#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwa n GLY 5 N 0.00 5.35 0.36 0.55 0.00 -1.26 -5.00 105.19 105.19 1rwa n GLY 5 Ca 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.78 1rwa n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa h ALA 6 N 1.00 1.67 -0.36 4.61 0.00 -1.99 -1.37 119.26 122.82 1rwa h ALA 6 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1rwa h ALA 6 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rwa h ALA 6 CO 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 179.25 179.10 1rwa h ALA 7 N 1.57 0.52 -0.52 0.00 0.00 -1.99 -0.66 119.26 118.18 1rwa h ALA 7 Ca 0.41 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1rwa h ALA 7 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rwa h ALA 7 CO -0.17 0.56 -0.07 0.93 0.00 0.00 0.00 179.25 180.50 1rwa h GLU 8 N 0.63 0.96 -0.57 0.00 3.07 -1.68 -0.80 114.58 116.20 1rwa h GLU 8 Ca 0.07 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.48 1rwa h GLU 8 Cb 0.88 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1rwa h GLU 8 CO 0.08 1.01 -0.05 0.74 -1.40 0.00 0.00 179.01 179.39 1rwa h PHE 9 N 0.83 1.13 -0.60 4.33 -1.00 -1.26 -0.21 116.94 120.17 1rwa h PHE 9 Ca 0.14 -0.21 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1rwa h PHE 9 Cb 0.62 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1rwa h PHE 9 CO 0.04 1.02 0.20 0.00 -1.61 0.00 0.00 178.31 177.97 1rwa h ALA 10 N 1.00 0.78 -0.41 2.45 0.00 -0.90 -1.23 119.26 120.95 1rwa h ALA 10 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rwa h ALA 10 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1rwa h ALA 10 CO 0.04 0.43 0.27 0.00 0.00 0.00 0.00 179.25 179.99 1rwa h ALA 11 N 1.07 0.52 -0.67 0.00 0.00 -0.89 -0.77 119.26 118.51 1rwa h ALA 11 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rwa h ALA 11 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1rwa h ALA 11 CO -0.01 -0.04 0.28 -0.07 0.00 0.00 0.00 179.25 179.41 1rwa h LEU 12 N 0.54 0.91 -0.24 0.00 3.38 -0.80 0.28 115.31 119.39 1rwa h LEU 12 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rwa h LEU 12 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1rwa h LEU 12 CO -0.04 0.82 0.12 0.03 0.09 0.00 0.00 178.44 179.46 1rwa h ARG 13 N 0.94 0.34 -0.95 1.13 3.08 -1.02 -0.02 114.38 117.88 1rwa h ARG 13 Ca 0.22 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1rwa h ARG 13 Cb 0.19 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1rwa h ARG 13 CO -0.02 0.34 0.62 -0.91 -1.07 0.00 0.00 179.97 178.92 1rwa h ASN 14 N 0.26 1.03 -0.81 7.04 2.35 -0.92 -0.02 115.58 124.52 1rwa h ASN 14 Ca 0.08 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1rwa h ASN 14 Cb 0.10 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1rwa h ASN 14 CO -0.01 0.71 0.36 -0.09 -1.65 0.00 0.00 177.43 176.75 1rwa h ARG 15 N 1.20 1.19 -0.33 0.81 2.43 -0.46 -0.16 114.38 119.06 1rwa h ARG 15 Ca 0.38 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1rwa h ARG 15 Cb -0.01 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1rwa h ARG 15 CO -0.12 0.94 -0.23 2.35 -1.51 0.00 0.00 179.97 181.41 1rwa h TRP 16 N 1.17 0.87 -0.76 2.20 2.91 -0.49 -0.32 115.95 121.53 1rwa h TRP 16 Ca 0.28 -0.24 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1rwa h TRP 16 Cb 0.17 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.59 1rwa h TRP 16 CO 0.02 0.98 0.43 0.28 -1.03 0.00 0.00 178.44 179.12 1rwa h VAL 17 N 0.51 1.22 -0.32 2.65 2.07 -0.84 -0.42 116.25 121.12 1rwa h VAL 17 Ca 0.07 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1rwa h VAL 17 Cb 0.78 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1rwa h VAL 17 CO 0.06 0.24 0.18 0.44 0.02 0.00 0.00 177.57 178.51 1rwa h ASP 18 N 1.06 0.28 -0.31 0.57 3.32 -0.71 -0.86 116.42 119.77 1rwa h ASP 18 Ca 0.27 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1rwa h ASP 18 Cb 0.00 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1rwa h ASP 18 CO -0.05 0.21 0.08 -0.61 -1.72 0.00 0.00 179.24 177.15 1rwa h GLN 19 N 0.37 0.49 0.00 3.56 4.15 -0.31 -0.25 115.11 123.11 1rwa h GLN 19 Ca 0.13 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1rwa h GLN 19 Cb 0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1rwa h GLN 19 CO -0.07 0.55 -0.55 -0.84 -1.93 0.00 0.00 178.83 175.99 1rwa h ILE 20 N 0.34 0.22 0.00 2.39 3.07 -0.85 -3.31 117.51 119.37 1rwa h ILE 20 Ca 0.10 -1.34 -0.34 0.00 1.55 0.00 0.00 64.86 64.83 1rwa h ILE 20 Cb 0.28 1.94 -0.06 0.00 -0.27 0.00 0.00 36.82 38.70 1rwa h ILE 20 CO -0.00 0.12 -2.15 0.35 -1.05 0.00 0.00 178.15 175.42 1rwa n THR 21 N -2.98 1.43 -1.22 0.16 -2.24 -0.35 -4.75 114.28 104.34 1rwa n THR 21 Ca 0.01 -0.83 -0.08 0.00 -2.27 0.00 0.00 64.05 60.88 1rwa n THR 21 Cb 0.61 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 1rwa n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwa n GLY 22 N 1.67 0.97 0.28 3.38 0.00 -0.11 -4.56 105.19 106.83 1rwa n GLY 22 Ca -0.27 -0.61 0.15 0.00 0.00 0.00 0.00 46.02 45.29 1rwa n GLY 22 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rwa h ARG 23 N 0.05 0.00 -0.67 1.61 0.11 -1.83 -0.73 114.38 112.92 1rwa h ARG 23 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1rwa h ARG 23 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1rwa h ARG 23 CO 0.23 0.06 0.00 0.09 0.10 0.00 0.00 179.97 180.45 1rwa n ASN 24 N -3.52 4.75 0.00 0.08 3.02 -1.26 -4.42 115.26 113.90 1rwa n ASN 24 Ca -0.02 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 1rwa n ASN 24 Cb 0.18 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1rwa n ASN 24 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1rwa n VAL 25 N 1.22 0.06 -1.99 2.41 0.24 -0.31 -5.09 118.33 114.87 1rwa n VAL 25 Ca 0.26 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 62.06 1rwa n VAL 25 Cb 0.88 1.41 -0.03 0.00 -1.47 0.00 0.00 33.84 34.62 1rwa n VAL 25 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rwa s ILE 26 N -0.06 3.06 -0.23 1.34 1.01 -1.05 -4.92 121.20 120.36 1rwa s ILE 26 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1rwa s ILE 26 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1rwa s ILE 26 CO 0.00 0.01 0.15 -1.10 0.00 0.00 0.00 174.94 174.00 1rwa s GLN 27 N 2.14 4.05 0.13 2.79 -0.21 -1.26 -5.04 119.66 122.27 1rwa s GLN 27 Ca 0.71 -0.28 -0.31 0.00 0.02 0.00 0.00 55.36 55.49 1rwa s GLN 27 Cb -0.39 -3.50 -0.10 0.00 1.00 0.00 0.00 33.01 30.02 1rwa s GLN 27 CO 0.31 0.08 1.69 0.00 -2.12 0.00 0.00 175.29 175.25 1rwa s ALA 28 N 1.00 3.78 0.00 6.09 0.00 -1.26 -2.21 121.76 129.15 1rwa s ALA 28 Ca 0.07 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1rwa s ALA 28 Cb -0.13 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1rwa s ALA 28 CO 0.04 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1rwa n GLY 29 N 3.99 0.84 3.71 0.00 0.00 -1.26 -4.99 105.19 107.48 1rwa n GLY 29 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1rwa n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwa s ASP 30 N -2.76 7.28 0.30 1.61 -1.08 -0.94 -4.90 116.67 116.19 1rwa s ASP 30 Ca 0.00 1.80 0.10 0.00 -0.52 0.00 0.00 52.55 53.92 1rwa s ASP 30 Cb 0.00 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 1rwa s ASP 30 CO 0.00 -0.31 1.69 1.55 0.52 0.00 0.00 175.17 178.62 1rwa h PRO 31 N 6.66 0.08 -0.23 4.34 0.13 -1.94 -1.57 132.00 139.47 1rwa h PRO 31 Ca -0.41 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 1rwa h PRO 31 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rwa h PRO 31 CO 0.77 0.56 -0.52 -0.44 -0.23 0.00 0.00 178.00 178.13 1rwa h ASP 32 N 0.06 0.85 -0.96 1.44 3.32 -1.97 -1.92 116.42 117.25 1rwa h ASP 32 Ca -0.00 -0.56 0.01 0.00 0.02 0.00 0.00 57.03 56.50 1rwa h ASP 32 Cb 0.90 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1rwa h ASP 32 CO 0.07 1.26 0.64 -0.26 -1.72 0.00 0.00 179.24 179.22 1rwa h PHE 33 N 0.49 1.20 -0.74 4.55 -1.00 -1.83 -1.45 116.94 118.15 1rwa h PHE 33 Ca -0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1rwa h PHE 33 Cb 1.14 -0.41 -0.04 0.00 3.61 0.00 0.00 35.95 40.25 1rwa h PHE 33 CO 0.08 0.76 0.48 0.00 -1.61 0.00 0.00 178.31 178.02 1rwa h ALA 34 N 1.40 0.94 -0.13 2.45 0.00 -1.19 -0.55 119.26 122.19 1rwa h ALA 34 Ca 0.35 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1rwa h ALA 34 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1rwa h ALA 34 CO -0.08 0.38 -0.37 0.87 0.00 0.00 0.00 179.25 180.06 1rwa h LYS 35 N 1.01 0.27 -0.42 0.00 1.57 -0.99 -1.42 116.57 116.58 1rwa h LYS 35 Ca 0.27 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1rwa h LYS 35 Cb -0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1rwa h LYS 35 CO -0.06 0.60 0.01 0.00 -0.57 0.00 0.00 179.45 179.44 1rwa h ALA 36 N 1.39 0.57 -0.56 3.86 0.00 -0.66 -0.97 119.26 122.89 1rwa h ALA 36 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1rwa h ALA 36 Cb 0.75 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1rwa h ALA 36 CO 0.06 0.34 0.25 0.82 0.00 0.00 0.00 179.25 180.72 1rwa h ILE 37 N 0.58 1.21 -0.52 0.00 1.08 -0.84 -1.57 117.51 117.45 1rwa h ILE 37 Ca 0.12 -0.64 0.07 0.00 -0.39 0.00 0.00 64.86 64.03 1rwa h ILE 37 Cb 0.46 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 1rwa h ILE 37 CO 0.02 0.25 0.20 0.74 -0.69 0.00 0.00 178.15 178.67 1rwa h THR 38 N 0.77 0.84 -0.63 -0.27 2.02 -1.00 0.61 112.91 115.24 1rwa h THR 38 Ca 0.19 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1rwa h THR 38 Cb 0.16 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1rwa h THR 38 CO -0.02 0.07 0.22 0.00 0.37 0.00 0.00 175.52 176.16 1rwa h ALA 39 N 1.34 0.82 -0.32 6.16 0.00 -1.00 0.82 119.26 127.08 1rwa h ALA 39 Ca 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rwa h ALA 39 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1rwa h ALA 39 CO -0.24 0.47 0.19 1.25 0.00 0.00 0.00 179.25 180.92 1rwa h LEU 40 N 0.90 0.31 -0.63 0.00 5.85 -1.00 -2.09 115.31 118.64 1rwa h LEU 40 Ca 0.21 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1rwa h LEU 40 Cb 0.26 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1rwa h LEU 40 CO -0.01 0.22 0.33 0.78 -0.34 0.00 0.00 178.44 179.43 1rwa h ASN 41 N 0.39 0.80 -0.43 1.25 2.35 -0.57 -1.65 115.58 117.72 1rwa h ASN 41 Ca 0.12 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1rwa h ASN 41 Cb -0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1rwa h ASN 41 CO -0.06 0.68 -0.06 0.78 -1.65 0.00 0.00 177.43 177.13 1rwa h ASN 42 N 0.87 0.80 -0.44 5.81 2.35 -0.59 -0.30 115.58 124.07 1rwa h ASN 42 Ca 0.22 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1rwa h ASN 42 Cb 0.07 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1rwa h ASN 42 CO -0.03 0.95 0.23 0.50 -1.65 0.00 0.00 177.43 177.42 1rwa h LYS 43 N 0.63 0.62 -0.14 0.81 1.63 -1.33 -1.00 116.57 117.80 1rwa h LYS 43 Ca 0.12 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1rwa h LYS 43 Cb 0.57 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1rwa h LYS 43 CO 0.03 0.51 0.06 0.00 -3.45 0.00 0.00 179.45 176.60 1rwa h ALA 44 N 1.07 0.18 -0.98 5.00 0.00 -1.03 -0.67 119.26 122.83 1rwa h ALA 44 Ca 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1rwa h ALA 44 Cb 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1rwa h ALA 44 CO -0.02 -0.24 0.64 0.00 0.00 0.00 0.00 179.25 179.63 1rwa h ALA 45 N 0.91 1.40 -0.56 0.00 0.00 -1.01 0.64 119.26 120.64 1rwa h ALA 45 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rwa h ALA 45 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1rwa h ALA 45 CO -0.00 0.47 0.30 0.22 0.00 0.00 0.00 179.25 180.23 1rwa h ASP 46 N 1.18 0.70 -0.18 0.00 1.82 -0.39 -1.63 116.42 117.92 1rwa h ASP 46 Ca 0.41 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 1rwa h ASP 46 Cb 0.11 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1rwa h ASP 46 CO -0.15 0.60 0.00 0.28 -1.61 0.00 0.00 179.24 178.36 1rwa h SER 47 N 0.75 0.30 -0.89 2.28 0.02 -0.62 -2.74 113.55 112.64 1rwa h SER 47 Ca 0.20 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1rwa h SER 47 Cb 0.06 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 1rwa h SER 47 CO -0.03 0.53 0.58 -0.07 -1.14 0.00 0.00 176.83 176.70 1rwa h LEU 48 N 0.06 0.87 -1.27 5.07 3.38 -0.77 -1.80 115.31 120.86 1rwa h LEU 48 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1rwa h LEU 48 Cb 0.