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1ru3 h THR 109 CO -0.00 0.61 0.08 -0.50 0.37 0.00 0.00 175.52 176.07 1ru3 h TRP 110 N 0.53 0.76 0.24 3.16 4.06 -0.22 -0.50 115.95 123.99 1ru3 h TRP 110 Ca -0.04 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 1ru3 h TRP 110 Cb 1.33 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1ru3 h TRP 110 CO 0.09 0.67 -0.12 1.88 -3.56 0.00 0.00 178.44 177.40 1ru3 h TYR 111 N 0.71 -0.30 -0.58 0.49 -1.99 -0.74 -0.10 116.97 114.46 1ru3 h TYR 111 Ca 0.15 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.99 1ru3 h TYR 111 Cb 0.32 0.10 -0.09 0.00 2.00 0.00 0.00 36.73 39.06 1ru3 h TYR 111 CO 0.02 -0.05 0.07 0.00 -0.00 0.00 0.00 178.16 178.20 1ru3 h ALA 112 N 0.18 0.63 -0.60 3.88 0.00 -0.86 0.26 119.26 122.75 1ru3 h ALA 112 Ca -0.03 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ru3 h ALA 112 Cb 0.39 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ru3 h ALA 112 CO 0.05 -0.35 0.39 0.00 0.00 0.00 0.00 179.25 179.35 1ru3 h ALA 113 N 1.49 0.76 -0.71 0.00 0.00 -0.95 0.13 119.26 119.97 1ru3 h ALA 113 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ru3 h ALA 113 Cb 0.46 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ru3 h ALA 113 CO -0.43 0.19 0.26 1.49 0.00 0.00 0.00 179.25 180.76 1ru3 h GLU 114 N 0.81 1.08 -0.24 0.00 4.57 0.81 0.73 114.58 122.33 1ru3 h GLU 114 Ca 0.22 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1ru3 h GLU 114 Cb -0.09 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 1ru3 h GLU 114 CO -0.05 0.91 -0.13 0.82 -1.18 0.00 0.00 179.01 179.38 1ru3 h ILE 115 N 1.03 1.30 -0.40 2.32 2.04 0.03 -0.92 117.51 122.92 1ru3 h ILE 115 Ca 0.24 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.90 1ru3 h ILE 115 Cb 0.25 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1ru3 h ILE 115 CO -0.01 0.38 0.21 0.40 0.00 0.00 0.00 178.15 179.12 1ru3 h ILE 116 N 0.24 0.99 -0.56 -0.67 2.04 -0.32 0.15 117.51 119.39 1ru3 h ILE 116 Ca 0.05 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1ru3 h ILE 116 Cb 0.64 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ru3 h ILE 116 CO 0.04 0.08 0.26 -0.33 0.00 0.00 0.00 178.15 178.19 1ru3 h GLU 117 N 0.42 0.81 -0.68 2.37 4.39 -0.79 -0.49 114.58 120.61 1ru3 h GLU 117 Ca 0.17 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1ru3 h GLU 117 Cb 0.06 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1ru3 h GLU 117 CO -0.11 0.67 0.19 0.00 -1.16 0.00 0.00 179.01 178.60 1ru3 h ALA 118 N 1.10 1.06 -0.22 3.43 0.00 -0.47 -1.08 119.26 123.09 1ru3 h ALA 118 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ru3 h ALA 118 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ru3 h ALA 118 CO -0.02 0.63 0.15 -0.07 0.00 0.00 0.00 179.25 179.93 1ru3 h LEU 119 N 1.01 0.22 -0.76 0.00 3.38 -0.09 -0.07 115.31 119.01 1ru3 h LEU 119 Ca 0.22 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1ru3 h LEU 119 Cb 0.31 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ru3 h LEU 119 CO -0.00 0.16 -0.14 -0.09 0.09 0.00 0.00 178.44 178.45 1ru3 h ARG 120 N 0.26 0.00 -0.02 1.13 2.43 0.16 -2.89 114.38 115.44 1ru3 h ARG 120 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ru3 h ARG 120 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ru3 h ARG 120 CO -0.02 0.14 0.00 0.66 -1.51 0.00 0.00 179.97 179.24 1ru3 n TYR 121 N -3.20 0.02 0.31 2.20 4.01 -0.04 -3.41 117.16 117.05 1ru3 n TYR 121 Ca 0.02 -0.01 0.20 0.00 -0.16 0.00 0.00 57.90 57.95 1ru3 n TYR 121 Cb 0.46 0.00 1.00 0.00 -0.31 0.00 0.00 39.34 40.50 1ru3 n TYR 121 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ru3 h LEU 122 N 1.13 0.00 -3.24 7.72 3.38 -1.51 -0.34 115.31 122.46 1ru3 h LEU 122 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ru3 h LEU 122 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ru3 h LEU 122 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1ru3 n LYS 123 N -3.05 3.24 -3.99 1.13 5.02 -1.22 -4.98 118.16 114.31 1ru3 n LYS 123 Ca -0.02 -2.77 -0.32 0.00 -2.02 0.00 0.00 58.31 53.18 1ru3 n LYS 123 Cb 0.16 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 1ru3 n LYS 123 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ru3 s HIS 124 N -2.48 3.41 0.06 2.13 2.46 -0.14 -4.67 115.29 116.07 1ru3 s HIS 124 Ca 0.42 0.25 -0.18 0.00 0.47 0.00 0.00 55.06 56.01 1ru3 s HIS 124 Cb 0.32 -1.76 0.04 0.00 -0.13 0.00 0.00 32.58 31.05 1ru3 s HIS 124 CO 0.12 0.59 0.43 0.95 -2.47 0.00 0.00 174.74 174.36 1ru3 s THR 125 N -1.33 0.05 0.22 0.89 -4.23 -1.19 -4.98 115.64 105.08 1ru3 s THR 125 Ca 0.28 -0.44 0.29 0.00 -1.18 0.00 0.00 61.69 60.64 1ru3 s THR 125 Cb -0.12 -1.00 0.32 0.00 1.34 0.00 0.00 72.50 73.03 1ru3 s THR 125 CO 0.19 -0.24 1.97 1.55 -0.54 0.00 0.00 174.62 177.56 1ru3 h PRO 126 N 2.82 0.00 0.00 3.99 0.13 -1.99 0.75 132.00 137.70 1ru3 h PRO 126 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ru3 h PRO 126 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ru3 h PRO 126 CO 0.44 0.11 -0.80 1.05 -0.23 0.00 0.00 178.00 178.57 1ru3 h GLU 127 N 0.00 0.00 -1.72 0.86 4.11 -2.01 -3.38 114.58 112.43 1ru3 h GLU 127 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.98 1ru3 h GLU 127 Cb 0.52 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.41 1ru3 h GLU 127 CO 0.01 0.00 -1.09 0.09 0.07 0.00 0.00 179.01 178.10 1ru3 n ASN 128 N -2.48 0.33 -4.75 3.06 4.13 -0.82 -5.13 115.26 109.60 1ru3 n ASN 128 Ca 0.01 -3.07 -0.39 0.00 1.68 0.00 0.00 54.58 52.81 1ru3 n ASN 128 Cb 0.51 -0.27 0.03 0.00 -1.54 0.00 0.00 39.78 38.51 1ru3 n ASN 128 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1ru3 n PRO 129 N 0.40 1.94 -0.09 3.52 -0.04 0.19 -3.17 135.00 137.76 1ru3 n PRO 129 Ca 0.22 0.70 -0.16 0.00 -0.04 0.00 0.00 63.50 64.22 1ru3 n PRO 129 Cb 0.65 -2.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 1ru3 n PRO 129 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1ru3 h ILE 130 N 1.79 1.14 -3.45 0.52 3.07 -1.83 -3.41 117.51 115.34 1ru3 h ILE 130 Ca -0.51 -2.09 -0.68 0.00 1.55 0.00 0.00 64.86 63.13 1ru3 h ILE 130 Cb 1.29 2.39 -0.37 0.00 -0.27 0.00 0.00 36.82 39.86 1ru3 h ILE 130 CO 0.59 0.39 -0.41 0.68 -1.05 0.00 0.00 178.15 178.34 1ru3 s VAL 131 N -2.25 3.44 0.52 0.16 -7.23 -1.26 -5.06 120.40 108.72 1ru3 s VAL 131 Ca -0.22 -3.27 -0.13 0.00 -1.81 0.00 0.00 61.98 56.55 1ru3 s VAL 131 Cb 0.02 -3.26 -0.06 0.00 0.56 0.00 0.00 36.38 33.64 1ru3 s VAL 131 CO 0.57 -0.89 0.94 0.54 -0.31 0.00 0.00 175.10 175.95 1ru3 s VAL 132 N -0.39 4.66 0.97 1.32 0.11 -1.26 -4.53 120.40 121.28 1ru3 s VAL 132 Ca 0.19 0.93 -0.17 0.00 -2.93 0.00 0.00 61.98 59.99 1ru3 s VAL 132 Cb -0.19 -3.78 -0.15 0.00 -1.53 0.00 0.00 36.38 30.73 1ru3 s VAL 132 CO -0.04 -0.80 -0.85 -2.65 -3.33 0.00 0.00 175.10 167.43 1ru3 n PRO 133 N -1.90 0.00 0.24 1.54 -0.02 -1.26 -3.90 135.00 129.70 1ru3 n PRO 133 Ca 0.05 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1ru3 n PRO 133 Cb 0.54 -0.97 0.60 0.00 -0.02 0.00 0.00 33.50 33.65 1ru3 n PRO 133 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ru3 h PRO 134 N -0.97 0.03 -7.01 0.52 0.13 -1.96 -3.50 132.00 119.22 1ru3 h PRO 134 Ca -0.42 -0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.18 1ru3 h PRO 134 Cb 1.27 -0.01 0.21 0.00 0.13 0.00 0.00 31.00 32.61 1ru3 h PRO 134 CO 0.22 0.06 -0.21 0.91 -0.23 0.00 0.00 178.00 178.75 1ru3 n TRP 135 N -4.49 -0.39 -0.07 1.56 8.01 -1.25 -4.73 117.44 116.07 1ru3 n TRP 135 Ca -0.03 0.30 -0.10 0.00 -1.31 0.00 0.00 57.50 56.36 1ru3 n TRP 135 Cb 0.12 -1.88 -0.07 0.00 -2.01 0.00 0.00 31.31 27.47 1ru3 n TRP 135 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1ru3 n THR 136 N -3.96 0.87 -4.46 -0.99 -2.24 0.71 -4.71 114.28 99.49 1ru3 n THR 136 Ca 0.09 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1ru3 n THR 136 Cb 0.53 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1ru3 n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ru3 n GLY 137 N 2.68 1.57 3.70 3.38 0.00 -0.90 -4.58 105.19 111.03 1ru3 n GLY 137 Ca -0.26 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1ru3 n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ru3 s PHE 138 N 0.00 2.78 -0.22 1.61 5.36 -1.26 -4.89 117.98 121.35 1ru3 s PHE 138 Ca 0.00 0.64 -0.19 0.00 -0.96 0.00 0.00 56.93 56.42 1ru3 s PHE 138 Cb 0.00 -3.80 -0.03 0.00 -0.34 0.00 0.00 43.02 38.85 1ru3 s PHE 138 CO 0.00 -3.05 0.56 0.42 -1.46 0.00 0.00 175.22 171.69 1ru3 s ILE 139 N 2.16 5.06 0.90 3.12 1.01 -1.26 -4.97 121.20 127.21 1ru3 s ILE 139 Ca 0.68 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 62.23 1ru3 s ILE 139 Cb -0.36 -3.88 0.09 0.00 0.01 0.00 0.00 42.46 38.32 1ru3 s ILE 139 CO 0.30 0.11 0.86 0.61 0.00 0.00 0.00 174.94 176.82 1ru3 n GLY 140 N 4.04 -0.96 0.22 6.18 0.00 -1.26 -4.84 105.19 108.57 1ru3 n GLY 140 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 1ru3 n GLY 140 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ru3 h ASP 141 N -1.52 0.11 -0.88 1.61 5.19 -1.23 -2.64 116.42 117.06 1ru3 h ASP 141 Ca -0.44 0.09 0.19 0.00 -0.62 0.00 0.00 57.03 56.25 1ru3 h ASP 141 Cb 1.28 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.82 1ru3 h ASP 141 CO 0.40 0.08 0.58 -0.65 -3.12 0.00 0.00 179.24 176.52 1ru3 h PRO 142 N 0.32 0.43 0.06 3.56 0.11 -1.92 0.24 132.00 134.81 1ru3 h PRO 142 Ca 0.29 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 66.12 1ru3 h PRO 142 Cb 0.39 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1ru3 h PRO 142 CO -0.33 0.29 -1.26 -0.24 -0.21 0.00 0.00 178.00 176.25 1ru3 h VAL 143 N 0.45 1.44 -0.55 3.15 3.04 -1.83 -1.57 116.25 120.38 1ru3 h VAL 143 Ca 0.46 -3.11 -0.01 0.00 -1.01 0.00 0.00 66.70 63.02 1ru3 h VAL 143 Cb 1.07 2.82 -0.03 0.00 -2.01 0.00 0.00 31.29 33.14 1ru3 h VAL 143 CO -0.18 0.87 0.30 0.58 -1.01 0.00 0.00 177.57 178.13 1ru3 h VAL 144 N 0.04 1.18 0.38 1.51 2.07 -0.97 0.26 116.25 120.72 1ru3 h VAL 144 Ca -0.12 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1ru3 h VAL 144 Cb 1.91 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1ru3 h VAL 144 CO 0.15 0.20 -0.41 -0.09 0.02 0.00 0.00 177.57 177.44 1ru3 h ARG 145 N 0.73 -0.79 -0.33 1.57 9.65 -0.54 1.35 114.38 126.02 1ru3 h ARG 145 Ca 0.19 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1ru3 h ARG 145 Cb 0.05 0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1ru3 h ARG 145 CO -0.03 -0.53 0.20 0.37 2.80 0.00 0.00 179.97 182.78 1ru3 h GLN 146 N -0.82 0.39 0.00 0.20 4.15 -1.00 -3.27 115.11 114.76 1ru3 h GLN 146 Ca -0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1ru3 h GLN 146 Cb 0.74 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1ru3 h GLN 146 CO -0.08 0.26 -1.02 0.66 -1.93 0.00 0.00 178.83 176.72 1ru3 n TYR 147 N -4.90 0.00 -0.13 3.99 4.02 0.88 -4.52 117.16 116.50 1ru3 n TYR 147 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1ru3 n TYR 147 Cb 0.05 -0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.30 1ru3 n TYR 147 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1ru3 h GLY 148 N 4.38 0.73 0.98 2.72 0.00 0.17 -1.70 103.07 110.35 1ru3 h GLY 148 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ru3 h GLY 148 CO 0.00 0.47 0.19 1.19 0.00 0.00 0.00 176.54 178.40 1ru3 h ILE 149 N 0.51 1.11 -0.68 2.60 2.10 -1.70 0.30 117.51 121.74 1ru3 h ILE 149 Ca 0.11 -0.24 0.19 0.00 1.08 0.00 0.00 64.86 66.00 1ru3 h ILE 149 Cb 0.43 0.69 -0.03 0.00 -1.09 0.00 0.00 36.82 36.82 1ru3 h ILE 149 CO 0.01 0.10 0.49 0.11 -1.08 0.00 0.00 178.15 177.78 1ru3 h LYS 150 N 0.41 0.04 0.18 2.19 1.79 -1.77 0.11 116.57 119.52 1ru3 h LYS 150 Ca 0.11 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1ru3 h LYS 150 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1ru3 h LYS 150 CO -0.02 0.03 -0.08 1.98 -1.08 0.00 0.00 179.45 180.27 1ru3 h MET 151 N 0.04 -0.23 0.00 3.15 4.05 0.38 -1.37 114.93 120.96 1ru3 h MET 151 Ca 0.33 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1ru3 h MET 151 Cb 1.24 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1ru3 h MET 151 CO -0.02 0.13 0.00 1.33 0.23 0.00 0.00 176.91 178.59 1ru3 n VAL 152 N -4.92 0.69 1.13 -5.77 0.24 0.68 -2.08 118.33 108.30 1ru3 n VAL 152 Ca -0.07 -0.07 0.12 0.00 -2.04 0.00 0.00 64.34 62.29 1ru3 n VAL 152 Cb 0.23 -0.83 0.36 0.00 -1.47 0.00 0.00 33.84 32.13 1ru3 n VAL 152 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ru3 n ASP 153 N -2.26 2.07 -0.20 -1.34 5.68 0.27 -4.88 116.55 115.90 1ru3 n ASP 153 Ca 0.04 -1.73 -0.03 0.00 -0.50 0.00 0.00 54.79 52.57 1ru3 n ASP 153 Cb 0.35 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.23 1ru3 n ASP 153 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1ru3 n TRP 154 N 0.60 0.00 0.12 2.11 7.02 -0.88 -4.91 117.44 121.49 1ru3 n TRP 154 Ca 0.17 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.52 1ru3 n TRP 154 Cb 0.42 -0.99 -0.06 0.00 -2.42 0.00 0.00 31.31 28.26 1ru3 n TRP 154 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1ru3 h THR 155 N 0.00 0.38 -3.61 -0.99 2.02 -1.51 -3.19 112.91 106.01 1ru3 h THR 155 Ca -0.05 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.54 1ru3 h THR 155 Cb 0.39 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1ru3 h THR 155 CO 0.08 0.00 0.72 -0.63 0.37 0.00 0.00 175.52 176.06 1ru3 s ILE 156 N -6.04 4.42 0.61 3.11 1.01 -0.82 -4.93 121.20 118.55 1ru3 s ILE 156 Ca -0.16 1.09 0.33 0.00 0.00 0.00 0.00 60.65 61.92 1ru3 s ILE 156 Cb 0.08 -4.46 0.37 0.00 0.01 0.00 0.00 42.46 38.46 1ru3 s ILE 156 CO 0.65 -0.79 2.23 1.55 0.00 0.00 0.00 174.94 178.58 1ru3 h PRO 157 N 8.89 0.00 -1.40 2.79 0.13 -1.78 -3.43 132.00 137.20 1ru3 h PRO 157 Ca -0.23 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.22 1ru3 h PRO 157 Cb 1.07 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 1ru3 h PRO 157 CO 1.05 0.00 0.85 0.20 -0.23 0.00 0.00 178.00 179.86 1ru3 s GLY 158 N -4.08 -0.40 -0.04 1.56 0.00 -1.26 -4.80 107.32 98.30 1ru3 s GLY 158 Ca -0.05 0.90 0.04 0.00 0.00 0.00 0.00 44.72 45.62 1ru3 s GLY 158 CO 0.50 0.21 -0.17 -0.54 0.00 0.00 0.00 173.10 173.10 1ru3 s GLU 159 N -2.38 1.75 -0.21 2.90 8.01 0.66 -2.86 118.70 126.57 1ru3 s GLU 159 Ca 0.13 -0.60 -0.06 0.00 0.01 0.00 0.00 54.97 54.46 1ru3 s GLU 159 Cb 0.04 -1.53 -0.02 0.00 -4.31 0.00 0.00 34.13 28.31 1ru3 s GLU 159 CO -0.04 0.24 0.01 0.00 0.01 0.00 0.00 175.26 175.48 1ru3 s ALA 160 N 0.04 3.05 -0.40 5.21 0.00 0.13 -1.68 121.76 128.12 1ru3 s ALA 160 Ca -0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1ru3 s ALA 160 Cb -0.11 -1.84 0.10 0.00 0.00 0.00 0.00 23.12 21.27 1ru3 s ALA 160 CO 0.02 -0.26 0.19 0.42 0.00 0.00 0.00 175.76 176.13 1ru3 s ILE 161 N 1.20 3.27 -0.38 0.00 1.01 -0.36 0.07 121.20 126.01 1ru3 s ILE 161 Ca 0.03 -2.00 -0.15 0.00 0.00 0.00 0.00 60.65 58.53 1ru3 s ILE 161 Cb -0.14 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.12 1ru3 s ILE 161 CO 0.02 -0.64 0.32 -0.63 0.00 0.00 0.00 174.94 174.00 1ru3 s ILE 162 N 1.15 5.22 -0.11 2.92 1.01 0.12 -0.78 121.20 130.73 1ru3 s ILE 162 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1ru3 s ILE 162 Cb -0.22 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1ru3 s ILE 162 CO -0.04 -0.23 -0.16 0.27 0.00 0.00 0.00 174.94 174.79 1ru3 s ILE 163 N 1.84 2.84 0.00 2.92 -4.36 -0.33 0.53 121.20 124.63 1ru3 s ILE 163 Ca 0.08 -0.75 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 1ru3 s ILE 163 Cb -0.18 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1ru3 s ILE 163 CO 0.11 0.54 0.00 0.61 0.24 0.00 0.00 174.94 176.45 1ru3 n GLY 164 N 3.27 0.60 3.19 6.27 0.00 0.44 -1.74 105.19 117.21 1ru3 n GLY 164 Ca -0.18 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1ru3 n GLY 164 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ru3 s ARG 165 N 0.00 0.48 0.58 1.61 1.70 0.41 -0.11 118.95 123.62 1ru3 s ARG 165 Ca 0.00 0.07 -0.07 0.00 -0.47 0.00 0.00 55.73 55.26 1ru3 s ARG 165 Cb 0.00 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 1ru3 s ARG 165 CO 0.00 -0.10 0.92 0.00 -1.08 0.00 0.00 175.30 175.04 1ru3 s ALA 166 N -0.61 3.23 0.38 7.88 0.00 -1.26 -1.81 121.76 129.57 1ru3 s ALA 166 Ca -0.07 -0.49 0.14 0.00 0.00 0.00 0.00 51.96 51.53 1ru3 s ALA 166 Cb -0.04 -2.74 0.97 0.00 0.00 0.00 0.00 23.12 21.31 1ru3 s ALA 166 CO 0.02 -0.71 1.83 1.57 0.00 0.00 0.00 175.76 178.46 1ru3 h LYS 167 N -0.16 0.51 -2.27 0.00 2.10 -1.95 -3.44 116.57 111.36 1ru3 h LYS 167 Ca -0.46 -0.03 0.11 0.00 -2.00 0.00 0.00 60.65 58.27 1ru3 h LYS 167 Cb 1.23 -0.12 -0.15 0.00 -0.90 0.00 0.00 32.23 32.29 1ru3 h LYS 167 CO 0.62 0.34 0.49 0.16 -2.00 0.00 0.00 179.45 179.06 1ru3 s ASP 168 N -5.55 -0.37 0.28 7.07 -4.77 -1.26 -4.99 116.67 107.08 1ru3 s ASP 168 Ca -0.09 0.01 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 1ru3 s ASP 168 Cb 0.23 0.39 0.56 0.00 -1.09 0.00 0.00 42.92 43.01 1ru3 s ASP 168 CO 0.79 -0.62 1.59 0.28 0.70 0.00 0.00 175.17 177.91 1ru3 h SER 169 N 2.01 -0.58 -0.65 2.11 0.02 -1.90 0.57 113.55 115.13 1ru3 h SER 169 Ca -0.22 0.26 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1ru3 h SER 169 Cb 1.24 0.49 -0.06 0.00 0.14 0.00 0.00 62.40 64.20 1ru3 h SER 169 CO 0.31 -0.30 0.31 0.11 -1.14 0.00 0.00 176.83 176.12 1ru3 h LYS 170 N 0.03 0.54 -0.36 3.45 1.79 -1.96 0.31 116.57 120.37 1ru3 h LYS 170 Ca 0.50 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.92 1ru3 h LYS 170 Cb 0.92 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1ru3 h LYS 170 CO -0.88 0.36 0.16 0.00 -1.08 0.00 0.00 179.45 178.00 1ru3 h ALA 171 N 1.39 0.47 0.34 3.86 0.00 -0.34 -0.20 119.26 124.78 1ru3 h ALA 171 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ru3 h ALA 171 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ru3 h ALA 171 CO -0.25 0.06 -0.16 0.00 0.00 0.00 0.00 179.25 178.90 1ru3 h ALA 172 N 1.00 -0.46 -0.61 0.00 0.00 -0.50 -3.03 119.26 115.66 1ru3 h ALA 172 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ru3 h ALA 172 Cb 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ru3 h ALA 172 CO -0.01 -0.57 0.41 -0.22 0.00 0.00 0.00 179.25 178.85 1ru3 h LYS 173 N -0.83 0.53 0.19 0.00 3.64 -0.42 -0.37 116.57 119.32 1ru3 h LYS 173 Ca -0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1ru3 h LYS 173 Cb 0.52 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ru3 h LYS 173 CO 0.08 0.35 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.25 1ru3 h LYS 174 N 0.55 -0.30 0.10 1.90 3.64 -0.98 0.04 116.57 121.52 1ru3 h LYS 174 Ca 0.27 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1ru3 h LYS 174 Cb 0.36 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1ru3 h LYS 174 CO -0.08 -0.20 -0.08 -0.84 -2.27 0.00 0.00 179.45 175.98 1ru3 h ILE 175 N -0.31 0.81 0.00 2.00 3.07 -1.39 -1.95 117.51 119.74 1ru3 h ILE 175 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1ru3 h ILE 175 Cb 0.25 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.62 1ru3 h ILE 175 CO 0.01 0.00 0.00 0.58 -1.05 0.00 0.00 178.15 177.69 1ru3 h VAL 176 N -0.19 0.00 0.15 0.16 2.07 -1.12 0.46 116.25 117.77 1ru3 h VAL 176 Ca 0.00 -0.04 -0.27 0.00 0.82 0.00 0.00 66.70 67.21 1ru3 h VAL 176 Cb 0.18 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1ru3 h VAL 176 CO -0.01 0.00 -1.31 -0.78 0.02 0.00 0.00 177.57 175.48 1ru3 h ASP 177 N 0.00 0.50 0.15 0.57 3.58 -0.23 -3.02 116.42 117.96 1ru3 h ASP 177 Ca 0.00 -0.90 -0.31 0.00 0.42 0.00 0.00 57.03 56.24 1ru3 h ASP 177 Cb 0.05 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1ru3 h ASP 177 CO 0.00 1.60 -1.56 -2.24 -2.88 0.00 0.00 179.24 174.15 1ru3 h ASP 178 N -0.21 0.51 -0.37 2.28 2.03 -0.68 -0.47 116.42 119.51 1ru3 h ASP 178 Ca -0.26 -0.90 0.08 0.00 -0.73 0.00 0.00 57.03 55.21 1ru3 h ASP 178 Cb 1.83 -0.17 -0.09 0.00 -0.83 0.00 0.00 39.33 40.08 1ru3 h ASP 178 CO 0.13 1.70 -0.26 0.25 -1.03 0.00 0.00 179.24 180.03 1ru3 h LEU 179 N -0.10 -0.87 -1.70 0.15 6.46 -0.35 1.25 115.31 120.16 1ru3 h LEU 179 Ca -0.32 0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1ru3 h LEU 179 Cb 1.93 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 42.28 1ru3 h LEU 179 CO 0.12 -0.28 -0.04 -0.03 -0.62 0.00 0.00 178.44 177.59 1ru3 h MET 180 N -0.21 0.14 0.00 1.25 4.05 -1.60 -1.45 114.93 117.11 1ru3 h MET 180 Ca 0.18 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1ru3 h MET 180 Cb 0.49 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1ru3 h MET 180 CO -0.49 0.19 -0.01 0.78 0.23 0.00 0.00 176.91 177.61 1ru3 h GLY 181 N 0.40 0.00 -1.55 1.39 0.00 0.24 -3.17 103.07 100.38 1ru3 h GLY 181 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1ru3 h GLY 181 CO 0.01 0.00 0.01 0.28 0.00 0.00 0.00 176.54 176.83 1ru3 n LYS 182 N -3.03 1.72 -0.88 4.80 5.02 0.35 -4.87 118.16 121.28 1ru3 n LYS 182 Ca 0.04 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1ru3 n LYS 182 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1ru3 n LYS 182 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ru3 n GLY 183 N 0.12 1.14 3.70 0.72 0.00 -1.20 -4.84 105.19 104.85 1ru3 n GLY 183 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1ru3 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ru3 s LEU 184 N 0.00 1.65 0.03 0.99 1.02 -1.24 -4.52 118.68 116.62 1ru3 s LEU 184 Ca 0.00 1.09 0.02 0.00 0.02 0.00 0.00 54.13 55.26 1ru3 s LEU 184 Cb 0.00 -3.29 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 1ru3 s LEU 184 CO 0.00 -3.03 0.04 -0.32 0.02 0.00 0.00 176.35 173.07 1ru3 s MET 185 N -5.07 2.85 -0.02 1.70 -2.45 -1.14 -4.81 119.30 110.36 1ru3 s MET 185 Ca 0.65 -0.63 0.04 0.00 -1.25 0.00 0.00 55.69 54.51 1ru3 s MET 185 Cb -0.17 -2.72 -0.01 0.00 1.25 0.00 0.00 34.83 33.18 1ru3 s MET 185 CO 0.56 0.60 -0.15 -0.51 1.05 0.00 0.00 175.02 176.58 1ru3 s LEU 186 N -1.92 1.99 -0.23 4.11 1.43 0.58 -0.69 118.68 123.94 1ru3 s LEU 186 Ca 0.24 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1ru3 s LEU 186 Cb -0.12 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.34 1ru3 s LEU 186 CO 0.15 0.17 -0.12 -0.36 0.23 0.00 0.00 176.35 176.42 1ru3 s PHE 187 N -0.25 3.07 -0.08 0.29 0.08 0.11 0.24 117.98 121.45 1ru3 s PHE 187 Ca 0.04 -1.93 0.02 0.00 0.12 0.00 0.00 56.93 55.18 1ru3 s PHE 187 Cb -0.07 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1ru3 s PHE 187 CO -0.00 -0.82 -0.12 -0.51 -0.10 0.00 0.00 175.22 173.67 1ru3 s LEU 188 N 1.22 2.84 -0.30 -0.37 1.43 0.34 0.11 118.68 123.94 1ru3 s LEU 188 Ca -0.02 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1ru3 s LEU 188 Cb -0.17 -1.60 0.17 0.00 0.03 0.00 0.00 46.19 44.62 1ru3 s LEU 188 CO -0.07 0.30 0.68 0.00 0.23 0.00 0.00 176.35 177.48 1ru3 n ASP 190 N 5.42 0.00 -0.22 0.00 3.85 -1.09 0.17 116.55 124.67 1ru3 n ASP 190 Ca -0.04 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.04 1ru3 n ASP 190 Cb 0.51 0.00 0.23 0.00 -1.35 0.00 0.00 41.12 40.51 1ru3 n ASP 190 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1ru3 h GLU 191 N 0.00 1.01 -0.07 0.11 4.39 -0.82 -2.82 114.58 116.37 1ru3 h GLU 191 Ca 0.00 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1ru3 h GLU 191 Cb 0.00 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1ru3 h GLU 191 CO 0.00 0.68 0.14 0.82 -1.16 0.00 0.00 179.01 179.49 1ru3 h ILE 192 N 1.03 0.26 -0.46 3.13 2.04 -1.68 0.79 117.51 122.63 1ru3 h ILE 192 Ca 0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1ru3 h ILE 192 Cb -0.09 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1ru3 h ILE 192 CO -0.06 0.00 0.30 0.40 0.00 0.00 0.00 178.15 178.79 1ru3 h ILE 193 N 0.00 1.11 0.11 -0.67 2.04 -1.80 0.54 117.51 118.83 1ru3 h ILE 193 Ca 0.03 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1ru3 h ILE 193 Cb 0.31 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1ru3 h ILE 193 CO -0.00 0.11 -0.07 -0.33 0.00 0.00 0.00 178.15 177.86 1ru3 h GLU 194 N 0.61 -0.17 -0.93 2.37 4.39 -1.05 -0.03 114.58 119.77 1ru3 h GLU 194 Ca 0.17 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.99 1ru3 h GLU 194 Cb -0.06 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 28.50 1ru3 h GLU 194 CO -0.04 -0.11 -0.47 1.04 -1.16 0.00 0.00 179.01 178.27 1ru3 n GLN 195 N -2.62 -0.33 -0.06 2.33 6.02 -0.87 -1.07 117.38 120.78 1ru3 n GLN 195 Ca -0.02 1.41 -0.07 0.00 -0.01 0.00 0.00 57.00 58.31 1ru3 n GLN 195 Cb 0.07 -2.08 -0.01 0.00 1.02 0.00 0.00 30.24 29.23 1ru3 n GLN 195 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1ru3 h LEU 196 N 0.00 -0.34 -1.54 1.08 3.38 0.30 -1.95 115.31 116.23 1ru3 h LEU 196 Ca 0.22 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1ru3 h LEU 196 Cb 0.45 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ru3 h LEU 196 CO -0.89 -0.13 -0.24 -0.07 0.09 0.00 0.00 178.44 177.20 1ru3 h LEU 197 N -0.06 0.00 -0.28 1.67 4.07 0.44 -2.29 115.31 118.87 1ru3 h LEU 197 Ca 0.13 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1ru3 h LEU 197 Cb 0.25 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 1ru3 h LEU 197 CO -0.29 0.24 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.18 1ru3 h GLU 198 N 0.00 0.02 -0.98 1.13 4.81 -0.32 -1.50 114.58 117.74 1ru3 h GLU 198 Ca -0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ru3 h GLU 198 Cb 0.47 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ru3 h GLU 198 CO 0.03 0.01 0.02 0.39 -0.73 0.00 0.00 179.01 178.73 1ru3 n GLU 199 N -5.22 1.24 -3.35 1.92 1.02 -0.87 -4.87 120.64 110.51 1ru3 n GLU 199 Ca -0.01 -0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 56.67 1ru3 n GLU 199 Cb 0.16 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 1ru3 n GLU 199 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ru3 n ASN 200 N 0.15 -3.19 -4.66 1.62 4.13 -0.56 -4.93 115.26 107.81 1ru3 n ASN 200 Ca 0.03 -0.36 -0.42 0.00 1.68 0.00 0.00 54.58 55.52 1ru3 n ASN 200 Cb 0.41 -2.68 -0.04 0.00 -1.54 0.00 0.00 39.78 35.93 1ru3 n ASN 200 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ru3 s VAL 201 N -2.84 4.85 0.28 2.41 1.01 -1.14 -5.02 120.40 119.95 1ru3 s VAL 201 Ca 0.38 1.61 -0.23 0.00 0.00 0.00 0.00 61.98 63.75 1ru3 s VAL 201 Cb -0.21 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1ru3 s VAL 201 CO 0.47 -0.03 0.83 -1.59 0.00 0.00 0.00 175.10 174.78 1ru3 s LYS 202 N 2.50 4.40 0.30 2.72 -2.85 -1.26 -4.58 119.74 120.97 1ru3 s LYS 202 Ca 0.37 1.08 -0.20 0.00 -1.00 0.00 0.00 55.97 56.22 1ru3 s LYS 202 Cb -0.16 -2.81 0.04 0.00 -2.06 0.00 0.00 37.83 32.84 1ru3 s LYS 202 CO 0.10 0.33 0.79 -0.48 0.10 0.00 0.00 175.35 176.18 1ru3 s LEU 203 N -2.06 -0.15 0.00 2.77 2.34 -1.26 -5.03 118.68 115.28 1ru3 s LEU 203 Ca 0.47 -0.76 0.00 0.00 0.06 0.00 0.00 54.13 53.90 1ru3 s LEU 203 Cb -0.17 2.67 0.00 0.00 -0.56 0.00 0.00 46.19 48.13 1ru3 s LEU 203 CO 0.22 -1.39 0.00 0.61 -1.06 0.00 0.00 176.35 174.73 1ru3 n GLY 204 N -0.50 0.54 0.38 -3.48 0.00 -0.62 -4.88 105.19 96.63 1ru3 n GLY 204 Ca -0.06 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1ru3 n GLY 204 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ru3 h VAL 205 N 0.00 0.00 0.00 1.61 -1.51 -1.95 0.54 116.25 114.94 1ru3 h VAL 205 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ru3 h VAL 205 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 1ru3 h VAL 205 CO 0.00 0.00 0.44 0.44 -1.23 0.00 0.00 177.57 177.22 1ru3 h ASP 206 N -0.93 0.00 -0.02 4.19 3.32 -1.94 0.93 116.42 121.97 1ru3 h ASP 206 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ru3 h ASP 206 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1ru3 h ASP 206 CO 0.14 0.00 -0.12 -1.22 -1.72 0.00 0.00 179.24 176.32 1ru3 n TYR 207 N -2.26 0.00 -3.76 4.55 4.01 -0.78 -4.97 117.16 113.95 1ru3 n TYR 207 Ca -0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1ru3 n TYR 207 Cb 0.46 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1ru3 n TYR 207 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1ru3 n ILE 208 N 0.45 -1.95 -4.00 -0.72 -5.35 0.32 -4.81 119.36 103.30 1ru3 n ILE 208 Ca 0.08 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.25 1ru3 n ILE 208 Cb 0.35 -2.85 -0.15 0.00 -1.74 0.00 0.00 39.64 35.25 1ru3 n ILE 208 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ru3 s ALA 209 N -3.25 2.58 -0.55 -1.28 0.00 -0.02 -0.31 121.76 118.94 1ru3 s ALA 209 Ca 0.61 -2.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1ru3 s ALA 209 Cb -0.30 -1.77 0.08 0.00 0.00 0.00 0.00 23.12 21.13 1ru3 s ALA 209 CO 0.75 -1.50 0.64 0.71 0.00 0.00 0.00 175.76 176.37 1ru3 s TYR 210 N 1.08 3.04 -0.93 0.00 2.02 0.67 -1.59 117.35 121.63 1ru3 s TYR 210 Ca 0.03 -0.79 -0.24 0.00 -0.37 0.00 0.00 57.07 55.70 1ru3 s TYR 210 Cb -0.19 -3.75 0.03 0.00 -0.40 0.00 0.00 41.96 37.64 1ru3 s TYR 210 CO -0.08 -1.14 1.53 -1.25 -1.57 0.00 0.00 175.55 173.03 1ru3 s PRO 211 N 2.56 3.29 0.03 -1.71 0.04 -1.26 0.13 135.00 138.08 1ru3 s PRO 211 Ca 0.12 -0.75 -0.28 0.00 0.04 0.00 0.00 61.00 60.13 1ru3 s PRO 211 Cb -0.22 -5.07 -0.17 0.00 0.04 0.00 0.00 34.50 29.08 1ru3 s PRO 211 CO 0.09 -2.43 1.29 -0.07 0.04 0.00 0.00 177.00 175.91 1ru3 h LEU 212 N 13.92 -0.71 0.00 -3.56 4.07 0.55 0.20 115.31 129.79 1ru3 h LEU 212 Ca 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1ru3 h LEU 212 Cb 1.02 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1ru3 h LEU 212 CO 1.36 -0.37 0.00 0.61 -1.08 0.00 0.00 178.44 178.95 1ru3 n GLY 213 N -0.82 -0.29 0.00 0.83 0.00 -1.24 -2.12 105.19 101.55 1ru3 n GLY 213 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ru3 n GLY 213 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ru3 n ASN 214 N 0.00 0.17 0.00 1.61 3.02 -1.26 -2.68 115.26 116.11 1ru3 n ASN 214 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ru3 n ASN 214 Cb 0.00 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1ru3 n ASN 214 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ru3 n PHE 215 N -0.57 0.00 0.60 3.10 -0.00 -1.26 -4.54 117.46 114.80 1ru3 n PHE 215 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.52 1ru3 n PHE 215 Cb 0.02 0.00 0.35 0.00 -0.00 0.00 0.00 39.48 39.84 1ru3 n PHE 215 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1ru3 n THR 216 N 0.00 0.81 0.74 -2.13 -2.24 -1.26 -2.80 114.28 107.39 1ru3 n THR 216 Ca 0.00 0.20 0.03 0.00 -2.27 0.00 0.00 64.05 62.01 1ru3 n THR 216 Cb 0.00 -0.95 0.20 0.00 -2.10 0.00 0.00 70.33 67.48 1ru3 n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ru3 n GLN 217 N -1.41 0.37 0.18 -0.78 6.02 -1.26 -1.22 117.38 119.28 1ru3 n GLN 217 Ca 0.05 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1ru3 n GLN 217 Cb 0.15 -1.28 0.20 0.00 1.02 0.00 0.00 30.24 30.33 1ru3 n GLN 217 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1ru3 h VAL 218 N 0.00 0.68 0.00 5.09 3.04 -1.85 -2.77 116.25 120.44 1ru3 h VAL 218 Ca 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1ru3 h VAL 218 Cb 0.00 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1ru3 h VAL 218 CO 0.00 0.35 0.08 1.62 -1.01 0.00 0.00 177.57 178.61 1ru3 h VAL 219 N 0.00 0.00 0.00 1.51 3.04 -1.45 0.16 116.25 119.51 1ru3 h VAL 219 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ru3 h VAL 219 Cb 1.11 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1ru3 h VAL 219 CO 0.05 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 178.02 1ru3 n HIS 220 N -2.79 0.00 -0.02 3.17 -0.00 -1.05 -1.24 115.22 113.29 1ru3 n HIS 220 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.52 1ru3 n HIS 220 Cb 0.13 -0.28 -0.14 0.00 -0.00 0.00 0.00 29.99 29.70 1ru3 n HIS 220 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ru3 n ALA 221 N -1.28 1.11 0.14 -1.41 0.00 0.58 -3.86 120.51 115.79 1ru3 n ALA 221 Ca 0.06 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.65 1ru3 n ALA 221 Cb 0.11 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1ru3 n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ru3 h ALA 222 N 0.32 -0.32 0.00 0.00 0.00 -1.28 -1.80 119.26 116.18 1ru3 h ALA 222 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ru3 h ALA 222 Cb 2.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1ru3 h ALA 222 CO 0.07 -0.62 0.00 0.27 0.00 0.00 0.00 179.25 178.97 1ru3 n ASN 223 N -5.17 0.00 -0.02 0.00 0.23 -0.64 -0.63 115.26 109.03 1ru3 n ASN 223 Ca -0.09 0.50 -0.17 0.00 -0.53 0.00 0.00 54.58 54.28 1ru3 n ASN 223 Cb 0.19 -0.50 -0.14 0.00 -2.08 0.00 0.00 39.78 37.25 1ru3 n ASN 223 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1ru3 h TYR 224 N 0.00 0.25 0.23 -2.53 5.03 -1.59 -2.98 116.97 115.37 1ru3 h TYR 224 Ca 0.00 -0.18 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 1ru3 h TYR 224 Cb 0.19 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.47 1ru3 h TYR 224 CO 0.00 1.18 -0.11 0.00 -1.32 0.00 0.00 178.16 177.92 1ru3 h ALA 225 N 0.00 -0.30 0.00 1.82 0.00 -0.33 -2.79 119.26 117.66 1ru3 h ALA 225 Ca -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ru3 h ALA 225 Cb 1.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ru3 h ALA 225 CO 0.05 -0.60 -0.09 -0.07 0.00 0.00 0.00 179.25 178.55 1ru3 h LEU 226 N -0.45 0.00 -1.40 0.00 3.38 -1.02 -0.11 115.31 115.71 1ru3 h LEU 226 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ru3 h LEU 226 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ru3 h LEU 226 CO 0.05 0.09 -0.19 0.03 0.09 0.00 0.00 178.44 178.51 1ru3 h ARG 227 N 0.00 0.00 -0.23 1.13 3.08 -1.33 -2.42 114.38 114.62 1ru3 h ARG 227 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1ru3 h ARG 227 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1ru3 h ARG 227 CO 0.01 0.19 -0.20 0.00 -1.07 0.00 0.00 179.97 178.91 1ru3 h ALA 228 N 1.81 1.25 -0.04 0.04 0.00 -0.92 0.25 119.26 121.66 1ru3 h ALA 228 Ca -0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1ru3 h ALA 228 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ru3 h ALA 228 CO 0.02 0.49 -0.83 0.78 0.00 0.00 0.00 179.25 179.72 1ru3 h GLY 229 N 0.95 0.41 1.73 0.00 0.00 -1.49 -0.11 103.07 104.57 1ru3 h GLY 229 Ca 0.06 -0.64 -0.21 0.00 0.00 0.00 0.00 47.33 46.54 1ru3 h GLY 229 CO 0.04 0.57 -0.91 1.41 0.00 0.00 0.00 176.54 177.65 1ru3 h LEU 230 N 0.23 0.31 0.00 3.11 3.38 -1.10 -2.31 115.31 118.93 1ru3 h LEU 230 Ca -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ru3 h LEU 230 Cb 1.43 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1ru3 h LEU 230 CO 0.14 1.06 -0.36 0.24 0.09 0.00 0.00 178.44 179.62 1ru3 h MET 231 N 0.13 0.00 0.20 1.13 2.86 -0.54 -3.36 114.93 115.35 1ru3 h MET 231 Ca -0.05 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.26 1ru3 h MET 231 Cb 1.54 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.22 1ru3 h MET 231 CO 0.14 0.00 -1.53 0.74 1.06 0.00 0.00 176.91 177.33 1ru3 h PHE 232 N -0.97 0.79 0.00 -0.22 0.04 -1.21 -3.33 116.94 112.04 1ru3 h PHE 232 Ca 0.00 -0.57 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1ru3 h PHE 232 Cb 0.36 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1ru3 h PHE 232 CO -0.15 1.59 0.00 0.41 -0.60 0.00 0.00 178.31 179.56 1ru3 n GLY 233 N 1.78 -1.24 2.46 -1.45 0.00 -0.94 -4.63 105.19 101.17 1ru3 n GLY 233 Ca -0.21 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1ru3 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru3 n GLY 234 N 0.78 1.49 3.70 -0.02 0.00 -0.92 -4.89 105.19 105.33 1ru3 n GLY 234 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1ru3 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ru3 s ILE 235 N -2.67 4.85 0.46 -0.61 1.01 -0.92 -4.98 121.20 118.34 1ru3 s ILE 235 Ca 0.00 2.01 -0.24 0.00 0.00 0.00 0.00 60.65 62.42 1ru3 s ILE 235 Cb 0.00 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1ru3 s ILE 235 CO 0.00 0.10 1.17 0.00 0.00 0.00 0.00 174.94 176.21 1ru3 n ALA 236 N 4.36 0.87 -1.69 9.38 0.00 -1.26 -4.59 120.51 127.58 1ru3 n ALA 236 Ca 0.07 0.20 -0.44 0.00 0.00 0.00 0.00 53.44 53.26 1ru3 n ALA 236 Cb 0.50 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 1ru3 n ALA 236 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ru3 n PRO 237 N -0.22 2.47 -0.05 0.00 -0.02 -1.26 -2.59 135.00 133.32 1ru3 n PRO 237 Ca 0.09 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1ru3 n PRO 237 Cb 0.41 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1ru3 n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ru3 n GLY 238 N 3.78 0.43 3.49 -1.23 0.00 -0.12 -4.58 105.19 106.96 1ru3 n GLY 238 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1ru3 n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ru3 s LEU 239 N 0.00 4.68 0.07 0.99 1.43 -1.07 -4.54 118.68 120.24 1ru3 s LEU 239 Ca 0.00 -2.27 -0.25 0.00 -1.03 0.00 0.00 54.13 50.58 1ru3 s LEU 239 Cb 0.00 -2.45 -0.12 0.00 0.03 0.00 0.00 46.19 43.66 1ru3 s LEU 239 CO 0.00 -1.05 1.40 -0.09 0.23 0.00 0.00 176.35 176.84 1ru3 h ARG 240 N 8.37 -0.63 0.00 1.70 2.43 -1.77 0.64 114.38 125.12 1ru3 h ARG 240 Ca 0.24 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1ru3 h ARG 240 Cb 0.96 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ru3 h ARG 240 CO 1.24 -0.42 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.61 1ru3 h ASP 241 N -0.65 0.00 -0.34 -3.80 5.19 -1.90 -1.43 116.42 113.49 1ru3 h ASP 241 Ca -0.03 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.24 1ru3 h ASP 241 Cb 0.60 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1ru3 h ASP 241 CO -0.11 0.22 -0.32 0.00 -3.12 0.00 0.00 179.24 175.91 1ru3 h ALA 242 N 1.78 0.70 -0.67 3.45 0.00 -1.80 -0.25 119.26 122.46 1ru3 h ALA 242 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1ru3 h ALA 242 Cb 0.57 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ru3 h ALA 242 CO 0.03 0.67 0.10 0.45 0.00 0.00 0.00 179.25 180.49 1ru3 h HIS 243 N 0.73 1.19 -0.56 0.00 3.86 -0.36 -0.01 115.15 119.99 1ru3 h HIS 243 Ca 0.08 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1ru3 h HIS 243 Cb 0.88 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1ru3 h HIS 243 CO 0.05 1.00 0.22 0.00 0.86 0.00 0.00 177.93 180.05 1ru3 h ARG 244 N 1.04 0.85 -0.86 2.45 3.08 -0.95 -0.75 114.38 119.24 1ru3 h ARG 244 Ca 0.20 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ru3 h ARG 244 Cb 0.45 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1ru3 h ARG 244 CO 0.01 0.74 0.48 0.22 -1.07 0.00 0.00 179.97 180.36 1ru3 h ASP 245 N 0.77 1.07 -0.41 7.04 1.82 -0.80 -1.34 116.42 124.57 1ru3 h ASP 245 Ca 0.19 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.68 1ru3 h ASP 245 Cb 0.21 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1ru3 h ASP 245 CO -0.01 0.85 0.05 0.22 -1.61 0.00 0.00 179.24 178.74 1ru3 h TYR 246 N 1.20 0.74 -0.26 0.28 3.20 -0.51 -2.15 116.97 119.47 1ru3 h TYR 246 Ca 0.31 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1ru3 h TYR 246 Cb 0.01 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1ru3 h TYR 246 CO 0.01 0.73 0.05 1.96 -1.64 0.00 0.00 178.16 179.26 1ru3 h GLN 247 N 0.54 0.14 -0.46 1.82 1.08 -0.66 -1.08 115.11 116.49 1ru3 h GLN 247 Ca 0.12 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1ru3 h GLN 247 Cb 0.40 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1ru3 h GLN 247 CO 0.01 0.09 0.23 -0.09 -0.95 0.00 0.00 178.83 178.12 1ru3 h ARG 248 N 0.14 0.44 0.00 1.46 9.65 -1.09 0.35 114.38 125.33 1ru3 h ARG 248 Ca 0.12 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.79 1ru3 h ARG 248 Cb 0.13 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1ru3 h ARG 248 CO -0.16 0.29 -0.96 0.00 2.80 0.00 0.00 179.97 181.93 1ru3 h ARG 249 N 0.45 0.00 0.00 0.20 3.08 -1.22 -3.39 114.38 113.50 1ru3 h ARG 249 Ca 0.20 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1ru3 h ARG 249 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1ru3 h ARG 249 CO -0.14 0.74 -1.63 0.54 -1.07 0.00 0.00 179.97 178.40 1ru3 n ARG 250 N -3.24 1.82 -3.58 0.04 5.12 -0.43 -4.87 116.66 111.52 1ru3 n ARG 250 Ca -0.02 -0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.46 1ru3 n ARG 250 Cb 0.88 -1.26 -0.11 0.00 -1.16 0.00 0.00 32.46 30.82 1ru3 n ARG 250 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1ru3 s VAL 251 N -2.38 4.58 -1.33 1.55 -7.23 0.12 -4.37 120.40 111.35 1ru3 s VAL 251 Ca -0.05 -0.95 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 1ru3 s VAL 251 Cb 0.04 -3.60 0.11 0.00 0.56 0.00 0.00 36.38 33.49 1ru3 s VAL 251 CO 0.42 -0.30 1.89 0.18 -0.31 0.00 0.00 175.10 176.98 1ru3 n LEU 252 N 5.00 6.18 -4.59 1.32 4.77 -1.26 -4.60 117.00 123.82 1ru3 n LEU 252 Ca -0.12 -4.32 -0.32 0.00 -0.03 0.00 0.00 56.01 51.23 1ru3 n LEU 252 Cb 0.45 -1.61 -0.10 0.00 -2.33 0.00 0.00 43.42 39.83 1ru3 n LEU 252 CO 0.38 0.96 -0.39 0.00 -1.33 0.00 0.00 177.39 177.00 1ru3 s ALA 253 N 2.18 2.99 0.07 -1.18 0.00 -1.26 0.24 121.76 124.80 1ru3 s ALA 253 Ca 0.45 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 1ru3 s ALA 253 Cb 0.08 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 1ru3 s ALA 253 CO -0.01 0.62 0.18 -0.59 0.00 0.00 0.00 175.76 175.95 1ru3 s PHE 254 N -1.02 0.15 0.02 0.00 -0.12 -0.67 -4.22 117.98 112.12 1ru3 s PHE 254 Ca 0.17 -0.54 0.07 0.00 -0.05 0.00 0.00 56.93 56.58 1ru3 s PHE 254 Cb -0.11 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1ru3 s PHE 254 CO 0.08 -0.51 -0.19 0.54 -0.05 0.00 0.00 175.22 175.10 1ru3 s VAL 255 N -3.56 2.73 -0.35 -2.49 0.11 -0.12 -1.22 120.40 115.50 1ru3 s VAL 255 Ca 0.03 -1.09 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 1ru3 s VAL 255 Cb 0.04 -2.11 0.07 0.00 -1.53 0.00 0.00 36.38 32.85 1ru3 s VAL 255 CO -0.09 0.42 0.11 -0.76 -3.33 0.00 0.00 175.10 171.44 1ru3 s LEU 256 N -1.19 4.49 -1.09 2.54 1.43 0.04 -0.39 118.68 124.52 1ru3 s LEU 256 Ca 0.13 -1.45 -0.14 0.00 -1.03 0.00 0.00 54.13 51.65 1ru3 s LEU 256 Cb -0.10 -1.82 0.19 0.00 0.03 0.00 0.00 46.19 44.50 1ru3 s LEU 256 CO 0.03 -0.38 1.23 -0.47 0.23 0.00 0.00 176.35 176.99 1ru3 s TYR 257 N 1.29 3.65 -0.14 0.29 5.04 -1.09 -1.19 117.35 125.20 1ru3 s TYR 257 Ca 0.00 -2.12 -0.16 0.00 -2.44 0.00 0.00 57.07 52.35 1ru3 s TYR 257 Cb -0.21 -4.14 -0.04 0.00 0.35 0.00 0.00 41.96 37.92 1ru3 s TYR 257 CO -0.00 -1.26 0.40 -0.51 -1.34 0.00 0.00 175.55 172.83 1ru3 s LEU 258 N 0.94 4.26 0.00 6.97 1.43 -0.71 -2.33 118.68 129.24 1ru3 s LEU 258 Ca 0.35 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1ru3 s LEU 258 Cb -0.06 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1ru3 s LEU 258 CO -0.05 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ru3 n GLY 259 N 3.32 -0.55 3.76 -3.19 0.00 -0.75 0.15 105.19 107.93 1ru3 n GLY 259 Ca -0.09 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 1ru3 n GLY 259 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ru3 s GLU 260 N -0.20 4.50 -0.03 1.61 -1.05 -1.26 -4.39 118.70 117.88 1ru3 s GLU 260 Ca 0.00 1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 55.59 1ru3 s GLU 260 Cb 0.00 -3.32 -0.08 0.00 -0.44 0.00 0.00 34.13 30.30 1ru3 s GLU 260 CO 0.00 0.42 2.00 -1.01 0.95 0.00 0.00 175.26 177.62 1ru3 s HIS 261 N -0.54 1.29 0.15 4.83 3.76 -1.26 -5.02 115.29 118.51 1ru3 s HIS 261 Ca 0.37 -0.20 0.06 0.00 -0.15 0.00 0.00 55.06 55.14 1ru3 s HIS 261 Cb -0.21 -4.16 -0.04 0.00 1.11 0.00 0.00 32.58 29.28 1ru3 s HIS 261 CO 0.24 -5.14 0.04 0.16 -0.85 0.00 0.00 174.74 169.19 1ru3 s ASP 262 N 5.24 5.03 0.17 1.40 1.47 -1.26 -5.02 116.67 123.71 1ru3 s ASP 262 Ca 0.90 -0.27 -0.16 0.00 1.18 0.00 0.00 52.55 54.20 1ru3 s ASP 262 Cb -0.40 -1.17 0.11 0.00 -0.34 0.00 0.00 42.92 41.12 1ru3 s ASP 262 CO 0.39 0.10 1.70 0.00 0.68 0.00 0.00 175.17 178.04 1ru3 h MET 263 N 2.80 0.10 -0.05 2.11 -0.00 -1.95 -1.66 114.93 116.27 1ru3 h MET 263 Ca -0.47 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.70 59.13 1ru3 h MET 263 Cb 1.19 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.76 1ru3 h MET 263 CO 0.60 0.06 -0.38 -0.39 -0.00 0.00 0.00 176.91 176.80 1ru3 h VAL 264 N 0.10 1.29 -0.45 -0.10 -1.51 -1.91 0.92 116.25 114.59 1ru3 h VAL 264 Ca 0.20 -1.37 -0.10 0.00 -1.23 0.00 0.00 66.70 64.20 1ru3 h VAL 264 Cb 0.28 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 