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rwa h LEU 48 CO 0.01 0.55 -0.04 0.00 0.09 0.00 0.00 178.44 179.05 1rwa h ALA 49 N 1.52 1.00 -0.08 1.53 0.00 -1.14 -2.69 119.26 119.41 1rwa h ALA 49 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1rwa h ALA 49 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rwa h ALA 49 CO -0.15 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.78 1rwa n LYS 50 N -3.15 2.09 -1.87 0.00 5.02 -0.70 -4.96 118.16 114.60 1rwa n LYS 50 Ca 0.01 -1.59 -0.42 0.00 -2.02 0.00 0.00 58.31 54.29 1rwa n LYS 50 Cb 0.35 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1rwa n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rwa s LEU 51 N -1.91 4.36 -0.34 -0.35 1.43 -1.02 -1.28 118.68 119.59 1rwa s LEU 51 Ca 0.33 2.81 -0.29 0.00 -1.03 0.00 0.00 54.13 55.95 1rwa s LEU 51 Cb 0.20 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1rwa s LEU 51 CO 0.31 -0.84 1.32 -0.62 0.23 0.00 0.00 176.35 176.76 1rwa s ASP 52 N 0.58 6.58 0.00 2.29 -1.08 0.02 -4.75 116.67 120.31 1rwa s ASP 52 Ca 0.64 1.08 0.24 0.00 -0.52 0.00 0.00 52.55 53.98 1rwa s ASP 52 Cb -0.46 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.04 1rwa s ASP 52 CO 0.43 -1.18 1.47 0.00 0.52 0.00 0.00 175.17 176.41 1rwa n ALA 53 N 7.94 2.48 -1.77 3.66 0.00 -1.26 -4.90 120.51 126.66 1rwa n ALA 53 Ca 0.15 -0.69 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 1rwa n ALA 53 Cb 0.47 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1rwa n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rwa s ALA 54 N -1.78 2.80 0.36 0.00 0.00 -1.26 -5.02 121.76 116.86 1rwa s ALA 54 Ca 0.34 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 1rwa s ALA 54 Cb 0.20 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 1rwa s ALA 54 CO 0.30 -0.77 1.29 0.00 0.00 0.00 0.00 175.76 176.58 1rwa s ALA 55 N -1.65 3.40 -1.17 0.00 0.00 -1.26 -3.18 121.76 117.90 1rwa s ALA 55 Ca 0.69 1.23 -0.10 0.00 0.00 0.00 0.00 51.96 53.78 1rwa s ALA 55 Cb -0.27 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.47 1rwa s ALA 55 CO 0.31 -0.68 0.41 0.41 0.00 0.00 0.00 175.76 176.21 1rwa n GLY 56 N 0.75 -0.47 3.62 0.00 0.00 -1.26 -4.93 105.19 102.90 1rwa n GLY 56 Ca 0.01 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1rwa n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rwa n ARG 57 N -3.55 1.53 -0.21 1.61 1.85 -1.19 -4.91 116.66 111.79 1rwa n ARG 57 Ca 0.01 0.54 0.10 0.00 -1.00 0.00 0.00 57.85 57.49 1rwa n ARG 57 Cb 0.52 -1.99 0.21 0.00 -1.05 0.00 0.00 32.46 30.15 1rwa n ARG 57 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1rwa n THR 58 N 0.11 0.67 -4.08 8.89 -1.04 -1.26 -4.95 114.28 112.61 1rwa n THR 58 Ca 0.08 -0.83 -0.08 0.00 -2.04 0.00 0.00 64.05 61.18 1rwa n THR 58 Cb 0.34 0.81 -0.10 0.00 -1.82 0.00 0.00 70.33 69.56 1rwa n THR 58 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1rwa s SER 59 N -1.22 0.36 -0.12 8.00 1.04 -1.26 -4.66 113.70 115.84 1rwa s SER 59 Ca 0.35 -1.02 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 1rwa s SER 59 Cb 0.20 0.26 -0.25 0.00 0.10 0.00 0.00 66.02 66.33 1rwa s SER 59 CO 0.27 -0.67 0.38 0.52 0.98 0.00 0.00 173.24 174.71 1rwa n VAL 60 N 0.01 1.72 -4.57 5.02 0.31 -1.26 -4.72 118.33 114.84 1rwa n VAL 60 Ca -0.11 -0.68 -0.30 0.00 -0.01 0.00 0.00 64.34 63.24 1rwa n VAL 60 Cb 0.62 -1.56 -0.13 0.00 -0.91 0.00 0.00 33.84 31.86 1rwa n VAL 60 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1rwa s PHE 61 N -2.56 2.36 -0.35 3.52 0.40 -1.26 -0.80 117.98 119.28 1rwa s PHE 61 Ca -0.20 -0.37 0.27 0.00 -0.60 0.00 0.00 56.93 56.04 1rwa s PHE 61 Cb 0.07 -1.33 0.86 0.00 0.51 0.00 0.00 43.02 43.14 1rwa s PHE 61 CO 0.77 0.27 1.77 1.79 0.70 0.00 0.00 175.22 180.52 1rwa h THR 62 N 3.96 0.00 -0.23 0.64 1.35 -1.48 -2.80 112.91 114.34 1rwa h THR 62 Ca -0.49 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1rwa h THR 62 Cb 1.16 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1rwa h THR 62 CO 0.42 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.79 1rwa n ASP 63 N -2.76 2.82 -3.95 5.36 5.75 -1.26 -4.90 116.55 117.61 1rwa n ASP 63 Ca 0.03 -1.83 -0.29 0.00 -0.01 0.00 0.00 54.79 52.70 1rwa n ASP 63 Cb 0.39 -0.15 -0.16 0.00 -1.03 0.00 0.00 41.12 40.17 1rwa n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rwa s LEU 64 N -1.23 1.67 -0.23 -2.12 1.43 -1.06 -5.11 118.68 112.03 1rwa s LEU 64 Ca 0.26 -0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 1rwa s LEU 64 Cb 0.16 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1rwa s LEU 64 CO 0.22 -0.12 0.68 -0.55 0.23 0.00 0.00 176.35 176.81 1rwa s SER 65 N 1.56 6.68 0.66 2.29 0.15 -1.26 -4.49 113.70 119.28 1rwa s SER 65 Ca 0.03 0.84 0.42 0.00 0.70 0.00 0.00 55.95 57.93 1rwa s SER 65 Cb -0.14 -2.37 2.31 0.00 -1.71 0.00 0.00 66.02 64.11 1rwa s SER 65 CO -0.09 -0.37 2.34 -0.07 1.20 0.00 0.00 173.24 176.25 1rwa h LEU 66 N 8.74 0.00 -0.01 3.45 3.38 -1.87 -1.61 115.31 127.39 1rwa h LEU 66 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1rwa h LEU 66 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1rwa h LEU 66 CO 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 179.32 1rwa n ALA 67 N -2.11 2.53 -3.15 1.53 0.00 -1.26 -4.54 120.51 113.52 1rwa n ALA 67 Ca -0.03 -0.16 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1rwa n ALA 67 Cb 0.09 -1.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 1rwa n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rwa s LYS 68 N -2.46 3.30 0.37 0.00 1.02 -0.61 -5.01 119.74 116.35 1rwa s LYS 68 Ca 0.32 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.64 1rwa s LYS 68 Cb 0.21 -3.34 0.72 0.00 -0.52 0.00 0.00 37.83 34.90 1rwa s LYS 68 CO 0.45 -0.35 2.01 0.38 -0.92 0.00 0.00 175.35 176.92 1rwa h ASP 69 N 8.23 0.58 -0.77 2.83 3.04 -1.83 0.10 116.42 128.60 1rwa h ASP 69 Ca -0.34 -0.03 -0.04 0.00 -3.24 0.00 0.00 57.03 53.37 1rwa h ASP 69 Cb 1.14 -0.15 -0.03 0.00 -1.04 0.00 0.00 39.33 39.25 1rwa h ASP 69 CO 0.60 0.46 0.32 0.00 -2.04 0.00 0.00 179.24 178.57 1rwa h ALA 70 N 1.64 1.09 0.00 4.15 0.00 -1.95 -1.82 119.26 122.38 1rwa h ALA 70 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1rwa h ALA 70 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1rwa h ALA 70 CO -0.03 0.65 -0.41 0.93 0.00 0.00 0.00 179.25 180.39 1rwa h GLU 71 N 1.13 0.00 -0.68 0.00 5.08 -1.50 -1.67 114.58 116.95 1rwa h GLU 71 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1rwa h GLU 71 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1rwa h GLU 71 CO -0.02 0.41 0.27 1.98 -1.00 0.00 0.00 179.01 180.65 1rwa h MET 72 N 0.00 1.01 0.02 2.33 4.05 -0.45 -0.11 114.93 121.78 1rwa h MET 72 Ca -0.00 -0.18 0.01 0.00 -0.28 0.00 0.00 59.70 59.24 1rwa h MET 72 Cb 1.15 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 1rwa h MET 72 CO 0.05 0.84 -0.07 0.28 0.23 0.00 0.00 176.91 178.25 1rwa h VAL 73 N 0.96 0.83 -0.30 -5.77 2.07 -0.97 -2.44 116.25 110.63 1rwa h VAL 73 Ca 0.22 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 1rwa h VAL 73 Cb 0.21 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rwa h VAL 73 CO -0.02 0.00 -0.00 0.74 0.02 0.00 0.00 177.57 178.31 1rwa h THR 74 N -0.13 1.18 -0.30 2.57 2.02 -1.16 -0.13 112.91 116.96 1rwa h THR 74 Ca 0.02 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.54 1rwa h THR 74 Cb 0.15 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1rwa h THR 74 CO -0.06 0.24 0.02 0.74 0.37 0.00 0.00 175.52 176.84 1rwa h THR 75 N 0.44 0.82 -0.27 3.16 2.02 -0.68 -0.28 112.91 118.11 1rwa h THR 75 Ca 0.10 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 1rwa h THR 75 Cb 0.29 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1rwa h THR 75 CO 0.01 0.02 -0.34 1.88 0.37 0.00 0.00 175.52 177.46 1rwa h TYR 76 N 0.12 0.68 -0.07 3.16 -1.99 -0.68 -2.28 116.97 115.91 1rwa h TYR 76 Ca 0.14 -0.18 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 1rwa h TYR 76 Cb 0.17 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1rwa h TYR 76 CO -0.20 0.85 -0.45 1.79 -0.00 0.00 0.00 178.16 180.16 1rwa h THR 77 N 0.50 1.33 -0.58 -2.88 1.35 -0.91 -0.51 112.91 111.20 1rwa h THR 77 Ca 0.05 -1.59 -0.06 0.00 -0.55 0.00 0.00 66.41 64.26 1rwa h THR 77 Cb 0.83 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 1rwa h THR 77 CO 0.07 0.47 0.15 0.03 -0.25 0.00 0.00 175.52 175.98 1rwa h ARG 78 N 0.14 0.93 -0.67 4.72 3.08 -0.94 -0.13 114.38 121.51 1rwa h ARG 78 Ca 0.01 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 1rwa h ARG 78 Cb 0.85 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1rwa h ARG 78 CO 0.07 0.86 0.10 -0.07 -1.07 0.00 0.00 179.97 179.85 1rwa h LEU 79 N 0.84 1.07 -0.74 3.04 3.38 -0.99 -0.84 115.31 121.07 1rwa h LEU 79 Ca 0.18 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1rwa h LEU 79 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1rwa h LEU 79 CO 0.00 1.07 -0.32 0.77 0.09 0.00 0.00 178.44 180.05 1rwa h SER 80 N 1.03 0.62 -0.42 -0.43 4.64 -0.89 -1.01 113.55 117.09 1rwa h SER 80 Ca 0.20 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1rwa h SER 80 Cb 0.46 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1rwa h SER 80 CO 0.02 0.90 0.26 -0.61 -0.87 0.00 0.00 176.83 176.52 1rwa h GLN 81 N 0.51 0.51 -0.57 4.77 -0.00 -0.88 0.96 115.11 120.41 1rwa h GLN 81 Ca 0.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1rwa h GLN 81 Cb 0.80 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.14 1rwa h GLN 81 CO 0.07 0.34 0.24 -0.07 0.00 0.00 0.00 178.83 179.40 1rwa h LEU 82 N 0.53 0.78 -1.05 -2.39 3.38 -0.99 0.11 115.31 115.68 1rwa h LEU 82 Ca 0.17 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1rwa h LEU 82 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1rwa h LEU 82 CO -0.07 0.73 0.05 0.00 0.09 0.00 0.00 178.44 179.25 1rwa h ALA 83 N 1.08 1.22 -0.14 1.53 0.00 -0.91 -0.24 119.26 121.81 1rwa h ALA 83 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rwa h ALA 83 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rwa h ALA 83 CO -0.02 0.52 0.08 1.15 0.00 0.00 0.00 179.25 180.98 1rwa h THR 84 N 0.70 1.01 -0.36 0.00 2.02 -0.09 -2.19 112.91 114.00 1rwa h THR 84 Ca 0.15 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1rwa h THR 84 Cb 0.35 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1rwa h THR 84 CO 0.01 0.03 0.19 0.00 0.37 0.00 0.00 175.52 176.12 1rwa h ALA 85 N 1.06 0.46 -0.18 6.16 0.00 -0.74 -1.62 119.26 124.40 1rwa h ALA 85 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1rwa h ALA 85 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rwa h ALA 85 CO -0.03 0.00 0.16 2.35 0.00 0.00 0.00 179.25 181.73 1rwa h TRP 86 N 0.45 0.00 -0.23 0.00 7.01 -0.95 -1.79 115.95 120.43 1rwa h TRP 86 Ca 0.13 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.13 1rwa h TRP 86 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1rwa h TRP 86 CO -0.02 0.00 0.00 0.00 -2.79 0.00 0.00 178.44 175.63 1rwa n ALA 87 N -2.45 2.45 -2.49 2.65 0.00 -0.68 -1.12 120.51 118.87 1rwa n ALA 87 Ca 0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1rwa n ALA 87 Cb 0.29 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 1rwa n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rwa s THR 88 N -1.72 5.22 0.33 0.00 2.01 -0.67 -4.90 115.64 115.91 1rwa s THR 88 Ca 0.35 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 61.63 1rwa s THR 88 Cb 0.21 -3.90 -0.13 0.00 0.01 0.00 0.00 72.50 68.69 1rwa s THR 88 CO 0.31 -0.26 1.10 -2.65 -0.69 0.00 0.00 174.62 172.43 1rwa n PRO 89 N 5.26 1.61 0.00 4.92 -0.02 -1.26 -1.59 135.00 143.91 1rwa n PRO 89 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1rwa n PRO 89 Cb 0.48 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1rwa n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rwa n THR 90 N 0.13 0.00 -1.58 3.45 -2.24 -1.26 -5.03 114.28 107.75 1rwa n THR 90 Ca 0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 1rwa n THR 90 Cb 0.35 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.65 1rwa n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rwa s ALA 91 N -2.79 2.29 0.31 6.98 0.00 -0.62 -4.92 121.76 123.01 1rwa s ALA 91 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1rwa s ALA 91 Cb 0.00 -3.38 0.49 0.00 0.00 0.00 0.00 23.12 20.23 1rwa s ALA 91 CO 0.00 -1.57 1.95 0.00 0.00 0.00 0.00 175.76 176.13 1rwa h ALA 92 N -0.19 1.40 -0.73 0.00 0.00 -1.89 -2.49 119.26 115.36 1rwa h ALA 92 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rwa h ALA 92 Cb 1.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rwa h ALA 92 CO 0.52 0.51 0.00 1.33 0.00 0.00 0.00 179.25 181.61 1rwa n VAL 93 N -4.39 1.21 -1.67 0.00 0.24 -1.26 -4.92 118.33 107.54 1rwa n VAL 93 Ca 0.07 -1.04 -0.52 0.00 -2.04 0.00 0.00 64.34 60.81 1rwa n VAL 93 Cb 0.08 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 32.80 1rwa n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1rwa n PHE 94 N 1.56 2.05 -1.30 6.34 7.35 -0.94 -1.26 117.46 131.25 1rwa n PHE 94 Ca 0.25 0.36 -0.12 0.00 -0.76 0.00 0.00 57.45 57.18 1rwa n PHE 94 Cb 0.70 -2.50 -0.05 0.00 0.35 0.00 0.00 39.48 37.97 1rwa n PHE 94 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rwa n GLY 95 N 3.73 1.13 3.66 7.13 0.00 -0.28 -4.94 105.19 115.62 1rwa n GLY 95 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1rwa n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwa s ASP 96 N -2.30 6.95 0.14 1.61 -1.08 -0.39 -4.94 116.67 116.67 1rwa s ASP 96 Ca 0.00 1.69 -0.15 0.00 -0.52 0.00 0.00 52.55 53.57 1rwa s ASP 96 Cb 0.00 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 1rwa s ASP 96 CO 0.00 -0.75 1.71 0.00 0.52 0.00 0.00 175.17 176.65 1rwa h ALA 97 N 8.16 0.58 -0.93 3.66 0.00 -1.92 -0.77 119.26 128.04 1rwa h ALA 97 Ca -0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rwa h ALA 97 Cb 1.10 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1rwa h ALA 97 CO 0.97 0.16 0.57 0.00 0.00 0.00 0.00 179.25 180.95 1rwa h ALA 98 N 1.04 1.19 -0.07 0.00 0.00 -1.99 -1.47 119.26 117.97 1rwa h ALA 98 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rwa h ALA 98 Cb 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1rwa h ALA 98 CO -0.02 0.63 0.01 0.28 0.00 0.00 0.00 179.25 180.16 1rwa h VAL 99 N 1.28 1.21 -0.79 0.00 2.07 -1.83 -1.50 116.25 116.69 1rwa h VAL 99 Ca 0.34 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 67.39 1rwa h VAL 99 Cb -0.07 1.51 -0.11 0.00 -1.52 0.00 0.00 31.29 31.10 1rwa h VAL 99 CO -0.06 0.18 0.25 0.25 0.02 0.00 0.00 177.57 178.20 1rwa h LEU 100 N -0.13 0.13 -0.82 2.57 5.85 -0.96 -0.12 115.31 121.83 1rwa h LEU 100 Ca 0.02 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1rwa h LEU 100 Cb 0.27 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1rwa h LEU 100 CO 0.00 -0.01 -0.07 0.00 -0.34 0.00 0.00 178.44 178.01 1rwa h ALA 101 N 1.64 1.01 -0.37 1.25 0.00 -0.97 -1.04 119.26 120.77 1rwa h ALA 101 Ca 0.46 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1rwa h ALA 101 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rwa h ALA 101 CO -0.51 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.04 1rwa h ALA 102 N 1.18 0.76 -0.26 0.00 0.00 -0.40 -1.23 119.26 119.31 1rwa h ALA 102 Ca 0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1rwa h ALA 102 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1rwa h ALA 102 CO 0.03 0.65 0.07 0.82 0.00 0.00 0.00 179.25 180.83 1rwa h ILE 103 N 0.68 1.21 -0.72 0.00 2.04 -0.44 -1.43 117.51 118.85 1rwa h ILE 103 Ca 0.08 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 1rwa h ILE 103 Cb 0.85 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1rwa h ILE 103 CO 0.07 0.22 0.20 0.11 0.00 0.00 0.00 178.15 178.75 1rwa h LYS 104 N 0.26 1.14 -0.39 2.37 1.57 -1.04 -0.72 116.57 119.76 1rwa h LYS 104 Ca 0.08 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1rwa h LYS 104 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1rwa h LYS 104 CO -0.00 0.99 -0.12 0.00 -0.57 0.00 0.00 179.45 179.75 1rwa h ALA 105 N 1.12 1.06 -0.53 3.86 0.00 -1.15 -0.95 119.26 122.67 1rwa h ALA 105 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1rwa h ALA 105 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rwa h ALA 105 CO -0.00 0.57 0.22 0.78 0.00 0.00 0.00 179.25 180.82 1rwa h GLY 106 N 0.97 0.84 1.24 0.00 0.00 -0.49 -0.43 103.07 105.21 1rwa h GLY 106 Ca 0.11 