1ru3 h VAL 264 CO -0.33 0.40 -0.11 0.11 -1.23 0.00 0.00 177.57 176.41 1ru3 h LYS 265 N 0.09 0.82 -0.22 5.19 1.57 -1.85 -0.55 116.57 121.62 1ru3 h LYS 265 Ca 0.01 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 1ru3 h LYS 265 Cb 0.72 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1ru3 h LYS 265 CO 0.05 0.89 -0.14 1.15 -0.57 0.00 0.00 179.45 180.83 1ru3 h THR 266 N 0.74 1.31 -0.68 -0.16 2.02 -0.70 0.53 112.91 115.97 1ru3 h THR 266 Ca 0.12 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 1ru3 h THR 266 Cb 0.60 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1ru3 h THR 266 CO 0.04 0.38 0.34 0.00 0.37 0.00 0.00 175.52 176.65 1ru3 h ALA 267 N 0.69 1.32 -0.24 6.16 0.00 -0.59 -0.95 119.26 125.65 1ru3 h ALA 267 Ca 0.05 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1ru3 h ALA 267 Cb 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ru3 h ALA 267 CO 0.04 0.54 -0.46 0.00 0.00 0.00 0.00 179.25 179.37 1ru3 h ALA 268 N 1.42 0.74 -0.20 0.00 0.00 -0.91 -2.01 119.26 118.30 1ru3 h ALA 268 Ca 0.24 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ru3 h ALA 268 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ru3 h ALA 268 CO -0.03 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1ru3 h ALA 269 N 0.99 1.57 0.00 0.00 0.00 -0.20 -0.28 119.26 121.34 1ru3 h ALA 269 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ru3 h ALA 269 Cb 0.99 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ru3 h ALA 269 CO 0.09 0.32 -0.38 1.98 0.00 0.00 0.00 179.25 181.26 1ru3 h MET 270 N 0.28 0.00 0.00 0.00 -1.53 -0.59 -1.71 114.93 111.39 1ru3 h MET 270 Ca 0.06 0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.25 1ru3 h MET 270 Cb 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 1ru3 h MET 270 CO 0.01 0.38 -0.35 0.78 0.14 0.00 0.00 176.91 177.87 1ru3 h GLY 271 N 2.04 0.00 2.00 1.39 0.00 -0.36 -1.12 103.07 107.01 1ru3 h GLY 271 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ru3 h GLY 271 CO 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.45 1ru3 h ALA 272 N 1.65 0.92 -0.02 3.60 0.00 -0.92 -3.17 119.26 121.31 1ru3 h ALA 272 Ca -0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1ru3 h ALA 272 Cb 0.77 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ru3 h ALA 272 CO 0.05 0.18 -0.73 0.82 0.00 0.00 0.00 179.25 179.57 1ru3 h ILE 273 N 0.00 1.37 -0.31 0.00 2.04 -0.96 1.04 117.51 120.69 1ru3 h ILE 273 Ca -0.00 -2.08 0.09 0.00 1.00 0.00 0.00 64.86 63.86 1ru3 h ILE 273 Cb 1.05 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 1ru3 h ILE 273 CO 0.02 0.62 0.33 0.15 0.00 0.00 0.00 178.15 179.27 1ru3 h PHE 274 N 0.11 0.00 -0.36 1.37 3.04 -1.22 0.15 116.94 120.03 1ru3 h PHE 274 Ca -0.08 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 1ru3 h PHE 274 Cb 1.41 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.88 1ru3 h PHE 274 CO 0.13 0.00 0.03 -2.37 -2.02 0.00 0.00 178.31 174.07 1ru3 n THR 275 N -3.82 2.46 -1.25 4.41 5.66 -1.22 -4.97 114.28 115.54 1ru3 n THR 275 Ca 0.05 -1.96 -0.02 0.00 -3.05 0.00 0.00 64.05 59.07 1ru3 n THR 275 Cb 0.48 -0.28 -0.01 0.00 -1.55 0.00 0.00 70.33 68.97 1ru3 n THR 275 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ru3 n GLY 276 N -0.49 0.47 3.52 1.09 0.00 0.53 -4.12 105.19 106.18 1ru3 n GLY 276 Ca 0.26 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 1ru3 n GLY 276 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ru3 s PHE 277 N -2.07 3.14 0.56 1.61 0.08 0.36 -4.82 117.98 116.84 1ru3 s PHE 277 Ca 0.00 -0.22 -0.16 0.00 0.12 0.00 0.00 56.93 56.67 1ru3 s PHE 277 Cb 0.00 -2.16 -0.06 0.00 -0.57 0.00 0.00 43.02 40.24 1ru3 s PHE 277 CO 0.00 -0.14 1.02 -1.25 -0.10 0.00 0.00 175.22 174.75 1ru3 s PRO 278 N 1.06 3.64 -0.14 0.24 0.04 -1.26 -2.75 135.00 135.83 1ru3 s PRO 278 Ca 0.04 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 1ru3 s PRO 278 Cb -0.14 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1ru3 s PRO 278 CO 0.03 -0.54 -0.07 0.08 0.04 0.00 0.00 177.00 176.54 1ru3 s VAL 279 N -2.57 3.56 -0.28 -0.36 1.01 0.42 -0.94 120.40 121.24 1ru3 s VAL 279 Ca 0.61 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1ru3 s VAL 279 Cb -0.13 -2.53 0.08 0.00 0.00 0.00 0.00 36.38 33.80 1ru3 s VAL 279 CO 0.35 0.51 0.03 -0.63 0.00 0.00 0.00 175.10 175.36 1ru3 s ILE 280 N 0.29 1.32 0.13 2.22 1.01 0.48 -1.76 121.20 124.88 1ru3 s ILE 280 Ca -0.06 -1.44 0.02 0.00 0.00 0.00 0.00 60.65 59.17 1ru3 s ILE 280 Cb -0.15 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1ru3 s ILE 280 CO 0.04 -0.43 0.24 0.28 0.00 0.00 0.00 174.94 175.06 1ru3 s THR 281 N 1.43 5.19 0.05 2.92 -1.32 -0.35 -2.66 115.64 120.90 1ru3 s THR 281 Ca 0.04 -0.67 -0.36 0.00 -1.21 0.00 0.00 61.69 59.49 1ru3 s THR 281 Cb -0.18 -3.63 -0.20 0.00 -1.51 0.00 0.00 72.50 66.98 1ru3 s THR 281 CO -0.14 -0.03 1.51 -0.78 -2.21 0.00 0.00 174.62 172.97 1ru3 h ASP 282 N 2.47 -1.11 -2.35 8.08 1.82 -1.74 -2.72 116.42 120.86 1ru3 h ASP 282 Ca -0.47 0.04 -0.60 0.00 -0.39 0.00 0.00 57.03 55.60 1ru3 h ASP 282 Cb 1.19 0.29 0.15 0.00 0.68 0.00 0.00 39.33 41.63 1ru3 h ASP 282 CO 0.70 -0.78 -0.41 0.00 -1.61 0.00 0.00 179.24 177.14 1ru3 n GLN 283 N -5.63 0.56 -2.90 0.28 1.13 -1.26 -3.82 117.38 105.75 1ru3 n GLN 283 Ca -0.16 0.21 -0.41 0.00 -1.94 0.00 0.00 57.00 54.69 1ru3 n GLN 283 Cb 0.52 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 1ru3 n GLN 283 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1ru3 s PRO 284 N -1.58 4.43 -0.10 -1.09 0.02 -1.26 -4.56 135.00 130.85 1ru3 s PRO 284 Ca 0.63 1.09 -0.05 0.00 0.02 0.00 0.00 61.00 62.69 1ru3 s PRO 284 Cb -0.60 -3.49 -0.04 0.00 0.02 0.00 0.00 34.50 30.39 1ru3 s PRO 284 CO 0.58 -0.09 0.10 -0.51 -0.33 0.00 0.00 177.00 176.75 1ru3 s LEU 285 N 1.29 4.15 1.07 -5.54 1.43 -1.26 -5.09 118.68 114.72 1ru3 s LEU 285 Ca 0.42 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.73 1ru3 s LEU 285 Cb -0.18 -2.02 0.23 0.00 0.03 0.00 0.00 46.19 44.24 1ru3 s LEU 285 CO 0.19 0.39 1.14 -2.16 0.23 0.00 0.00 176.35 176.14 1ru3 s PRO 286 N -1.04 -0.16 0.36 1.29 0.04 -1.26 -4.92 135.00 129.31 1ru3 s PRO 286 Ca 0.15 0.08 0.27 0.00 0.04 0.00 0.00 61.00 61.54 1ru3 s PRO 286 Cb -0.12 -1.71 1.00 0.00 0.04 0.00 0.00 34.50 33.71 1ru3 s PRO 286 CO 0.04 -3.03 1.79 1.49 0.04 0.00 0.00 177.00 177.33 1ru3 h GLU 287 N -2.10 0.00 -0.59 4.56 4.81 -1.99 -3.17 114.58 116.11 1ru3 h GLU 287 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1ru3 h GLU 287 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1ru3 h GLU 287 CO 0.45 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.33 1ru3 n ASP 288 N -2.59 3.75 -2.66 1.04 5.75 -1.26 -4.00 116.55 116.57 1ru3 n ASP 288 Ca 0.02 -1.99 -0.19 0.00 -0.01 0.00 0.00 54.79 52.62 1ru3 n ASP 288 Cb 0.32 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1ru3 n ASP 288 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ru3 n LYS 289 N 1.57 2.32 -3.53 0.11 4.81 -1.20 -1.60 118.16 120.65 1ru3 n LYS 289 Ca 0.22 -3.97 -0.15 0.00 -0.87 0.00 0.00 58.31 53.54 1ru3 n LYS 289 Cb 0.61 -1.82 -0.05 0.00 0.02 0.00 0.00 35.03 33.79 1ru3 n LYS 289 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ru3 s GLN 290 N -3.28 1.08 -0.09 1.64 0.74 -1.26 -4.66 119.66 113.84 1ru3 s GLN 290 Ca 0.39 -0.05 -0.01 0.00 0.05 0.00 0.00 55.36 55.75 1ru3 s GLN 290 Cb 0.41 0.50 0.03 0.00 1.10 0.00 0.00 33.01 35.04 1ru3 s GLN 290 CO -0.09 -0.38 -0.03 0.42 -0.55 0.00 0.00 175.29 174.66 1ru3 s ILE 291 N -2.07 0.64 -0.12 -2.34 -1.09 -0.08 -4.60 121.20 111.54 1ru3 s ILE 291 Ca -0.07 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 1ru3 s ILE 291 Cb -0.01 -0.75 -0.06 0.00 -1.58 0.00 0.00 42.46 40.07 1ru3 s ILE 291 CO 0.02 0.30 2.01 -0.54 -1.23 0.00 0.00 174.94 175.49 1ru3 s LYS 292 N 1.86 3.64 0.00 2.79 1.02 -1.26 -2.01 119.74 125.78 1ru3 s LYS 292 Ca 0.05 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1ru3 s LYS 292 Cb -0.12 -4.23 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 1ru3 s LYS 292 CO -0.06 -1.52 0.00 -0.25 -0.92 0.00 0.00 175.35 172.60 1ru3 n ASP 293 N 9.50 -2.00 0.00 2.83 9.92 -1.26 -4.83 116.55 130.71 1ru3 n ASP 293 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1ru3 n ASP 293 Cb 0.44 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1ru3 n ASP 293 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1ru3 n TRP 294 N -2.67 0.00 -3.36 1.24 7.02 -0.85 -4.82 117.44 114.00 1ru3 n TRP 294 Ca 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.33 1ru3 n TRP 294 Cb 0.00 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.81 1ru3 n TRP 294 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1ru3 s PHE 295 N -1.18 -0.57 0.02 -5.99 5.36 -0.92 -0.43 117.98 114.27 1ru3 s PHE 295 Ca 0.00 -0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 55.71 1ru3 s PHE 295 Cb 0.00 -0.35 -0.02 0.00 -0.34 0.00 0.00 43.02 42.31 1ru3 s PHE 295 CO 0.00 -0.96 -0.02 0.96 -1.46 0.00 0.00 175.22 173.74 1ru3 s ILE 296 N 2.09 0.11 -0.08 3.12 -4.36 -0.72 -0.90 121.20 120.46 1ru3 s ILE 296 Ca 0.12 -0.89 -0.05 0.00 -0.26 0.00 0.00 60.65 59.56 1ru3 s ILE 296 Cb -0.14 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.27 1ru3 s ILE 296 CO -0.22 -0.49 0.15 -0.94 0.24 0.00 0.00 174.94 173.67 1ru3 s SER 297 N -1.45 6.33 -0.40 4.36 1.04 -1.26 -1.22 113.70 121.11 1ru3 s SER 297 Ca -0.16 0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1ru3 s SER 297 Cb -0.10 -2.02 0.17 0.00 0.10 0.00 0.00 66.02 64.17 1ru3 s SER 297 CO -0.01 0.36 0.47 -1.61 0.98 0.00 0.00 173.24 173.43 1ru3 s GLU 298 N -1.35 0.75 0.54 4.02 2.02 -1.03 -4.95 118.70 118.69 1ru3 s GLU 298 Ca 0.19 -0.81 0.26 0.00 0.02 0.00 0.00 54.97 54.63 1ru3 s GLU 298 Cb -0.12 -0.50 1.52 0.00 0.10 0.00 0.00 34.13 35.13 1ru3 s GLU 298 CO 0.09 -1.22 2.13 -1.35 0.02 0.00 0.00 175.26 174.93 1ru3 h PRO 299 N 6.76 0.00 -6.40 0.39 0.11 -1.78 -3.39 132.00 127.69 1ru3 h PRO 299 Ca 0.07 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.62 1ru3 h PRO 299 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1ru3 h PRO 299 CO 0.17 0.08 1.14 0.34 -0.21 0.00 0.00 178.00 179.52 1ru3 s ASP 300 N -6.29 6.11 0.00 -2.05 2.15 -1.26 -4.83 116.67 110.49 1ru3 s ASP 300 Ca -0.04 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.66 1ru3 s ASP 300 Cb 0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1ru3 s ASP 300 CO 0.59 -1.64 0.00 -1.22 -0.17 0.00 0.00 175.17 172.73 1ru3 n TYR 301 N 9.63 0.00 0.28 -5.34 4.02 -1.26 0.93 117.16 125.42 1ru3 n TYR 301 Ca 0.17 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.10 1ru3 n TYR 301 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.76 1ru3 n TYR 301 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1ru3 n ASP 302 N -0.27 1.03 0.00 7.72 9.92 -1.26 -4.79 116.55 128.90 1ru3 n ASP 302 Ca 0.00 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 1ru3 n ASP 302 Cb 0.00 1.09 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 1ru3 n ASP 302 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ru3 n LYS 303 N -1.32 0.00 0.00 -1.24 5.02 0.26 -4.71 118.16 116.17 1ru3 n LYS 303 Ca 0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1ru3 n LYS 303 Cb 0.14 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1ru3 n LYS 303 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ru3 n ILE 304 N -1.91 0.00 0.00 -0.18 -0.00 -1.16 -0.04 119.36 116.07 1ru3 n ILE 304 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1ru3 n ILE 304 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1ru3 n ILE 304 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1ru3 n VAL 305 N -0.06 0.00 -0.23 1.39 0.31 -1.26 0.52 118.33 118.99 1ru3 n VAL 305 Ca 0.00 1.45 0.18 0.00 -0.01 0.00 0.00 64.34 65.96 1ru3 n VAL 305 Cb 0.00 -1.95 0.51 0.00 -0.91 0.00 0.00 33.84 31.49 1ru3 n VAL 305 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ru3 h GLN 306 N 0.00 0.39 0.00 5.55 4.15 -0.74 0.94 115.11 125.40 1ru3 h GLN 306 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1ru3 h GLN 306 Cb 0.00 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 1ru3 h GLN 306 CO 0.00 0.26 -0.16 1.15 -1.93 0.00 0.00 178.83 178.15 1ru3 h THR 307 N 0.41 0.40 0.10 2.39 2.02 0.15 -2.21 112.91 116.16 1ru3 h THR 307 Ca 0.45 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1ru3 h THR 307 Cb 1.11 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1ru3 h THR 307 CO -0.16 0.16 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 1ru3 h ALA 308 N 1.84 -0.20 -0.82 6.16 0.00 0.26 -2.06 119.26 124.44 1ru3 h ALA 308 Ca -0.00 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.15 1ru3 h ALA 308 Cb 0.71 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 1ru3 h ALA 308 CO 0.02 -0.19 0.17 1.28 0.00 0.00 0.00 179.25 180.53 1ru3 n LEU 309 N -3.75 0.04 -0.02 0.00 4.32 -0.93 0.69 117.00 117.35 1ru3 n LEU 309 Ca -0.02 1.39 -0.13 0.00 -0.02 0.00 0.00 56.01 57.23 1ru3 n LEU 309 Cb 0.05 -0.57 -0.09 0.00 -1.62 0.00 0.00 43.42 41.19 1ru3 n LEU 309 CO 0.04 -1.46 0.64 -0.33 -1.22 0.00 0.00 177.39 175.06 1ru3 h GLU 310 N 0.00 0.07 0.00 3.23 5.08 -1.44 0.54 114.58 122.05 1ru3 h GLU 310 Ca 0.57 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.83 1ru3 h GLU 310 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1ru3 h GLU 310 CO -0.72 0.52 -0.32 -0.39 -1.00 0.00 0.00 179.01 177.10 1ru3 h VAL 311 N -0.39 1.09 0.51 3.13 -1.51 0.10 -2.95 116.25 116.23 1ru3 h VAL 311 Ca 0.00 -1.14 -0.02 0.00 -1.23 0.00 0.00 66.70 64.31 1ru3 h VAL 311 Cb 0.51 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1ru3 h VAL 311 CO 0.01 0.31 -0.24 -0.09 -1.23 0.00 0.00 177.57 176.32 1ru3 h ARG 312 N 0.00 -0.65 0.00 5.19 9.65 -0.56 -3.47 114.38 124.53 1ru3 h ARG 312 Ca -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1ru3 h ARG 312 Cb 0.61 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1ru3 h ARG 312 CO 0.04 -0.44 0.00 0.41 2.80 0.00 0.00 179.97 182.79 1ru3 n GLY 313 N -0.00 -0.15 3.64 2.80 0.00 -0.21 -5.09 105.19 106.17 1ru3 n GLY 313 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1ru3 n GLY 313 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ru3 s ILE 314 N -0.52 4.09 -0.33 -0.61 1.01 0.17 -4.98 121.20 120.03 1ru3 s ILE 314 Ca 0.00 1.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.88 1ru3 s ILE 314 Cb 0.00 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1ru3 s ILE 314 CO 0.00 -0.33 0.05 -0.54 0.00 0.00 0.00 174.94 174.13 1ru3 s LYS 315 N 4.05 2.35 -0.23 2.79 1.02 -1.26 -4.36 119.74 124.10 1ru3 s LYS 315 Ca 0.59 -1.37 -0.19 0.00 0.02 0.00 0.00 55.97 55.01 1ru3 s LYS 315 Cb -0.20 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.88 1ru3 s LYS 315 CO 0.22 -0.72 0.60 0.96 -0.92 0.00 0.00 175.35 175.49 1ru3 s ILE 316 N 1.24 -0.00 -0.00 2.17 -0.00 -1.26 -5.12 121.20 118.23 1ru3 s ILE 316 Ca -0.02 0.01 0.07 0.00 -0.00 0.00 0.00 60.65 60.71 1ru3 s ILE 316 Cb -0.20 -0.84 -0.02 0.00 -0.00 0.00 0.00 42.46 41.40 1ru3 s ILE 316 CO -0.01 0.00 -0.22 -0.89 -0.00 0.00 0.00 174.94 173.82 1ru3 s THR 317 N 0.53 1.74 0.33 8.37 2.01 -1.26 -5.14 115.64 122.23 1ru3 s THR 317 Ca -0.02 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.03 1ru3 s THR 317 Cb -0.05 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1ru3 s THR 317 CO -0.02 0.43 0.48 -0.55 -0.69 0.00 0.00 174.62 174.26 1ru3 s SER 318 N -0.68 6.01 0.29 3.53 0.15 -1.26 -4.88 113.70 116.86 1ru3 s SER 318 Ca 0.08 -0.09 0.11 0.00 0.70 0.00 0.00 55.95 56.75 1ru3 s SER 318 Cb -0.09 -1.36 -0.05 0.00 -1.71 0.00 0.00 66.02 62.81 1ru3 s SER 318 CO -0.00 -0.41 -0.10 -0.51 1.20 0.00 0.00 173.24 173.42 1ru3 s ILE 319 N -2.19 2.78 -0.45 6.45 1.10 -1.26 -5.00 121.20 122.64 1ru3 s ILE 319 Ca 0.44 -2.17 0.06 0.00 -0.51 0.00 0.00 60.65 58.47 1ru3 s ILE 319 Cb -0.09 -2.58 0.21 0.00 0.15 0.00 0.00 42.46 40.15 1ru3 s ILE 319 CO 0.32 -0.34 0.47 0.47 -2.11 0.00 0.00 174.94 173.74 1ru3 n ASP 320 N -0.77 0.44 -4.41 4.50 8.00 -1.26 -5.06 116.55 117.98 1ru3 n ASP 320 Ca -0.05 -2.67 -0.44 0.00 0.71 0.00 0.00 54.79 52.34 1ru3 n ASP 320 Cb 0.60 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1ru3 n ASP 320 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1ru3 s ILE 321 N -0.82 4.61 -0.18 0.53 -0.00 -1.26 -5.01 121.20 119.07 1ru3 s ILE 321 Ca 0.34 -0.75 -0.29 0.00 -0.00 0.00 0.00 60.65 59.94 1ru3 s ILE 321 Cb 0.10 -4.58 -0.01 0.00 -0.00 0.00 0.00 42.46 37.97 1ru3 s ILE 321 CO -0.14 -1.28 1.20 -0.62 -0.00 0.00 0.00 174.94 174.10 1ru3 s ASP 322 N 3.64 6.99 0.27 4.36 2.15 -1.26 -4.98 116.67 127.84 1ru3 s ASP 322 Ca 0.17 1.62 0.04 0.00 0.43 0.00 0.00 52.55 54.81 1ru3 s ASP 322 Cb -0.20 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.82 1ru3 s ASP 322 CO 0.07 -0.73 0.01 -0.76 -0.17 0.00 0.00 175.17 173.59 1ru3 s LEU 323 N 3.36 2.23 0.00 -1.34 1.43 -1.26 -5.03 118.68 118.08 1ru3 s LEU 323 Ca 0.52 -1.27 0.19 0.00 -1.03 0.00 0.00 54.13 52.54 1ru3 s LEU 323 Cb -0.20 -0.38 0.84 0.00 0.03 0.00 0.00 46.19 46.48 1ru3 s LEU 323 CO 0.13 -0.51 1.58 -0.81 0.23 0.00 0.00 176.35 176.96 1ru3 n PRO 324 N -0.54 1.45 -4.13 1.29 -0.04 -1.26 -4.89 135.00 126.87 1ru3 n PRO 324 Ca -0.04 -0.67 -0.09 0.00 -0.04 0.00 0.00 63.50 62.66 1ru3 n PRO 324 Cb 0.65 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1ru3 n PRO 324 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ru3 s ILE 325 N -1.86 0.44 0.61 0.52 -4.36 -1.26 -4.53 121.20 110.76 1ru3 s ILE 325 Ca 0.29 -1.87 -0.19 0.00 -0.26 0.00 0.00 60.65 58.62 1ru3 s ILE 325 Cb 0.15 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1ru3 s ILE 325 CO 0.23 -0.92 1.26 0.20 0.24 0.00 0.00 174.94 175.95 1ru3 s ASN 326 N -2.98 4.92 -0.10 4.36 0.01 -1.26 -4.83 114.94 115.06 1ru3 s ASN 326 Ca 0.10 2.53 -0.06 0.00 -0.71 0.00 0.00 52.86 54.72 1ru3 s ASN 326 Cb 0.07 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.15 1ru3 s ASN 326 CO -0.07 -1.78 0.24 0.12 -1.51 0.00 0.00 177.10 174.10 1ru3 s PHE 327 N -1.47 -0.30 0.00 2.20 2.19 -1.26 0.20 117.98 119.54 1ru3 s PHE 327 Ca 0.79 0.73 0.00 0.00 0.33 0.00 0.00 56.93 58.78 1ru3 s PHE 327 Cb -0.35 0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.43 1ru3 s PHE 327 CO 0.37 -0.19 0.00 0.41 1.83 0.00 0.00 175.22 177.64 1ru3 n GLY 328 N 3.75 1.89 0.27 13.12 0.00 -1.03 -4.94 105.19 118.25 1ru3 n GLY 328 Ca -0.21 -1.16 0.15 0.00 0.00 0.00 0.00 46.02 44.80 1ru3 n GLY 328 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ru3 h PRO 329 N 0.00 0.00 0.00 1.61 0.11 -1.92 -2.99 132.00 128.81 1ru3 h PRO 329 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ru3 h PRO 329 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ru3 h PRO 329 CO 0.00 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 177.85 1ru3 n ALA 330 N -2.13 1.70 -0.49 -0.75 0.00 -1.26 -1.25 120.51 116.33 1ru3 n ALA 330 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1ru3 n ALA 330 Cb 0.32 -1.16 0.27 0.00 0.00 0.00 0.00 19.45 18.88 1ru3 n ALA 330 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ru3 n PHE 331 N -1.19 0.96 -2.12 0.00 3.72 -1.13 -4.96 117.46 112.74 1ru3 n PHE 331 Ca 0.06 -0.60 -0.27 0.00 -0.05 0.00 0.00 57.45 56.59 1ru3 n PHE 331 Cb 0.06 -0.14 0.11 0.00 -0.94 0.00 0.00 39.48 38.58 1ru3 n PHE 331 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1ru3 s GLU 332 N -1.57 1.62 0.00 -1.08 2.12 -0.38 -3.92 118.70 115.48 1ru3 s GLU 332 Ca 0.40 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1ru3 s GLU 332 Cb 0.25 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1ru3 s GLU 332 CO 0.20 -1.69 0.00 0.41 -0.54 0.00 0.00 175.26 173.65 1ru3 n GLY 333 N -3.24 0.00 3.73 -1.50 0.00 -1.26 -4.90 105.19 98.02 1ru3 n GLY 333 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ru3 n GLY 333 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ru3 s GLU 334 N -1.51 4.61 0.31 1.61 2.12 -1.25 -5.03 118.70 119.56 1ru3 s GLU 334 Ca 0.00 1.61 0.05 0.00 0.36 0.00 0.00 54.97 56.98 1ru3 s GLU 334 Cb 0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 1ru3 s GLU 334 CO 0.00 0.08 0.46 -1.12 -0.54 0.00 0.00 175.26 174.14 1ru3 s SER 335 N 0.14 6.13 -0.38 -1.70 0.01 -1.26 -4.73 113.70 111.91 1ru3 s SER 335 Ca 0.50 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.81 1ru3 s SER 335 Cb -0.27 -1.60 0.15 0.00 0.21 0.00 0.00 66.02 64.51 1ru3 s SER 335 CO 0.32 -0.30 0.25 -0.63 0.41 0.00 0.00 173.24 173.28 1ru3 s ILE 336 N -2.16 0.41 1.22 1.44 1.01 -1.26 -5.04 121.20 116.83 1ru3 s ILE 336 Ca 0.40 -2.08 -0.17 0.00 0.00 0.00 0.00 60.65 58.80 1ru3 s ILE 336 Cb -0.09 -1.30 0.26 0.00 0.01 0.00 0.00 42.46 41.33 1ru3 s ILE 336 CO 0.32 -1.03 0.65 0.54 0.00 0.00 0.00 174.94 175.41 1ru3 n ARG 337 N 3.67 -2.80 -0.01 2.79 1.74 -1.26 -4.53 116.66 116.25 1ru3 n ARG 337 Ca 0.16 -0.81 0.10 0.00 -0.77 0.00 0.00 57.85 56.53 1ru3 n ARG 337 Cb 0.39 -1.92 0.54 0.00 -1.02 0.00 0.00 32.46 30.45 1ru3 n ARG 337 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ru3 n LYS 338 N -4.11 1.14 -0.18 5.56 4.81 -1.26 -0.65 118.16 123.47 1ru3 n LYS 338 Ca 0.04 -0.21 0.08 0.00 -0.87 0.00 0.00 58.31 57.35 1ru3 n LYS 338 Cb 0.56 -1.33 0.18 0.00 0.02 0.00 0.00 35.03 34.46 1ru3 n LYS 338 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ru3 n GLY 339 N 0.87 1.94 0.00 3.14 0.00 -1.26 -4.50 105.19 105.38 1ru3 n GLY 339 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ru3 n GLY 339 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ru3 n ASP 340 N 0.94 0.00 -4.69 1.61 9.92 -1.14 -5.08 116.55 118.12 1ru3 n ASP 340 Ca 0.15 0.00 -0.57 0.00 -0.53 0.00 0.00 54.79 53.84 1ru3 n ASP 340 Cb 0.47 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.88 1ru3 n ASP 340 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1ru3 n MET 341 N -0.48 1.12 -0.05 -1.24 0.00 0.18 -1.27 117.12 115.37 1ru3 n MET 341 Ca 0.00 0.41 -0.02 0.00 -0.00 0.00 0.00 57.70 58.09 1ru3 n MET 341 