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1rwa h GLY 106 CO 0.04 0.43 -0.38 1.41 0.00 0.00 0.00 176.54 178.04 1rwa h LEU 107 N 0.71 0.89 -0.04 3.11 3.38 -0.85 -0.82 115.31 121.70 1rwa h LEU 107 Ca 0.18 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1rwa h LEU 107 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rwa h LEU 107 CO -0.02 1.16 -0.02 0.00 0.09 0.00 0.00 178.44 179.66 1rwa h ALA 108 N 0.88 0.06 -0.45 1.53 0.00 -1.05 -1.99 119.26 118.25 1rwa h ALA 108 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1rwa h ALA 108 Cb 0.94 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1rwa h ALA 108 CO 0.09 -0.20 -0.14 -0.44 0.00 0.00 0.00 179.25 178.56 1rwa h ASP 109 N -0.32 0.90 -0.72 0.00 3.32 -1.07 -1.05 116.42 117.47 1rwa h ASP 109 Ca 0.01 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.69 1rwa h ASP 109 Cb 0.47 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1rwa h ASP 109 CO 0.01 1.07 0.48 0.00 -1.72 0.00 0.00 179.24 179.07 1rwa h ALA 110 N 0.86 0.92 0.31 3.45 0.00 -1.13 0.50 119.26 124.16 1rwa h ALA 110 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rwa h ALA 110 Cb 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rwa h ALA 110 CO 0.05 0.33 -0.28 -0.97 0.00 0.00 0.00 179.25 178.38 1rwa h ASN 111 N 0.97 -0.74 -0.36 0.00 -0.00 -1.21 0.28 115.58 114.53 1rwa h ASN 111 Ca 0.27 0.06 0.01 0.00 -0.00 0.00 0.00 56.30 56.64 1rwa h ASN 111 Cb -0.10 0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.44 1rwa h ASN 111 CO -0.06 -0.41 0.22 0.74 -0.00 0.00 0.00 177.43 177.92 1rwa h THR 112 N -0.60 1.06 -0.00 -3.57 2.02 -0.98 -3.14 112.91 107.69 1rwa h THR 112 Ca -0.02 -0.15 -0.18 0.00 0.77 0.00 0.00 66.41 66.83 1rwa h THR 112 Cb 0.54 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1rwa h THR 112 CO -0.04 0.08 -0.82 -0.07 0.37 0.00 0.00 175.52 175.04 1rwa h LEU 113 N 0.45 0.15 0.00 2.58 3.38 -0.96 -3.46 115.31 117.45 1rwa h LEU 113 Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rwa h LEU 113 Cb -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1rwa h LEU 113 CO -0.05 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.38 1rwa s TYR 115 N -1.97 4.22 0.26 0.00 5.04 -0.01 -4.79 117.35 120.11 1rwa s TYR 115 Ca 0.00 -2.67 0.03 0.00 -2.44 0.00 0.00 57.07 51.99 1rwa s TYR 115 Cb 0.00 -3.80 -0.04 0.00 0.35 0.00 0.00 41.96 38.47 1rwa s TYR 115 CO 0.00 -0.94 0.19 0.54 -1.34 0.00 0.00 175.55 174.00 1rwa s ASN 116 N 1.28 0.93 0.00 4.32 2.20 -1.24 -4.28 114.94 118.16 1rwa s ASN 116 Ca 0.30 -1.55 0.23 0.00 -0.94 0.00 0.00 52.86 50.90 1rwa s ASN 116 Cb -0.10 0.44 1.35 0.00 -2.00 0.00 0.00 41.25 40.94 1rwa s ASN 116 CO -0.08 -0.93 1.77 -0.90 -2.94 0.00 0.00 177.10 174.02 1rwa n ASP 117 N -0.84 0.00 -0.78 3.54 5.75 -1.26 -2.13 116.55 120.82 1rwa n ASP 117 Ca 0.04 -0.57 0.09 0.00 -0.01 0.00 0.00 54.79 54.33 1rwa n ASP 117 Cb 0.64 -0.07 0.12 0.00 -1.03 0.00 0.00 41.12 40.79 1rwa n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1rwa n ARG 118 N -1.07 1.83 -3.82 0.11 1.74 -1.26 -4.98 116.66 109.21 1rwa n ARG 118 Ca 0.16 -1.78 -0.36 0.00 -0.77 0.00 0.00 57.85 55.10 1rwa n ARG 118 Cb 0.10 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 1rwa n ARG 118 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rwa s LYS 119 N -1.30 3.76 0.14 5.56 2.47 -0.91 -5.10 119.74 124.37 1rwa s LYS 119 Ca 0.25 -0.18 -0.06 0.00 -1.56 0.00 0.00 55.97 54.42 1rwa s LYS 119 Cb 0.16 -3.28 -0.06 0.00 -1.46 0.00 0.00 37.83 33.18 1rwa s LYS 119 CO 0.22 0.57 0.40 -1.83 0.16 0.00 0.00 175.35 174.87 1rwa s GLU 120 N -0.41 3.67 0.43 4.03 -1.05 -1.26 -4.89 118.70 119.22 1rwa s GLU 120 Ca 0.12 0.02 -0.26 0.00 -0.15 0.00 0.00 54.97 54.70 1rwa s GLU 120 Cb -0.12 -2.85 -0.09 0.00 -0.44 0.00 0.00 34.13 30.63 1rwa s GLU 120 CO 0.01 0.47 1.39 -1.21 0.95 0.00 0.00 175.26 176.87 1rwa s GLU 121 N -2.51 3.83 -0.07 -4.83 2.02 -1.26 -5.01 118.70 110.87 1rwa s GLU 121 Ca 0.40 2.34 0.01 0.00 0.02 0.00 0.00 54.97 57.75 1rwa s GLU 121 Cb -0.12 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.40 1rwa s GLU 121 CO 0.23 -0.67 -0.10 0.08 0.02 0.00 0.00 175.26 174.82 1rwa s VAL 122 N -1.21 1.02 0.00 2.63 1.01 -1.26 -5.08 120.40 117.51 1rwa s VAL 122 Ca 0.59 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1rwa s VAL 122 Cb -0.42 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1rwa s VAL 122 CO 0.54 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.59 1rwa n GLY 123 N 4.12 -0.60 3.62 4.51 0.00 -1.26 -4.77 105.19 110.80 1rwa n GLY 123 Ca -0.21 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1rwa n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rwa s ASN 124 N -4.00 5.90 0.43 1.61 3.84 -1.26 -4.87 114.94 116.58 1rwa s ASN 124 Ca 0.00 2.05 0.21 0.00 0.21 0.00 0.00 52.86 55.33 1rwa s ASN 124 Cb 0.00 -2.52 1.17 0.00 -0.55 0.00 0.00 41.25 39.35 1rwa s ASN 124 CO 0.00 -1.58 1.81 4.11 -2.79 0.00 0.00 177.10 178.64 1rwa h TRP 125 N 13.03 0.51 -0.68 0.43 5.08 -2.00 -1.85 115.95 130.48 1rwa h TRP 125 Ca -0.42 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.56 1rwa h TRP 125 Cb 1.22 -0.15 -0.03 0.00 -3.00 0.00 0.00 29.16 27.20 1rwa h TRP 125 CO 0.94 0.08 0.38 2.35 -1.28 0.00 0.00 178.44 180.90 1rwa h TRP 126 N 0.33 0.91 -0.78 0.12 7.01 -1.98 -0.99 115.95 120.58 1rwa h TRP 126 Ca 0.54 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.53 1rwa h TRP 126 Cb 1.50 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 28.23 1rwa h TRP 126 CO -0.00 0.63 0.46 0.77 -2.79 0.00 0.00 178.44 177.51 1rwa h SER 127 N 0.94 0.94 0.53 2.65 0.02 -1.68 0.54 113.55 117.49 1rwa h SER 127 Ca 0.24 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 1rwa h SER 127 Cb 0.01 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1rwa h SER 127 CO -0.04 0.73 -0.81 -0.50 -1.14 0.00 0.00 176.83 175.07 1rwa h TRP 128 N 1.06 0.29 0.00 3.45 4.06 -1.39 -0.93 115.95 122.49 1rwa h TRP 128 Ca 0.28 -0.15 -0.15 0.00 2.06 0.00 0.00 58.89 60.93 1rwa h TRP 128 Cb -0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1rwa h TRP 128 CO -0.01 0.92 -1.93 0.39 -3.56 0.00 0.00 178.44 174.26 1rwa n GLU 129 N -3.71 0.99 0.02 0.49 1.02 -0.46 -4.43 120.64 114.55 1rwa n GLU 129 Ca -0.03 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1rwa n GLU 129 Cb 0.76 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1rwa n GLU 129 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1rwa n ILE 130 N -2.34 0.40 0.26 -3.67 5.41 -0.04 -4.57 119.36 114.81 1rwa n ILE 130 Ca -0.15 0.13 -0.16 0.00 1.00 0.00 0.00 62.75 63.58 1rwa n ILE 130 Cb 0.74 -1.46 -0.08 0.00 -0.71 0.00 0.00 39.64 38.12 1rwa n ILE 130 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1rwa h GLY 131 N 0.00 -0.62 0.40 7.39 0.00 -0.96 -2.81 103.07 106.47 1rwa h GLY 131 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1rwa h GLY 131 CO 0.00 -0.23 -0.01 -2.08 0.00 0.00 0.00 176.54 174.23 1rwa h VAL 132 N -0.61 1.43 -0.74 4.60 2.07 -1.41 -3.29 116.25 118.30 1rwa h VAL 132 Ca -0.06 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1rwa h VAL 132 Cb 0.47 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1rwa h VAL 132 CO 0.10 0.35 0.49 -0.65 0.02 0.00 0.00 177.57 177.88 1rwa h PRO 133 N -0.62 0.88 -0.60 1.57 0.11 -1.77 0.88 132.00 132.46 1rwa h PRO 133 Ca -0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1rwa h PRO 133 Cb 0.59 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1rwa h PRO 133 CO 0.00 0.59 0.21 0.00 -0.21 0.00 0.00 178.00 178.59 1rwa h ARG 134 N 0.91 0.91 0.03 1.05 3.08 -1.63 0.62 114.38 119.36 1rwa h ARG 134 Ca 0.29 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1rwa h ARG 134 Cb 0.03 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1rwa h ARG 134 CO -0.08 0.80 -0.01 0.00 -1.07 0.00 0.00 179.97 179.61 1rwa h ALA 135 N 1.07 -0.04 -0.25 0.04 0.00 -1.42 -1.87 119.26 116.79 1rwa h ALA 135 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwa h ALA 135 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rwa h ALA 135 CO -0.01 -0.32 0.14 1.25 0.00 0.00 0.00 179.25 180.31 1rwa h LEU 136 N -0.43 0.30 -0.65 0.00 5.85 -0.82 -0.77 115.31 118.79 1rwa h LEU 136 Ca -0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1rwa h LEU 136 Cb 0.40 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1rwa h LEU 136 CO 0.01 0.28 0.40 0.00 -0.34 0.00 0.00 178.44 178.79 1rwa h ALA 137 N 1.03 0.85 -0.17 1.25 0.00 -0.90 0.87 119.26 122.20 1rwa h ALA 137 Ca 0.09 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1rwa h ALA 137 Cb 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1rwa h ALA 137 CO -0.02 0.15 -0.16 -0.44 0.00 0.00 0.00 179.25 178.79 1rwa h ASP 138 N 0.79 -0.51 -0.60 0.00 3.32 -1.11 -1.02 116.42 117.28 1rwa h ASP 138 Ca 0.27 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.48 1rwa h ASP 138 Cb 0.03 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1rwa h ASP 138 CO -0.11 -0.20 0.29 0.00 -1.72 0.00 0.00 179.24 177.50 1rwa h ALA 139 N 0.90 0.79 -0.78 3.45 0.00 -0.73 0.15 119.26 123.04 1rwa h ALA 139 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1rwa h ALA 139 Cb 0.34 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1rwa h ALA 139 CO -0.28 -0.08 0.45 0.52 0.00 0.00 0.00 179.25 179.87 1rwa h MET 140 N 0.54 1.07 0.04 0.00 2.86 -0.37 -0.38 114.93 118.68 1rwa h MET 140 Ca 0.28 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.58 1rwa h MET 140 Cb 0.24 -0.22 0.02 0.00 0.06 0.00 0.00 31.60 31.70 1rwa h MET 140 CO -0.22 0.76 -0.94 0.28 1.06 0.00 0.00 176.91 177.86 1rwa h VAL 141 N 1.08 1.35 -0.65 -2.22 2.07 -0.63 -2.06 116.25 115.19 1rwa h VAL 141 Ca 0.28 -2.27 0.01 0.00 0.82 0.00 0.00 66.70 65.54 1rwa h VAL 141 Cb -0.01 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1rwa h VAL 141 CO -0.05 0.68 0.43 -0.07 0.02 0.00 0.00 177.57 178.58 1rwa h LEU 142 N 0.14 0.73 -3.00 2.57 3.38 -0.47 -2.82 115.31 115.84 1rwa h LEU 142 Ca -0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1rwa h LEU 142 Cb 1.63 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1rwa h LEU 142 CO 0.18 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.42 1rwa n LEU 143 N -4.65 4.70 -0.13 1.67 4.77 -0.17 -4.71 117.00 118.47 1rwa n LEU 143 Ca 0.05 -2.38 -0.05 0.00 -0.03 0.00 0.00 56.01 53.60 1rwa n LEU 143 Cb 0.03 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1rwa n LEU 143 CO 0.35 0.61 0.96 -0.74 -1.33 0.00 0.00 177.39 177.24 1rwa h HIS 144 N 3.38 0.30 0.00 -1.77 2.76 -1.10 -0.44 115.15 118.28 1rwa h HIS 144 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1rwa h HIS 144 Cb 1.60 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.48 1rwa h HIS 144 CO 0.84 0.12 0.00 0.00 -1.30 0.00 0.00 177.93 177.59 1rwa n ALA 145 N -2.36 1.33 -0.03 5.26 0.00 -1.26 -3.47 120.51 119.98 1rwa n ALA 145 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1rwa n ALA 145 Cb 0.15 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 1rwa n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rwa n GLU 146 N -2.29 1.14 -2.74 0.00 -0.58 -0.28 -5.01 120.64 110.88 1rwa n GLU 146 Ca 0.00 -0.06 -0.36 0.00 -0.42 0.00 0.00 57.16 56.32 1rwa n GLU 146 Cb 0.13 -1.28 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 1rwa n GLU 146 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rwa s LEU 147 N -4.22 4.22 0.69 -4.62 1.43 -0.55 -5.05 118.68 110.59 1rwa s LEU 147 Ca -0.05 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 1rwa s LEU 147 Cb 0.06 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1rwa s LEU 147 CO 0.46 -0.21 1.07 -0.94 0.23 0.00 0.00 176.35 176.97 1rwa s SER 148 N -1.72 5.52 0.22 2.29 1.04 -1.26 -4.91 113.70 114.88 1rwa s SER 148 Ca 0.54 1.37 -0.08 0.00 0.48 0.00 0.00 55.95 58.27 1rwa s SER 148 Cb -0.17 -2.26 0.35 0.00 0.10 0.00 0.00 66.02 64.03 1rwa s SER 148 CO 0.22 -1.32 1.71 0.00 0.98 0.00 0.00 173.24 174.84 1rwa h ALA 149 N -0.63 0.83 -0.47 5.32 0.00 -1.98 -1.06 119.26 121.27 1rwa h ALA 149 Ca -0.45 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1rwa h ALA 149 Cb 1.22 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1rwa h ALA 149 CO 0.61 -0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.83 1rwa h ALA 150 N 1.50 0.60 -0.32 0.00 0.00 -1.99 -0.67 119.26 118.38 1rwa h ALA 150 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1rwa h ALA 150 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1rwa h ALA 150 CO -0.40 0.13 0.15 0.93 0.00 0.00 0.00 179.25 180.06 1rwa h GLU 151 N 0.61 0.47 -0.53 0.00 5.08 -1.83 -1.12 114.58 117.26 1rwa h GLU 151 Ca 0.16 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1rwa h GLU 151 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1rwa h GLU 151 CO -0.02 0.45 0.10 0.00 -1.00 0.00 0.00 179.01 178.54 1rwa h ARG 152 N 0.38 0.87 -0.50 2.33 3.08 -0.97 -0.72 114.38 118.85 1rwa h ARG 152 Ca 0.11 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1rwa h ARG 152 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1rwa h ARG 152 CO -0.01 0.84 0.30 1.15 -1.07 0.00 0.00 179.97 181.18 1rwa h THR 153 N 0.76 1.06 -0.57 2.04 2.02 -0.96 -0.10 112.91 117.17 1rwa h THR 153 Ca 0.16 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1rwa h THR 153 Cb 0.38 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1rwa h THR 153 CO 0.01 0.11 0.23 0.00 0.37 0.00 0.00 175.52 176.24 1rwa h ALA 154 N 1.22 0.73 -0.05 6.16 0.00 -0.77 0.37 119.26 126.93 1rwa h ALA 154 Ca 0.20 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1rwa h ALA 154 Cb 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rwa h ALA 154 CO -0.09 0.34 -0.70 1.88 0.00 0.00 0.00 179.25 180.69 1rwa h TYR 155 N 0.78 0.80 -0.92 0.00 0.05 -0.85 -1.43 116.97 115.40 1rwa h TYR 155 Ca 0.19 -0.40 0.04 0.00 0.05 0.00 0.00 58.73 58.60 1rwa h TYR 155 Cb 0.19 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 1rwa h TYR 155 CO 0.01 1.21 0.60 0.00 -1.05 0.00 0.00 178.16 178.93 1rwa h ALA 157 N 1.38 1.40 0.02 0.00 0.00 -0.73 0.41 119.26 121.74 1rwa h ALA 157 Ca 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rwa h ALA 157 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1rwa h ALA 157 CO -0.12 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 1rwa h ALA 158 N 1.48 -0.02 -0.77 0.00 0.00 -1.00 -0.72 119.26 118.24 1rwa h ALA 158 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1rwa