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 33.22 31.13 1ru3 n MET 341 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1ru3 h HIS 342 N 6.58 0.00 -3.07 1.12 2.76 0.13 -3.34 115.15 119.33 1ru3 h HIS 342 Ca -0.47 0.00 -0.42 0.00 -2.20 0.00 0.00 60.37 57.28 1ru3 h HIS 342 Cb 1.32 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.14 1ru3 h HIS 342 CO 0.73 0.11 -0.65 0.08 -1.30 0.00 0.00 177.93 176.91 1ru3 s VAL 343 N -1.64 1.20 -0.03 5.26 1.01 -1.11 0.25 120.40 125.35 1ru3 s VAL 343 Ca -0.02 -2.05 0.01 0.00 0.00 0.00 0.00 61.98 59.92 1ru3 s VAL 343 Cb -0.00 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ru3 s VAL 343 CO 0.08 -0.24 -0.03 -0.70 0.00 0.00 0.00 175.10 174.21 1ru3 s GLU 344 N -3.84 0.51 -0.00 2.72 2.12 -0.61 -2.34 118.70 117.26 1ru3 s GLU 344 Ca 0.31 -0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.66 1ru3 s GLU 344 Cb 0.06 -0.57 -0.02 0.00 0.26 0.00 0.00 34.13 33.85 1ru3 s GLU 344 CO 0.11 -0.05 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.48 1ru3 s PHE 345 N 0.67 2.13 0.00 5.30 0.08 -0.27 -2.85 117.98 123.04 1ru3 s PHE 345 Ca -0.08 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.57 1ru3 s PHE 345 Cb -0.11 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 1ru3 s PHE 345 CO -0.01 0.00 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 1ru3 n GLY 346 N 2.31 1.29 7.00 4.36 0.00 -1.26 0.10 105.19 118.99 1ru3 n GLY 346 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ru3 n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru3 n GLY 347 N 0.00 -1.27 1.32 -0.02 0.00 -0.99 -1.58 105.19 102.65 1ru3 n GLY 347 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1ru3 n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru3 n GLY 348 N 0.00 2.49 0.24 -0.02 0.00 -1.26 -4.11 105.19 102.52 1ru3 n GLY 348 Ca 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 1ru3 n GLY 348 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ru3 n LYS 349 N 0.20 0.44 -4.25 1.61 5.02 -1.17 -5.09 118.16 114.91 1ru3 n LYS 349 Ca 0.18 0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.48 1ru3 n LYS 349 Cb 0.83 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.45 1ru3 n LYS 349 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ru3 s THR 350 N -2.36 0.39 -0.53 -0.18 -4.23 -0.62 -5.00 115.64 103.11 1ru3 s THR 350 Ca -0.26 -1.98 -0.28 0.00 -1.18 0.00 0.00 61.69 57.99 1ru3 s THR 350 Cb 0.08 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1ru3 s THR 350 CO 0.39 -0.18 1.55 -2.16 -0.54 0.00 0.00 174.62 173.68 1ru3 s PRO 351 N -4.04 3.20 0.45 3.99 0.04 -1.26 -4.09 135.00 133.29 1ru3 s PRO 351 Ca 0.33 0.66 0.06 0.00 0.04 0.00 0.00 61.00 62.08 1ru3 s PRO 351 Cb 0.07 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1ru3 s PRO 351 CO 0.09 -2.05 0.14 -1.54 0.04 0.00 0.00 177.00 173.68 1ru3 s SER 352 N 5.33 4.29 0.00 6.66 1.04 -1.26 -2.00 113.70 127.75 1ru3 s SER 352 Ca 0.60 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1ru3 s SER 352 Cb -0.13 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1ru3 s SER 352 CO 0.26 -0.66 0.00 2.22 0.98 0.00 0.00 173.24 176.04 1ru3 n PHE 353 N -1.26 0.00 -3.97 5.02 1.16 -1.23 -4.46 117.46 112.73 1ru3 n PHE 353 Ca -0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.44 1ru3 n PHE 353 Cb 0.65 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.43 1ru3 n PHE 353 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1ru3 s GLU 354 N -2.00 0.63 -0.18 3.97 -1.05 -1.25 -2.87 118.70 115.94 1ru3 s GLU 354 Ca 0.00 -0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 53.62 1ru3 s GLU 354 Cb 0.00 0.24 0.09 0.00 -0.44 0.00 0.00 34.13 34.02 1ru3 s GLU 354 CO 0.00 -0.15 0.83 -1.17 0.95 0.00 0.00 175.26 175.72 1ru3 s LEU 355 N -2.46 -0.58 -0.25 1.83 2.96 -0.59 -4.78 118.68 114.81 1ru3 s LEU 355 Ca -0.00 0.90 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 1ru3 s LEU 355 Cb 0.02 2.24 0.06 0.00 0.50 0.00 0.00 46.19 49.01 1ru3 s LEU 355 CO -0.07 -0.36 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.81 1ru3 s VAL 356 N -0.42 2.01 0.34 1.68 1.01 -1.26 -0.45 120.40 123.30 1ru3 s VAL 356 Ca -0.03 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.55 1ru3 s VAL 356 Cb -0.03 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1ru3 s VAL 356 CO 0.02 0.01 0.39 -0.13 0.00 0.00 0.00 175.10 175.39 1ru3 s ARG 357 N 1.19 2.91 -0.19 2.72 0.52 0.91 -4.85 118.95 122.15 1ru3 s ARG 357 Ca -0.07 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1ru3 s ARG 357 Cb -0.19 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.65 1ru3 s ARG 357 CO -0.06 0.06 -0.17 1.41 0.02 0.00 0.00 175.30 176.56 1ru3 s MET 358 N -4.09 2.99 0.36 3.54 -2.45 -1.26 -0.24 119.30 118.15 1ru3 s MET 358 Ca 0.44 -0.84 0.07 0.00 -1.25 0.00 0.00 55.69 54.11 1ru3 s MET 358 Cb -0.08 -2.67 -0.07 0.00 1.25 0.00 0.00 34.83 33.26 1ru3 s MET 358 CO 0.29 -0.24 -0.02 0.14 1.05 0.00 0.00 175.02 176.24 1ru3 s VAL 359 N 1.31 1.91 1.13 10.11 -7.23 0.38 -4.90 120.40 123.10 1ru3 s VAL 359 Ca 0.04 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 57.95 1ru3 s VAL 359 Cb -0.14 -2.80 0.27 0.00 0.56 0.00 0.00 36.38 34.27 1ru3 s VAL 359 CO -0.11 -0.10 1.20 -0.83 -0.31 0.00 0.00 175.10 174.96 1ru3 s GLY 360 N -3.62 1.67 -0.08 2.32 0.00 -1.26 -4.17 107.32 102.19 1ru3 s GLY 360 Ca 0.34 -1.12 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 1ru3 s GLY 360 CO 0.16 -0.25 0.73 -0.56 0.00 0.00 0.00 173.10 173.19 1ru3 h PRO 361 N -2.29 -0.13 -0.97 2.90 0.13 -1.96 -3.35 132.00 126.32 1ru3 h PRO 361 Ca -0.44 0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.08 1ru3 h PRO 361 Cb 1.26 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1ru3 h PRO 361 CO 0.32 0.34 0.57 -0.40 -0.23 0.00 0.00 178.00 178.60 1ru3 n ASP 362 N -4.84 0.25 -1.49 1.44 5.75 -1.26 -1.45 116.55 114.96 1ru3 n ASP 362 Ca -0.07 1.32 0.05 0.00 -0.01 0.00 0.00 54.79 56.08 1ru3 n ASP 362 Cb 0.27 -0.65 0.29 0.00 -1.03 0.00 0.00 41.12 40.00 1ru3 n ASP 362 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1ru3 n GLU 363 N -4.72 3.76 -3.98 0.11 0.28 -1.26 -4.92 120.64 109.90 1ru3 n GLU 363 Ca 0.33 -2.26 -0.16 0.00 -0.16 0.00 0.00 57.16 54.91 1ru3 n GLU 363 Cb 1.18 -2.03 -0.16 0.00 1.43 0.00 0.00 31.44 31.86 1ru3 n GLU 363 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1ru3 s ILE 364 N -2.23 0.22 -0.66 3.84 2.07 -0.53 -5.01 121.20 118.90 1ru3 s ILE 364 Ca 0.39 -0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.47 1ru3 s ILE 364 Cb 0.30 -0.27 0.15 0.00 0.13 0.00 0.00 42.46 42.76 1ru3 s ILE 364 CO 0.12 0.12 0.68 -1.61 -1.91 0.00 0.00 174.94 172.34 1ru3 s GLU 365 N 0.65 3.22 -0.09 3.50 0.41 -1.26 -5.03 118.70 120.10 1ru3 s GLU 365 Ca -0.07 -1.81 -0.35 0.00 -0.41 0.00 0.00 54.97 52.34 1ru3 s GLU 365 Cb -0.10 -4.37 -0.13 0.00 -1.78 0.00 0.00 34.13 27.76 1ru3 s GLU 365 CO -0.01 -1.41 1.82 -3.47 -0.49 0.00 0.00 175.26 171.69 1ru3 n ASP 366 N 5.31 3.21 0.00 -0.19 2.03 -1.26 -0.72 116.55 124.93 1ru3 n ASP 366 Ca -0.02 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.29 1ru3 n ASP 366 Cb 0.43 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1ru3 n ASP 366 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ru3 n GLY 367 N 4.23 0.69 3.61 0.27 0.00 -0.99 -4.98 105.19 108.02 1ru3 n GLY 367 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1ru3 n GLY 367 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ru3 s LYS 368 N -0.76 3.75 0.17 1.61 2.20 0.10 -4.97 119.74 121.83 1ru3 s LYS 368 Ca 0.00 0.82 0.08 0.00 -0.36 0.00 0.00 55.97 56.51 1ru3 s LYS 368 Cb 0.00 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1ru3 s LYS 368 CO 0.00 -1.34 -0.06 0.54 -0.36 0.00 0.00 175.35 174.13 1ru3 s VAL 369 N 4.61 3.42 -0.20 4.02 0.11 -1.26 -3.39 120.40 127.71 1ru3 s VAL 369 Ca 0.52 -1.52 -0.12 0.00 -2.93 0.00 0.00 61.98 57.93 1ru3 s VAL 369 Cb -0.11 -2.69 0.06 0.00 -1.53 0.00 0.00 36.38 32.11 1ru3 s VAL 369 CO 0.29 -0.08 0.49 -1.61 -3.33 0.00 0.00 175.10 170.86 1ru3 s GLU 370 N -2.79 0.50 -0.46 1.54 2.02 -0.92 -5.00 118.70 113.59 1ru3 s GLU 370 Ca 0.25 0.88 -0.06 0.00 0.02 0.00 0.00 54.97 56.06 1ru3 s GLU 370 Cb -0.09 0.07 0.12 0.00 0.10 0.00 0.00 34.13 34.32 1ru3 s GLU 370 CO 0.16 -0.14 0.29 0.08 0.02 0.00 0.00 175.26 175.67 1ru3 s VAL 371 N 1.26 3.77 -0.94 2.63 1.01 -1.26 -1.53 120.40 125.34 1ru3 s VAL 371 Ca -0.08 -1.99 -0.21 0.00 0.00 0.00 0.00 61.98 59.70 1ru3 s VAL 371 Cb -0.07 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1ru3 s VAL 371 CO -0.12 -0.75 1.28 -0.63 0.00 0.00 0.00 175.10 174.88 1ru3 s ILE 372 N 1.16 4.26 -3.49 2.22 -1.09 -1.22 -4.84 121.20 118.21 1ru3 s ILE 372 Ca 0.08 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1ru3 s ILE 372 Cb -0.24 -4.92 0.00 0.00 -1.58 0.00 0.00 42.46 35.72 1ru3 s ILE 372 CO -0.03 -1.73 0.00 0.61 -1.23 0.00 0.00 174.94 172.56 1ru3 n GLY 373 N 6.14 0.78 3.60 6.18 0.00 -1.26 -3.55 105.19 117.08 1ru3 n GLY 373 Ca 0.25 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1ru3 n GLY 373 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ru3 s PRO 374 N -1.37 3.27 0.00 1.61 0.04 -1.26 -4.88 135.00 132.41 1ru3 s PRO 374 Ca 0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1ru3 s PRO 374 Cb 0.00 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1ru3 s PRO 374 CO 0.00 -1.94 0.00 -3.47 0.04 0.00 0.00 177.00 171.63 1ru3 n ASP 375 N 10.66 0.00 0.14 6.66 -0.08 -1.26 -4.74 116.55 127.93 1ru3 n ASP 375 Ca 0.24 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.53 1ru3 n ASP 375 Cb 0.47 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.10 1ru3 n ASP 375 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1ru3 h ILE 376 N -0.72 1.20 0.00 5.18 6.09 -1.94 -3.18 117.51 124.13 1ru3 h ILE 376 Ca 0.00 -2.10 -0.14 0.00 -1.37 0.00 0.00 64.86 61.25 1ru3 h ILE 376 Cb 0.00 2.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.47 1ru3 h ILE 376 CO 0.00 0.56 -0.65 -2.24 -3.07 0.00 0.00 178.15 172.74 1ru3 h ASP 377 N 0.00 0.00 -0.11 2.19 2.03 -1.90 -3.33 116.42 115.30 1ru3 h ASP 377 Ca -0.01 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1ru3 h ASP 377 Cb 1.16 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.59 1ru3 h ASP 377 CO 0.07 0.65 -0.22 -1.20 -1.03 0.00 0.00 179.24 177.52 1ru3 n SER 378 N -3.27 5.41 -3.58 4.15 7.64 -1.20 -4.85 113.62 117.92 1ru3 n SER 378 Ca 0.01 -2.55 -0.16 0.00 1.01 0.00 0.00 58.87 57.18 1ru3 n SER 378 Cb 0.80 -1.34 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 1ru3 n SER 378 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ru3 s VAL 379 N 0.41 0.00 0.06 0.44 0.11 -1.25 -4.76 120.40 115.41 1ru3 s VAL 379 Ca 0.52 -0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 59.24 1ru3 s VAL 379 Cb 0.26 -0.96 -0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1ru3 s VAL 379 CO -0.02 -0.02 1.28 -1.61 -3.33 0.00 0.00 175.10 171.40 1ru3 s GLU 380 N -0.67 4.37 0.11 1.54 0.41 -1.26 -4.95 118.70 118.26 1ru3 s GLU 380 Ca -0.07 1.87 -0.35 0.00 -0.41 0.00 0.00 54.97 56.00 1ru3 s GLU 380 Cb -0.02 -3.37 -0.15 0.00 -1.78 0.00 0.00 34.13 28.81 1ru3 s GLU 380 CO 0.07 -0.37 1.45 -0.35 -0.49 0.00 0.00 175.26 175.57 1ru3 n PRO 381 N 4.23 1.60 -2.06 0.39 -0.04 -1.26 0.21 135.00 138.08 1ru3 n PRO 381 Ca 0.10 0.58 -0.02 0.00 -0.04 0.00 0.00 63.50 64.12 1ru3 n PRO 381 Cb 0.45 -2.28 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1ru3 n PRO 381 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ru3 n GLY 382 N 2.95 0.32 3.91 0.55 0.00 0.69 -5.03 105.19 108.58 1ru3 n GLY 382 Ca 0.18 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1ru3 n GLY 382 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ru3 s GLY 383 N -2.93 2.17 0.62 -0.02 0.00 0.13 -4.94 107.32 102.36 1ru3 s GLY 383 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1ru3 s GLY 383 CO 0.00 -0.84 0.86 0.50 0.00 0.00 0.00 173.10 173.63 1ru3 s ARG 384 N -2.51 2.10 0.00 2.90 0.52 -1.26 -1.57 118.95 119.13 1ru3 s ARG 384 Ca 0.35 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 1ru3 s ARG 384 Cb -0.13 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1ru3 s ARG 384 CO 0.28 -1.05 0.00 -0.11 0.02 0.00 0.00 175.30 174.43 1ru3 n LEU 385 N -2.49 0.00 -4.76 2.53 7.94 -1.13 -4.85 117.00 114.24 1ru3 n LEU 385 Ca 0.14 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.72 1ru3 n LEU 385 Cb 0.61 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.64 1ru3 n LEU 385 CO 0.42 0.00 0.71 -2.16 -1.11 0.00 0.00 177.39 175.25 1ru3 s PRO 386 N -0.69 2.27 0.03 1.96 0.04 -1.25 -4.32 135.00 133.04 1ru3 s PRO 386 Ca 0.00 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 1ru3 s PRO 386 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1ru3 s PRO 386 CO 0.00 -1.65 0.37 0.96 0.04 0.00 0.00 177.00 176.72 1ru3 s ILE 387 N -2.73 0.06 -0.29 0.56 -5.25 -0.85 -3.22 121.20 109.49 1ru3 s ILE 387 Ca 0.63 -0.52 0.03 0.00 -0.99 0.00 0.00 60.65 59.80 1ru3 s ILE 387 Cb -0.19 -0.90 0.17 0.00 2.95 0.00 0.00 42.46 44.50 1ru3 s ILE 387 CO 0.53 -0.29 0.46 -0.83 -1.79 0.00 0.00 174.94 173.02 1ru3 s GLY 388 N -1.90 -0.78 -0.55 6.27 0.00 -1.05 -3.51 107.32 105.80 1ru3 s GLY 388 Ca -0.07 0.46 -0.19 0.00 0.00 0.00 0.00 44.72 44.92 1ru3 s GLY 388 CO -0.01 3.24 0.68 -0.42 0.00 0.00 0.00 173.10 176.59 1ru3 s ILE 389 N 2.63 4.81 -0.33 0.90 1.01 -1.14 -2.83 121.20 126.26 1ru3 s ILE 389 Ca 0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1ru3 s ILE 389 Cb -0.12 -4.40 0.01 0.00 0.01 0.00 0.00 42.46 37.96 1ru3 s ILE 389 CO -0.29 -0.97 0.16 0.68 0.00 0.00 0.00 174.94 174.52 1ru3 s VAL 390 N 2.76 4.51 -0.38 2.92 -7.23 -1.18 -1.55 120.40 120.26 1ru3 s VAL 390 Ca 0.14 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.58 1ru3 s VAL 390 Cb -0.21 -3.37 0.01 0.00 0.56 0.00 0.00 36.38 33.37 1ru3 s VAL 390 CO 0.10 -0.03 0.27 -0.69 -0.31 0.00 0.00 175.10 174.44 1ru3 s VAL 391 N 1.58 5.16 -0.16 1.32 1.01 0.40 -2.57 120.40 127.15 1ru3 s VAL 391 Ca 0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1ru3 s VAL 391 Cb -0.18 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1ru3 s VAL 391 CO 0.06 -0.20 0.26 -1.81 0.00 0.00 0.00 175.10 173.41 1ru3 s ASP 392 N 1.68 6.40 0.13 3.32 1.01 -0.46 -0.07 116.67 128.68 1ru3 s ASP 392 Ca 0.05 0.46 0.09 0.00 0.71 0.00 0.00 52.55 53.86 1ru3 s ASP 392 Cb -0.18 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1ru3 s ASP 392 CO 0.10 0.13 -0.21 -0.63 0.21 0.00 0.00 175.17 174.77 1ru3 s ILE 393 N 0.36 1.84 -0.04 0.77 1.09 0.66 -2.24 121.20 123.63 1ru3 s ILE 393 Ca 0.15 -1.72 -0.05 0.00 -1.10 0.00 0.00 60.65 57.93 1ru3 s ILE 393 Cb -0.13 -1.73 0.01 0.00 -1.06 0.00 0.00 42.46 39.56 1ru3 s ILE 393 CO 0.03 -0.14 0.13 -0.47 -0.10 0.00 0.00 174.94 174.39 1ru3 s TYR 394 N -1.49 -0.12 -0.13 3.97 5.04 -1.07 0.14 117.35 123.69 1ru3 s TYR 394 Ca 0.11 0.29 -0.30 0.00 -2.44 0.00 0.00 57.07 54.73 1ru3 s TYR 394 Cb -0.08 0.04 0.11 0.00 0.35 0.00 0.00 41.96 42.37 1ru3 s TYR 394 CO 0.06 -0.08 0.90 0.20 -1.34 0.00 0.00 175.55 175.28 1ru3 s GLY 395 N -0.06 -0.36 0.00 8.97 0.00 -1.26 -1.20 107.32 113.41 1ru3 s GLY 395 Ca -0.01 1.82 0.00 0.00 0.00 0.00 0.00 44.72 46.52 1ru3 s GLY 395 CO 0.00 1.03 0.75 0.54 0.00 0.00 0.00 173.10 175.42 1ru3 n ARG 396 N 0.82 0.00 0.00 2.90 1.74 -1.26 -2.74 116.66 118.12 1ru3 n ARG 396 Ca -0.13 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1ru3 n ARG 396 Cb 0.58 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1ru3 n ARG 396 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ru3 n LYS 397 N -1.49 0.72 -1.02 5.56 5.02 -1.26 -4.89 118.16 120.79 1ru3 n LYS 397 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1ru3 n LYS 397 Cb 0.00 -1.15 0.16 0.00 -0.02 0.00 0.00 35.03 34.02 1ru3 n LYS 397 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ru3 s MET 398 N -1.58 0.86 -0.02 1.97 1.75 -1.08 -4.79 119.30 116.41 1ru3 s MET 398 Ca 0.00 0.93 -0.15 0.00 -1.25 0.00 0.00 55.69 55.22 1ru3 s MET 398 Cb 0.00 -1.75 0.02 0.00 2.84 0.00 0.00 34.83 35.94 1ru3 s MET 398 CO 0.00 -2.54 0.31 -0.65 -0.65 0.00 0.00 175.02 171.49 1ru3 s GLN 399 N -4.81 0.66 0.29 4.11 -0.21 -1.26 -4.98 119.66 113.46 1ru3 s GLN 399 Ca 0.65 -0.17 -0.01 0.00 0.02 0.00 0.00 55.36 55.84 1ru3 s GLN 399 Cb -0.20 0.29 0.43 0.00 1.00 0.00 0.00 33.01 34.54 1ru3 s GLN 399 CO 0.58 -0.18 1.87 1.49 -2.12 0.00 0.00 175.29 176.93 1ru3 h GLU 400 N 3.92 0.87 -0.98 2.91 4.81 -1.98 -2.27 114.58 121.86 1ru3 h GLU 400 Ca -0.30 -0.14 0.27 0.00 -0.13 0.00 0.00 59.36 59.07 1ru3 h GLU 400 Cb 1.18 -0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.27 1ru3 h GLU 400 CO 0.40 0.72 0.54 -0.44 -0.73 0.00 0.00 179.01 179.50 1ru3 h ASP 401 N 0.86 0.54 1.18 1.04 3.32 -2.03 -0.14 116.42 121.19 1ru3 h ASP 401 Ca 0.20 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1ru3 h ASP 401 Cb 0.18 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1ru3 h ASP 401 CO -0.02 -0.01 0.00 0.49 -1.72 0.00 0.00 179.24 177.98 1ru3 n PHE 402 N -4.98 0.71 -0.18 4.55 3.72 -0.85 -4.17 117.46 116.24 1ru3 n PHE 402 Ca 0.28 0.22 -0.08 0.00 -0.05 0.00 0.00 57.45 57.82 1ru3 n PHE 402 Cb 0.82 -0.86 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1ru3 n PHE 402 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ru3 h GLU 403 N 0.00 -0.24 -0.84 -1.08 5.08 -1.07 -1.46 114.58 114.97 1ru3 h GLU 403 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1ru3 h GLU 403 Cb 0.59 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1ru3 h GLU 403 CO 0.00 -0.16 0.54 -1.35 -1.00 0.00 0.00 179.01 177.04 1ru3 h PRO 404 N -0.25 1.01 0.00 2.33 0.11 -1.78 -0.13 132.00 133.28 1ru3 h PRO 404 Ca 0.17 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ru3 h PRO 404 Cb 0.57 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1ru3 h PRO 404 CO -0.65 0.67 0.00 0.28 -0.21 0.00 0.00 178.00 178.08 1ru3 h VAL 405 N 1.04 0.00 0.00 3.15 2.07 -1.54 -2.78 116.25 118.18 1ru3 h VAL 405 Ca 0.34 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1ru3 h VAL 405 Cb 0.02 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ru3 h VAL 405 CO -0.12 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.28 1ru3 h LEU 406 N 0.00 0.00 -1.69 2.57 3.38 -0.19 -3.39 115.31 115.99 1ru3 h LEU 406 Ca 0.00 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.48 1ru3 h LEU 406 Cb 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 1ru3 h LEU 406 CO 0.00 0.22 1.12 -0.08 0.09 0.00 0.00 178.44 179.79 1ru3 h GLU 407 N -0.32 0.02 -0.30 1.13 4.81 -1.26 1.68 114.58 120.34 1ru3 h GLU 407 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1ru3 h GLU 407 Cb 0.12 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1ru3 h GLU 407 CO 0.00 0.01 0.21 -0.09 -0.73 0.00 0.00 179.01 178.41 1ru3 h ARG 408 N 0.02 0.13 0.00 1.92 2.43 -1.68 -1.73 114.38 115.47 1ru3 h ARG 408 Ca 0.88 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.05 1ru3 h ARG 408 Cb 3.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 32.70 1ru3 h ARG 408 CO -0.24 0.09 0.00 0.00 -1.51 0.00 0.00 179.97 178.31 1ru3 h ARG 409 N 0.13 0.00 0.23 0.20 2.47 0.23 -3.32 114.38 114.33 1ru3 h ARG 409 Ca 0.14 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1ru3 h ARG 409 Cb 0.38 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 1ru3 h ARG 409 CO -0.02 0.00 -0.37 0.82 0.56 0.00 0.00 179.97 180.96 1ru3 h ILE 410 N 0.00 0.24 -0.82 2.04 2.04 -1.46 1.00 117.51 120.55 1ru3 h ILE 410 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1ru3 h ILE 410 Cb 0.29 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 36.49 1ru3 h ILE 410 CO 0.00 0.00 0.33 -0.74 0.00 0.00 0.00 178.15 177.74 1ru3 h HIS 411 N -0.67 0.56 0.09 1.37 2.76 -1.80 0.66 115.15 118.11 1ru3 h HIS 411 Ca 0.00 0.04 -0.27 0.00 -2.20 0.00 0.00 60.37 57.94 1ru3 h HIS 411 Cb 0.66 -0.12 0.02 0.00 1.55 0.00 0.00 27.41 29.51 1ru3 h HIS 411 CO -0.28 0.01 -1.16 1.88 -1.30 0.00 0.00 177.93 177.09 1ru3 h TYR 412 N 0.43 0.80 0.39 5.26 0.05 -1.68 -1.93 116.97 120.29 1ru3 h TYR 412 Ca 0.48 -0.50 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1ru3 h TYR 412 Cb 0.81 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1ru3 h TYR 412 CO -0.16 1.35 -0.19 0.74 -1.05 0.00 0.00 178.16 178.85 1ru3 h PHE 413 N 0.23 -0.48 -0.65 4.88 0.04 0.17 -3.17 116.94 117.95 1ru3 h PHE 413 Ca -0.15 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.76 1ru3 h PHE 413 Cb 1.83 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 40.11 1ru3 h PHE 413 CO 0.09 -0.16 0.45 1.15 -0.60 0.00 0.00 178.31 179.24 1ru3 h THR 414 N -0.91 0.77 0.00 -1.55 2.02 0.21 -0.32 112.91 113.13 1ru3 h THR 414 Ca -0.05 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ru3 h THR 414 Cb 0.55 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ru3 h THR 414 CO 0.09 0.04 0.00 -3.20 0.37 0.00 0.00 175.52 172.82 1ru3 n ASN 415 N -4.43 0.00 0.00 4.18 2.85 -0.72 -4.01 115.26 113.13 1ru3 n ASN 415 Ca 0.12 0.48 -0.13 0.00 -0.11 0.00 0.00 54.58 54.94 1ru3 n ASN 415 Cb 0.56 -0.49 -0.09 0.00 1.24 0.00 0.00 39.78 41.00 1ru3 n ASN 415 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1ru3 h TYR 416 N 0.00 0.01 -3.96 1.20 0.05 -1.02 -3.01 116.97 110.23 1ru3 h TYR 416 Ca 0.00 -0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1ru3 h TYR 416 Cb 0.46 -0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.29 1ru3 h TYR 416 CO 0.00 0.33 0.65 0.20 -1.05 0.00 0.00 178.16 178.28 1ru3 s GLY 417 N -2.85 2.92 0.08 3.88 0.00 -1.26 -2.45 107.32 107.65 1ru3 s GLY 417 Ca -0.15 1.32 -0.30 0.00 0.00 0.00 0.00 44.72 45.59 1ru3 s GLY 417 CO 0.67 1.91 1.02 1.85 0.00 0.00 0.00 173.10 178.56 1ru3 s GLU 418 N -2.32 4.60 0.00 2.90 2.12 0.13 -2.99 118.70 123.14 1ru3 s GLU 418 Ca 0.58 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.45 1ru3 s GLU 418 Cb -0.40 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1ru3 s GLU 418 CO 0.52 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 1ru3 n GLY 419 N 2.56 0.77 3.41 -1.50 0.00 -1.26 -4.55 105.19 104.62 1ru3 n GLY 419 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1ru3 n GLY 419 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ru3 s PHE 420 N -2.00 2.02 -0.27 1.61 0.08 -1.16 -1.15 117.98 117.11 1ru3 s PHE 420 Ca 0.00 -0.45 -0.25 0.00 0.12 0.00 0.00 56.93 56.35 1ru3 s PHE 420 Cb 0.00 -0.90 0.07 0.00 -0.57 0.00 0.00 43.02 41.62 1ru3 s PHE 420 CO 0.00 0.54 0.72 -0.46 -0.10 0.00 0.00 175.22 175.93 1ru3 s TRP 421 N -2.73 -0.79 0.05 0.36 -0.00 -0.91 -4.73 118.94 110.18 1ru3 s TRP 421 Ca 0.27 1.92 0.03 0.00 -0.00 0.00 0.00 56.10 58.31 1ru3 s TRP 421 Cb -0.03 0.28 -0.03 0.00 -0.00 0.00 0.00 33.47 33.70 1ru3 s TRP 421 CO 0.11 -0.38 -0.09 -1.58 -0.00 0.00 0.00 176.95 175.01 1ru3 s HIS 422 N 0.41 0.78 0.13 5.86 5.65 -1.26 -2.04 115.29 124.82 1ru3 s HIS 422 Ca -0.00 -0.50 -0.09 0.00 0.25 0.00 0.00 55.06 54.73 1ru3 s HIS 422 Cb -0.05 -0.46 -0.01 0.00 -1.18 0.00 0.00 32.58 30.88 1ru3 s HIS 422 CO 0.00 -0.06 0.24 0.99 -0.65 0.00 0.00 174.74 175.27 1ru3 s THR 423 N -1.38 0.10 0.00 0.89 2.01 0.23 -4.95 115.64 112.53 1ru3 s THR 423 Ca -0.08 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1ru3 s THR 423 Cb -0.10 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.76 1ru3 s THR 423 CO 0.01 -0.44 0.00 0.00 -0.69 0.00 0.00 174.62 173.50 1ru3 n ALA 424 N -0.15 0.00 -1.71 7.40 0.00 -1.26 -0.80 120.51 123.99 1ru3 n ALA 424 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ru3 n ALA 424 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1ru3 n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ru3 n GLN 425 N -0.11 0.00 0.00 0.00 10.64 -1.26 -4.77 117.38 121.87 1ru3 n GLN 425 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ru3 n GLN 425 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1ru3 n GLN 425 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ru3 n ARG 426 N 0.00 0.00 0.00 2.61 1.74 -1.26 -4.17 116.66 115.58 1ru3 n ARG 426 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ru3 n ARG 426 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ru3 n ARG 426 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ru3 n ASP 427 N 0.00 0.94 0.00 0.55 5.75 -1.26 -1.49 116.55 121.04 1ru3 n ASP 427 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1ru3 n ASP 427 Cb 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1ru3 n ASP 427 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ru3 n LEU 428 N 0.63 1.22 -4.74 -2.12 4.32 -1.26 -4.70 117.00 110.35 1ru3 n LEU 428 Ca 0.00 -1.22 -0.42 0.00 -0.02 0.00 0.00 56.01 54.36 1ru3 n LEU 428 Cb 0.17 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.95 1ru3 n LEU 428 CO 0.00 0.30 1.21 0.42 -1.22 0.00 0.00 177.39 178.10 1ru3 s THR 429 N -0.28 2.40 -0.25 -5.08 -4.23 -0.56 -4.30 115.64 103.34 1ru3 s THR 429 Ca 0.00 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1ru3 s THR 429 Cb 0.00 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.68 1ru3 s THR 429 CO 0.00 0.04 -0.10 0.86 -0.54 0.00 0.00 174.62 174.88 1ru3 s TRP 430 N 0.43 3.15 0.29 3.99 -0.00 0.02 -2.34 118.94 124.47 1ru3 s TRP 430 Ca 0.65 -2.01 0.10 0.00 -0.00 0.00 0.00 56.10 54.84 1ru3 s TRP 430 Cb -0.45 -1.98 -0.05 0.00 -0.00 0.00 0.00 33.47 31.00 1ru3 s TRP 430 CO 0.40 -0.83 -0.04 0.08 -0.00 0.00 0.00 176.95 176.56 1ru3 s VAL 431 N 1.20 3.05 -0.21 5.86 1.01 0.11 0.77 120.40 132.20 1ru3 s VAL 431 Ca -0.04 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 59.65 1ru3 s VAL 431 Cb -0.18 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.55 1ru3 s VAL 431 CO -0.06 -0.34 0.69 -0.13 0.00 0.00 0.00 175.10 175.26 1ru3 s ARG 432 N -3.65 0.87 -0.04 2.72 0.52 -0.86 -1.11 118.95 117.39 1ru3 s ARG 432 Ca 0.32 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.34 1ru3 s ARG 432 Cb -0.05 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.85 1ru3 s ARG 432 CO 0.19 -0.16 -0.13 0.96 0.02 0.00 0.00 175.30 176.18 1ru3 s ILE 433 N -0.04 1.14 0.45 1.52 -5.25 -0.99 -2.15 121.20 115.88 1ru3 s ILE 433 Ca -0.03 -0.55 -0.15 0.00 -0.99 0.00 0.00 60.65 58.93 1ru3 s ILE 433 Cb -0.04 -0.99 -0.08 0.00 2.95 0.00 0.00 42.46 44.30 1ru3 s ILE 433 CO 0.03 0.34 0.89 -0.94 -1.79 0.00 0.00 174.94 173.47 1ru3 s SER 434 N 0.17 6.66 0.27 4.36 1.04 -0.30 0.16 113.70 126.06 1ru3 s SER 434 Ca -0.05 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.80 1ru3 s SER 434 Cb -0.11 -2.44 0.47 0.00 0.10 0.00 0.00 66.02 64.03 1ru3 s SER 434 CO 0.02 -0.45 1.84 0.11 0.98 0.00 0.00 173.24 175.73 1ru3 h LYS 435 N 1.32 0.95 -0.96 4.02 1.57 -1.48 0.17 116.57 122.16 1ru3 h LYS 435 Ca -0.47 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1ru3 h LYS 435 Cb 1.18 -0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.20 1ru3 h LYS 435 CO 0.63 0.63 0.61 0.93 -0.57 0.00 0.00 179.45 181.67 1ru3 h GLU 436 N 0.97 0.84 0.00 3.15 4.39 -1.94 0.22 114.58 122.21 1ru3 h GLU 436 Ca 0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1ru3 h GLU 436 Cb 0.37 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ru3 h GLU 436 CO -0.24 0.55 0.00 0.00 -1.16 0.00 0.00 179.01 178.17 1ru3 n ALA 437 N -2.38 -0.21 -0.50 3.43 0.00 0.56 -1.86 120.51 119.54 1ru3 n ALA 437 Ca 0.19 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.06 1ru3 n ALA 437 Cb 0.41 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.61 1ru3 n ALA 437 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ru3 h PHE 438 N 0.00 0.00 -0.32 0.00 3.57 -1.35 0.24 116.94 119.08 1ru3 h PHE 438 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1ru3 h PHE 438 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1ru3 h PHE 438 CO 0.10 0.00 -0.05 0.00 -2.23 0.00 0.00 178.31 176.13 1ru3 h ALA 439 N 1.06 0.43 0.00 2.41 0.00 -0.29 -2.88 119.26 119.99 1ru3 h ALA 439 Ca 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ru3 h ALA 439 Cb 3.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.83 1ru3 h ALA 439 CO -0.01 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1ru3 n LYS 440 N -4.49 0.99 0.00 0.00 5.02 0.82 -4.80 118.16 115.70 1ru3 n LYS 440 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1ru3 n LYS 440 Cb 0.31 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1ru3 n LYS 440 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ru3 n GLY 441 N 0.69 1.15 3.61 0.72 0.00 -1.09 -4.70 105.19 105.56 1ru3 n GLY 441 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1ru3 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru3 s ALA 442 N -2.00 3.38 -0.05 4.61 0.00 -1.16 -4.60 121.76 121.94 1ru3 s ALA 442 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1ru3 s ALA 442 Cb 0.00 -3.67 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 1ru3 s ALA 442 CO 0.00 -1.72 -0.17 1.03 0.00 0.00 0.00 175.76 174.89 1ru3 s ARG 443 N 3.76 1.87 0.38 0.00 1.81 -1.26 -4.56 118.95 120.96 1ru3 s ARG 443 Ca 0.43 -0.62 0.32 0.00 -1.72 0.00 0.00 55.73 54.14 1ru3 s ARG 443 Cb -0.11 -1.61 1.10 0.00 -0.45 0.00 0.00 34.95 33.89 1ru3 s ARG 443 CO 0.21 0.23 1.02 1.28 -0.68 0.00 0.00 175.30 177.36 1ru3 n LEU 444 N 3.20 0.00 0.11 2.53 7.99 -1.26 0.18 117.00 129.75 1ru3 n LEU 444 Ca -0.18 0.65 0.12 0.00 -0.01 0.00 0.00 56.01 56.58 1ru3 n LEU 444 Cb 0.53 -0.31 0.46 0.00 -0.11 0.00 0.00 43.42 43.98 1ru3 n LEU 444 CO 0.25 -0.65 0.85 1.17 -1.51 0.00 0.00 177.39 177.51 1ru3 n LYS 445 N -3.21 0.18 0.18 3.23 4.81 -1.26 -2.78 118.16 119.31 1ru3 n LYS 445 Ca 0.28 0.35 0.07 0.00 -0.87 0.00 0.00 58.31 58.14 1ru3 n LYS 445 Cb 1.32 -1.81 0.09 0.00 0.02 0.00 0.00 35.03 34.66 1ru3 n LYS 445 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ru3 h HIS 446 N 0.00 0.00 0.00 5.64 3.86 0.15 -2.95 115.15 121.85 1ru3 h HIS 446 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1ru3 h HIS 446 Cb 0.43 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1ru3 h HIS 446 CO 0.00 0.26 -0.36 -0.07 0.86 0.00 0.00 177.93 178.62 1ru3 h LEU 447 N 0.00 0.00 -0.26 2.43 3.38 -1.68 -1.20 115.31 117.99 1ru3 h LEU 447 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ru3 h LEU 447 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ru3 h LEU 447 CO 0.03 0.36 0.00 1.23 0.09 0.00 0.00 178.44 180.15 1ru3 h GLY 448 N 2.21 0.00 0.00 0.83 0.00 -1.62 -2.94 103.07 101.54 1ru3 h GLY 448 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1ru3 h GLY 448 CO 0.05 0.00 -1.80 -1.06 0.00 0.00 0.00 176.54 173.72 1ru3 n GLN 449 N -2.32 0.57 -0.28 4.80 1.13 -0.78 -2.72 117.38 117.78 1ru3 n GLN 449 Ca 0.04 0.44 0.07 0.00 -1.94 0.00 0.00 57.00 55.62 1ru3 n GLN 449 Cb 0.37 -1.64 0.22 0.00 0.11 0.00 0.00 30.24 29.30 1ru3 n GLN 449 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ru3 h LEU 450 N -1.00 0.38 0.00 1.08 4.07 -1.35 -2.09 115.31 116.41 1ru3 h LEU 450 Ca -0.50 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1ru3 h LEU 450 Cb 1.43 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.24 1ru3 h LEU 450 CO -0.30 0.14 0.00 0.18 -1.08 0.00 0.00 178.44 177.37 1ru3 n LEU 451 N -4.96 0.05 -0.33 1.67 4.32 -1.11 -2.53 117.00 114.12 1ru3 n LEU 451 Ca 0.16 0.84 0.19 0.00 -0.02 0.00 0.00 56.01 57.17 1ru3 n LEU 451 Cb 0.46 -0.47 0.39 0.00 -1.62 0.00 0.00 43.42 42.18 1ru3 n LEU 451 CO 0.19 -0.47 1.08 0.22 -1.22 0.00 0.00 177.39 177.19 1ru3 h TYR 452 N 0.00 0.80 0.00 -1.77 5.03 -1.55 -2.19 116.97 117.29 1ru3 h TYR 452 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1ru3 h TYR 452 Cb 0.00 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.08 1ru3 h TYR 452 CO 0.16 -0.10 0.00 0.00 -1.32 0.00 0.00 178.16 176.89 1ru3 n ALA 453 N -2.41 -0.12 0.11 1.82 0.00 -0.79 -2.50 120.51 116.62 1ru3 n ALA 453 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 1ru3 n ALA 453 Cb 0.82 0.31 -0.08 0.00 0.00 0.00 0.00 19.45 20.49 1ru3 n ALA 453 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ru3 h LYS 454 N 0.00 -0.67 -1.30 0.00 1.79 -1.11 -1.92 116.57 113.36 1ru3 h LYS 454 Ca 0.00 0.05 0.42 0.00 -2.18 0.00 0.00 60.65 58.93 1ru3 h LYS 454 Cb 0.00 0.15 -0.12 0.00 -1.58 0.00 0.00 32.23 30.68 1ru3 h LYS 454 CO 0.00 -0.44 0.84 0.74 -1.08 0.00 0.00 179.45 179.51 1ru3 h PHE 455 N -0.69 0.51 0.00 -1.35 0.04 -1.49 1.30 116.94 115.26 1ru3 h PHE 455 Ca 0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1ru3 h PHE 455 Cb 0.72 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1ru3 h PHE 455 CO -0.42 -0.17 -0.29 0.87 -0.60 0.00 0.00 178.31 177.70 1ru3 h LYS 456 N 0.12 0.00 0.10 1.51 1.57 -1.06 -3.12 116.57 115.69 1ru3 h LYS 456 Ca 0.79 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 59.32 1ru3 h LYS 456 Cb 2.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.78 1ru3 h LYS 456 CO -0.39 0.00 -1.28 0.37 -0.57 0.00 0.00 179.45 177.59 1ru3 h GLN 457 N 0.00 0.22 -0.24 3.15 4.15 0.20 -3.38 115.11 119.21 1ru3 h GLN 457 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1ru3 h GLN 457 Cb 0.98 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1ru3 h GLN 457 CO 0.00 1.18 0.00 0.39 -1.93 0.00 0.00 178.83 178.47 1ru3 n GLU 458 N -4.01 1.72 -2.93 1.69 1.02 0.15 -4.34 120.64 113.94 1ru3 n GLU 458 Ca -0.24 -1.10 -0.13 0.00 -0.02 0.00 0.00 57.16 55.68 1ru3 n GLU 458 Cb 0.86 -1.32 0.03 0.00 -0.02 0.00 0.00 31.44 30.99 1ru3 n GLU 458 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ru3 n PHE 459 N 0.35 -1.09 -1.18 -0.32 3.72 -1.18 -5.04 117.46 112.73 1ru3 n PHE 459 Ca 0.13 -2.93 -0.19 0.00 -0.05 0.00 0.00 57.45 54.42 1ru3 n PHE 459 Cb 0.29 0.52 -0.12 0.00 -0.94 0.00 0.00 39.48 39.23 1ru3 n PHE 459 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ru3 n PRO 460 N 0.20 2.33 0.00 -1.08 -0.04 -1.26 -2.42 135.00 132.73 1ru3 n PRO 460 Ca 0.14 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1ru3 n PRO 460 Cb 0.71 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1ru3 n PRO 460 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ru3 n SER 461 N 2.16 0.00 0.00 3.54 3.41 -1.26 -4.92 113.62 116.56 1ru3 n SER 461 Ca 0.48 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ru3 n SER 461 Cb 0.75 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1ru3 n SER 461 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ru3 n ILE 462 N 0.00 0.00 -4.78 -1.33 -5.35 -1.24 -4.49 119.36 102.17 1ru3 n ILE 462 Ca 0.00 -0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.15 1ru3 n ILE 462 Cb 0.13 0.09 -0.14 0.00 -1.74 0.00 0.00 39.64 37.98 1ru3 n ILE 462 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ru3 s VAL 463 N -0.04 3.06 -0.09 7.28 1.01 -1.02 -2.62 120.40 127.98 1ru3 s VAL 463 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1ru3 s VAL 463 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1ru3 s VAL 463 CO 0.00 0.53 -0.10 0.47 0.00 0.00 0.00 175.10 176.00 1ru3 n ASP 464 N 3.43 2.42 -4.08 3.32 8.00 -0.34 -4.72 116.55 124.58 1ru3 n ASP 464 Ca -0.18 0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.16 1ru3 n ASP 464 Cb 0.53 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 1ru3 n ASP 464 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ru3 s ARG 465 N -2.18 0.67 -0.01 -1.24 0.52 -0.69 -5.03 118.95 110.99 1ru3 s ARG 465 Ca -0.13 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1ru3 s ARG 465 Cb 0.04 -0.58 0.01 0.00 0.52 0.00 0.00 34.95 34.94 1ru3 s ARG 465 CO 0.20 0.13 0.01 0.08 0.02 0.00 0.00 175.30 175.74 1ru3 s VAL 466 N -1.00 0.02 -0.05 3.52 1.01 -1.26 -2.61 120.40 120.03 1ru3 s VAL 466 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1ru3 s VAL 466 Cb -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 36.38 36.26 1ru3 s VAL 466 CO 0.01 0.05 0.03 -1.58 0.00 0.00 0.00 175.10 173.60 1ru3 s GLN 467 N 0.41 0.21 0.11 2.72 0.74 -0.95 -2.33 119.66 120.56 1ru3 s GLN 467 Ca -0.03 0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.65 1ru3 s GLN 467 Cb -0.05 -0.66 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 1ru3 s GLN 467 CO -0.01 -0.29 0.13 0.08 -0.55 0.00 0.00 175.29 174.65 1ru3 s VAL 468 N 1.91 4.70 -0.34 1.34 1.01 -1.22 -1.35 120.40 126.46 1ru3 s VAL 468 Ca 0.03 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ru3 s VAL 468 Cb -0.12 -3.33 0.17 0.00 0.00 0.00 0.00 36.38 33.10 1ru3 s VAL 468 CO -0.04 0.04 0.47 -0.89 0.00 0.00 0.00 175.10 174.68 1ru3 s THR 469 N -1.54 -0.67 1.21 3.92 2.01 -1.06 -2.18 115.64 117.32 1ru3 s THR 469 Ca 0.31 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.75 1ru3 s THR 469 Cb -0.12 -0.70 0.29 0.00 0.01 0.00 0.00 72.50 71.98 1ru3 s THR 469 CO 0.24 -0.27 1.05 -0.63 -0.69 0.00 0.00 174.62 174.31 1ru3 s ILE 470 N 2.14 1.67 -0.38 1.82 -1.09 -0.58 -3.09 121.20 121.69 1ru3 s ILE 470 Ca 0.13 0.00 0.07 0.00 -2.23 0.00 0.00 60.65 58.62 1ru3 s ILE 470 Cb -0.11 -2.32 0.18 0.00 -1.58 0.00 0.00 42.46 38.64 1ru3 s ILE 470 CO -0.18 0.00 0.61 -0.31 -1.23 0.00 0.00 174.94 173.83 1ru3 s TYR 471 N -2.73 -1.69 -2.26 3.97 2.02 -1.13 -3.39 117.35 112.14 1ru3 s TYR 471 Ca 0.69 0.39 0.20 0.00 -0.37 0.00 0.00 57.07 57.98 1ru3 s TYR 471 Cb -0.15 0.28 0.56 0.00 -0.40 0.00 0.00 41.96 42.25 1ru3 s TYR 471 CO 0.58 -1.15 1.45 0.25 -1.57 0.00 0.00 175.55 175.12 1ru3 n THR 472 N 4.64 0.42 -3.00 -0.71 -2.24 -1.20 -2.07 114.28 110.13 1ru3 n THR 472 Ca 0.10 -0.55 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 1ru3 n THR 472 Cb 0.56 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1ru3 n THR 472 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ru3 s ASP 473 N -1.38 6.98 0.00 3.42 -1.08 -1.23 -3.83 116.67 119.54 1ru3 s ASP 473 Ca 0.34 1.18 0.11 0.00 -0.52 0.00 0.00 52.55 53.67 1ru3 s ASP 473 Cb 0.19 -2.43 0.48 0.00 -1.46 0.00 0.00 42.92 39.70 1ru3 s ASP 473 CO 0.27 -0.20 1.35 1.21 0.52 0.00 0.00 175.17 178.32 1ru3 n GLU 474 N 4.20 0.00 -0.05 4.34 2.13 -1.26 -2.44 120.64 127.56 1ru3 n GLU 474 Ca 0.00 0.31 -0.18 0.00 0.66 0.00 0.00 57.16 57.95 1ru3 n GLU 474 Cb 0.51 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.59 1ru3 n GLU 474 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1ru3 h GLN 475 N 0.00 0.08 -0.27 5.31 1.08 -1.98 -3.34 115.11 115.99 1ru3 h GLN 475 Ca 0.00 -0.13 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 1ru3 h GLN 475 Cb 0.19 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1ru3 h GLN 475 CO 0.00 1.06 -0.32 0.87 -0.95 0.00 0.00 178.83 179.50 1ru3 h LYS 476 N -0.80 0.56 -0.60 1.46 1.79 -1.91 -3.17 116.57 113.89 1ru3 h LYS 476 Ca -0.17 -0.25 -0.07 0.00 -2.18 0.00 0.00 60.65 57.98 1ru3 h LYS 476 Cb 1.29 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 1ru3 h LYS 476 CO -0.03 0.81 0.08 0.28 -1.08 0.00 0.00 179.45 179.51 1ru3 h VAL 477 N 0.48 1.25 0.00 0.50 2.07 -1.66 -2.15 116.25 116.74 1ru3 h VAL 477 Ca 0.06 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1ru3 h VAL 477 Cb 0.79 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ru3 h VAL 477 CO 0.06 0.37 -0.08 -0.07 0.02 0.00 0.00 177.57 177.88 1ru3 h LEU 478 N 0.93 0.00 0.06 2.57 3.38 -1.68 -2.59 115.31 117.98 1ru3 h LEU 478 Ca 0.18 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.85 1ru3 h LEU 478 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ru3 h LEU 478 CO 0.01 0.08 -1.64 -0.08 0.09 0.00 0.00 178.44 176.90 1ru3 h GLU 479 N 0.00 0.14 -0.62 1.13 4.81 -1.50 -3.35 114.58 115.19 1ru3 h GLU 479 Ca -0.00 -0.23 -0.23 0.00 -0.13 0.00 0.00 59.36 58.77 1ru3 h GLU 479 Cb 0.95 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.28 1ru3 h GLU 479 CO 0.01 0.89 0.22 1.28 -0.73 0.00 0.00 179.01 180.68 1ru3 n LEU 480 N -3.29 5.42 -0.00 1.64 4.77 -0.82 -3.59 117.00 121.12 1ru3 n LEU 480 Ca -0.18 -3.39 0.05 0.00 -0.03 0.00 0.00 56.01 52.46 1ru3 n LEU 480 Cb 1.04 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1ru3 n LEU 480 CO 0.47 0.94 -0.30 -1.14 -1.33 0.00 0.00 177.39 176.03 1ru3 n ARG 481 N -0.62 2.25 -0.10 3.23 0.63 -0.98 -4.15 116.66 116.93 1ru3 n ARG 481 Ca 0.40 -0.04 -0.10 0.00 -0.92 0.00 0.00 57.85 57.19 1ru3 n ARG 481 Cb 1.28 -1.07 -0.16 0.00 0.45 0.00 0.00 32.46 32.97 1ru3 n ARG 481 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1ru3 n GLU 482 N -1.50 0.77 0.09 -0.14 0.00 -1.24 -3.14 120.64 115.47 1ru3 n GLU 482 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 57.16 57.10 1ru3 n GLU 482 Cb 0.19 -1.51 0.11 0.00 0.00 0.00 0.00 31.44 30.24 1ru3 n GLU 482 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 1ru3 h ILE 483 N 0.00 1.40 0.17 6.31 -0.00 -1.77 -3.01 117.51 120.62 1ru3 h ILE 483 Ca -0.53 -2.06 -0.31 0.00 -0.00 0.00 0.00 64.86 61.96 1ru3 h ILE 483 Cb 2.21 2.06 0.03 0.00 -0.00 0.00 0.00 36.82 41.12 1ru3 h ILE 483 CO 0.03 0.61 -1.33 0.00 -0.00 0.00 0.00 178.15 177.46 1ru3 h ALA 484 N 1.18 -0.05 0.00 0.16 0.00 -1.75 -2.83 119.26 115.97 1ru3 h ALA 484 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1ru3 h ALA 484 Cb 1.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ru3 h ALA 484 CO 0.10 0.72 0.03 0.00 0.00 0.00 0.00 179.25 180.09 1ru3 h ARG 485 N 0.21 0.00 0.10 0.00 3.08 -1.52 2.03 114.38 118.27 1ru3 h ARG 485 Ca -0.21 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.58 1ru3 h ARG 485 Cb 2.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 1ru3 h ARG 485 CO 0.25 0.00 -1.25 -0.22 -1.07 0.00 0.00 179.97 177.68 1ru3 h LYS 486 N 0.00 0.21 0.03 0.04 3.64 -1.36 -2.56 116.57 116.56 1ru3 h LYS 486 Ca 0.00 -0.35 -0.15 0.00 -1.27 0.00 0.00 60.65 58.88 1ru3 h LYS 486 Cb 0.05 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1ru3 h LYS 486 CO 0.00 1.14 -0.61 0.87 -2.27 0.00 0.00 179.45 178.58 1ru3 h LYS 487 N 0.06 0.37 -0.11 1.90 1.79 0.28 -2.91 116.57 117.95 1ru3 h LYS 487 Ca -0.13 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 57.88 1ru3 h LYS 487 Cb 1.94 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.71 1ru3 h LYS 487 CO 0.18 1.12 -0.05 1.88 -1.08 0.00 0.00 179.45 181.50 1ru3 h TYR 488 N -0.19 0.16 -0.00 -1.35 0.05 0.87 0.12 116.97 116.63 1ru3 h TYR 488 Ca -0.08 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1ru3 h TYR 488 Cb 1.35 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1ru3 h TYR 488 CO 0.16 0.22 -0.51 0.00 -1.05 0.00 0.00 178.16 176.98 1ru3 n ALA 489 N -2.50 3.60 0.28 3.88 0.00 -0.96 0.40 120.51 125.19 1ru3 n ALA 489 Ca -0.01 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.16 1ru3 n ALA 489 Cb 0.18 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1ru3 n ALA 489 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ru3 n GLU 490 N -1.39 0.48 0.00 0.00 2.13 -0.83 -3.70 120.64 117.32 1ru3 n GLU 490 Ca 0.06 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1ru3 n GLU 490 Cb 0.34 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.43 1ru3 n GLU 490 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ru3 n ARG 491 N -2.21 0.00 0.00 5.31 0.63 0.35 -3.76 116.66 116.98 1ru3 n ARG 491 Ca -0.01 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ru3 n ARG 491 Cb 0.51 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.83 1ru3 n ARG 491 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ru3 n ASP 492 N -2.40 0.00 0.07 6.15 8.00 0.16 0.12 116.55 128.64 1ru3 n ASP 492 Ca 0.00 0.36 -0.09 0.00 0.71 0.00 0.00 54.79 55.77 1ru3 n ASP 492 Cb 0.00 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.68 1ru3 n ASP 492 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ru3 h ALA 493 N 1.48 -0.26 -0.85 2.24 0.00 -1.73 -3.22 119.26 116.93 1ru3 h ALA 493 Ca 0.00 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.94 1ru3 h ALA 493 Cb 0.25 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 1ru3 h ALA 493 CO 0.00 -0.30 0.26 0.00 0.00 0.00 0.00 179.25 179.21 1ru3 h ARG 494 N -0.96 0.27 0.00 0.00 3.08 0.76 -2.56 114.38 114.98 1ru3 h ARG 494 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ru3 h ARG 494 Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ru3 h ARG 494 CO 0.04 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.40 1ru3 n LEU 495 N -5.16 0.00 -0.18 3.04 4.77 -1.13 -3.21 117.00 115.12 1ru3 n LEU 495 Ca 0.20 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.97 1ru3 n LEU 495 Cb 0.62 -0.15 0.26 0.00 -2.33 0.00 0.00 43.42 41.82 1ru3 n LEU 495 CO 0.09 -0.15 0.52 0.54 -1.33 0.00 0.00 177.39 177.07 1ru3 n ARG 496 N -1.02 -0.04 0.23 3.23 1.74 -1.06 -0.09 116.66 119.65 1ru3 n ARG 496 Ca 0.00 0.77 0.16 0.00 -0.77 0.00 0.00 57.85 58.01 1ru3 n ARG 496 Cb 0.00 -1.33 0.68 0.00 -1.02 0.00 0.00 32.46 30.79 1ru3 n ARG 496 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1ru3 h GLU 497 N 0.00 0.00 -6.32 5.56 4.11 -1.43 -3.44 114.58 113.06 1ru3 h GLU 497 Ca 0.41 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 59.30 1ru3 h GLU 497 Cb 1.