h ALA 158 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1rwa h ALA 158 CO -0.04 -0.33 0.34 0.82 0.00 0.00 0.00 179.25 180.04 1rwa h ILE 159 N -0.38 1.25 0.00 0.00 2.04 -1.03 -2.17 117.51 117.21 1rwa h ILE 159 Ca -0.00 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1rwa h ILE 159 Cb 0.37 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1rwa h ILE 159 CO 0.00 0.31 -0.40 0.44 0.00 0.00 0.00 178.15 178.50 1rwa h ASP 160 N 1.10 0.00 -0.11 1.72 3.32 -0.79 0.15 116.42 121.81 1rwa h ASP 160 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1rwa h ASP 160 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rwa h ASP 160 CO -0.03 0.40 -0.04 -0.74 -1.72 0.00 0.00 179.24 177.11 1rwa h HIS 161 N 0.00 0.25 0.00 4.55 -0.00 -0.54 -2.20 115.15 117.21 1rwa h HIS 161 Ca -0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 60.37 60.17 1rwa h HIS 161 Cb 0.96 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 1rwa h HIS 161 CO 0.00 0.55 -0.72 0.74 -0.00 0.00 0.00 177.93 178.50 1rwa h PHE 162 N -0.11 0.00 -2.09 5.26 -1.00 -1.07 -3.39 116.94 114.53 1rwa h PHE 162 Ca 0.03 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.23 1rwa h PHE 162 Cb 0.47 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 39.63 1rwa h PHE 162 CO 0.06 0.65 -0.92 0.28 -1.61 0.00 0.00 178.31 176.77 1rwa n VAL 163 N -3.23 0.38 0.25 -0.55 0.31 0.50 -4.83 118.33 111.15 1rwa n VAL 163 Ca 0.00 -4.43 0.11 0.00 -0.01 0.00 0.00 64.34 60.02 1rwa n VAL 163 Cb 0.80 -2.00 0.62 0.00 -0.91 0.00 0.00 33.84 32.35 1rwa n VAL 163 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1rwa h PRO 164 N 4.12 0.00 -2.16 5.55 0.13 -1.60 -3.41 132.00 134.62 1rwa h PRO 164 Ca 0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.04 1rwa h PRO 164 Cb 0.80 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.61 1rwa h PRO 164 CO 0.59 0.17 -0.53 0.34 -0.23 0.00 0.00 178.00 178.34 1rwa s ASP 165 N -6.21 0.66 0.00 1.44 -1.08 -1.26 -5.03 116.67 105.19 1rwa s ASP 165 Ca -0.02 0.08 0.20 0.00 -0.52 0.00 0.00 52.55 52.29 1rwa s ASP 165 Cb 0.12 0.84 1.07 0.00 -1.46 0.00 0.00 42.92 43.49 1rwa s ASP 165 CO 0.61 -0.31 1.59 -0.81 0.52 0.00 0.00 175.17 176.77 1rwa n PRO 166 N 5.35 0.43 0.03 4.34 -0.04 -1.26 -1.56 135.00 142.28 1rwa n PRO 166 Ca -0.04 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1rwa n PRO 166 Cb 0.50 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.93 1rwa n PRO 166 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rwa n TRP 167 N -1.16 0.23 -4.49 0.54 7.02 -1.26 -4.54 117.44 113.78 1rwa n TRP 167 Ca 0.12 0.08 -0.23 0.00 -1.02 0.00 0.00 57.50 56.44 1rwa n TRP 167 Cb 0.12 -0.62 -0.11 0.00 -2.42 0.00 0.00 31.31 28.28 1rwa n TRP 167 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1rwa s LEU 168 N -3.39 2.53 0.14 -0.99 1.43 -0.60 -1.13 118.68 116.66 1rwa s LEU 168 Ca 0.10 -1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 51.83 1rwa s LEU 168 Cb 0.14 -0.68 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 1rwa s LEU 168 CO 0.43 -0.41 0.28 0.00 0.23 0.00 0.00 176.35 176.88 1rwa s GLN 169 N -3.75 1.08 0.00 1.70 -2.07 -0.23 -4.60 119.66 111.79 1rwa s GLN 169 Ca 0.33 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 1rwa s GLN 169 Cb 0.06 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 1rwa s GLN 169 CO 0.15 -0.39 0.00 1.19 -1.32 0.00 0.00 175.29 174.92 1rwa n PHE 170 N -0.18 0.00 -1.87 9.60 0.99 -1.26 -1.90 117.46 122.84 1rwa n PHE 170 Ca -0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.02 1rwa n PHE 170 Cb 0.63 -0.14 0.03 0.00 -1.00 0.00 0.00 39.48 39.00 1rwa n PHE 170 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1rwa s PRO 171 N -4.00 2.99 0.43 -1.08 0.04 -1.26 -4.77 135.00 127.35 1rwa s PRO 171 Ca 0.00 1.33 0.10 0.00 0.04 0.00 0.00 61.00 62.47 1rwa s PRO 171 Cb 0.00 -1.98 0.95 0.00 0.04 0.00 0.00 34.50 33.51 1rwa s PRO 171 CO 0.00 -1.09 2.05 -1.35 0.04 0.00 0.00 177.00 176.65 1rwa h PRO 172 N 0.20 0.44 0.00 0.56 0.10 -1.96 -1.27 132.00 130.06 1rwa h PRO 172 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1rwa h PRO 172 Cb 1.24 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1rwa h PRO 172 CO 0.55 0.29 0.40 1.57 0.10 0.00 0.00 178.00 180.91 1rwa h LYS 173 N 0.45 0.00 0.00 1.05 2.10 -2.01 -2.97 116.57 115.19 1rwa h LYS 173 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1rwa h LYS 173 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1rwa h LYS 173 CO -0.04 0.00 -1.27 -2.13 -2.00 0.00 0.00 179.45 174.01 1rwa n ARG 174 N -2.64 1.08 -0.72 0.07 0.63 -0.48 -5.08 116.66 109.52 1rwa n ARG 174 Ca -0.02 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1rwa n ARG 174 Cb 0.44 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.02 1rwa n ARG 174 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rwa n GLY 175 N 1.47 -3.93 3.81 5.14 0.00 -1.12 -5.04 105.19 105.51 1rwa n GLY 175 Ca -0.00 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1rwa n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwa s LYS 176 N -2.74 4.27 0.29 1.61 1.02 -1.26 -4.88 119.74 118.05 1rwa s LYS 176 Ca 0.00 0.83 0.10 0.00 0.02 0.00 0.00 55.97 56.91 1rwa s LYS 176 Cb 0.00 -3.17 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1rwa s LYS 176 CO 0.00 0.58 -0.14 0.96 -0.92 0.00 0.00 175.35 175.83 1rwa s ILE 177 N -1.21 2.17 0.17 2.17 -4.36 -0.80 -4.92 121.20 114.44 1rwa s ILE 177 Ca 0.33 -2.27 -0.32 0.00 -0.26 0.00 0.00 60.65 58.13 1rwa s ILE 177 Cb -0.20 -2.41 -0.11 0.00 1.25 0.00 0.00 42.46 41.00 1rwa s ILE 177 CO 0.21 -0.34 1.63 -0.89 0.24 0.00 0.00 174.94 175.79 1rwa s THR 178 N -2.68 2.44 0.27 8.37 2.01 -1.26 -1.07 115.64 123.72 1rwa s THR 178 Ca 0.30 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 1rwa s THR 178 Cb -0.01 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 1rwa s THR 178 CO 0.14 0.02 0.97 -0.94 -0.69 0.00 0.00 174.62 174.12 1rwa s SER 179 N 1.27 7.48 0.13 3.53 1.04 -0.28 -4.79 113.70 122.08 1rwa s SER 179 Ca 0.72 1.97 0.04 0.00 0.48 0.00 0.00 55.95 59.16 1rwa s SER 179 Cb -0.46 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.02 1rwa s SER 179 CO 0.32 0.03 -0.10 0.68 0.98 0.00 0.00 173.24 175.15 1rwa s VAL 180 N -1.31 1.05 0.00 5.02 -7.23 -1.26 -4.57 120.40 112.10 1rwa s VAL 180 Ca 0.45 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1rwa s VAL 180 Cb -0.25 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1rwa s VAL 180 CO 0.31 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1rwa n GLY 181 N 0.05 3.04 0.35 2.32 0.00 -1.26 -1.53 105.19 108.15 1rwa n GLY 181 Ca -0.12 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.77 1rwa n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa h ALA 182 N -0.76 1.43 -0.61 4.61 0.00 -1.95 -1.71 119.26 120.28 1rwa h ALA 182 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rwa h ALA 182 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rwa h ALA 182 CO 0.00 0.21 -0.02 -0.91 0.00 0.00 0.00 179.25 178.53 1rwa h ASN 183 N 0.95 1.06 -0.24 0.00 2.35 -1.66 -0.65 115.58 117.39 1rwa h ASN 183 Ca 0.47 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1rwa h ASN 183 Cb 0.44 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1rwa h ASN 183 CO -0.26 1.12 0.06 -0.09 -1.65 0.00 0.00 177.43 176.61 1rwa h ARG 184 N 0.98 0.16 -0.15 0.81 9.65 -0.83 -0.31 114.38 124.70 1rwa h ARG 184 Ca 0.17 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1rwa h ARG 184 Cb 0.58 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 1rwa h ARG 184 CO 0.03 0.11 0.08 0.28 2.80 0.00 0.00 179.97 183.27 1rwa h VAL 185 N 0.16 1.02 -0.69 0.20 2.07 -1.10 -0.35 116.25 117.56 1rwa h VAL 185 Ca 0.11 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1rwa h VAL 185 Cb 0.10 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1rwa h VAL 185 CO -0.13 0.03 0.24 0.44 0.02 0.00 0.00 177.57 178.17 1rwa h ASP 186 N 0.18 0.98 -0.21 0.57 3.32 -0.85 0.16 116.42 120.58 1rwa h ASP 186 Ca 0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1rwa h ASP 186 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1rwa h ASP 186 CO -0.03 0.91 0.09 -0.07 -1.72 0.00 0.00 179.24 178.42 1rwa h LEU 187 N 0.99 0.28 -0.85 1.55 3.38 -0.91 -2.04 115.31 117.71 1rwa h LEU 187 Ca 0.22 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rwa h LEU 187 Cb 0.26 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1rwa h LEU 187 CO -0.01 0.35 0.52 0.00 0.09 0.00 0.00 178.44 179.39 1rwa h GLN 189 N 1.16 0.16 -0.82 0.00 4.15 -0.47 0.15 115.11 119.45 1rwa h GLN 189 Ca 0.30 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.77 1rwa h GLN 189 Cb -0.05 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.54 1rwa h GLN 189 CO -0.06 0.11 0.51 0.78 -1.93 0.00 0.00 178.83 178.23 1rwa h GLY 190 N 0.16 1.22 1.37 2.39 0.00 -1.10 -0.56 103.07 106.55 1rwa h GLY 190 Ca 0.12 -0.37 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 1rwa h GLY 190 CO -0.15 0.27 -0.86 -2.22 0.00 0.00 0.00 176.54 173.58 1rwa h ILE 191 N 0.94 1.33 -0.11 2.60 1.08 -1.04 -0.96 117.51 121.34 1rwa h ILE 191 Ca 0.35 -2.18 0.01 0.00 -0.39 0.00 0.00 64.86 62.65 1rwa h ILE 191 Cb 0.13 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1rwa h ILE 191 CO -0.16 0.67 0.05 0.40 -0.69 0.00 0.00 178.15 178.42 1rwa h ILE 192 N 0.38 1.00 -0.46 -0.67 2.04 -0.13 0.21 117.51 119.88 1rwa h ILE 192 Ca -0.07 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1rwa h ILE 192 Cb 1.49 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1rwa h ILE 192 CO 0.16 0.02 -0.12 0.40 0.00 0.00 0.00 178.15 178.61 1rwa h ILE 193 N 0.12 1.27 -0.47 -0.67 1.08 -1.10 -1.96 117.51 115.78 1rwa h ILE 193 Ca 0.05 -1.25 0.02 0.00 -0.39 0.00 0.00 64.86 63.28 1rwa h ILE 193 Cb 0.01 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1rwa h ILE 193 CO -0.03 0.43 0.31 -0.09 -0.69 0.00 0.00 178.15 178.08 1rwa h ARG 194 N 0.74 0.56 0.00 2.37 1.12 -1.01 -1.80 114.38 116.36 1rwa h ARG 194 Ca 0.12 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.88 1rwa h ARG 194 Cb 0.67 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 1rwa h ARG 194 CO 0.05 0.37 -0.35 0.77 -3.11 0.00 0.00 179.97 177.70 1rwa h SER 195 N 0.57 0.00 -0.18 -3.80 0.02 0.02 -1.14 113.55 109.04 1rwa h SER 195 Ca 0.18 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 1rwa h SER 195 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1rwa h SER 195 CO -0.04 0.35 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.36 1rwa h LEU 196 N 0.00 0.81 -0.77 5.07 3.38 -0.62 0.23 115.31 123.40 1rwa h LEU 196 Ca -0.00 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 1rwa h LEU 196 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1rwa h LEU 196 CO 0.05 1.26 -0.17 0.00 0.09 0.00 0.00 178.44 179.66 1rwa h ALA 197 N 0.57 0.95 -0.03 1.53 0.00 -1.07 -3.14 119.26 118.07 1rwa h ALA 197 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rwa h ALA 197 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rwa h ALA 197 CO 0.12 0.61 -0.01 0.41 0.00 0.00 0.00 179.25 180.38 1rwa n GLY 198 N -0.35 0.82 3.70 0.00 0.00 -0.46 -4.99 105.19 103.91 1rwa n GLY 198 Ca 0.01 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1rwa n GLY 198 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rwa n GLU 199 N 1.23 -1.16 -3.77 1.61 1.02 -0.05 -4.99 120.64 114.53 1rwa n GLU 199 Ca 0.13 0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 57.36 1rwa n GLU 199 Cb 0.56 -4.04 -0.11 0.00 -0.02 0.00 0.00 31.44 27.84 1rwa n GLU 199 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rwa s ASP 200 N -3.46 5.09 0.34 1.62 -1.08 -0.48 -4.96 116.67 113.74 1rwa s ASP 200 Ca 0.47 -2.76 0.07 0.00 -0.52 0.00 0.00 52.55 49.82 1rwa s ASP 200 Cb -0.17 -1.81 0.63 0.00 -1.46 0.00 0.00 42.92 40.10 1rwa s ASP 200 CO 0.87 -0.37 1.84 1.55 0.52 0.00 0.00 175.17 179.57 1rwa h PRO 201 N 7.09 0.33 0.21 4.34 0.13 -1.94 -1.62 132.00 140.55 1rwa h PRO 201 Ca -0.04 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1rwa h PRO 201 Cb 0.96 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1rwa h PRO 201 CO 0.70 0.50 -0.10 1.15 -0.23 0.00 0.00 178.00 180.02 1rwa h THR 202 N 0.30 0.84 -0.73 1.56 2.02 -1.99 -0.23 112.91 114.69 1rwa h THR 202 Ca 0.06 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1rwa h THR 202 Cb 0.49 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1rwa h THR 202 CO 0.03 0.06 0.30 0.11 0.37 0.00 0.00 175.52 176.39 1rwa h LYS 203 N -0.41 1.08 0.02 6.66 1.57 -1.96 -2.10 116.57 121.42 1rwa h LYS 203 Ca -0.03 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1rwa h LYS 203 Cb 0.32 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1rwa h LYS 203 CO 0.05 0.88 -0.01 1.25 -0.57 0.00 0.00 179.45 181.05 1rwa h LEU 204 N 1.04 -0.02 -0.73 2.94 6.46 -1.18 -1.38 115.31 122.44 1rwa h LEU 204 Ca 0.24 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1rwa h LEU 204 Cb 0.20 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1rwa h LEU 204 CO -0.02 0.02 0.36 0.78 -0.62 0.00 0.00 178.44 178.95 1rwa h ASN 205 N -0.06 0.95 -0.34 1.25 2.35 -0.93 -0.21 115.58 118.59 1rwa h ASN 205 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1rwa h ASN 205 Cb 0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1rwa h ASN 205 CO 0.00 0.81 0.22 -0.74 -1.65 0.00 0.00 177.43 176.07 1rwa h HIS 206 N 1.02 0.43 -0.60 1.19 2.76 -1.25 -0.90 115.15 117.81 1rwa h HIS 206 Ca 0.25 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1rwa h HIS 206 Cb 0.11 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1rwa h HIS 206 CO 0.01 0.29 0.18 0.00 -1.30 0.00 0.00 177.93 177.11 1rwa h ALA 207 N 1.11 0.78 -0.62 5.26 0.00 -0.76 -1.24 119.26 123.79 1rwa h ALA 207 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rwa h ALA 207 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1rwa h ALA 207 CO -0.02 0.46 0.38 0.28 0.00 0.00 0.00 179.25 180.34 1rwa h VAL 208 N 0.85 1.18 -0.25 0.00 2.07 -0.91 -2.40 116.25 116.79 1rwa h VAL 208 Ca 0.19 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1rwa h VAL 208 Cb 0.30 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1rwa h VAL 208 CO -0.00 0.18 0.03 0.00 0.02 0.00 0.00 177.57 177.80 1rwa h ALA 209 N 1.20 1.60 -0.07 1.67 0.00 -0.83 -1.65 119.26 121.18 1rwa h ALA 209 Ca 0.22 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rwa h ALA 209 Cb -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1rwa h ALA 209 CO -0.04 0.30 0.10 0.78 0.00 0.00 0.00 179.25 180.38 1rwa h GLY 210 N 0.61 0.00 1.74 0.00 0.00 -0.70 -2.81 103.07 101.91 1rwa h GLY 210 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1rwa h GLY 210 CO 0.00 0.00 -0.18 1.41 0.00 0.00 0.00 176.54 177.77 1rwa h LEU 211 N 0.00 0.31 -1.62 3.11 3.38 -1.27 -3.26 115.31 115.95 1rwa h LEU 211 Ca 0.04 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1rwa h LEU 211 Cb 0.23 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1rwa h LEU 211 CO -0.00 0.51 0.42 0.28 0.09 0.00 0.00 178.44 179.74 1rwa h SER 212 N 0.29 0.38 0.11 -0.43 0.02 -1.65 -1.79 113.55 110.48 1rwa h SER 212 Ca 0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rwa h SER 212 Cb 0.50 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1rwa h SER 212 CO 0.03 0.23 -0.10 -0.61 -1.14 0.00 0.00 176.83 175.24 1rwa h GLN 213 N 0.42 0.00 0.00 3.45 5.75 -1.78 -2.98 115.11 119.98 1rwa h GLN 213 Ca 0.29 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1rwa h GLN 213 Cb 0.56 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 1rwa h GLN 213 CO -0.08 0.10 -0.02 -0.39 -2.65 0.00 0.00 178.83 175.79 1rwa h VAL 214 N 0.00 0.05 -0.31 2.39 -1.51 -1.55 -2.63 116.25 112.69 1rwa h VAL 214 Ca -0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1rwa h VAL 214 Cb 0.18 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1rwa h VAL 214 CO 0.01 0.02 0.00 -2.67 -1.23 0.00 0.00 177.57 173.70 1rwa n TRP 215 N -3.12 0.72 -2.82 5.19 2.14 -1.12 -4.54 117.44 113.88 1rwa n TRP 215 Ca 0.01 -0.68 -0.41 0.00 2.07 0.00 0.00 57.50 58.49 1rwa n TRP 215 Cb 0.32 -0.17 -0.04 0.00 -0.81 0.00 0.00 31.31 30.61 1rwa n TRP 215 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1rwa s GLN 216 N -1.87 4.60 0.40 -2.67 -1.52 -0.99 -4.60 119.66 113.01 1rwa s GLN 216 Ca 0.33 1.30 -0.27 0.00 -1.95 0.00 0.00 55.36 54.77 1rwa s GLN 216 Cb 0.23 -3.40 -0.09 0.00 -0.22 0.00 0.00 33.01 29.53 1rwa s GLN 216 CO 0.13 0.17 1.40 0.71 -0.25 0.00 0.00 175.29 177.44 1rwa s TYR 217 N 0.25 2.66 0.31 0.91 4.12 -1.26 -4.45 117.35 119.90 1rwa s TYR 217 Ca 0.45 1.29 0.10 0.00 0.02 0.00 0.00 57.07 58.93 1rwa s TYR 217 Cb -0.22 -3.85 -0.05 0.00 -1.52 0.00 0.00 41.96 36.32 1rwa s TYR 217 CO 0.27 -2.60 -0.06 0.14 0.02 0.00 0.00 175.55 173.32 1rwa s VAL 218 N -1.19 2.65 -0.45 0.71 -7.23 -0.16 -4.99 120.40 109.74 1rwa s VAL 218 Ca 0.56 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1rwa s VAL 218 Cb -0.43 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 33.86 1rwa s VAL 218 CO 0.56 -0.28 0.48 0.35 -0.31 0.00 0.00 175.10 175.90 1rwa n THR 219 N -0.84 0.00 -3.57 5.32 -2.24 -1.26 -4.40 114.28 107.30 1rwa n THR 219 Ca -0.05 -0.46 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 1rwa n THR 219 Cb 0.61 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 1rwa n THR 219 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rwa s SER 220 N -0.77 -0.53 0.47 3.42 0.15 -1.26 -5.14 113.70 110.04 1rwa s SER 220 Ca 0.04 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1rwa s SER 220 Cb 0.04 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1rwa s SER 220 CO 0.10 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1rwa n GLY 221 N 0.80 0.45 3.73 9.45 0.00 -1.26 -4.84 105.19 113.52 1rwa n GLY 221 Ca -0.19 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1rwa n GLY 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rwa s ASP 222 N -4.00 6.75 0.00 1.61 1.01 -1.26 -4.62 116.67 116.16 1rwa s ASP 222 Ca 0.00 2.52 0.00 0.00 0.71 0.00 0.00 52.55 55.78 1rwa s ASP 222 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1rwa s ASP 222 CO 0.00 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1rwa n GLY 223 N 2.62 0.71 3.77 0.21 0.00 -0.11 -4.89 105.19 107.49 1rwa n GLY 223 Ca 0.08 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1rwa n GLY 223 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rwa s ILE 224 N -1.28 5.18 0.23 -0.61 2.07 -1.26 -1.65 121.20 123.87 1rwa s ILE 224 Ca 0.00 0.77 0.05 0.00 -1.41 0.00 0.00 60.65 60.06 1rwa s ILE 224 Cb 0.00 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.85 1rwa s ILE 224 CO 0.00 0.44 0.34 -0.36 -1.91 0.00 0.00 174.94 173.45 1rwa s PHE 225 N -0.05 3.44 0.52 3.50 0.40 -0.23 -0.99 117.98 124.56 1rwa s PHE 225 Ca 0.22 -0.01 0.25 0.00 -0.60 0.00 0.00 56.93 56.79 1rwa s PHE 225 Cb -0.15 -1.58 1.54 0.00 0.51 0.00 0.00 43.02 43.34 1rwa s PHE 225 CO 0.09 0.45 2.16 0.00 0.70 0.00 0.00 175.22 178.62 1rwa h ARG 226 N 1.31 0.00 0.00 0.44 3.08 -1.89 -0.34 114.38 116.98 1rwa h ARG 226 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1rwa h ARG 226 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1rwa h ARG 226 CO 0.62 0.06 0.00 -0.40 -1.07 0.00 0.00 179.97 179.18 1rwa n ASP 227 N -3.96 0.00 0.00 7.04 5.68 -1.26 -4.88 116.55 119.17 1rwa n ASP 227 Ca -0.03 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 1rwa n ASP 227 Cb 0.14 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1rwa n ASP 227 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rwa n GLY 228 N 0.80 0.66 3.71 6.12 0.00 -0.14 -4.81 105.19 111.53 1rwa n GLY 228 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1rwa n GLY 228 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rwa n SER 229 N 0.00 1.57 -3.75 1.61 7.64 -1.26 -4.36 113.62 115.07 1rwa n SER 229 Ca 0.00 0.71 -0.23 0.00 1.01 0.00 0.00 58.87 60.36 1rwa n SER 229 Cb 0.00 -1.53 -0.18 0.00 -1.01 0.00 0.00 64.21 61.49 1rwa n SER 229 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1rwa s PHE 230 N -1.75 0.58 -0.06 1.43 5.36 -1.26 -1.07 117.98 121.22 1rwa s PHE 230 Ca 0.78 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 1rwa s PHE 230 Cb -0.34 -0.76 -0.03 0.00 -0.34 0.00 0.00 43.02 41.56 1rwa s PHE 230 CO 0.45 -0.32 -0.13 0.42 -1.46 0.00 0.00 175.22 174.18 1rwa s ILE 231 N 2.00 3.16 0.22 3.12 1.01 -0.66 -0.61 121.20 129.43 1rwa s ILE 231 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1rwa s ILE 231 Cb -0.12 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1rwa s ILE 231 CO -0.05 0.59 0.09 -1.10 0.00 0.00 0.00 174.94 174.47 1rwa s GLN 232 N -0.69 1.26 -1.42 2.79 -1.52 -0.80 -0.93 119.66 118.35 1rwa s GLN 232 Ca 0.11 -1.66 -0.09 0.00 -1.95 0.00 0.00 55.36 51.77 1rwa s GLN 232 Cb -0.11 -0.03 0.05 0.00 -0.22 0.00 0.00 33.01 32.70 1rwa s GLN 232 CO 0.01 -0.31 0.64 1.58 -0.25 0.00 0.00 175.29 176.96 1rwa n HIS 233 N -0.34 -1.98 0.00 0.91 -0.00 -1.26 -2.10 115.22 110.44 1rwa n HIS 233 Ca -0.00 0.59 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1rwa n HIS 233 Cb 0.66 -3.72 0.00 0.00 -0.12 0.00 0.00 29.99 26.81 1rwa n HIS 233 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1rwa n SER 234 N -2.49 0.00 -0.27 0.26 7.64 -1.26 -4.14 113.62 113.35 1rwa n SER 234 Ca -0.04 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.85 1rwa n SER 234 Cb 0.56 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1rwa n SER 234 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rwa n THR 235 N 0.00 0.20 -5.13 0.44 -2.24 -1.23 -4.36 114.28 101.96 1rwa n THR 235 Ca 0.00 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 1rwa n THR 235 Cb 0.00 0.61 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 1rwa n THR 235 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rwa s THR 236 N -0.27 2.28 0.11 4.28 2.01 -0.89 -0.86 115.64 122.29 1rwa s THR 236 Ca 0.02 -0.95 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 1rwa s THR 236 Cb 0.02 -1.88 -0.09 0.00 0.01 0.00 0.00 72.50 70.55 1rwa s THR 236 CO 0.00 0.55 1.70 -2.84 -0.69 0.00 0.00 174.62 173.35 1rwa s PRO 237 N 0.26 4.18 0.00 4.92 0.02 -1.26 -1.90 135.00 141.21 1rwa s PRO 237 Ca -0.15 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1rwa s PRO 237 Cb -0.17 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1rwa s PRO 237 CO 0.08 -0.75 0.74 0.66 -0.33 0.00 0.00 177.00 177.39 1rwa n TYR 238 N 5.31 0.00 -0.34 6.54 0.53 0.22 -4.09 117.16 125.32 1rwa n TYR 238 Ca 0.16 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.18 1rwa n TYR 238 Cb 0.39 0.00 0.35 0.00 -1.03 0.00 0.00 39.34 39.05 1rwa n TYR 238 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 1rwa h THR 239 N 5.27 0.71 0.00 -0.72 2.02 -1.53 -0.79 112.91 117.88 1rwa h THR 239 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1rwa h THR 239 Cb 1.21 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1rwa h THR 239 CO 0.00 0.13 0.00 1.23 0.37 0.00 0.00 175.52 177.25 1rwa h GLY 240 N 0.73 0.00 0.00 2.16 0.00 -1.16 -2.75 103.07 102.05 1rwa h GLY 240 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1rwa h GLY 240 CO -0.34 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.06 1rwa n SER 241 N -2.35 0.00 -0.30 0.19 3.41 -1.05 -4.56 113.62 108.95 1rwa n SER 241 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1rwa n SER 241 Cb 0.37 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.52 1rwa n SER 241 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1rwa h TYR 242 N 0.00 1.09 -0.88 7.33 0.99 -1.76 -0.90 116.97 122.84 1rwa h TYR 242 Ca 0.00 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.78 1rwa h TYR 242 Cb 0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 36.73 37.32 1rwa h TYR 242 CO 0.00 0.64 0.58 0.78 -0.00 0.00 0.00 178.16 180.16 1rwa h GLY 243 N 1.13 1.25 1.17 3.88 0.00 -1.08 -1.82 103.07 107.61 1rwa h GLY 243 Ca 0.35 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1rwa h GLY 243 CO -0.10 0.42 0.00 -2.08 0.00 0.00 0.00 176.54 174.78 1rwa h VAL 244 N 1.16 1.26 -0.48 4.60 2.07 -0.98 -0.56 116.25 123.31 1rwa h VAL 244 Ca 0.34 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1rwa h VAL 244 Cb -0.07 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1rwa h VAL 244 CO -0.09 0.40 0.22 0.58 0.02 0.00 0.00 177.57 178.71 1rwa h VAL 245 N 0.91 0.92 0.03 2.57 2.07 -0.72 0.17 116.25 122.20 1rwa h VAL 245 Ca 0.17 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1rwa h VAL 245 Cb 0.53 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1rwa h VAL 245 CO 0.03 0.08 -0.06 0.25 0.02 0.00 0.00 177.57 177.89 1rwa h LEU 246 N 0.44 -0.16 -0.25 2.57 6.46 -1.13 -1.02 115.31 122.22 1rwa h LEU 246 Ca 0.22 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 1rwa h LEU 246 Cb 0.16 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1rwa h LEU 246 CO -0.17 -0.09 0.12 0.25 -0.62 0.00 0.00 178.44 177.92 1rwa h LEU 247 N -0.12 0.17 0.03 2.25 5.85 -0.70 -0.70 115.31 122.09 1rwa h LEU 247 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1rwa h LEU 247 Cb 0.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1rwa h LEU 247 CO -0.04 0.13 -0.04 0.74 -0.34 0.00 0.00 178.44 178.89 1rwa h THR 248 N 0.25 0.91 -0.34 1.05 2.02 -0.59 -0.63 112.91 115.58 1rwa h THR 248 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 1rwa h THR 248 Cb 0.04 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1rwa h THR 248 CO -0.08 0.00 0.05 1.23 0.37 0.00 0.00 175.52 177.09 1rwa h GLY 249 N -0.08 0.61 1.02 2.16 0.00 -0.93 -1.98 103.07 103.86 1rwa h GLY 249 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1rwa h GLY 249 CO -0.02 0.38 0.45 1.41 0.00 0.00 0.00 176.54 178.76 1rwa h LEU 250 N 0.39 1.01 -0.59 3.11 3.38 -1.11 -0.78 115.31 120.73 1rwa h LEU 250 Ca 0.10 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1rwa h LEU 250 Cb 0.36 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1rwa h LEU 250 CO 0.01 0.81 0.34 0.77 0.09 0.00 0.00 178.44 180.46 1rwa h SER 251 N 1.13 0.53 -0.24 -0.43 4.64 -0.69 0.12 113.55 118.60 1rwa h SER 251 Ca 0.29 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.54 1rwa h SER 251 Cb 0.02 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1rwa h SER 251 CO -0.05 0.36 -0.17 0.11 -0.87 0.00 0.00 176.83 176.21 1rwa h LYS 252 N 0.66 0.54 -0.26 4.77 1.57 -1.12 -2.35 116.57 120.39 1rwa h LYS 252 Ca 0.25 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1rwa h LYS 252 Cb 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1rwa h LYS 252 CO -0.13 0.83 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.12 1rwa h LEU 253 N 0.25 0.80 -0.67 2.94 3.38 -0.98 -0.41 115.31 120.62 1rwa h LEU 253 Ca 0.05 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1rwa h LEU 253 Cb 0.70 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1rwa h LEU 253 CO 0.05 1.16 0.43 -0.26 0.09 0.00 0.00 178.44 179.91 1rwa h PHE 254 N 0.46 0.81 -0.22 1.13 0.05 -0.82 -1.18 116.94 117.18 1rwa h PHE 254 Ca 0.02 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 1rwa h PHE 254 Cb 0.99 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.66 1rwa h PHE 254 CO 0.08 0.49 0.03 1.03 -0.18 0.00 0.00 178.31 179.76 1rwa h SER 255 N 0.87 0.35 -0.49 2.17 0.87 -1.35 -1.40 113.55 114.56 1rwa h SER 255 Ca 0.26 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1rwa h SER 255 Cb -0.05 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1rwa h SER 255 CO -0.08 0.53 0.25 0.25 -0.53 0.00 0.00 176.83 177.25 1rwa h LEU 256 N 0.16 0.35 0.00 2.23 5.85 -0.76 -3.08 115.31 120.06 1rwa h LEU 256 Ca 0.07 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1rwa h LEU 256 Cb 0.33 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1rwa h LEU 256 CO 0.01 0.24 -0.68 0.18 -0.34 0.00 0.00 178.44 177.85 1rwa n LEU 257 N -4.89 0.60 -4.69 2.25 4.77 -0.47 -4.90 117.00 109.67 1rwa n LEU 257 Ca 0.04 0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.63 1rwa n LEU 257 Cb 0.13 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1rwa n LEU 257 CO 0.29 0.06 1.21 0.61 -1.33 0.00 0.00 177.39 178.23 1rwa n GLY 258 N 1.42 1.19 2.38 -0.72 0.00 -0.54 -1.77 105.19 107.15 1rwa n GLY 258 Ca 0.04 0.60 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 1rwa n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwa n GLY 259 N 3.24 0.85 3.87 -0.02 0.00 -1.26 -4.97 105.19 106.90 1rwa n GLY 259 Ca 0.15 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1rwa n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rwa s THR 260 N -2.63 1.34 -1.01 2.61 -4.23 -0.73 -5.01 115.64 105.98 1rwa s THR 260 Ca 0.00 -1.68 0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1rwa s THR 260 