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1ru3 h GLU 497 CO -0.45 0.00 0.19 -0.51 0.07 0.00 0.00 179.01 178.31 1ru3 s LEU 498 N -5.53 4.44 0.28 3.06 1.02 0.87 -5.06 118.68 117.77 1ru3 s LEU 498 Ca 0.01 1.48 0.05 0.00 0.02 0.00 0.00 54.13 55.69 1ru3 s LEU 498 Cb 0.09 -3.28 -0.06 0.00 0.02 0.00 0.00 46.19 42.96 1ru3 s LEU 498 CO 0.46 -0.02 -0.00 -0.94 0.02 0.00 0.00 176.35 175.86 1ru3 s SER 499 N 0.09 2.32 0.10 2.29 1.04 -1.26 -4.75 113.70 113.52 1ru3 s SER 499 Ca 0.40 -1.26 -0.22 0.00 0.48 0.00 0.00 55.95 55.35 1ru3 s SER 499 Cb -0.21 -0.08 -0.13 0.00 0.10 0.00 0.00 66.02 65.71 1ru3 s SER 499 CO 0.24 -0.49 1.74 0.44 0.98 0.00 0.00 173.24 176.15 1ru3 h ASP 500 N 2.29 0.00 -0.94 7.02 5.19 -1.93 -2.97 116.42 125.07 1ru3 h ASP 500 Ca -0.40 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1ru3 h ASP 500 Cb 1.23 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.70 1ru3 h ASP 500 CO 0.67 0.01 0.62 -0.33 -3.12 0.00 0.00 179.24 177.09 1ru3 h GLU 501 N 0.03 1.20 0.00 3.56 3.07 -2.03 -3.11 114.58 117.30 1ru3 h GLU 501 Ca 0.02 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1ru3 h GLU 501 Cb 0.02 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.66 1ru3 h GLU 501 CO -0.03 0.79 0.00 0.00 -1.40 0.00 0.00 179.01 178.38 1ru3 n ALA 502 N -2.39 1.24 -2.44 3.43 0.00 -1.12 -4.71 120.51 114.51 1ru3 n ALA 502 Ca 0.12 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1ru3 n ALA 502 Cb 0.06 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 1ru3 n ALA 502 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ru3 s VAL 503 N -3.18 1.87 -0.03 0.00 1.01 -1.18 -4.96 120.40 113.94 1ru3 s VAL 503 Ca 0.01 -2.19 0.04 0.00 0.00 0.00 0.00 61.98 59.85 1ru3 s VAL 503 Cb 0.05 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 34.08 1ru3 s VAL 503 CO 0.16 -0.34 0.90 -0.90 0.00 0.00 0.00 175.10 174.92 1ru3 n ASP 504 N -0.60 0.91 -3.82 3.32 5.75 -1.26 -4.97 116.55 115.88 1ru3 n ASP 504 Ca -0.06 -1.98 -0.17 0.00 -0.01 0.00 0.00 54.79 52.57 1ru3 n ASP 504 Cb 0.63 -0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.39 1ru3 n ASP 504 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ru3 s THR 505 N -0.84 0.16 0.49 2.12 2.01 -1.26 -0.97 115.64 117.35 1ru3 s THR 505 Ca 0.07 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.22 1ru3 s THR 505 Cb 0.06 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.31 1ru3 s THR 505 CO 0.01 0.14 0.28 -0.31 -0.69 0.00 0.00 174.62 174.04 1ru3 s TYR 506 N 1.01 2.07 -0.06 4.92 2.02 0.18 -4.89 117.35 122.61 1ru3 s TYR 506 Ca -0.10 -0.74 0.05 0.00 -0.37 0.00 0.00 57.07 55.91 1ru3 s TYR 506 Cb -0.14 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1ru3 s TYR 506 CO -0.02 -0.14 -0.22 0.71 -1.57 0.00 0.00 175.55 174.31 1ru3 s TYR 507 N -2.70 2.23 0.73 2.71 1.51 -0.81 0.54 117.35 121.56 1ru3 s TYR 507 Ca 0.34 -0.72 -0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1ru3 s TYR 507 Cb 0.00 -1.48 0.06 0.00 -0.11 0.00 0.00 41.96 40.43 1ru3 s TYR 507 CO 0.20 -0.24 1.06 -1.54 -1.11 0.00 0.00 175.55 173.91 1ru3 s SER 508 N 0.02 4.81 -0.11 2.29 1.04 0.66 0.27 113.70 122.69 1ru3 s SER 508 Ca -0.07 0.61 -0.04 0.00 0.48 0.00 0.00 55.95 56.93 1ru3 s SER 508 Cb -0.14 -1.25 0.06 0.00 0.10 0.00 0.00 66.02 64.79 1ru3 s SER 508 CO 0.04 -1.64 0.22 0.00 0.98 0.00 0.00 173.24 172.85 1ru3 n LEU 510 N 5.14 2.10 -0.32 0.00 4.77 0.01 -2.41 117.00 126.29 1ru3 n LEU 510 Ca -0.09 -1.35 0.17 0.00 -0.03 0.00 0.00 56.01 54.71 1ru3 n LEU 510 Cb 0.50 -0.07 0.37 0.00 -2.33 0.00 0.00 43.42 41.90 1ru3 n LEU 510 CO 0.05 0.46 1.09 -0.07 -1.33 0.00 0.00 177.39 177.60 1ru3 h LEU 511 N 1.72 0.45 -0.51 2.23 3.38 -1.94 0.41 115.31 121.05 1ru3 h LEU 511 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ru3 h LEU 511 Cb 0.48 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ru3 h LEU 511 CO 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1ru3 n GLN 513 N -0.29 0.05 -0.16 0.00 6.02 0.13 0.00 117.38 123.13 1ru3 n GLN 513 Ca 0.16 0.30 -0.05 0.00 -0.01 0.00 0.00 57.00 57.40 1ru3 n GLN 513 Cb 0.19 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.09 1ru3 n GLN 513 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ru3 h SER 514 N 0.00 0.87 0.00 1.08 4.64 -1.76 -3.19 113.55 115.20 1ru3 h SER 514 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1ru3 h SER 514 Cb 0.09 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1ru3 h SER 514 CO 0.00 0.88 -0.29 2.22 -0.87 0.00 0.00 176.83 178.76 1ru3 n PHE 515 N -4.24 0.00 -3.48 4.77 -1.74 0.03 -4.69 117.46 108.11 1ru3 n PHE 515 Ca 0.04 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.66 1ru3 n PHE 515 Cb 0.26 -0.01 -0.10 0.00 1.52 0.00 0.00 39.48 41.15 1ru3 n PHE 515 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ru3 n ALA 516 N -1.15 2.99 -0.35 1.98 0.00 0.10 -4.97 120.51 119.11 1ru3 n ALA 516 Ca 0.00 -3.54 0.24 0.00 0.00 0.00 0.00 53.44 50.15 1ru3 n ALA 516 Cb 0.06 -0.83 0.50 0.00 0.00 0.00 0.00 19.45 19.18 1ru3 n ALA 516 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ru3 h PRO 517 N 5.31 0.35 -0.04 0.00 0.11 -1.76 -0.23 132.00 135.74 1ru3 h PRO 517 Ca 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ru3 h PRO 517 Cb 0.86 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ru3 h PRO 517 CO 0.48 0.23 0.00 0.25 -0.21 0.00 0.00 178.00 178.76 1ru3 n THR 518 N -4.78 0.03 -3.00 -1.15 -2.24 -1.26 -4.66 114.28 97.22 1ru3 n THR 518 Ca 0.29 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1ru3 n THR 518 Cb 0.97 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.88 1ru3 n THR 518 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ru3 s HIS 519 N -1.97 3.71 -0.06 4.78 5.04 -0.10 -4.54 115.29 122.15 1ru3 s HIS 519 Ca 0.35 1.43 -0.01 0.00 -1.54 0.00 0.00 55.06 55.29 1ru3 s HIS 519 Cb 0.21 -2.81 0.03 0.00 0.04 0.00 0.00 32.58 30.04 1ru3 s HIS 519 CO 0.32 0.25 0.01 0.08 -2.34 0.00 0.00 174.74 173.06 1ru3 s VAL 520 N 0.07 0.30 0.07 0.89 1.01 -1.26 -4.57 120.40 116.92 1ru3 s VAL 520 Ca 0.38 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 1ru3 s VAL 520 Cb -0.20 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 1ru3 s VAL 520 CO 0.22 0.24 0.38 0.00 0.00 0.00 0.00 175.10 175.94 1ru3 s ILE 522 N -1.41 2.56 -0.18 0.00 -1.09 -1.26 -1.23 121.20 118.59 1ru3 s ILE 522 Ca 0.33 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1ru3 s ILE 522 Cb -0.14 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.62 1ru3 s ILE 522 CO 0.18 0.51 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.70 1ru3 s VAL 523 N 1.13 4.05 0.25 2.92 1.01 0.14 -4.88 120.40 125.02 1ru3 s VAL 523 Ca 0.01 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1ru3 s VAL 523 Cb -0.14 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1ru3 s VAL 523 CO -0.05 0.46 -0.10 -0.94 0.00 0.00 0.00 175.10 174.47 1ru3 s SER 524 N 0.66 2.72 0.30 3.32 1.04 -1.12 -1.92 113.70 118.70 1ru3 s SER 524 Ca -0.01 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.35 1ru3 s SER 524 Cb -0.14 -0.16 0.80 0.00 0.10 0.00 0.00 66.02 66.61 1ru3 s SER 524 CO 0.02 -0.26 1.66 -0.65 0.98 0.00 0.00 173.24 174.99 1ru3 h PRO 525 N 2.38 0.27 -0.61 4.02 0.11 -1.92 0.17 132.00 136.42 1ru3 h PRO 525 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ru3 h PRO 525 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ru3 h PRO 525 CO 0.65 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 1ru3 n GLU 526 N -5.15 3.94 -3.43 1.05 1.02 -1.26 -4.72 120.64 112.08 1ru3 n GLU 526 Ca 0.24 -2.94 -0.21 0.00 -0.02 0.00 0.00 57.16 54.23 1ru3 n GLU 526 Cb 0.74 -1.96 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 1ru3 n GLU 526 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ru3 s ARG 527 N -2.07 0.36 0.74 3.49 3.52 0.05 -4.64 118.95 120.40 1ru3 s ARG 527 Ca 0.51 -0.45 -0.13 0.00 -0.13 0.00 0.00 55.73 55.53 1ru3 s ARG 527 Cb 0.34 -0.85 0.05 0.00 -1.56 0.00 0.00 34.95 32.93 1ru3 s ARG 527 CO 0.22 -1.07 1.14 0.54 -0.81 0.00 0.00 175.30 175.32 1ru3 s VAL 528 N 2.04 2.83 0.55 7.11 0.11 -1.26 -2.81 120.40 128.97 1ru3 s VAL 528 Ca 0.11 0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 59.29 1ru3 s VAL 528 Cb -0.15 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.86 1ru3 s VAL 528 CO -0.27 -0.28 1.36 -0.83 -3.33 0.00 0.00 175.10 171.76 1ru3 s GLY 529 N -2.64 2.89 0.66 6.54 0.00 -0.27 -4.59 107.32 109.91 1ru3 s GLY 529 Ca 0.68 1.34 0.43 0.00 0.00 0.00 0.00 44.72 47.17 1ru3 s GLY 529 CO 0.48 1.86 2.35 0.17 0.00 0.00 0.00 173.10 177.96 1ru3 h LEU 530 N 1.40 0.00 0.00 0.66 8.10 -1.89 0.14 115.31 123.72 1ru3 h LEU 530 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.48 1ru3 h LEU 530 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.52 1ru3 h LEU 530 CO 0.57 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.90 1ru3 n GLY 532 N 0.56 1.17 0.05 0.00 0.00 0.47 -4.75 105.19 102.69 1ru3 n GLY 532 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1ru3 n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru3 n ALA 533 N 0.75 4.42 -3.91 4.61 0.00 -1.26 -4.88 120.51 120.25 1ru3 n ALA 533 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 1ru3 n ALA 533 Cb 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 19.45 18.46 1ru3 n ALA 533 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ru3 s ILE 534 N -2.94 1.46 0.68 0.00 1.01 -1.26 -5.02 121.20 115.13 1ru3 s ILE 534 Ca 0.10 -1.26 -0.00 0.00 0.00 0.00 0.00 60.65 59.48 1ru3 s ILE 534 Cb 0.17 -1.79 0.11 0.00 0.01 0.00 0.00 42.46 40.95 1ru3 s ILE 534 CO 0.81 -0.19 0.95 -0.94 0.00 0.00 0.00 174.94 175.57 1ru3 s SER 535 N 1.41 4.56 0.14 3.58 1.04 -1.26 -1.11 113.70 122.06 1ru3 s SER 535 Ca -0.03 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 1ru3 s SER 535 Cb -0.19 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.75 1ru3 s SER 535 CO -0.08 -1.70 1.73 -0.25 0.98 0.00 0.00 173.24 173.92 1ru3 h TRP 536 N -0.39 0.61 -0.55 5.02 7.01 -1.88 0.88 115.95 126.64 1ru3 h TRP 536 Ca -0.37 -0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.53 1ru3 h TRP 536 Cb 1.27 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 28.12 1ru3 h TRP 536 CO -0.05 0.49 0.08 -0.07 -2.79 0.00 0.00 178.44 176.09 1ru3 h LEU 537 N 0.55 0.84 -0.38 0.65 3.38 -1.95 0.11 115.31 118.52 1ru3 h LEU 537 Ca 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ru3 h LEU 537 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ru3 h LEU 537 CO -0.02 0.86 0.18 0.44 0.09 0.00 0.00 178.44 179.99 1ru3 h ASP 538 N 0.84 0.50 -0.07 -0.43 3.32 -1.73 -0.76 116.42 118.10 1ru3 h ASP 538 Ca 0.17 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1ru3 h ASP 538 Cb 0.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1ru3 h ASP 538 CO 0.01 0.50 -0.16 0.00 -1.72 0.00 0.00 179.24 177.87 1ru3 h ALA 539 N 1.02 1.26 -0.24 3.45 0.00 -0.26 -2.31 119.26 122.19 1ru3 h ALA 539 Ca 0.13 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1ru3 h ALA 539 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ru3 h ALA 539 CO -0.02 0.49 -0.41 -0.22 0.00 0.00 0.00 179.25 179.09 1ru3 h LYS 540 N 0.39 0.58 -0.36 0.00 3.64 -0.27 -2.39 116.57 118.17 1ru3 h LYS 540 Ca 0.07 -0.30 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1ru3 h LYS 540 Cb 0.52 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ru3 h LYS 540 CO 0.03 0.89 -0.15 0.00 -2.27 0.00 0.00 179.45 177.95 1ru3 h ALA 541 N 1.07 0.50 -0.54 5.00 0.00 -0.79 -2.53 119.26 121.96 1ru3 h ALA 541 Ca 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ru3 h ALA 541 Cb 0.92 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1ru3 h ALA 541 CO 0.08 0.41 0.18 0.00 0.00 0.00 0.00 179.25 179.93 1ru3 h ALA 542 N 0.80 1.30 -0.02 0.00 0.00 -1.35 0.67 119.26 120.66 1ru3 h ALA 542 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ru3 h ALA 542 Cb 0.68 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ru3 h ALA 542 CO 0.05 0.51 -0.00 -0.92 0.00 0.00 0.00 179.25 178.88 1ru3 h TYR 543 N 0.79 0.03 -0.59 0.00 3.20 -1.38 0.41 116.97 119.43 1ru3 h TYR 543 Ca 0.18 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1ru3 h TYR 543 Cb 0.21 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1ru3 h TYR 543 CO 0.01 0.40 0.34 0.93 -1.64 0.00 0.00 178.16 178.20 1ru3 h GLU 544 N -0.34 0.64 -0.33 1.82 5.08 -0.97 1.03 114.58 121.51 1ru3 h GLU 544 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1ru3 h GLU 544 Cb 0.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ru3 h GLU 544 CO 0.00 0.42 -0.22 0.82 -1.00 0.00 0.00 179.01 179.03 1ru3 h ILE 545 N 0.66 1.27 -2.29 3.13 2.04 0.39 -3.37 117.51 119.33 1ru3 h ILE 545 Ca 0.25 -1.28 -0.58 0.00 1.00 0.00 0.00 64.86 64.25 1ru3 h ILE 545 Cb 0.08 1.26 -0.39 0.00 -0.74 0.00 0.00 36.82 37.03 1ru3 h ILE 545 CO -0.13 0.42 -0.96 -3.20 0.00 0.00 0.00 178.15 174.28 1ru3 n ASN 546 N -4.12 0.34 0.00 1.72 4.05 0.14 -4.98 115.26 112.42 1ru3 n ASN 546 Ca 0.00 -2.63 0.00 0.00 0.45 0.00 0.00 54.58 52.40 1ru3 n ASN 546 Cb 0.41 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.81 1ru3 n ASN 546 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1ru3 n PRO 547 N 2.13 0.00 0.00 1.20 -0.04 0.34 0.12 135.00 138.75 1ru3 n PRO 547 Ca 0.26 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 1ru3 n PRO 547 Cb 0.48 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1ru3 n PRO 547 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ru3 n ASN 548 N -1.08 1.36 -2.97 3.54 4.13 -1.26 -5.03 115.26 113.95 1ru3 n ASN 548 Ca 0.00 -1.18 -0.10 0.00 1.68 0.00 0.00 54.58 54.98 1ru3 n ASN 548 Cb 0.25 0.17 0.09 0.00 -1.54 0.00 0.00 39.78 38.75 1ru3 n ASN 548 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ru3 n GLY 549 N 0.52 -3.24 0.62 7.41 0.00 0.32 -4.92 105.19 105.90 1ru3 n GLY 549 Ca 0.04 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1ru3 n GLY 549 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ru3 n PRO 550 N -2.95 1.57 -3.83 1.61 -0.04 -1.26 -4.59 135.00 125.51 1ru3 n PRO 550 Ca 0.05 -0.51 -0.30 0.00 -0.04 0.00 0.00 63.50 62.69 1ru3 n PRO 550 Cb 0.19 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.00 1ru3 n PRO 550 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ru3 s ASN 551 N -0.33 4.14 0.13 3.54 0.01 -1.26 -0.81 114.94 120.36 1ru3 s ASN 551 Ca 0.09 -1.67 0.08 0.00 -0.71 0.00 0.00 52.86 50.65 1ru3 s ASN 551 Cb 0.06 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.60 1ru3 s ASN 551 CO 0.03 -0.38 -0.10 -1.10 -1.51 0.00 0.00 177.10 174.05 1ru3 s GLN 552 N 1.42 2.09 0.26 -0.60 -1.52 -1.23 -4.28 119.66 115.81 1ru3 s GLN 552 Ca 0.08 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 52.08 1ru3 s GLN 552 Cb -0.18 -2.25 -0.09 0.00 -0.22 0.00 0.00 33.01 30.27 1ru3 s GLN 552 CO -0.18 0.48 1.06 -1.25 -0.25 0.00 0.00 175.29 175.16 1ru3 s PRO 553 N -2.43 4.69 -0.10 2.91 0.04 -1.26 -0.24 135.00 138.61 1ru3 s PRO 553 Ca 0.22 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 1ru3 s PRO 553 Cb -0.10 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1ru3 s PRO 553 CO 0.14 0.28 0.03 0.42 0.04 0.00 0.00 177.00 177.91 1ru3 s ILE 554 N -1.11 0.25 0.62 0.56 1.01 0.19 -4.90 121.20 117.82 1ru3 s ILE 554 Ca 0.44 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.98 1ru3 s ILE 554 Cb -0.30 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1ru3 s ILE 554 CO 0.39 0.10 1.05 -2.16 0.00 0.00 0.00 174.94 174.31 1ru3 s PRO 555 N 2.01 3.30 -0.60 2.79 0.04 -1.26 0.51 135.00 141.79 1ru3 s PRO 555 Ca 0.04 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 1ru3 s PRO 555 Cb -0.13 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1ru3 s PRO 555 CO -0.06 -0.82 1.11 0.15 0.04 0.00 0.00 177.00 177.42 1ru3 s LYS 556 N -4.50 3.38 0.00 4.56 1.02 -0.14 -4.65 119.74 119.42 1ru3 s LYS 556 Ca 0.60 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.54 1ru3 s LYS 556 Cb -0.14 -4.06 -0.00 0.00 -0.52 0.00 0.00 37.83 33.10 1ru3 s LYS 556 CO 0.44 -1.69 -0.02 -2.00 -0.92 0.00 0.00 175.35 171.16 1ru3 s GLU 557 N 4.68 0.15 -0.12 1.68 2.12 -1.26 -4.90 118.70 121.05 1ru3 s GLU 557 Ca 0.36 -0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 1ru3 s GLU 557 Cb -0.10 -0.07 -0.00 0.00 0.26 0.00 0.00 34.13 34.22 1ru3 s GLU 557 CO 0.21 0.02 0.10 0.41 -0.54 0.00 0.00 175.26 175.45 1ru3 n GLY 558 N 2.77 0.49 3.61 -1.50 0.00 -1.26 -1.56 105.19 107.73 1ru3 n GLY 558 Ca -0.14 -0.34 -0.50 0.00 0.00 0.00 0.00 46.02 45.04 1ru3 n GLY 558 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ru3 n LEU 559 N -1.44 2.07 -0.02 0.99 7.94 -1.26 -0.67 117.00 124.60 1ru3 n LEU 559 Ca -0.02 1.11 -0.06 0.00 -1.11 0.00 0.00 56.01 55.93 1ru3 n LEU 559 Cb 0.52 -1.26 -0.02 0.00 0.53 0.00 0.00 43.42 43.18 1ru3 n LEU 559 CO 0.06 -0.85 -0.64 -0.38 -1.11 0.00 0.00 177.39 174.48 1ru3 n ILE 560 N 2.65 0.46 -3.69 1.96 5.41 -0.17 -4.86 119.36 121.12 1ru3 n ILE 560 Ca 0.17 -0.03 -0.26 0.00 1.00 0.00 0.00 62.75 63.63 1ru3 n ILE 560 Cb 0.22 -1.60 -0.17 0.00 -0.71 0.00 0.00 39.64 37.38 1ru3 n ILE 560 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ru3 s ASP 561 N -5.60 2.47 0.27 4.38 -1.08 -0.96 -4.97 116.67 111.19 1ru3 s ASP 561 Ca -0.08 -0.62 0.25 0.00 -0.52 0.00 0.00 52.55 51.58 1ru3 s ASP 561 Cb 0.03 -0.43 0.94 0.00 -1.46 0.00 0.00 42.92 42.00 1ru3 s ASP 561 CO 0.10 -0.31 1.75 1.55 0.52 0.00 0.00 175.17 178.79 1ru3 h PRO 562 N 8.33 0.00 0.00 4.34 0.13 -1.95 -0.15 132.00 142.70 1ru3 h PRO 562 Ca -0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.65 1ru3 h PRO 562 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1ru3 h PRO 562 CO 0.30 0.00 -1.90 0.28 -0.23 0.00 0.00 178.00 176.45 1ru3 n VAL 563 N -2.35 1.52 0.33 1.56 0.31 -1.26 -4.18 118.33 114.26 1ru3 n VAL 563 Ca 0.03 -0.19 0.15 0.00 -0.01 0.00 0.00 64.34 64.31 1ru3 n VAL 563 Cb 0.31 -2.01 0.51 0.00 -0.91 0.00 0.00 33.84 31.74 1ru3 n VAL 563 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ru3 h LYS 564 N -1.00 0.00 -3.82 5.55 1.57 -1.92 -3.41 116.57 113.55 1ru3 h LYS 564 Ca -0.49 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1ru3 h LYS 564 Cb 1.40 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.74 1ru3 h LYS 564 CO -0.30 0.00 -0.16 0.41 -0.57 0.00 0.00 179.45 178.84 1ru3 n GLY 565 N 0.37 -0.17 3.21 3.86 0.00 -0.12 -0.83 105.19 111.51 1ru3 n GLY 565 Ca 0.02 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1ru3 n GLY 565 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ru3 s GLN 566 N -3.25 2.05 0.02 1.61 0.74 -0.86 -0.69 119.66 119.28 1ru3 s GLN 566 Ca 0.08 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1ru3 s GLN 566 Cb -0.01 -1.80 -0.02 0.00 1.10 0.00 0.00 33.01 32.28 1ru3 s GLN 566 CO 0.25 0.34 -0.06 -1.58 -0.55 0.00 0.00 175.29 173.70 1ru3 s TRP 567 N -0.16 0.49 0.34 1.67 0.52 -1.26 -1.00 118.94 119.54 1ru3 s TRP 567 Ca -0.01 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.82 1ru3 s TRP 567 Cb -0.12 -0.31 0.62 0.00 -1.15 0.00 0.00 33.47 32.52 1ru3 s TRP 567 CO 0.02 -0.08 1.83 0.93 0.02 0.00 0.00 176.95 179.68 1ru3 h GLU 568 N 5.05 0.35 0.27 4.98 5.08 -0.80 -1.42 114.58 128.09 1ru3 h GLU 568 Ca -0.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1ru3 h GLU 568 Cb 1.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ru3 h GLU 568 CO 0.44 0.51 -0.18 0.66 -1.00 0.00 0.00 179.01 179.44 1ru3 h SER 569 N 0.32 -0.46 -0.70 1.42 4.64 -1.53 0.23 113.55 117.47 1ru3 h SER 569 Ca 0.06 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1ru3 h SER 569 Cb 0.49 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1ru3 h SER 569 CO 0.03 -0.29 0.16 -0.26 -0.87 0.00 0.00 176.83 175.61 1ru3 h PHE 570 N -0.44 1.19 -0.70 4.77 0.04 -1.80 -1.83 116.94 118.17 1ru3 h PHE 570 Ca -0.02 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 1ru3 h PHE 570 Cb 0.38 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1ru3 h PHE 570 CO -0.10 0.97 0.36 -0.91 -0.60 0.00 0.00 178.31 178.02 1ru3 h ASN 571 N 1.07 0.90 -0.42 2.17 -0.26 -0.74 -0.80 115.58 117.49 1ru3 h ASN 571 Ca 0.22 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.75 1ru3 h ASN 571 Cb 0.38 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1ru3 h ASN 571 CO 0.00 0.75 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.67 1ru3 h GLU 572 N 0.97 0.83 -0.50 0.81 5.08 -0.41 -0.92 114.58 120.44 1ru3 h GLU 572 Ca 0.24 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ru3 h GLU 572 Cb 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ru3 h GLU 572 CO -0.04 0.96 0.31 -0.92 -1.00 0.00 0.00 179.01 178.32 1ru3 h TYR 573 N 0.65 0.66 -0.44 4.33 3.20 -1.02 -1.22 116.97 123.14 1ru3 h TYR 573 Ca 0.10 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 1ru3 h TYR 573 Cb 0.67 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1ru3 h TYR 573 CO 0.05 0.45 -0.20 0.82 -1.64 0.00 0.00 178.16 177.64 1ru3 h ILE 574 N 0.67 1.27 -0.58 1.81 2.04 -1.01 -0.87 117.51 120.86 1ru3 h ILE 574 Ca 0.18 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1ru3 h ILE 574 Cb -0.02 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ru3 h ILE 574 CO -0.03 0.46 0.36 0.22 0.00 0.00 0.00 178.15 179.16 1ru3 h TYR 575 N 0.76 0.75 -0.14 1.37 3.20 -0.99 -0.57 116.97 121.34 1ru3 h TYR 575 Ca 0.10 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 1ru3 h TYR 575 Cb 0.77 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1ru3 h TYR 575 CO 0.06 0.50 -0.50 -0.22 -1.64 0.00 0.00 178.16 176.35 1ru3 h LYS 576 N 0.78 0.38 -0.68 1.82 3.64 -1.11 0.26 116.57 121.66 1ru3 h LYS 576 Ca 0.21 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ru3 h LYS 576 Cb -0.