Cb 0.00 -2.01 0.12 0.00 1.34 0.00 0.00 72.50 71.95 1rwa s THR 260 CO 0.00 0.00 1.46 0.00 -0.54 0.00 0.00 174.62 175.54 1rwa n ALA 261 N -1.64 1.67 -0.11 3.99 0.00 -1.26 -2.33 120.51 120.83 1rwa n ALA 261 Ca -0.09 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1rwa n ALA 261 Cb 0.65 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.97 1rwa n ALA 261 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rwa n PHE 262 N -1.50 0.31 -1.68 0.00 3.01 -1.26 -5.05 117.46 111.30 1rwa n PHE 262 Ca 0.04 -0.48 -0.44 0.00 1.01 0.00 0.00 57.45 57.58 1rwa n PHE 262 Cb 0.17 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 1rwa n PHE 262 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1rwa n GLU 263 N 0.22 2.03 -1.83 -1.08 2.13 -0.98 -4.88 120.64 116.24 1rwa n GLU 263 Ca 0.08 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 58.19 1rwa n GLU 263 Cb 0.37 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 1rwa n GLU 263 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rwa s VAL 264 N -0.69 3.27 0.00 6.31 1.01 -1.26 -4.83 120.40 124.21 1rwa s VAL 264 Ca 0.61 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1rwa s VAL 264 Cb -0.61 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1rwa s VAL 264 CO 0.57 -0.22 0.69 -1.54 0.00 0.00 0.00 175.10 174.60 1rwa n SER 265 N 10.73 1.36 -4.61 3.32 3.41 -1.26 -5.00 113.62 121.57 1rwa n SER 265 Ca 0.26 -1.41 -0.46 0.00 -0.26 0.00 0.00 58.87 56.99 1rwa n SER 265 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1rwa n SER 265 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rwa n ASP 266 N -0.21 3.25 0.27 4.04 -0.08 -1.26 -4.80 116.55 117.75 1rwa n ASP 266 Ca 0.00 0.63 0.15 0.00 -1.51 0.00 0.00 54.79 54.05 1rwa n ASP 266 Cb 0.12 -1.43 0.70 0.00 2.34 0.00 0.00 41.12 42.86 1rwa n ASP 266 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rwa h PRO 267 N 11.77 0.00 0.00 -0.67 0.13 -2.04 -2.22 132.00 138.97 1rwa h PRO 267 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1rwa h PRO 267 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1rwa h PRO 267 CO 0.96 0.10 0.00 0.25 -0.23 0.00 0.00 178.00 179.08 1rwa n THR 268 N -3.33 0.37 0.20 1.56 -2.24 -1.26 -2.65 114.28 106.93 1rwa n THR 268 Ca -0.01 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1rwa n THR 268 Cb 0.29 -0.84 0.61 0.00 -2.10 0.00 0.00 70.33 68.29 1rwa n THR 268 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1rwa h ARG 269 N 0.00 0.00 -0.45 -0.78 0.11 -1.78 -1.12 114.38 110.36 1rwa h ARG 269 Ca 0.00 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.21 1rwa h ARG 269 Cb 0.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 1rwa h ARG 269 CO 0.00 0.00 0.41 0.66 0.10 0.00 0.00 179.97 181.14 1rwa h SER 270 N 0.00 0.00 -0.60 0.08 4.64 -1.77 -0.55 113.55 115.35 1rwa h SER 270 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1rwa h SER 270 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1rwa h SER 270 CO 0.00 0.00 0.07 0.40 -0.87 0.00 0.00 176.83 176.43 1rwa h ILE 271 N 0.00 1.26 -0.34 0.95 2.04 -1.49 0.53 117.51 120.46 1rwa h ILE 271 Ca 0.22 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1rwa h ILE 271 Cb 1.03 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1rwa h ILE 271 CO -0.00 0.38 0.08 0.15 0.00 0.00 0.00 178.15 178.76 1rwa h PHE 272 N 0.91 0.57 -0.82 1.37 3.57 -1.30 -2.31 116.94 118.93 1rwa h PHE 272 Ca 0.18 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1rwa h PHE 272 Cb 0.46 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1rwa h PHE 272 CO 0.03 0.59 0.44 0.74 -2.23 0.00 0.00 178.31 177.88 1rwa h PHE 273 N 0.39 1.14 0.00 0.41 0.04 -1.11 -1.03 116.94 116.77 1rwa h PHE 273 Ca 0.11 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1rwa h PHE 273 Cb 0.30 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1rwa h PHE 273 CO 0.02 0.80 -0.02 -0.44 -0.60 0.00 0.00 178.31 178.06 1rwa h ASP 274 N 1.15 0.00 0.90 2.17 3.32 -0.65 -1.98 116.42 121.33 1rwa h ASP 274 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1rwa h ASP 274 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1rwa h ASP 274 CO -0.04 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 1rwa h ALA 275 N 1.98 1.00 0.14 3.45 0.00 -0.62 -0.25 119.26 124.96 1rwa h ALA 275 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwa h ALA 275 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rwa h ALA 275 CO 0.00 0.00 -0.13 0.28 0.00 0.00 0.00 179.25 179.40 1rwa h VAL 276 N 0.00 0.70 0.02 0.00 2.07 -1.39 0.71 116.25 118.35 1rwa h VAL 276 Ca 0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1rwa h VAL 276 Cb 0.45 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1rwa h VAL 276 CO 0.00 0.00 -1.29 -0.33 0.02 0.00 0.00 177.57 175.97 1rwa h GLU 277 N -0.30 0.03 0.00 1.57 5.08 -1.75 0.58 114.58 119.80 1rwa h GLU 277 Ca 0.00 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 1rwa h GLU 277 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1rwa h GLU 277 CO -0.04 0.86 -0.94 0.78 -1.00 0.00 0.00 179.01 178.67 1rwa h GLY 278 N 2.99 0.00 0.00 -3.84 0.00 -0.95 -3.39 103.07 97.88 1rwa h GLY 278 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1rwa h GLY 278 CO 0.12 0.00 -0.51 1.44 0.00 0.00 0.00 176.54 177.59 1rwa n SER 279 N -3.26 0.85 -0.06 0.19 7.64 0.10 -4.45 113.62 114.63 1rwa n SER 279 Ca -0.01 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 1rwa n SER 279 Cb 0.88 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 63.69 1rwa n SER 279 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1rwa h PHE 280 N -0.12 -0.00 -0.93 1.43 -1.00 -1.14 -3.38 116.94 111.80 1rwa h PHE 280 Ca -0.03 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.86 1rwa h PHE 280 Cb 0.47 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.95 1rwa h PHE 280 CO -0.04 0.89 0.56 0.00 -1.61 0.00 0.00 178.31 178.11 1rwa h ALA 281 N -0.06 1.37 0.00 2.45 0.00 -1.07 -2.42 119.26 119.53 1rwa h ALA 281 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rwa h ALA 281 Cb 0.90 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1rwa h ALA 281 CO 0.00 0.15 -0.03 -1.35 0.00 0.00 0.00 179.25 178.02 1rwa h PRO 282 N 0.89 0.00 -0.40 0.00 0.11 -1.77 -2.70 132.00 128.13 1rwa h PRO 282 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1rwa h PRO 282 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1rwa h PRO 282 CO -0.27 0.03 0.00 1.33 -0.21 0.00 0.00 178.00 178.89 1rwa n VAL 283 N -3.19 0.64 -3.01 3.15 0.24 -0.92 -4.87 118.33 110.36 1rwa n VAL 283 Ca -0.01 -0.82 -0.40 0.00 -2.04 0.00 0.00 64.34 61.07 1rwa n VAL 283 Cb 0.25 0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 33.40 1rwa n VAL 283 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1rwa s MET 284 N -1.23 4.41 -0.30 7.34 -1.94 -1.02 -0.89 119.30 125.67 1rwa s MET 284 Ca 0.34 0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 55.23 1rwa s MET 284 Cb 0.19 -3.47 0.10 0.00 2.01 0.00 0.00 34.83 33.66 1rwa s MET 284 CO 0.27 -0.01 0.08 0.42 -0.01 0.00 0.00 175.02 175.76 1rwa s ILE 285 N 1.06 1.05 -1.57 2.53 1.01 0.64 -4.82 121.20 121.10 1rwa s ILE 285 Ca 0.38 -1.46 -0.15 0.00 0.00 0.00 0.00 60.65 59.42 1rwa s ILE 285 Cb -0.18 -1.76 0.11 0.00 0.01 0.00 0.00 42.46 40.65 1rwa s ILE 285 CO 0.17 -0.61 0.84 0.59 0.00 0.00 0.00 174.94 175.93 1rwa n ASN 286 N 4.78 -4.12 0.00 3.58 3.02 -1.26 -1.68 115.26 119.58 1rwa n ASN 286 Ca -0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1rwa n ASN 286 Cb 0.42 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 1rwa n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rwa n GLY 287 N -1.49 0.39 3.49 7.41 0.00 -1.24 -4.27 105.19 109.48 1rwa n GLY 287 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1rwa n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa s ALA 288 N -2.14 2.72 0.13 4.61 0.00 -0.68 -3.97 121.76 122.44 1rwa s ALA 288 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 1rwa s ALA 288 Cb 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1rwa s ALA 288 CO 0.00 0.55 1.16 -1.64 0.00 0.00 0.00 175.76 175.83 1rwa s MET 289 N -0.71 4.50 0.23 0.00 -1.94 -0.22 -0.26 119.30 120.90 1rwa s MET 289 Ca 0.11 1.78 -0.32 0.00 -1.71 0.00 0.00 55.69 55.55 1rwa s MET 289 Cb -0.11 -3.30 -0.13 0.00 2.01 0.00 0.00 34.83 33.30 1rwa s MET 289 CO 0.01 -0.09 1.47 0.00 -0.01 0.00 0.00 175.02 176.39 1rwa n ALA 290 N 3.00 1.35 -0.02 3.03 0.00 -0.06 -4.57 120.51 123.24 1rwa n ALA 290 Ca 0.05 0.42 0.09 0.00 0.00 0.00 0.00 53.44 54.00 1rwa n ALA 290 Cb 0.46 -2.32 0.50 0.00 0.00 0.00 0.00 19.45 18.09 1rwa n ALA 290 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rwa h ASP 291 N 4.71 0.35 0.09 0.00 3.32 -1.93 -1.77 116.42 121.18 1rwa h ASP 291 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1rwa h ASP 291 Cb 1.26 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1rwa h ASP 291 CO 0.79 0.23 -0.01 0.00 -1.72 0.00 0.00 179.24 178.53 1rwa h ALA 292 N 1.74 1.18 -0.32 3.45 0.00 -1.95 -2.28 119.26 121.08 1rwa h ALA 292 Ca 0.21 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1rwa h ALA 292 Cb 0.32 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1rwa h ALA 292 CO -0.05 0.01 -0.02 1.33 0.00 0.00 0.00 179.25 180.52 1rwa n VAL 293 N -3.35 2.43 -0.99 0.00 0.24 -0.67 -4.58 118.33 111.41 1rwa n VAL 293 Ca -0.03 -2.30 0.05 0.00 -2.04 0.00 0.00 64.34 60.02 1rwa n VAL 293 Cb 0.10 -0.29 0.07 0.00 -1.47 0.00 0.00 33.84 32.24 1rwa n VAL 293 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1rwa n ARG 294 N -0.86 1.33 0.00 7.34 1.85 -0.86 -0.56 116.66 124.90 1rwa n ARG 294 Ca 0.28 -1.84 0.00 0.00 -1.00 0.00 0.00 57.85 55.29 1rwa n ARG 294 Cb 0.98 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 1rwa n ARG 294 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rwa n GLY 295 N -0.82 2.97 0.10 2.89 0.00 -1.26 -1.61 105.19 107.47 1rwa n GLY 295 Ca 0.08 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1rwa n GLY 295 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rwa n ARG 296 N 14.00 0.16 0.01 1.61 1.85 -1.26 -3.13 116.66 129.91 1rwa n ARG 296 Ca 0.00 0.34 0.09 0.00 -1.00 0.00 0.00 57.85 57.27 1rwa n ARG 296 Cb 0.00 -1.78 0.38 0.00 -1.05 0.00 0.00 32.46 30.01 1rwa n ARG 296 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1rwa n SER 297 N -2.08 0.06 0.20 2.89 3.41 -0.63 -2.16 113.62 115.31 1rwa n SER 297 Ca 0.03 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1rwa n SER 297 Cb 0.26 -0.53 0.69 0.00 -0.26 0.00 0.00 64.21 64.38 1rwa n SER 297 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1rwa h ILE 298 N 0.00 0.85 0.00 -1.33 3.07 -1.71 -1.41 117.51 116.98 1rwa h ILE 298 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1rwa h ILE 298 Cb 0.31 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1rwa h ILE 298 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 1rwa n SER 299 N -4.37 0.00 -4.54 2.16 3.41 -0.92 -4.79 113.62 104.57 1rwa n SER 299 Ca 0.00 -1.09 -0.40 0.00 -0.26 0.00 0.00 58.87 57.12 1rwa n SER 299 Cb 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 1rwa n SER 299 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rwa s ARG 300 N -2.00 3.56 0.40 4.33 0.52 -0.53 -4.45 118.95 120.78 1rwa s ARG 300 Ca 0.30 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 55.01 1rwa s ARG 300 Cb 0.14 -3.79 0.84 0.00 0.52 0.00 0.00 34.95 32.66 1rwa s ARG 300 CO 0.23 -0.42 2.00 1.49 0.02 0.00 0.00 175.30 178.62 1rwa h GLU 301 N 8.47 0.38 -0.08 3.54 4.81 -1.88 -2.98 114.58 126.85 1rwa h GLU 301 Ca -0.32 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1rwa h GLU 301 Cb 1.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1rwa h GLU 301 CO 0.63 0.35 -0.23 0.00 -0.73 0.00 0.00 179.01 179.03 1rwa n ALA 302 N -2.49 3.27 -3.24 2.92 0.00 -1.26 -4.69 120.51 115.03 1rwa n ALA 302 Ca 0.01 -2.98 -0.24 0.00 0.00 0.00 0.00 53.44 50.23 1rwa n ALA 302 Cb 0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 1rwa n ALA 302 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rwa n ASN 303 N -1.17 -0.30 -4.87 0.00 4.05 -1.12 -5.03 115.26 106.81 1rwa n ASN 303 Ca 0.21 -2.60 -0.21 0.00 0.45 0.00 0.00 54.58 52.42 1rwa n ASN 303 Cb 0.75 -0.44 0.08 0.00 1.23 0.00 0.00 39.78 41.40 1rwa n ASN 303 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1rwa s THR 304 N -0.58 2.16 0.38 -0.44 -4.23 -1.26 -4.63 115.64 107.04 1rwa s THR 304 Ca 0.34 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 1rwa s THR 304 Cb 0.12 -2.35 0.25 0.00 1.34 0.00 0.00 72.50 71.86 1rwa s THR 304 CO -0.15 0.00 2.01 1.23 -0.54 0.00 0.00 174.62 177.18 1rwa h GLY 305 N -0.13 0.67 1.23 3.99 0.00 -1.93 -1.11 103.07 105.79 1rwa h GLY 305 Ca -0.33 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.50 1rwa h GLY 305 CO 0.40 0.27 -0.81 -0.97 0.00 0.00 0.00 176.54 175.43 1rwa h TYR 306 N 0.64 1.02 -0.33 5.60 -1.99 -1.87 0.59 116.97 120.63 1rwa h TYR 306 Ca 0.17 -0.46 0.04 0.00 2.00 0.00 0.00 58.73 60.47 1rwa h TYR 306 Cb -0.01 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 1rwa h TYR 306 CO 0.00 1.29 0.11 -0.44 -0.00 0.00 0.00 178.16 179.13 1rwa h ASP 307 N 0.50 0.12 -0.32 3.88 3.32 -1.79 -0.39 116.42 121.74 1rwa h ASP 307 Ca -0.06 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1rwa h ASP 307 Cb 1.44 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 1rwa h ASP 307 CO 0.16 0.10 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.45 1rwa h LEU 308 N 0.25 0.79 -1.07 1.55 3.38 -1.19 -2.08 115.31 116.95 1rwa h LEU 308 Ca 0.15 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1rwa h LEU 308 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1rwa h LEU 308 CO -0.16 1.08 0.53 1.23 0.09 0.00 0.00 178.44 181.21 1rwa h GLY 309 N 0.52 1.24 1.19 0.83 0.00 -0.81 -0.98 103.07 105.06 1rwa h GLY 309 Ca 0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1rwa h GLY 309 CO 0.07 0.49 -0.10 0.00 0.00 0.00 0.00 176.54 177.00 1rwa h ALA 310 N 1.40 0.85 -0.56 3.60 0.00 -0.92 0.28 119.26 123.92 1rwa h ALA 310 Ca 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rwa h ALA 310 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1rwa h ALA 310 CO -0.06 0.65 0.27 0.77 0.00 0.00 0.00 179.25 180.88 1rwa h SER 311 N 0.85 0.73 -0.72 0.00 0.02 -1.09 -1.26 113.55 112.08 1rwa h SER 311 Ca 0.14 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1rwa h SER 311 Cb 0.64 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1rwa h SER 311 CO 0.04 0.65 0.39 0.00 -1.14 0.00 0.00 176.83 176.78 1rwa h ALA 312 N 1.11 0.92 -0.32 3.77 0.00 -0.67 -1.77 119.26 122.29 1rwa h ALA 312 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rwa h ALA 312 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rwa h ALA 312 CO -0.02 0.43 0.10 0.82 0.00 0.00 0.00 179.25 180.58 1rwa h ILE 313 N 0.99 1.20 -0.50 0.00 2.04 -0.63 -0.46 117.51 120.15 1rwa h ILE 313 Ca 0.25 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1rwa h ILE 313 Cb 0.03 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1rwa h ILE 313 CO -0.04 0.22 0.12 -0.08 0.00 0.00 0.00 178.15 178.37 1rwa h GLU 314 N 0.36 0.26 -0.32 2.37 4.81 -1.05 -0.79 114.58 120.21 1rwa h GLU 314 Ca 0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1rwa h GLU 314 Cb 0.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1rwa h GLU 314 CO -0.00 0.17 0.07 0.00 -0.73 0.00 0.00 179.01 178.52 1rwa h ALA 315 N 1.38 0.42 -0.68 2.92 0.00 -1.04 -1.48 119.26 120.78 1rwa h ALA 315 Ca 0.25 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1rwa h ALA 315 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1rwa h ALA 315 CO -0.31 0.09 0.12 0.82 0.00 0.00 0.00 179.25 179.98 1rwa h ILE 316 N 0.35 1.26 -0.66 0.00 2.04 -0.76 -0.45 117.51 119.30 1rwa h ILE 316 Ca 0.10 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1rwa h ILE 316 Cb 0.30 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1rwa h ILE 316 CO 0.00 0.39 0.16 -0.07 0.00 0.00 0.00 178.15 178.63 1rwa h LEU 317 N 1.04 0.99 -0.35 1.44 3.38 -0.99 0.10 115.31 120.92 1rwa h LEU 317 Ca 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1rwa h LEU 317 Cb 0.43 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1rwa h LEU 317 CO 0.01 0.97 0.13 0.25 0.09 0.00 0.00 178.44 179.89 1rwa h LEU 318 N 0.97 0.49 -1.18 1.67 5.85 -0.90 -2.85 115.31 119.36 1rwa h LEU 318 Ca 0.21 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1rwa h LEU 318 Cb 0.36 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1rwa h LEU 318 CO 0.00 0.54 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.44 1rwa h LEU 319 N 0.42 0.39 -1.72 2.25 3.38 -0.88 -2.82 115.31 116.32 1rwa h LEU 319 Ca 0.12 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1rwa h LEU 319 Cb 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1rwa h LEU 319 CO -0.01 0.56 0.41 0.00 0.09 0.00 0.00 178.44 179.49 1rwa h ALA 320 N 1.49 2.15 -0.53 1.53 0.00 -0.55 -2.32 119.26 121.03 1rwa h ALA 320 Ca 0.07 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1rwa h ALA 320 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rwa h ALA 320 CO 0.03 -0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.38 1rwa h ARG 321 N 0.30 0.00 -0.03 0.00 3.08 -1.51 -2.29 114.38 113.94 1rwa h ARG 321 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1rwa h ARG 321 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1rwa h ARG 321 CO -0.07 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 178.83 1rwa n ALA 322 N -2.58 2.47 -2.23 0.04 0.00 -0.87 -4.99 120.51 112.36 1rwa n ALA 322 Ca 0.10 -0.68 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 1rwa n ALA 322 Cb 0.63 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.27 1rwa n ALA 322 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rwa s MET 323 N -2.00 2.95 0.76 0.00 -1.94 -0.86 -5.07 119.30 113.14 1rwa s MET 323 Ca 0.28 -0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 53.65 1rwa s MET 323 Cb 0.20 -2.50 0.06 0.00 2.01 0.00 0.00 34.83 34.60 1rwa s MET 323 CO 0.30 -0.41 1.22 0.16 -0.01 0.00 0.00 175.02 176.28 1rwa s ASP 324 N -4.27 3.89 0.21 3.03 1.47 -1.26 -4.63 116.67 115.11 1rwa s ASP 324 Ca 0.51 2.41 -0.09 0.00 1.18 0.00 0.00 52.55 56.56 1rwa s ASP 324 Cb -0.10 -2.59 0.28 0.00 -0.34 0.00 0.00 42.92 40.17 1rwa s ASP 324 CO 0.39 -2.47 1.74 -0.65 0.68 0.00 0.00 175.17 174.86 1rwa h PRO 325 N -0.53 0.40 -0.46 2.11 0.11 -1.97 -0.15 132.00 131.52 1rwa h PRO 325 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1rwa h PRO 325 Cb 1.30 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1rwa h PRO 325 CO 0.48 0.27 0.16 0.00 -0.21 0.00 0.00 178.00 178.70 1rwa h ALA 326 N 1.42 0.60 -0.34 -0.75 0.00 -1.99 -1.27 119.26 116.93 1rwa h ALA 326 Ca 0.31 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1rwa h ALA 326 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rwa h ALA 326 CO -0.31 0.24 -0.17 1.15 0.00 0.00 0.00 179.25 180.16 1rwa h THR 327 N 0.61 1.29 -0.46 0.00 2.02 -1.84 -1.25 112.91 113.28 1rwa h THR 327 Ca 0.15 -1.29 0.05 0.00 0.77 0.00 0.00 66.41 66.09 1rwa h THR 327 Cb 0.24 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1rwa h THR 327 CO -0.01 0.42 0.19 0.00 0.37 0.00 0.00 175.52 176.49 1rwa h ALA 328 N 0.77 0.56 -0.62 6.16 0.00 -0.86 -0.28 119.26 125.00 1rwa h ALA 328 Ca 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1rwa h ALA 328 Cb 0.71 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1rwa h ALA 328 CO 0.05 -0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.27 1rwa h ALA 329 N 1.28 0.82 -0.17 0.00 0.00 -1.12 -0.30 119.26 119.78 1rwa h ALA 329 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rwa h ALA 329 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rwa h ALA 329 CO -0.19 0.53 0.10 -0.09 0.00 0.00 0.00 179.25 179.60 1rwa h ARG 330 N 0.91 0.23 -0.77 0.00 9.65 -0.72 -0.78 114.38 122.89 1rwa h ARG 330 Ca 0.19 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 1rwa h ARG 330 Cb 0.36 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1rwa h ARG 330 CO 0.00 0.20 0.42 -1.49 2.80 0.00 0.00 179.97 181.90 1rwa h TRP 331 N 0.19 1.07 -0.28 2.20 4.06 -0.94 -0.78 115.95 121.46 1rwa h TRP 331 Ca 0.06 -0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1rwa h TRP 331 Cb 0.04 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 1rwa h TRP 331 CO -0.05 0.75 -0.20 0.00 -3.56 0.00 0.00 178.44 175.38 1rwa h ARG 332 N 1.07 0.51 -0.41 0.49 3.08 -0.87 -1.53 114.38 116.72 1rwa h ARG 332 Ca 0.27 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1rwa h ARG 332 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1rwa h ARG 332 CO -0.04 0.69 -0.26 0.78 -1.07 0.00 0.00 179.97 180.07 1rwa h GLY 333 N 0.99 0.97 0.65 0.04 0.00 -0.64 0.17 103.07 105.25 1rwa h GLY 333 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.52 1rwa h GLY 333 CO 0.04 0.83 -0.10 1.41 0.00 0.00 0.00 176.54 178.73 1rwa h LEU 334 N 0.71 -0.29 -0.56 3.11 3.38 -0.92 -1.01 115.31 119.73 1rwa h LEU 334 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1rwa h LEU 334 Cb 0.83 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1rwa h LEU 334 CO 0.07 -0.13 0.32 0.00 0.09 0.00 0.00 178.44 178.79 1rwa h ALA 336 N 1.15 1.66 -0.17 0.00 0.00 -0.42 -0.79 119.26 120.70 1rwa h ALA 336 Ca 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1rwa h ALA 336 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1rwa h ALA 336 CO -0.03 0.31 -0.10 0.78 0.00 0.00 0.00 179.25 180.20 1rwa h GLY 337 N 0.65 0.39 1.99 0.00 0.00 -0.85 -0.39 103.07 104.86 1rwa h GLY 337 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1rwa h GLY 337 CO -0.04 0.34 -0.03 1.49 0.00 0.00 0.00 176.54 178.30 1rwa h TRP 338 N 0.03 0.02 0.02 5.60 6.55 -0.83 -1.55 115.95 125.79 1rwa h TRP 338 Ca 0.03 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 1rwa h TRP 338 Cb 0.60 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.90 1rwa h TRP 338 CO 0.07 0.04 -0.15 0.82 -1.05 0.00 0.00 178.44 178.18 1rwa h ILE 339 N 0.02 1.73 -0.42 1.49 2.04 -1.10 -3.29 117.51 117.98 1rwa h ILE 339 Ca 0.00 -2.34 -0.08 0.00 1.00 0.00 0.00 64.86 63.45 1rwa h ILE 339 Cb 0.06 3.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.43 1rwa h ILE 339 CO 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 178.15 178.72 1rwa h ALA 340 N 0.04 1.12 0.00 1.87 0.00 -0.81 -2.50 119.26 118.98 1rwa h ALA 340 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rwa h ALA 340 Cb 1.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1rwa h ALA 340 CO 0.03 0.56 0.00 0.54 0.00 0.00 0.00 179.25 180.37 1rwa n ARG 341 N -4.20 0.18 -3.29 0.00 1.74 -0.60 -4.51 116.66 105.97 1rwa n ARG 341 Ca 0.02 0.23 -0.47 0.00 -0.77 0.00 0.00 57.85 56.86 1rwa n ARG 341 Cb 0.32 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1rwa n ARG 341 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rwa s ASP 342 N -4.07 6.76 0.00 0.55 2.15 -0.94 -4.77 116.67 116.35 1rwa s ASP 342 Ca 0.09 -2.64 0.26 0.00 0.43 0.00 0.00 52.55 50.70 1rwa s ASP 342 Cb 0.13 -2.23 0.62 0.00 -0.30 0.00 0.00 42.92 41.13 1rwa s ASP 342 CO 0.51 -0.62 1.50 0.35 -0.17 0.00 0.00 175.17 176.74 1rwa n THR 343 N 4.12 0.00 -0.08 1.71 -2.24 -1.26 -3.94 114.28 112.58 1rwa n THR 343 Ca 0.15 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1rwa n THR 343 Cb 0.47 0.98 -0.12 0.00 -2.10 0.00 0.00 70.33 69.56 1rwa n THR 343 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rwa n TYR 344 N 0.69 1.03 -3.43 4.78 9.36 -1.26 -4.52 117.16 123.81 1rwa n TYR 344 Ca 0.16 0.39 -0.26 0.00 3.32 0.00 0.00 57.90 61.51 1rwa n TYR 344 Cb 0.47 -1.11 -0.08 0.00 -0.63 0.00 0.00 39.34 37.99 1rwa n TYR 344 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1rwa n ARG 345 N -4.24 1.82 -1.62 2.98 5.12 -1.26 -5.08 116.66 114.37 1rwa n ARG 345 Ca -0.33 -4.18 -0.47 0.00 -1.93 0.00 0.00 57.85 50.94 1rwa n ARG 345 Cb 0.76 -1.96 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1rwa n ARG 345 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1rwa n PRO 346 N 1.28 1.57 0.13 5.56 -0.02 -1.25 -4.84 135.00 137.42 1rwa n PRO 346 Ca 0.26 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 1rwa n PRO 346 Cb 0.44 -2.11 0.60 0.00 -0.02 0.00 0.00 33.50 32.40 1rwa n PRO 346 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1rwa h ILE 347 N 2.77 0.95 0.00 4.25 2.10 -1.89 -1.90 117.51 123.78 1rwa h ILE 347 Ca -0.44 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1rwa h ILE 347 Cb 1.31 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 1rwa h ILE 347 CO 0.72 0.03 0.00 0.18 -1.08 0.00 0.00 178.15 177.99 1rwa n LEU 348 N -4.49 0.72 -4.68 2.19 4.77 -1.26 -4.27 117.00 109.98 1rwa n LEU 348 Ca 0.02 0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 56.17 1rwa n LEU 348 Cb 0.22 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1rwa n LEU 348 CO 0.35 -0.29 1.20 0.20 -1.33 0.00 0.00 177.39 177.53 1rwa s ASN 349 N -4.35 6.79 -0.46 -1.43 0.01 -0.72 -2.51 114.94 112.27 1rwa s ASN 349 Ca 0.09 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.38 1rwa s ASN 349 Cb 0.12 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1rwa s ASN 349 CO 0.53 -0.80 0.00 -1.20 -1.51 0.00 0.00 177.10 174.12 1rwa n SER 350 N 5.99 -5.32 -4.76 -1.22 7.64 -1.26 -4.99 113.62 109.70 1rwa n SER 350 Ca 0.15 0.11 -0.38 0.00 1.01 0.00 0.00 58.87 59.75 1rwa n SER 350 Cb 0.43 -3.20 0.01 0.00 -1.01 0.00 0.00 64.21 60.44 1rwa n SER 350 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rwa s ALA 351 N -1.56 2.97 1.08 -0.43 0.00 -1.04 -5.03 121.76 117.75 1rwa s ALA 351 Ca 0.00 1.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1rwa s ALA 351 Cb 0.00 -3.48 0.24 0.00 0.00 0.00 0.00 23.12 19.88 1rwa s ALA 351 CO 0.00 -0.97 1.06 -1.54 0.00 0.00 0.00 175.76 174.31 1rwa s SER 352 N -1.08 1.76 0.11 0.00 1.04 -1.26 -4.56 113.70 109.71 1rwa s SER 352 Ca 0.65 1.37 -0.18 0.00 0.48 0.00 0.00 55.95 58.27 1rwa s SER 352 Cb -0.35 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 1rwa s SER 352 CO 0.43 -3.70 1.65 0.58 0.98 0.00 0.00 173.24 173.18 1rwa h VAL 353 N -2.28 1.18 -0.80 5.02 2.07 -1.86 -1.02 116.25 118.57 1rwa h VAL 353 Ca -0.58 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 66.44 1rwa h VAL 353 Cb 1.33 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1rwa h VAL 353 CO 0.54 0.19 0.49 -0.65 0.02 0.00 0.00 177.57 178.16 1rwa h PRO 354 N 0.33 0.88 -0.36 1.57 0.11 -1.84 -1.10 132.00 131.60 1rwa h PRO 354 Ca 0.10 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1rwa h PRO 354 Cb 0.19 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1rwa h PRO 354 CO -0.01 0.58 0.09 -0.09 -0.21 0.00 0.00 178.00 178.36 1rwa h ARG 355 N 0.91 0.57 -0.66 1.05 2.43 -1.89 -2.11 114.38 114.68 1rwa h ARG 355 Ca 0.34 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1rwa h ARG 355 Cb 0.13 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 1rwa h ARG 355 CO -0.16 0.62 0.32 1.15 -1.51 0.00 0.00 179.97 180.39 1rwa h THR 356 N 0.43 0.86 -0.65 0.20 2.02 -0.85 -1.16 112.91 113.75 1rwa h THR 356 Ca 0.11 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1rwa h THR 356 Cb 0.30 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1rwa h THR 356 CO 0.00 0.10 0.43 0.00 0.37 0.00 0.00 175.52 176.42 1rwa h ALA 357 N 1.40 0.83 -0.46 6.16 0.00 -0.96 -0.27 119.26 125.97 1rwa h ALA 357 Ca 0.32 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1rwa h ALA 357 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rwa h ALA 357 CO -0.25 0.24 -0.24 -0.07 0.00 0.00 0.00 179.25 178.92 1rwa h LEU 358 N 0.87 0.98 -0.53 0.00 3.38 -0.83 0.10 115.31 119.27 1rwa h LEU 358 Ca 0.24 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1rwa h LEU 358 Cb -0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1rwa h LEU 358 CO -0.06 1.17 -0.04 0.58 0.09 0.00 0.00 178.44 180.17 1rwa h VAL 359 N 0.82 1.27 -0.44 1.22 2.07 -0.89 -1.36 116.25 118.94 1rwa h VAL 359 Ca 0.10 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1rwa h VAL 359 Cb 0.81 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1rwa h VAL 359 CO 0.07 0.41 0.24 0.11 0.02 0.00 0.00 177.57 178.42 1rwa h LYS 360 N 0.84 0.61 -0.66 1.57 1.79 -0.91 -1.28 116.57 118.54 1rwa h LYS 360 Ca 0.15 -0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.62 1rwa h LYS 360 Cb 0.58 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.05 1rwa h LYS 360 CO 0.03 0.50 0.32 0.37 -1.08 0.00 0.00 179.45 179.59 1rwa h GLN 361 N 0.57 0.56 -0.14 3.15 4.15 -0.80 -1.08 115.11 121.51 1rwa h GLN 361 Ca 0.15 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1rwa h GLN 361 Cb 0.06 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1rwa h GLN 361 CO -0.02 0.37 0.07 1.25 -1.93 0.00 0.00 178.83 178.57 1rwa h LEU 362 N 0.58 0.18 -1.39 -2.39 5.85 -0.91 -2.24 115.31 115.00 1rwa h LEU 362 Ca 0.31 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1rwa h LEU 362 Cb 0.30 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1rwa h LEU 362 CO -0.24 0.24 0.51 -0.08 -0.34 0.00 0.00 178.44 178.53 1rwa h GLU 363 N 0.12 0.66 0.00 1.25 4.81 -0.78 -2.33 114.58 118.30 1rwa h GLU 363 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1rwa h GLU 363 Cb 0.