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1ru3 h LYS 576 CO -0.04 0.80 0.00 0.09 -2.27 0.00 0.00 179.45 178.03 1ru3 n ASN 577 N -3.96 3.86 -0.36 4.20 4.13 -0.34 -4.00 115.26 118.79 1ru3 n ASN 577 Ca -0.02 -2.08 0.08 0.00 1.68 0.00 0.00 54.58 54.23 1ru3 n ASN 577 Cb 0.56 -0.48 0.18 0.00 -1.54 0.00 0.00 39.78 38.49 1ru3 n ASN 577 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ru3 n SER 578 N 1.43 2.02 -3.75 6.41 3.41 -0.26 -4.75 113.62 118.13 1ru3 n SER 578 Ca 0.23 -3.52 -0.26 0.00 -0.26 0.00 0.00 58.87 55.06 1ru3 n SER 578 Cb 0.63 -0.48 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1ru3 n SER 578 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ru3 n GLN 579 N -1.27 -6.52 -2.64 4.33 6.02 -1.25 -1.27 117.38 114.79 1ru3 n GLN 579 Ca 0.18 0.71 -0.15 0.00 -0.01 0.00 0.00 57.00 57.72 1ru3 n GLN 579 Cb 0.67 -5.64 -0.00 0.00 1.02 0.00 0.00 30.24 26.28 1ru3 n GLN 579 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ru3 n ARG 580 N -4.75 -2.58 0.04 -1.09 1.74 0.91 -4.85 116.66 106.08 1ru3 n ARG 580 Ca -0.02 0.62 0.06 0.00 -0.77 0.00 0.00 57.85 57.75 1ru3 n ARG 580 Cb 0.56 -5.26 -0.08 0.00 -1.02 0.00 0.00 32.46 26.66 1ru3 n ARG 580 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ru3 n THR 581 N -3.60 0.69 -4.37 0.55 -2.24 -0.40 -4.85 114.28 100.07 1ru3 n THR 581 Ca -0.13 -0.60 -0.33 0.00 -2.27 0.00 0.00 64.05 60.71 1ru3 n THR 581 Cb 0.60 -0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 1ru3 n THR 581 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ru3 s ILE 582 N -3.20 2.70 -0.19 2.28 1.01 -1.26 -5.00 121.20 117.53 1ru3 s ILE 582 Ca -0.04 -0.75 0.11 0.00 0.00 0.00 0.00 60.65 59.97 1ru3 s ILE 582 Cb 0.10 -2.16 -0.19 0.00 0.01 0.00 0.00 42.46 40.22 1ru3 s ILE 582 CO 0.83 0.50 -0.03 -0.62 0.00 0.00 0.00 174.94 175.62 1ru3 n GLU 583 N 4.25 0.93 -4.17 2.79 1.02 -1.26 -2.79 120.64 121.41 1ru3 n GLU 583 Ca -0.19 0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.81 1ru3 n GLU 583 Cb 0.51 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 1ru3 n GLU 583 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ru3 s ARG 584 N -2.43 0.80 -0.11 3.49 0.52 -1.26 -4.66 118.95 115.30 1ru3 s ARG 584 Ca -0.16 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 1ru3 s ARG 584 Cb 0.06 -0.79 0.05 0.00 0.52 0.00 0.00 34.95 34.79 1ru3 s ARG 584 CO 0.65 0.18 0.23 1.41 0.02 0.00 0.00 175.30 177.78 1ru3 s MET 585 N -1.71 0.13 -0.21 3.54 1.75 -1.26 -4.84 119.30 116.71 1ru3 s MET 585 Ca -0.02 0.62 -0.11 0.00 -1.25 0.00 0.00 55.69 54.92 1ru3 s MET 585 Cb -0.10 -0.12 -0.05 0.00 2.84 0.00 0.00 34.83 37.40 1ru3 s MET 585 CO 0.02 -0.24 0.19 -0.80 -0.65 0.00 0.00 175.02 173.53 1ru3 s ASN 586 N 1.95 6.21 0.22 1.11 0.02 -0.28 -4.47 114.94 119.70 1ru3 s ASN 586 Ca -0.02 0.23 0.10 0.00 -1.02 0.00 0.00 52.86 52.15 1ru3 s ASN 586 Cb -0.12 -2.12 0.11 0.00 0.02 0.00 0.00 41.25 39.14 1ru3 s ASN 586 CO -0.08 0.10 1.46 0.25 0.02 0.00 0.00 177.10 178.85 1ru3 h LEU 587 N 7.13 0.00 -3.31 0.60 6.46 -0.40 -3.35 115.31 122.44 1ru3 h LEU 587 Ca -0.39 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.28 1ru3 h LEU 587 Cb 1.16 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.04 1ru3 h LEU 587 CO 0.71 0.75 -0.01 -1.22 -0.62 0.00 0.00 178.44 178.05 1ru3 n TYR 588 N -3.51 1.03 -3.80 1.25 4.01 -0.01 -4.81 117.16 111.32 1ru3 n TYR 588 Ca -0.00 -1.21 -0.10 0.00 -0.16 0.00 0.00 57.90 56.42 1ru3 n TYR 588 Cb 0.76 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 39.31 1ru3 n TYR 588 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1ru3 s THR 589 N -3.02 0.11 -0.55 -0.72 -1.32 -1.26 -0.63 115.64 108.25 1ru3 s THR 589 Ca 0.43 -0.90 0.10 0.00 -1.21 0.00 0.00 61.69 60.11 1ru3 s THR 589 Cb 0.37 -1.10 -0.10 0.00 -1.51 0.00 0.00 72.50 70.17 1ru3 s THR 589 CO 0.05 -0.50 0.46 2.30 -2.21 0.00 0.00 174.62 174.72 1ru3 n ILE 590 N 0.30 0.00 0.18 5.08 -5.35 -1.26 -4.46 119.36 113.84 1ru3 n ILE 590 Ca -0.17 -0.28 0.06 0.00 -0.27 0.00 0.00 62.75 62.09 1ru3 n ILE 590 Cb 0.61 1.02 0.14 0.00 -1.74 0.00 0.00 39.64 39.66 1ru3 n ILE 590 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1ru3 h MET 591 N 0.17 0.00 -3.61 6.28 2.86 -1.93 0.94 114.93 119.64 1ru3 h MET 591 Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1ru3 h MET 591 Cb 0.26 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 31.58 1ru3 h MET 591 CO 0.00 0.32 -0.74 -1.21 1.06 0.00 0.00 176.91 176.34 1ru3 s GLU 592 N -3.14 0.12 -1.46 1.72 2.02 -1.26 -4.37 118.70 112.32 1ru3 s GLU 592 Ca 0.04 0.14 -0.03 0.00 0.02 0.00 0.00 54.97 55.14 1ru3 s GLU 592 Cb 0.07 -0.36 0.02 0.00 0.10 0.00 0.00 34.13 33.97 1ru3 s GLU 592 CO 0.71 -0.16 0.46 0.66 0.02 0.00 0.00 175.26 176.95 1ru3 n TYR 593 N 4.18 -1.66 -1.43 1.61 4.01 -1.26 -4.38 117.16 118.22 1ru3 n TYR 593 Ca -0.27 0.75 -0.33 0.00 -0.16 0.00 0.00 57.90 57.89 1ru3 n TYR 593 Cb 0.50 -3.60 0.09 0.00 -0.31 0.00 0.00 39.34 36.02 1ru3 n TYR 593 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ru3 s PRO 594 N -6.64 2.23 0.57 -0.72 0.04 -1.26 -1.12 135.00 128.09 1ru3 s PRO 594 Ca 0.12 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1ru3 s PRO 594 Cb -0.06 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1ru3 s PRO 594 CO 0.90 -1.72 1.34 1.41 0.04 0.00 0.00 177.00 178.96 1ru3 s MET 595 N -4.17 3.01 0.86 4.56 -2.45 -1.26 -4.73 119.30 115.12 1ru3 s MET 595 Ca 0.70 2.18 -0.14 0.00 -1.25 0.00 0.00 55.69 57.18 1ru3 s MET 595 Cb -0.24 -2.16 0.20 0.00 1.25 0.00 0.00 34.83 33.88 1ru3 s MET 595 CO 0.47 -1.28 1.17 0.25 1.05 0.00 0.00 175.02 176.68 1ru3 n THR 596 N -1.24 0.00 -4.16 10.11 -2.24 -1.26 -4.81 114.28 110.68 1ru3 n THR 596 Ca 0.12 -0.91 -0.14 0.00 -2.27 0.00 0.00 64.05 60.85 1ru3 n THR 596 Cb 0.46 -1.52 -0.11 0.00 -2.10 0.00 0.00 70.33 67.06 1ru3 n THR 596 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ru3 s SER 597 N -5.29 1.39 0.00 3.42 0.01 -1.26 -4.87 113.70 107.10 1ru3 s SER 597 Ca 0.67 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1ru3 s SER 597 Cb -0.02 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1ru3 s SER 597 CO 0.47 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.85 1ru3 n GLY 599 N 2.10 0.03 1.15 0.00 0.00 -1.26 -0.83 105.19 106.37 1ru3 n GLY 599 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ru3 n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru3 n PHE 601 N 1.41 1.40 0.23 0.00 1.16 -1.26 -4.37 117.46 116.03 1ru3 n PHE 601 Ca 0.20 0.66 0.12 0.00 -1.87 0.00 0.00 57.45 56.55 1ru3 n PHE 601 Cb 0.58 -2.29 0.48 0.00 -1.61 0.00 0.00 39.48 36.64 1ru3 n PHE 601 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1ru3 h GLU 602 N 2.91 0.00 -3.09 3.97 5.08 -1.29 -3.44 114.58 118.72 1ru3 h GLU 602 Ca -0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1ru3 h GLU 602 Cb 1.33 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.45 1ru3 h GLU 602 CO 0.67 0.16 0.07 0.00 -1.00 0.00 0.00 179.01 178.91 1ru3 s ALA 603 N -3.61 -1.30 -0.04 3.43 0.00 -0.59 -1.19 121.76 118.46 1ru3 s ALA 603 Ca 0.01 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.35 1ru3 s ALA 603 Cb 0.09 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1ru3 s ALA 603 CO 0.62 -0.67 -0.24 0.42 0.00 0.00 0.00 175.76 175.89 1ru3 s ILE 604 N -3.50 2.20 -0.03 0.00 1.01 0.02 -0.61 121.20 120.29 1ru3 s ILE 604 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1ru3 s ILE 604 Cb 0.00 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1ru3 s ILE 604 CO -0.10 0.58 -0.06 -0.04 0.00 0.00 0.00 174.94 175.31 1ru3 s MET 605 N -0.39 2.66 -0.15 2.79 -1.94 -0.35 -0.23 119.30 121.69 1ru3 s MET 605 Ca 0.03 -0.63 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 1ru3 s MET 605 Cb -0.12 -2.56 0.05 0.00 2.01 0.00 0.00 34.83 34.21 1ru3 s MET 605 CO 0.02 0.63 0.39 0.00 -0.01 0.00 0.00 175.02 176.04 1ru3 s ALA 606 N -0.92 -0.97 0.20 3.03 0.00 -0.87 -1.73 121.76 120.50 1ru3 s ALA 606 Ca 0.15 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 53.11 1ru3 s ALA 606 Cb -0.11 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 22.16 1ru3 s ALA 606 CO 0.05 -0.22 0.88 -0.47 0.00 0.00 0.00 175.76 176.00 1ru3 s TYR 607 N 0.82 3.94 -0.31 0.00 5.04 -0.26 -2.08 117.35 124.50 1ru3 s TYR 607 Ca -0.05 1.80 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1ru3 s TYR 607 Cb -0.06 -2.91 0.09 0.00 0.35 0.00 0.00 41.96 39.43 1ru3 s TYR 607 CO -0.06 0.45 0.02 -0.51 -1.34 0.00 0.00 175.55 174.12 1ru3 s LEU 608 N -1.04 3.69 0.61 6.97 1.43 0.08 -4.98 118.68 125.43 1ru3 s LEU 608 Ca 0.40 -1.79 0.36 0.00 -1.03 0.00 0.00 54.13 52.07 1ru3 s LEU 608 Cb -0.25 -1.38 1.96 0.00 0.03 0.00 0.00 46.19 46.56 1ru3 s LEU 608 CO 0.30 -0.34 2.25 1.55 0.23 0.00 0.00 176.35 180.33 1ru3 h PRO 609 N 7.79 0.00 0.00 1.29 0.13 -1.95 -1.40 132.00 137.87 1ru3 h PRO 609 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1ru3 h PRO 609 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ru3 h PRO 609 CO 0.48 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.21 1ru3 h GLU 610 N 0.00 0.00 0.00 0.86 3.07 -1.94 -2.74 114.58 113.83 1ru3 h GLU 610 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ru3 h GLU 610 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1ru3 h GLU 610 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1ru3 n LEU 611 N -2.72 1.19 -1.75 1.33 4.77 -0.71 -5.01 117.00 114.09 1ru3 n LEU 611 Ca 0.01 -1.19 -0.19 0.00 -0.03 0.00 0.00 56.01 54.61 1ru3 n LEU 611 Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1ru3 n LEU 611 CO 0.22 0.30 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.17 1ru3 n ASN 612 N -0.15 -5.34 -1.34 -1.43 4.05 -0.61 -4.73 115.26 105.71 1ru3 n ASN 612 Ca 0.00 0.25 -0.01 0.00 0.45 0.00 0.00 54.58 55.27 1ru3 n ASN 612 Cb 0.11 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 36.68 1ru3 n ASN 612 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ru3 n GLY 613 N -0.82 1.60 3.90 8.20 0.00 -1.20 -4.78 105.19 112.09 1ru3 n GLY 613 Ca -0.20 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1ru3 n GLY 613 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ru3 s PHE 614 N -6.97 3.57 0.09 1.61 0.08 -0.05 -0.74 117.98 115.57 1ru3 s PHE 614 Ca 0.03 0.43 0.05 0.00 0.12 0.00 0.00 56.93 57.56 1ru3 s PHE 614 Cb -0.01 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1ru3 s PHE 614 CO 0.02 0.66 -0.02 0.00 -0.10 0.00 0.00 175.22 175.78 1ru3 s MET 615 N -1.71 2.47 -0.02 0.44 0.23 -0.89 -0.94 119.30 118.88 1ru3 s MET 615 Ca 0.25 -0.87 0.05 0.00 -1.03 0.00 0.00 55.69 54.08 1ru3 s MET 615 Cb -0.13 -2.50 -0.01 0.00 -1.53 0.00 0.00 34.83 30.67 1ru3 s MET 615 CO 0.15 0.53 -0.16 0.42 -2.03 0.00 0.00 175.02 173.94 1ru3 s ILE 616 N -1.30 1.27 -0.04 3.16 1.01 -0.44 -2.04 121.20 122.82 1ru3 s ILE 616 Ca 0.25 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1ru3 s ILE 616 Cb -0.12 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1ru3 s ILE 616 CO 0.18 0.36 -0.02 0.54 0.00 0.00 0.00 174.94 176.00 1ru3 s VAL 617 N -0.21 0.33 0.40 2.92 0.11 0.68 -4.01 120.40 120.63 1ru3 s VAL 617 Ca 0.03 -0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.00 1ru3 s VAL 617 Cb -0.08 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1ru3 s VAL 617 CO 0.00 0.18 0.72 0.54 -3.33 0.00 0.00 175.10 173.21 1ru3 s ASN 618 N 0.97 6.41 0.27 3.54 2.20 -1.26 -0.80 114.94 126.27 1ru3 s ASN 618 Ca -0.10 0.95 0.01 0.00 -0.94 0.00 0.00 52.86 52.78 1ru3 s ASN 618 Cb -0.14 -2.25 0.62 0.00 -2.00 0.00 0.00 41.25 37.48 1ru3 s ASN 618 CO -0.01 -0.41 1.71 -0.09 -2.94 0.00 0.00 177.10 175.36 1ru3 h ARG 619 N 0.98 0.42 -0.00 3.55 2.43 -1.44 -1.15 114.38 119.17 1ru3 h ARG 619 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1ru3 h ARG 619 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1ru3 h ARG 619 CO 0.63 0.27 -0.04 -0.85 -1.51 0.00 0.00 179.97 178.48 1ru3 n GLU 620 N -5.02 0.53 -2.77 0.20 0.00 -1.26 -4.78 120.64 107.53 1ru3 n GLU 620 Ca 0.19 -0.08 -0.41 0.00 0.00 0.00 0.00 57.16 56.86 1ru3 n GLU 620 Cb 0.55 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.45 1ru3 n GLU 620 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ru3 s HIS 621 N -2.52 3.75 -1.00 -1.84 2.46 -0.44 -4.95 115.29 110.76 1ru3 s HIS 621 Ca 0.29 1.70 0.09 0.00 0.47 0.00 0.00 55.06 57.62 1ru3 s HIS 621 Cb 0.20 -3.03 0.03 0.00 -0.13 0.00 0.00 32.58 29.66 1ru3 s HIS 621 CO 0.47 0.15 0.69 0.43 -2.47 0.00 0.00 174.74 174.00 1ru3 n SER 622 N 3.16 1.44 -4.84 9.88 7.64 -1.26 -4.51 113.62 125.14 1ru3 n SER 622 Ca 0.03 -1.22 -0.29 0.00 1.01 0.00 0.00 58.87 58.40 1ru3 n SER 622 Cb 0.50 0.25 0.11 0.00 -1.01 0.00 0.00 64.21 64.07 1ru3 n SER 622 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ru3 s GLY 623 N -1.05 1.58 0.29 0.23 0.00 -1.26 -4.90 107.32 102.22 1ru3 s GLY 623 Ca 0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 1ru3 s GLY 623 CO 0.18 -0.05 1.29 -0.29 0.00 0.00 0.00 173.10 174.23 1ru3 s MET 624 N -5.41 4.39 0.32 2.90 1.75 -1.26 -4.60 119.30 117.40 1ru3 s MET 624 Ca 0.63 2.14 0.07 0.00 -1.25 0.00 0.00 55.69 57.28 1ru3 s MET 624 Cb -0.13 -3.11 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 1ru3 s MET 624 CO 0.51 -0.16 0.27 0.95 -0.65 0.00 0.00 175.02 175.94 1ru3 s THR 625 N -0.83 3.63 -1.06 10.11 -4.23 -1.10 -4.77 115.64 117.39 1ru3 s THR 625 Ca 0.50 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1ru3 s THR 625 Cb -0.38 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.29 1ru3 s THR 625 CO 0.48 -0.20 1.10 -2.65 -0.54 0.00 0.00 174.62 172.80 1ru3 n PRO 626 N -1.33 0.01 0.00 3.99 -0.02 -1.09 -1.22 135.00 135.34 1ru3 n PRO 626 Ca -0.03 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 1ru3 n PRO 626 Cb 0.60 -1.50 0.70 0.00 -0.02 0.00 0.00 33.50 33.28 1ru3 n PRO 626 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1ru3 n ILE 627 N -1.47 0.00 -0.75 4.25 3.06 -1.26 -4.31 119.36 118.87 1ru3 n ILE 627 Ca 0.01 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1ru3 n ILE 627 Cb 0.04 -0.06 0.00 0.00 0.54 0.00 0.00 39.64 40.16 1ru3 n ILE 627 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ru3 n GLY 628 N 1.15 0.56 3.06 4.50 0.00 -0.36 -5.05 105.19 109.05 1ru3 n GLY 628 Ca 0.19 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1ru3 n GLY 628 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ru3 s MET 629 N -1.12 0.52 0.46 1.61 -1.94 -1.25 -4.95 119.30 112.63 1ru3 s MET 629 Ca 0.00 -0.97 0.04 0.00 -1.71 0.00 0.00 55.69 53.05 1ru3 s MET 629 Cb 0.00 0.19 0.01 0.00 2.01 0.00 0.00 34.83 37.04 1ru3 s MET 629 CO 0.00 -0.10 0.65 0.95 -0.01 0.00 0.00 175.02 176.51 1ru3 s THR 630 N -3.00 3.26 0.28 2.05 -4.23 -1.26 -2.72 115.64 110.01 1ru3 s THR 630 Ca -0.02 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1ru3 s THR 630 Cb 0.01 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.98 1ru3 s THR 630 CO -0.07 -0.09 1.66 0.15 -0.54 0.00 0.00 174.62 175.73 1ru3 h PHE 631 N 0.42 0.36 -0.05 3.99 3.04 -1.81 -1.14 116.94 121.75 1ru3 h PHE 631 Ca -0.43 0.05 -0.16 0.00 3.98 0.00 0.00 57.97 61.41 1ru3 h PHE 631 Cb 1.28 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1ru3 h PHE 631 CO 0.40 -0.16 -0.66 0.77 -2.02 0.00 0.00 178.31 176.64 1ru3 h SER 632 N 0.25 0.25 -0.09 0.41 0.02 -1.93 0.33 113.55 112.79 1ru3 h SER 632 Ca 0.52 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1ru3 h SER 632 Cb 1.00 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1ru3 h SER 632 CO -0.61 0.84 -0.03 0.74 -1.14 0.00 0.00 176.83 176.64 1ru3 h THR 633 N 0.15 1.31 -0.62 -2.27 2.02 -1.63 -2.45 112.91 109.41 1ru3 h THR 633 Ca -0.01 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.22 1ru3 h THR 633 Cb 1.20 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.34 1ru3 h THR 633 CO 0.10 0.28 0.35 -0.07 0.37 0.00 0.00 175.52 176.55 1ru3 h LEU 634 N -0.17 0.54 -1.00 2.58 3.38 -1.21 -1.54 115.31 117.89 1ru3 h LEU 634 Ca 0.02 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1ru3 h LEU 634 Cb 0.45 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 1ru3 h LEU 634 CO 0.01 0.36 0.61 0.00 0.09 0.00 0.00 178.44 179.51 1ru3 h ALA 635 N 1.31 1.65 -0.39 1.53 0.00 -0.18 0.12 119.26 123.29 1ru3 h ALA 635 Ca 0.27 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1ru3 h ALA 635 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ru3 h ALA 635 CO -0.15 -0.03 0.26 0.78 0.00 0.00 0.00 179.25 180.11 1ru3 h GLY 636 N 0.78 0.53 1.30 0.00 0.00 -0.79 -0.88 103.07 104.00 1ru3 h GLY 636 Ca 0.57 -0.20 -0.30 0.00 0.00 0.00 0.00 47.33 47.40 1ru3 h GLY 636 CO -0.37 0.19 -1.49 -0.33 0.00 0.00 0.00 176.54 174.54 1ru3 h MET 637 N 0.51 0.24 0.00 4.80 2.07 -0.79 -3.39 114.93 118.37 1ru3 h MET 637 Ca 0.14 -0.40 -0.22 0.00 -2.07 0.00 0.00 59.70 57.15 1ru3 h MET 637 Cb -0.03 0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 1ru3 h MET 637 CO -0.03 1.10 -1.20 0.28 1.07 0.00 0.00 176.91 178.14 1ru3 h VAL 638 N 0.06 1.27 -3.50 -2.22 2.07 -0.81 -3.48 116.25 109.65 1ru3 h VAL 638 Ca -0.22 -2.97 -0.26 0.00 0.82 0.00 0.00 66.70 64.06 1ru3 h VAL 638 Cb 2.00 2.61 0.09 0.00 -1.52 0.00 0.00 31.29 34.47 1ru3 h VAL 638 CO 0.16 0.72 0.20 0.61 0.02 0.00 0.00 177.57 179.29 1ru3 n GLY 639 N 1.40 -0.82 0.91 2.17 0.00 -0.36 -4.16 105.19 104.34 1ru3 n GLY 639 Ca -0.06 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1ru3 n GLY 639 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru3 n GLY 640 N -0.05 0.78 2.78 -0.02 0.00 -0.01 -4.32 105.19 104.35 1ru3 n GLY 640 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1ru3 n GLY 640 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru3 n GLY 641 N -2.39 -0.22 3.41 -0.02 0.00 0.02 -4.72 105.19 101.27 1ru3 n GLY 641 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1ru3 n GLY 641 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ru3 s THR 642 N -3.07 2.53 -0.19 2.61 -1.32 -1.26 -4.47 115.64 110.46 1ru3 s THR 642 Ca 0.27 -1.28 -0.27 0.00 -1.21 0.00 0.00 61.69 59.21 1ru3 s THR 642 Cb -0.12 -2.04 -0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1ru3 s THR 642 CO 0.34 0.34 0.93 -1.58 -2.21 0.00 0.00 174.62 172.44 1ru3 s GLN 643 N -1.37 4.28 -0.68 7.08 0.74 -1.26 -4.61 119.66 123.85 1ru3 s GLN 643 Ca 0.13 1.18 0.05 0.00 0.05 0.00 0.00 55.36 56.77 1ru3 s GLN 643 Cb -0.10 -3.60 0.17 0.00 1.10 0.00 0.00 33.01 30.58 1ru3 s GLN 643 CO 0.04 -0.46 0.50 0.25 -0.55 0.00 0.00 175.29 175.07 1ru3 n THR 644 N 4.99 1.39 -1.59 -0.34 -2.24 -1.26 -5.02 114.28 110.21 1ru3 n THR 644 Ca 0.08 -4.75 -0.52 0.00 -2.27 0.00 0.00 64.05 56.59 1ru3 n THR 644 Cb 0.48 -2.13 -0.06 0.00 -2.10 0.00 0.00 70.33 66.52 1ru3 n THR 644 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ru3 n PRO 645 N 1.98 1.14 -0.10 -0.78 -0.04 -1.26 -1.41 135.00 134.52 1ru3 n PRO 645 Ca 0.21 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1ru3 n PRO 645 Cb 0.37 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1ru3 n PRO 645 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ru3 n GLY 646 N 2.47 0.62 2.97 0.55 0.00 0.33 -4.95 105.19 107.18 1ru3 n GLY 646 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1ru3 n GLY 646 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ru3 s PHE 647 N -2.32 0.29 -0.28 1.61 0.40 -0.50 -1.10 117.98 116.09 1ru3 s PHE 647 Ca 0.00 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.70 1ru3 s PHE 647 Cb 0.00 -0.20 0.09 0.00 0.51 0.00 0.00 43.02 43.42 1ru3 s PHE 647 CO 0.00 -0.13 0.79 1.41 0.70 0.00 0.00 175.22 177.99 1ru3 s MET 648 N -1.17 0.70 -0.03 0.44 1.75 -0.71 -4.64 119.30 115.65 1ru3 s MET 648 Ca -0.11 0.96 -0.21 0.00 -1.25 0.00 0.00 55.69 55.07 1ru3 s MET 648 Cb -0.08 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.82 1ru3 s MET 648 CO -0.01 -0.10 0.63 0.20 -0.65 0.00 0.00 175.02 175.09 1ru3 s GLY 649 N 0.79 2.61 0.09 2.11 0.00 -1.26 -1.21 107.32 110.45 1ru3 s GLY 649 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.72 1ru3 s GLY 649 CO -0.08 0.89 0.06 -0.26 0.00 0.00 0.00 173.10 173.71 1ru3 s ILE 650 N 0.15 0.16 0.34 0.90 -4.36 0.22 -4.83 121.20 113.77 1ru3 s ILE 650 Ca 0.33 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 58.82 1ru3 s ILE 650 Cb -0.18 -1.71 -0.09 0.00 1.25 0.00 0.00 42.46 41.73 1ru3 s ILE 650 CO 0.17 -0.71 0.79 -0.83 0.24 0.00 0.00 174.94 174.61 1ru3 s GLY 651 N -2.96 2.39 0.28 6.27 0.00 -1.20 -1.54 107.32 110.56 1ru3 s GLY 651 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 1ru3 s GLY 651 CO -0.05 0.40 1.89 0.50 0.00 0.00 0.00 173.10 175.84 1ru3 h LYS 652 N 2.32 1.08 0.00 2.90 1.57 -1.88 -2.03 116.57 120.52 1ru3 h LYS 652 Ca -0.48 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1ru3 h LYS 652 Cb 1.18 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1ru3 h LYS 652 CO 0.64 0.72 -0.05 0.66 -0.57 0.00 0.00 179.45 180.85 1ru3 h SER 653 N 1.11 0.00 0.10 0.86 4.64 -1.96 -2.16 113.55 116.16 1ru3 h SER 653 Ca 0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 1ru3 h SER 653 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ru3 h SER 653 CO -0.17 0.05 -0.09 0.22 -0.87 0.00 0.00 176.83 175.97 1ru3 h TYR 654 N 0.00 0.00 -0.29 4.77 3.20 -1.72 -1.86 116.97 121.07 1ru3 h TYR 654 Ca -0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1ru3 h TYR 654 Cb 0.26 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ru3 h TYR 654 CO 0.00 0.09 0.24 0.82 -1.64 0.00 0.00 178.16 177.66 1ru3 h ILE 655 N 0.00 0.70 -0.23 1.81 2.04 -1.52 -0.36 117.51 119.95 1ru3 h ILE 655 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ru3 h ILE 655 Cb 0.16 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1ru3 h ILE 655 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1ru3 n GLY 656 N -1.54 1.40 3.77 5.37 0.00 -0.70 -4.87 105.19 108.61 1ru3 n GLY 656 Ca 0.04 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1ru3 n GLY 656 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ru3 s SER 657 N -1.71 5.91 0.46 1.61 0.15 -0.14 -4.91 113.70 115.06 1ru3 s SER 657 Ca 0.34 2.34 0.30 0.00 0.70 0.00 0.00 55.95 59.63 1ru3 s SER 657 Cb 0.21 -2.60 1.19 0.00 -1.71 0.00 0.00 66.02 63.11 1ru3 s SER 657 CO 0.31 -1.10 1.88 0.03 1.20 0.00 0.00 173.24 175.56 1ru3 h ARG 658 N 1.73 0.00 -0.16 5.44 3.08 -1.87 -2.69 114.38 119.92 1ru3 h ARG 658 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1ru3 h ARG 658 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1ru3 h ARG 658 CO 0.59 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.12 1ru3 n LYS 659 N -2.83 2.07 -1.48 0.04 4.76 -1.26 -4.81 118.16 114.65 1ru3 n LYS 659 Ca 0.01 -1.59 -0.43 0.00 -2.87 0.00 0.00 58.31 53.43 1ru3 n LYS 659 Cb 0.30 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.92 1ru3 n LYS 659 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ru3 n PHE 660 N 0.86 0.90 -4.39 2.13 7.35 -1.02 -1.62 117.46 121.67 1ru3 n PHE 660 Ca 0.17 0.36 -0.40 0.00 -0.76 0.00 0.00 57.45 56.82 1ru3 n PHE 660 Cb 0.48 -2.44 -0.05 0.00 0.35 0.00 0.00 39.48 37.81 1ru3 n PHE 660 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ru3 n VAL 661 N 7.47 -0.48 -0.35 -2.13 0.31 -1.26 -3.92 118.33 117.97 1ru3 n VAL 661 Ca 0.57 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.98 1ru3 n VAL 661 Cb 0.15 -1.06 0.27 0.00 -0.91 0.00 0.00 33.84 32.30 1ru3 n VAL 661 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ru3 h LYS 662 N -1.16 0.89 0.00 5.55 3.64 -1.20 0.14 116.57 124.43 1ru3 h LYS 662 Ca -0.59 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 1ru3 h LYS 662 Cb 1.39 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ru3 h LYS 662 CO 0.84 0.59 0.00 0.00 -2.27 0.00 0.00 179.45 178.61 1ru3 n ALA 663 N -2.35 1.73 1.04 5.00 0.00 0.20 -2.40 120.51 123.72 1ru3 n ALA 663 Ca 0.20 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1ru3 n ALA 663 Cb 0.41 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.59 1ru3 n ALA 663 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ru3 n ASP 664 N -1.97 2.16 0.00 0.00 8.00 0.44 -4.92 116.55 120.26 1ru3 n ASP 664 Ca 0.03 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1ru3 n ASP 664 Cb 0.23 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1ru3 n ASP 664 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ru3 n GLY 665 N 1.39 1.47 7.00 0.44 0.00 -1.01 -4.88 105.19 109.60 1ru3 n GLY 665 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ru3 n GLY 665 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru3 n GLY 666 N -0.06 0.62 0.37 -0.02 0.00 -0.88 -3.69 105.19 101.53 1ru3 n GLY 666 Ca 0.00 -0.76 0.16 0.00 0.00 0.00 0.00 46.02 45.42 1ru3 n GLY 666 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ru3 h LEU 667 N 0.00 0.65 -2.01 0.99 5.85 -1.90 -0.41 115.31 118.48 1ru3 h LEU 667 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ru3 h LEU 667 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1ru3 h LEU 667 CO 0.00 0.20 0.02 0.00 -0.34 0.00 0.00 178.44 178.32 1ru3 h ALA 668 N 1.65 1.01 0.00 1.25 0.00 -1.98 0.61 119.26 121.80 1ru3 h ALA 668 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1ru3 h ALA 668 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ru3 h ALA 668 CO -0.35 -0.01 -0.17 -2.13 0.00 0.00 0.00 179.25 176.59 1ru3 n ARG 669 N -2.57 0.25 -3.06 0.00 3.00 -0.16 -3.38 116.66 110.74 1ru3 n ARG 669 Ca -0.02 0.17 -0.41 0.00 -0.00 0.00 0.00 57.85 57.59 1ru3 n ARG 669 Cb 0.06 -1.75 -0.06 0.00 0.00 0.00 0.00 32.46 30.71 1ru3 n ARG 669 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ru3 s VAL 670 N -3.11 4.92 -0.71 5.15 0.11 0.20 -0.87 120.40 126.11 1ru3 s VAL 670 Ca 0.10 1.13 0.18 0.00 -2.93 0.00 0.00 61.98 60.46 1ru3 s VAL 670 Cb 0.13 -4.01 -0.21 0.00 -1.53 0.00 0.00 36.38 30.77 1ru3 s VAL 670 CO 0.63 -0.07 0.70 1.33 -3.33 0.00 0.00 175.10 174.36 1ru3 n VAL 671 N 5.30 0.00 -3.62 2.04 0.24 -0.12 -4.74 118.33 117.43 1ru3 n VAL 671 Ca 0.01 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 1ru3 n VAL 671 Cb 0.49 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 1ru3 n VAL 671 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1ru3 s TRP 672 N -2.77 -0.77 -0.08 6.34 -0.00 -1.18 -1.16 118.94 119.32 1ru3 s TRP 672 Ca 0.05 1.83 -0.30 0.00 -0.00 0.00 0.00 56.10 57.68 1ru3 s TRP 672 Cb 0.13 0.28 0.09 0.00 -0.00 0.00 0.00 33.47 33.98 1ru3 s TRP 672 CO 0.73 -0.40 0.80 0.00 -0.00 0.00 0.00 176.95 178.08 1ru3 s MET 673 N 0.21 0.90 0.51 5.86 0.23 -0.75 -1.32 119.30 124.92 1ru3 s MET 673 Ca -0.01 0.18 -0.23 0.00 -1.03 0.00 0.00 55.69 54.60 1ru3 s MET 673 Cb -0.04 0.42 -0.07 0.00 -1.53 0.00 0.00 34.83 33.61 1ru3 s MET 673 CO 0.02 -0.29 1.28 -2.30 -2.03 0.00 0.00 175.02 171.70 1ru3 n PRO 674 N 0.77 1.70 -0.27 3.16 -0.02 -1.26 -4.17 135.00 134.92 1ru3 n PRO 674 Ca -0.16 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 1ru3 n PRO 674 Cb 0.58 -2.46 0.17 0.00 -0.02 0.00 0.00 33.50 31.77 1ru3 n PRO 674 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ru3 h LYS 675 N 1.57 0.58 -0.65 -0.52 3.64 -1.94 -0.25 116.57 119.01 1ru3 h LYS 675 Ca -0.49 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1ru3 h LYS 675 Cb 1.31 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1ru3 h LYS 675 CO 0.57 0.39 0.32 -0.44 -2.27 0.00 0.00 179.45 178.02 1ru3 h ASP 676 N 0.60 0.84 -0.38 4.20 3.32 -2.00 -1.21 116.42 121.79 1ru3 h ASP 676 Ca 0.40 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1ru3 h ASP 676 Cb 0.49 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1ru3 h ASP 676 CO -0.32 0.73 0.09 0.25 -1.72 0.00 0.00 179.24 178.27 1ru3 h LEU 677 N 0.89 0.59 -0.86 1.55 5.85 -1.75 0.29 115.31 121.87 1ru3 h LEU 677 Ca 0.22 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1ru3 h LEU 677 Cb 0.10 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1ru3 h LEU 677 CO -0.03 0.68 0.53 0.50 -0.34 0.00 0.00 178.44 179.78 1ru3 h LYS 678 N 0.48 0.92 -0.41 1.25 3.64 -0.78 -1.41 116.57 120.26 1ru3 h LYS 678 Ca 0.12 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1ru3 h LYS 678 Cb 0.32 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1ru3 h LYS 678 CO 0.00 0.61 -0.32 1.49 -2.27 0.00 0.00 179.45 178.96 1ru3 h GLU 679 N 0.95 0.94 0.00 1.90 4.57 -0.84 -1.04 114.58 121.05 1ru3 h GLU 679 Ca 0.39 -0.46 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1ru3 h GLU 679 Cb 0.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1ru3 h GLU 679 CO -0.19 1.12 -0.02 0.37 -1.18 0.00 0.00 179.01 179.11 1ru3 h GLN 680 N 0.77 0.00 -0.26 1.92 4.15 -0.33 -2.06 115.11 119.30 1ru3 h GLN 680 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1ru3 h GLN 680 Cb 0.91 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1ru3 h GLN 680 CO 0.08 0.02 0.00 1.28 -1.93 0.00 0.00 178.83 178.29 1ru3 n LEU 681 N -4.07 3.29 -0.37 -2.39 4.77 -0.59 -4.80 117.00 112.86 1ru3 n LEU 681 Ca -0.03 -2.57 -0.09 0.00 -0.03 0.00 0.00 56.01 53.29 1ru3 n LEU 681 Cb 0.11 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1ru3 n LEU 681 CO 0.30 0.69 0.51 -0.09 -1.33 0.00 0.00 177.39 177.47 1ru3 h ARG 682 N 1.64 -0.06 -0.45 3.23 2.43 -0.44 -0.48 114.38 120.25 1ru3 h ARG 682 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1ru3 h ARG 682 Cb 1.08 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1ru3 h ARG 682 CO 0.11 -0.04 0.21 0.66 -1.51 0.00 0.00 179.97 179.40 1ru3 h SER 683 N -0.06 0.60 0.65 -3.80 4.64 -1.87 0.61 113.55 114.32 1ru3 h SER 683 Ca 0.19 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1ru3 h SER 683 Cb 0.48 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1ru3 h SER 683 CO -0.90 0.57 -0.49 -0.29 -0.87 0.00 0.00 176.83 174.86 1ru3 h ILE 684 N 0.59 1.21 -0.08 0.95 2.10 -1.81 -2.07 117.51 118.40 1ru3 h ILE 684 Ca 0.15 -1.75 -0.16 0.00 1.08 0.00 0.00 64.86 64.18 1ru3 h ILE 684 Cb 0.14 1.98 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1ru3 h ILE 684 CO -0.02 0.48 -0.63 0.40 -1.08 0.00 0.00 178.15 177.30 1ru3 h ILE 685 N 0.00 1.39 -0.33 2.19 2.04 -0.73 -1.18 117.51 120.89 1ru3 h ILE 685 Ca -0.00 -2.03 -0.10 0.00 1.00 0.00 0.00 64.86 63.72 1ru3 h ILE 685 Cb 0.94 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1ru3 h ILE 685 CO 0.06 0.60 -0.20 -0.33 0.00 0.00 0.00 178.15 178.28 1ru3 h GLU 686 N 0.21 0.71 -0.15 2.37 5.08 -0.55 0.68 114.58 122.93 1ru3 h GLU 686 Ca -0.01 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1ru3 h GLU 686 Cb 1.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1ru3 h GLU 686 CO 0.10 0.94 -0.01 1.49 -1.00 0.00 0.00 179.01 180.53 1ru3 h GLU 687 N 0.48 0.26 -0.39 2.33 4.81 -1.31 -1.62 114.58 119.14 1ru3 h GLU 687 Ca 0.07 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ru3 h GLU 687 Cb 0.75 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1ru3 h GLU 687 CO 0.06 0.51 0.25 0.00 -0.73 0.00 0.00 179.01 179.09 1ru3 h ARG 688 N -0.01 0.53 -0.05 1.92 2.47 -1.22 -0.74 114.38 117.28 1ru3 h ARG 688 Ca 0.04 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1ru3 h ARG 688 Cb 0.40 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1ru3 h ARG 688 CO 0.01 0.37 -0.03 0.00 0.56 0.00 0.00 179.97 180.88 1ru3 h ALA 689 N 1.12 1.85 0.07 0.04 0.00 -0.76 -0.30 119.26 121.28 1ru3 h ALA 689 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ru3 h ALA 689 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ru3 h ALA 689 CO -0.03 0.12 -0.03 1.49 0.00 0.00 0.00 179.25 180.80 1ru3 h GLU 690 N 0.07 -0.08 -0.24 0.00 4.81 -0.54 0.17 114.58 118.77 1ru3 h GLU 690 Ca 0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1ru3 h GLU 690 Cb 0.11 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1ru3 h GLU 690 CO 0.00 0.44 0.03 0.93 -0.73 0.00 0.00 179.01 179.69 1ru3 h GLU 691 N -0.67 0.35 0.00 1.92 5.08 -0.87 -2.15 114.58 118.24 1ru3 h GLU 691 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ru3 h GLU 691 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ru3 h GLU 691 CO 0.01 0.35 0.00 -1.91 -1.00 0.00 0.00 179.01 176.46 1ru3 n GLU 692 N -4.37 0.03 -1.10 2.33 4.07 -0.15 -4.90 120.64 116.55 1ru3 n GLU 692 Ca 0.01 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1ru3 n GLU 692 Cb 0.17 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 1ru3 n GLU 692 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ru3 n GLY 693 N 1.20 0.44 0.06 8.31 0.00 -0.81 -4.91 105.19 109.49 1ru3 n GLY 693 Ca 0.06 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.22 1ru3 n GLY 693 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ru3 n LEU 694 N 0.00 0.62 0.00 0.99 4.77 0.55 -5.04 117.00 118.89 1ru3 n LEU 694 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ru3 n LEU 694 Cb 0.09 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ru3 n LEU 694 CO 0.00 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1ru3 n GLY 695 N 1.29 2.04 0.32 -0.72 0.00 -0.90 -4.28 105.19 102.95 1ru3 n GLY 695 Ca 0.01 -1.61 0.18 0.00 0.00 0.00 0.00 46.02 44.60 1ru3 n GLY 695 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ru3 n ARG 696 N 1.94 -0.07 -0.68 1.61 1.74 -1.26 -0.79 116.66 119.15 1ru3 n ARG 696 Ca 0.00 1.40 0.04 0.00 -0.77 0.00 0.00 57.85 58.52 1ru3 n ARG 696 Cb 0.00 -2.28 0.29 0.00 -1.02 0.00 0.00 32.46 29.45 1ru3 n ARG 696 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ru3 n ASP 697 N -5.35 4.45 -0.34 0.55 5.68 -1.26 -4.51 116.55 115.77 1ru3 n ASP 697 Ca 0.25 -2.71 0.12 0.00 -0.50 0.00 0.00 54.79 51.95 1ru3 n ASP 697 Cb 0.84 -0.65 0.31 0.00 -1.14 0.00 0.00 41.12 40.48 1ru3 n ASP 697 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1ru3 h PHE 698 N 2.83 0.97 -0.92 2.11 3.57 -1.14 -0.72 116.94 123.63 1ru3 h PHE 698 Ca 0.03 0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.79 1ru3 h PHE 698 Cb 1.64 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 1ru3 h PHE 698 CO 0.83 0.19 0.63 -0.84 -2.23 0.00 0.00 178.31 176.89 1ru3 h ILE 699 N 0.69 0.61 0.00 1.41 3.07 -1.83 0.27 117.51 121.73 1ru3 h ILE 699 Ca 0.56 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.87 1ru3 h ILE 699 Cb 0.89 0.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.75 1ru3 h ILE 699 CO -0.40 0.05 0.00 0.47 -1.05 0.00 0.00 178.15 177.22 1ru3 n ASP 700 N -4.45 0.36 0.12 2.16 8.00 -0.28 -2.90 116.55 119.56 1ru3 n ASP 700 Ca 0.20 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.37 1ru3 n ASP 700 Cb 0.81 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 41.35 1ru3 n ASP 700 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1ru3 h LYS 701 N 0.00 0.00 -6.32 -1.24 1.57 -0.55 -3.45 116.57 106.58 1ru3 h LYS 701 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1ru3 h LYS 701 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1ru3 h LYS 701 CO 0.00 0.00 1.01 0.42 -0.57 0.00 0.00 179.45 180.31 1ru3 s ILE 702 N -3.29 4.01 0.93 1.86 1.01 -1.14 -4.77 121.20 119.81 1ru3 s ILE 702 Ca 0.03 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.71 1ru3 s ILE 702 Cb 0.09 -4.00 0.15 0.00 0.01 0.00 0.00 42.46 38.71 1ru3 s ILE 702 CO 0.75 -0.39 1.09 0.00 0.00 0.00 0.00 174.94 176.39 1ru3 s ALA 703 N 4.55 1.28 0.26 9.38 0.00 -0.31 -4.86 121.76 132.07 1ru3 s ALA 703 Ca 0.61 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1ru3 s ALA 703 Cb -0.20 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1ru3 s ALA 703 CO 0.24 -2.60 0.32 -0.40 0.00 0.00 0.00 175.76 173.32 1ru3 n ASP 704 N -4.07 -0.87 0.27 0.00 5.68 -1.26 -1.82 116.55 114.48 1ru3 n ASP 704 Ca 0.07 -2.51 0.18 0.00 -0.50 0.00 0.00 54.79 52.04 1ru3 n ASP 704 Cb 0.54 1.72 0.90 0.00 -1.14 0.00 0.00 41.12 43.14 1ru3 n ASP 704 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1ru3 h GLU 705 N 0.00 0.00 0.00 0.11 9.09 -1.76 0.12 114.58 122.14 1ru3 h GLU 705 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 1ru3 h GLU 705 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 1ru3 h GLU 705 CO 0.27 0.00 0.00 1.79 0.05 0.00 0.00 179.01 181.12 1ru3 h THR 706 N 0.00 0.00 0.09 -1.06 1.35 -1.96 -3.13 112.91 108.20 1ru3 h THR 706 Ca 0.00 -0.93 -0.21 0.00 -0.55 0.00 0.00 66.41 64.72 1ru3 h THR 706 Cb 0.18 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1ru3 h THR 706 CO 0.00 0.00 -1.07 0.58 -0.25 0.00 0.00 175.52 174.78 1ru3 h VAL 707 N 0.00 1.23 0.00 6.82 2.07 -1.26 -3.50 116.25 121.61 1ru3 h VAL 707 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1ru3 h VAL 707 Cb 0.95 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1ru3 h VAL 707 CO 0.00 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1ru3 n GLY 708 N 1.67 0.97 0.00 2.17 0.00 -0.08 -4.78 105.19 105.15 1ru3 n GLY 708 Ca -0.21 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1ru3 n GLY 708 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ru3 n THR 709 N -0.36 0.67 -4.33 2.61 -2.24 -1.26 -3.85 114.28 105.51 1ru3 n THR 709 Ca 0.00 -0.75 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 1ru3 n THR 709 Cb 0.00 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1ru3 n THR 709 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ru3 s THR 710 N -0.67 1.71 0.18 4.28 -4.23 -1.26 -2.67 115.64 112.98 1ru3 s THR 710 Ca 0.00 -2.13 -0.08 0.00 -1.18 0.00 0.00 61.69 58.29 1ru3 s THR 710 Cb 0.00 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1ru3 s THR 710 CO 0.00 -0.55 1.63 -0.37 -0.54 0.00 0.00 174.62 174.79 1ru3 h VAL 711 N 2.73 1.27 -0.84 2.29 -1.51 -1.95 -1.83 116.25 116.41 1ru3 h VAL 711 Ca -0.39 -1.22 0.02 0.00 -1.23 0.00 0.00 66.70 63.88 1ru3 h VAL 711 Cb 1.22 0.91 -0.05 0.00 -2.13 0.00 0.00 31.29 31.24 1ru3 h VAL 711 CO 0.60 0.44 0.56 0.44 -1.23 0.00 0.00 177.57 178.37 1ru3 h ASP 712 N 0.92 0.93 0.77 4.19 3.32 -1.97 0.60 116.42 125.18 1ru3 h ASP 712 Ca 0.15 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1ru3 h ASP 712 Cb 0.63 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1ru3 h ASP 712 CO 0.04 0.65 -0.57 -0.33 -1.72 0.00 0.00 179.24 177.31 1ru3 h GLU 713 N 1.09 0.00 0.00 3.56 5.08 -1.88 -3.32 114.58 119.11 1ru3 h GLU 713 Ca 0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.46 1ru3 h GLU 713 Cb -0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1ru3 h GLU 713 CO -0.08 0.57 -1.41 0.28 -1.00 0.00 0.00 179.01 177.37 1ru3 h VAL 714 N 0.00 0.85 -0.16 3.13 2.07 -0.27 -3.40 116.25 118.47 1ru3 h VAL 714 Ca -0.01 -2.52 0.02 0.00 0.82 0.00 0.00 66.70 65.01 1ru3 h VAL 714 Cb 1.12 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1ru3 h VAL 714 CO 0.07 0.48 0.03 0.25 0.02 0.00 0.00 177.57 178.43 1ru3 h LEU 715 N 0.00 0.01 -0.75 2.57 7.12 -1.05 -2.52 115.31 120.70 1ru3 h LEU 715 Ca -0.18 0.02 0.17 0.00 0.13 0.00 0.00 57.88 58.02 1ru3 h LEU 715 Cb 1.78 0.03 -0.12 0.00 -0.53 0.00 0.00 40.66 41.82 1ru3 h LEU 715 CO 0.07 0.03 0.13 -0.65 -0.13 0.00 0.00 178.44 177.89 1ru3 h PRO 716 N 0.10 0.20 -0.63 5.25 0.11 -1.77 0.47 132.00 135.72 1ru3 h PRO 716 Ca 0.07 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1ru3 h PRO 716 Cb 0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1ru3 h PRO 716 CO -0.09 0.13 0.11 0.35 -0.21 0.00 0.00 178.00 178.29 1ru3 h PHE 717 N 0.20 1.10 -0.42 0.65 3.57 -1.74 0.39 116.94 120.69 1ru3 h PHE 717 Ca 0.42 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 1ru3 h PHE 717 Cb 0.75 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1ru3 h PHE 717 CO -0.31 0.93 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.38 1ru3 h LEU 718 N 0.94 0.91 0.33 0.59 3.38 -0.61 -1.41 115.31 119.45 1ru3 h LEU 718 Ca 0.19 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1ru3 h LEU 718 Cb 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ru3 h LEU 718 CO 0.01 1.11 -0.16 -0.33 0.09 0.00 0.00 178.44 179.17 1ru3 h GLU 719 N 0.76 -0.43 -0.97 1.13 5.08 -0.79 0.18 114.58 119.54 1ru3 h GLU 719 Ca 0.09 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.73 1ru3 h GLU 719 Cb 0.81 0.10 -0.18 0.00 0.50 0.00 0.00 28.75 29.97 1ru3 h GLU 719 CO 0.07 -0.29 -0.05 1.49 -1.00 0.00 0.00 179.01 179.23 1ru3 h GLU 720 N -0.46 0.01 -0.00 2.33 4.81 -0.92 1.46 114.58 121.81 1ru3 h GLU 720 Ca -0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ru3 h GLU 720 Cb 0.34 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1ru3 h GLU 720 CO 0.08 0.01 -0.01 1.63 -0.73 0.00 0.00 179.01 179.99 1ru3 n LYS 721 N -5.52 0.59 -3.53 1.92 4.76 -0.53 -4.91 118.16 110.94 1ru3 n LYS 721 Ca 0.21 -0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.43 1ru3 n LYS 721 Cb 0.67 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.45 1ru3 n LYS 721 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ru3 n GLY 722 N 1.21 -0.44 3.66 0.72 0.00 0.50 -4.87 105.19 105.97 1ru3 n GLY 722 Ca 0.17 0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.89 1ru3 n GLY 722 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ru3 n HIS 723 N -4.51 2.21 0.09 1.61 -0.00 0.48 -4.88 115.22 110.21 1ru3 n HIS 723 Ca -0.16 0.30 0.08 0.00 0.46 0.00 0.00 57.72 58.40 1ru3 n HIS 723 Cb 0.62 -2.53 0.55 0.00 -0.12 0.00 0.00 29.99 28.51 1ru3 n HIS 723 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ru3 h PRO 724 N 5.80 0.25 -0.39 1.57 0.13 -1.89 -2.23 132.00 135.24 1ru3 h PRO 724 Ca -0.45 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1ru3 h PRO 724 Cb 1.26 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1ru3 h PRO 724 CO 0.88 0.17 0.35 0.00 -0.23 0.00 0.00 178.00 179.16 1ru3 h ALA 725 N 1.84 2.19 0.00 -0.56 0.00 -1.89 0.13 119.26 120.96 1ru3 h ALA 725 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ru3 h ALA 725 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ru3 h ALA 725 CO -0.02 -0.55 0.00 -0.07 0.00 0.00 0.00 179.25 178.61 1ru3 h LEU 726 N 0.00 0.00 -2.19 0.00 3.38 -1.68 -2.36 115.31 112.46 1ru3 h LEU 726 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ru3 h LEU 726 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ru3 h LEU 726 CO -0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1ru3 n SER 727 N -2.59 2.86 -4.95 -0.43 7.64 0.45 -4.99 113.62 111.61 1ru3 n SER 727 Ca 0.00 -1.84 -0.23 0.00 1.01 0.00 0.00 58.87 57.81 1ru3 n SER 727 Cb 0.20 -0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.27 1ru3 n SER 727 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ru3 s MET 728 N -1.22 2.66 0.52 1.43 -1.94 -0.89 -5.05 119.30 114.82 1ru3 s MET 728 Ca 0.27 -0.48 -0.21 0.00 -1.71 0.00 0.00 55.69 53.57 1ru3 s MET 728 Cb 0.16 -2.40 -0.06 0.00 2.01 0.00 0.00 34.83 34.54 1ru3 s MET 728 CO 0.22 -0.71 1.16 -1.21 -0.01 0.00 0.00 175.02 174.47 1ru3 s GLU 729 N -4.85 3.43 0.58 2.03 0.41 -1.26 -4.97 118.70 114.08 1ru3 s GLU 729 Ca 0.55 1.72 -0.18 0.00 -0.41 0.00 0.00 54.97 56.65 1ru3 s GLU 729 Cb -0.10 -2.14 -0.04 0.00 -1.78 0.00 0.00 34.13 30.07 1ru3 s GLU 729 CO 0.41 -0.81 1.14 -1.25 -0.49 0.00 0.00 175.26 174.26 1ru3 s PRO 730 N -3.08 3.13 0.08 0.39 0.04 -1.26 -4.89 135.00 129.41 1ru3 s PRO 730 Ca 0.70 1.62 0.23 0.00 0.04 0.00 0.00 61.00 63.59 1ru3 s PRO 730 Cb -0.27 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.40 1ru3 s PRO 730 CO 0.31 -1.03 1.08 1.28 0.04 0.00 0.00 177.00 178.67 1ru3 n LEU 731 N -1.63 0.63 0.00 -3.56 4.77 -1.26 -5.19 117.00 110.77 1ru3 n LEU 731 Ca 0.12 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ru3 n LEU 731 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ru3 n LEU 731 CO 0.44 -0.01 0.00 0.18 -1.33 0.00 0.00 177.39 176.67