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1rwa h GLU 363 CO -0.01 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1rwa h ALA 364 N 1.61 1.00 0.00 2.92 0.00 -0.62 -2.22 119.26 121.95 1rwa h ALA 364 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1rwa h ALA 364 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rwa h ALA 364 CO -0.14 0.00 -0.13 1.79 0.00 0.00 0.00 179.25 180.77 1rwa h THR 365 N 0.00 0.31 0.00 0.00 1.35 -1.03 -3.46 112.91 110.07 1rwa h THR 365 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1rwa h THR 365 Cb 0.61 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1rwa h THR 365 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1rwa n GLY 366 N 0.20 0.27 3.68 5.82 0.00 -0.84 -4.98 105.19 109.35 1rwa n GLY 366 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1rwa n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwa s VAL 367 N -1.55 2.85 0.54 1.61 1.01 -1.26 -4.96 120.40 118.64 1rwa s VAL 367 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1rwa s VAL 367 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1rwa s VAL 367 CO 0.00 -0.01 1.17 0.00 0.00 0.00 0.00 175.10 176.27 1rwa s ALA 368 N 3.32 2.70 0.24 5.51 0.00 -1.26 -4.86 121.76 127.41 1rwa s ALA 368 Ca 0.81 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 1rwa s ALA 368 Cb -0.43 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 1rwa s ALA 368 CO 0.37 -0.90 1.35 -1.25 0.00 0.00 0.00 175.76 175.32 1rwa s PRO 369 N -3.18 4.34 -0.18 0.00 0.04 -1.26 -4.49 135.00 130.27 1rwa s PRO 369 Ca 0.73 2.17 -0.14 0.00 0.04 0.00 0.00 61.00 63.80 1rwa s PRO 369 Cb -0.28 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1rwa s PRO 369 CO 0.31 -0.29 0.30 0.08 0.04 0.00 0.00 177.00 177.44 1rwa s VAL 370 N -0.20 5.28 0.68 -0.36 1.01 -0.47 -4.79 120.40 121.55 1rwa s VAL 370 Ca 0.56 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 1rwa s VAL 370 Cb -0.39 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1rwa s VAL 370 CO 0.43 0.34 1.12 0.00 0.00 0.00 0.00 175.10 177.00 1rwa s ALA 371 N 0.78 2.40 -0.11 5.51 0.00 -1.26 -4.38 121.76 124.70 1rwa s ALA 371 Ca 0.16 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1rwa s ALA 371 Cb -0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1rwa s ALA 371 CO 0.05 -1.40 1.21 -1.21 0.00 0.00 0.00 175.76 174.41 1rwa s GLU 372 N -4.12 4.30 0.32 0.00 2.02 -1.26 -4.99 118.70 114.97 1rwa s GLU 372 Ca 0.68 1.64 -0.29 0.00 0.02 0.00 0.00 54.97 57.02 1rwa s GLU 372 Cb -0.21 -3.65 -0.10 0.00 0.10 0.00 0.00 34.13 30.27 1rwa s GLU 372 CO 0.43 -0.56 1.33 0.00 0.02 0.00 0.00 175.26 176.48 1rwa s ALA 373 N 2.79 3.52 0.75 5.21 0.00 -1.26 -5.00 121.76 127.76 1rwa s ALA 373 Ca 0.55 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 1rwa s ALA 373 Cb -0.23 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.44 1rwa s ALA 373 CO 0.18 -0.67 1.11 0.95 0.00 0.00 0.00 175.76 177.33 1rwa s THR 374 N -0.97 3.06 0.00 0.00 -4.23 -1.26 -4.71 115.64 107.53 1rwa s THR 374 Ca 0.51 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1rwa s THR 374 Cb -0.40 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1rwa s THR 374 CO 0.52 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1rwa n GLY 375 N -0.67 -0.32 3.22 3.99 0.00 -0.18 -4.90 105.19 106.34 1rwa n GLY 375 Ca 0.10 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1rwa n GLY 375 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rwa s HIS 376 N 0.00 2.43 -0.18 1.61 0.09 -1.26 -0.61 115.29 117.36 1rwa s HIS 376 Ca 0.00 -0.88 -0.00 0.00 -0.00 0.00 0.00 55.06 54.18 1rwa s HIS 376 Cb 0.00 -1.61 0.04 0.00 -0.00 0.00 0.00 32.58 31.01 1rwa s HIS 376 CO 0.00 -0.33 -0.07 0.15 -0.00 0.00 0.00 174.74 174.50 1rwa s LYS 377 N 0.16 1.61 -0.07 1.40 -0.14 -0.15 -5.02 119.74 117.53 1rwa s LYS 377 Ca -0.12 -0.67 -0.02 0.00 -1.36 0.00 0.00 55.97 53.80 1rwa s LYS 377 Cb -0.16 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1rwa s LYS 377 CO 0.06 -0.46 0.02 -0.51 -0.76 0.00 0.00 175.35 173.71 1rwa s LEU 378 N 1.54 3.69 -0.53 3.17 1.43 -1.26 -0.75 118.68 125.97 1rwa s LEU 378 Ca -0.01 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1rwa s LEU 378 Cb -0.16 -1.90 0.23 0.00 0.03 0.00 0.00 46.19 44.39 1rwa s LEU 378 CO -0.08 0.36 0.59 0.49 0.23 0.00 0.00 176.35 177.95 1rwa n PHE 379 N 1.97 1.59 0.13 0.29 3.01 0.09 -4.96 117.46 119.58 1rwa n PHE 379 Ca -0.18 -3.86 0.09 0.00 1.01 0.00 0.00 57.45 54.52 1rwa n PHE 379 Cb 0.54 -0.40 0.58 0.00 -0.01 0.00 0.00 39.48 40.19 1rwa n PHE 379 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1rwa h PRO 380 N 4.40 0.17 0.00 -1.08 0.11 -1.87 -1.86 132.00 131.86 1rwa h PRO 380 Ca 0.15 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1rwa h PRO 380 Cb 0.78 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1rwa h PRO 380 CO 0.63 0.11 -0.11 0.00 -0.21 0.00 0.00 178.00 178.42 1rwa h ALA 381 N 1.87 1.21 -0.10 -0.75 0.00 -1.94 -2.88 119.26 116.67 1rwa h ALA 381 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwa h ALA 381 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rwa h ALA 381 CO -0.02 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1rwa n MET 382 N -3.52 2.39 -3.80 0.00 0.00 -0.76 -4.96 117.12 106.47 1rwa n MET 382 Ca -0.01 -2.19 -0.25 0.00 0.00 0.00 0.00 57.70 55.24 1rwa n MET 382 Cb 0.25 -1.36 0.03 0.00 0.00 0.00 0.00 33.22 32.14 1rwa n MET 382 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1rwa n ASP 383 N -0.65 -2.93 -4.04 3.17 8.00 -0.83 -4.69 116.55 114.58 1rwa n ASP 383 Ca 0.11 -0.80 -0.18 0.00 0.71 0.00 0.00 54.79 54.64 1rwa n ASP 383 Cb 0.52 -3.99 -0.14 0.00 -0.02 0.00 0.00 41.12 37.49 1rwa n ASP 383 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rwa s ARG 384 N -6.29 0.69 0.06 -1.24 1.81 -1.06 -3.24 118.95 109.69 1rwa s ARG 384 Ca 0.32 -0.46 0.02 0.00 -1.72 0.00 0.00 55.73 53.89 1rwa s ARG 384 Cb -0.16 -0.64 -0.03 0.00 -0.45 0.00 0.00 34.95 33.67 1rwa s ARG 384 CO 0.82 0.17 -0.08 0.95 -0.68 0.00 0.00 175.30 176.48 1rwa s THR 385 N -0.52 0.62 0.02 0.02 -4.23 -1.24 -0.73 115.64 109.59 1rwa s THR 385 Ca 0.01 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1rwa s THR 385 Cb -0.05 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1rwa s THR 385 CO 0.00 -0.49 -0.20 -0.04 -0.54 0.00 0.00 174.62 173.35 1rwa s MET 386 N -2.15 1.47 -0.08 3.99 -1.94 0.07 -2.08 119.30 118.58 1rwa s MET 386 Ca -0.04 -0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 53.04 1rwa s MET 386 Cb -0.06 -1.52 0.03 0.00 2.01 0.00 0.00 34.83 35.29 1rwa s MET 386 CO -0.01 0.40 0.21 -1.01 -0.01 0.00 0.00 175.02 174.60 1rwa s HIS 387 N -0.66 -0.25 0.03 -0.03 3.76 -0.25 -0.97 115.29 116.91 1rwa s HIS 387 Ca 0.07 0.61 0.05 0.00 -0.15 0.00 0.00 55.06 55.64 1rwa s HIS 387 Cb -0.08 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.63 1rwa s HIS 387 CO 0.01 -0.16 -0.14 1.03 -0.85 0.00 0.00 174.74 174.63 1rwa s ARG 388 N 0.66 0.94 0.27 1.40 0.52 0.22 -0.21 118.95 122.75 1rwa s ARG 388 Ca -0.05 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1rwa s ARG 388 Cb -0.06 -0.94 -0.00 0.00 0.52 0.00 0.00 34.95 34.47 1rwa s ARG 388 CO -0.04 0.23 0.33 0.41 0.02 0.00 0.00 175.30 176.26 1rwa n GLY 389 N 2.02 2.60 3.64 -3.53 0.00 -0.79 -1.01 105.19 108.12 1rwa n GLY 389 Ca -0.17 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1rwa n GLY 389 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rwa s PRO 390 N -2.78 3.78 0.00 1.61 0.02 -1.26 -1.59 135.00 134.78 1rwa s PRO 390 Ca 0.26 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1rwa s PRO 390 Cb 0.00 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1rwa s PRO 390 CO 0.18 -1.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 1rwa n GLY 391 N 4.93 0.70 3.34 0.52 0.00 -1.26 -4.96 105.19 108.46 1rwa n GLY 391 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1rwa n GLY 391 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1rwa s TRP 392 N -2.44 -0.29 -0.04 1.61 1.48 -0.62 -4.09 118.94 114.55 1rwa s TRP 392 Ca 0.00 0.21 -0.01 0.00 -1.06 0.00 0.00 56.10 55.24 1rwa s TRP 392 Cb 0.00 0.25 0.03 0.00 -1.16 0.00 0.00 33.47 32.59 1rwa s TRP 392 CO 0.00 -0.61 0.02 0.00 -4.06 0.00 0.00 176.95 172.30 1rwa s ALA 393 N -2.75 0.33 -0.22 2.67 0.00 -0.11 -1.89 121.76 119.81 1rwa s ALA 393 Ca -0.04 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 1rwa s ALA 393 Cb -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1rwa s ALA 393 CO -0.04 -0.29 0.15 -1.17 0.00 0.00 0.00 175.76 174.41 1rwa s LEU 394 N 1.60 4.17 -0.19 0.00 2.96 0.70 -0.36 118.68 127.56 1rwa s LEU 394 Ca -0.02 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1rwa s LEU 394 Cb -0.13 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1rwa s LEU 394 CO -0.03 0.13 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.43 1rwa s SER 395 N 0.67 3.54 -0.12 3.68 0.15 -0.28 -1.10 113.70 120.25 1rwa s SER 395 Ca 0.08 -0.55 -0.10 0.00 0.70 0.00 0.00 55.95 56.08 1rwa s SER 395 Cb -0.12 -1.56 -0.05 0.00 -1.71 0.00 0.00 66.02 62.58 1rwa s SER 395 CO 0.01 0.01 0.21 -0.76 1.20 0.00 0.00 173.24 173.91 1rwa s LEU 396 N 1.25 4.35 -0.30 3.45 1.43 -0.88 -1.49 118.68 126.49 1rwa s LEU 396 Ca 0.03 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1rwa s LEU 396 Cb -0.14 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 43.93 1rwa s LEU 396 CO -0.08 0.30 -0.03 0.00 0.23 0.00 0.00 176.35 176.78 1rwa s ALA 397 N -0.55 2.74 0.52 4.21 0.00 -0.68 -3.62 121.76 124.38 1rwa s ALA 397 Ca 0.16 -1.94 0.06 0.00 0.00 0.00 0.00 51.96 50.23 1rwa s ALA 397 Cb -0.13 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.19 1rwa s ALA 397 CO 0.05 -1.34 0.37 -0.51 0.00 0.00 0.00 175.76 174.32 1rwa s LEU 398 N 1.12 2.79 0.13 0.00 1.43 -1.20 -1.29 118.68 121.66 1rwa s LEU 398 Ca -0.03 -1.19 -0.09 0.00 -1.03 0.00 0.00 54.13 51.79 1rwa s LEU 398 Cb -0.20 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 1rwa s LEU 398 CO -0.04 -1.01 0.23 -0.44 0.23 0.00 0.00 176.35 175.32 1rwa s SER 399 N -4.23 0.09 0.11 2.29 0.01 -1.12 -4.76 113.70 106.10 1rwa s SER 399 Ca 0.35 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 1rwa s SER 399 Cb -0.02 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.63 1rwa s SER 399 CO 0.21 -0.81 0.41 -1.54 0.41 0.00 0.00 173.24 171.93 1rwa n SER 400 N -0.14 -0.83 0.00 2.44 3.41 -0.38 -4.71 113.62 113.41 1rwa n SER 400 Ca -0.11 -1.49 0.04 0.00 -0.26 0.00 0.00 58.87 57.04 1rwa n SER 400 Cb 0.63 1.37 0.17 0.00 -0.26 0.00 0.00 64.21 66.11 1rwa n SER 400 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rwa n ASN 401 N -1.00 0.00 -0.03 4.04 0.23 -0.79 -1.60 115.26 116.11 1rwa n ASN 401 Ca -0.02 0.38 0.06 0.00 -0.53 0.00 0.00 54.58 54.47 1rwa n ASN 401 Cb 0.25 -0.42 -0.15 0.00 -2.08 0.00 0.00 39.78 37.39 1rwa n ASN 401 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1rwa n ARG 402 N -1.42 0.69 -3.91 -3.83 1.74 -1.26 -4.91 116.66 103.76 1rwa n ARG 402 Ca 0.02 -0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 56.72 1rwa n ARG 402 Cb 0.08 -1.46 -0.17 0.00 -1.02 0.00 0.00 32.46 29.88 1rwa n ARG 402 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1rwa s ILE 403 N -3.14 0.72 0.57 0.55 -1.09 -0.63 -4.64 121.20 113.54 1rwa s ILE 403 Ca -0.08 -0.11 -0.20 0.00 -2.23 0.00 0.00 60.65 58.03 1rwa s ILE 403 Cb 0.11 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 40.16 1rwa s ILE 403 CO 0.79 0.31 1.22 0.00 -1.23 0.00 0.00 174.94 176.04 1rwa s ALA 404 N 1.69 2.63 0.26 9.38 0.00 -0.04 -1.25 121.76 134.43 1rwa s ALA 404 Ca 0.02 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1rwa s ALA 404 Cb -0.13 -3.46 0.54 0.00 0.00 0.00 0.00 23.12 20.07 1rwa s ALA 404 CO -0.06 -1.14 1.77 -1.49 0.00 0.00 0.00 175.76 174.84 1rwa h TRP 405 N 1.10 0.79 -2.25 0.00 6.55 -1.88 -3.45 115.95 116.81 1rwa h TRP 405 Ca -0.50 0.03 0.18 0.00 0.95 0.00 0.00 58.89 59.55 1rwa h TRP 405 Cb 1.29 -0.22 -0.09 0.00 -0.86 0.00 0.00 29.16 29.28 1rwa h TRP 405 CO 0.47 0.19 0.52 1.52 -1.05 0.00 0.00 178.44 180.09 1rwa s TYR 406 N -5.97 -0.15 -0.12 0.49 -0.00 -1.26 -2.30 117.35 108.05 1rwa s TYR 406 Ca -0.12 -0.12 0.01 0.00 -0.00 0.00 0.00 57.07 56.83 1rwa s TYR 406 Cb 0.22 0.62 0.02 0.00 -0.00 0.00 0.00 41.96 42.82 1rwa s TYR 406 CO 0.78 -0.74 -0.12 -2.00 -0.00 0.00 0.00 175.55 173.47 1rwa s GLU 407 N -3.19 1.92 0.13 -3.49 -6.30 -1.26 -5.06 118.70 101.45 1rwa s GLU 407 Ca 0.12 -0.42 0.04 0.00 -2.50 0.00 0.00 54.97 52.20 1rwa s GLU 407 Cb -0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 34.13 32.30 1rwa s GLU 407 CO 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 175.26 175.01 1rwa n GLY 409 N -0.12 1.50 2.77 0.00 0.00 -0.87 -4.98 105.19 103.49 1rwa n GLY 409 Ca -0.11 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1rwa n GLY 409 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rwa n ASN 410 N 0.00 -4.66 0.00 1.61 3.02 -1.26 -0.47 115.26 113.50 1rwa n ASN 410 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1rwa n ASN 410 Cb 0.00 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 1rwa n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rwa n GLY 411 N -1.08 0.51 3.23 7.41 0.00 -1.26 -4.77 105.19 109.24 1rwa n GLY 411 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1rwa n GLY 411 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rwa s GLU 412 N -0.07 3.12 -0.88 1.61 2.02 0.38 -1.13 118.70 123.74 1rwa s GLU 412 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1rwa s GLU 412 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1rwa s GLU 412 CO 0.00 0.08 0.00 -1.71 0.02 0.00 0.00 175.26 173.65 1rwa n ASN 413 N 3.83 -3.57 0.26 -0.19 5.15 -1.13 -2.05 115.26 117.55 1rwa n ASN 413 Ca -0.19 0.08 0.17 0.00 -0.60 0.00 0.00 54.58 54.04 1rwa n ASN 413 Cb 0.52 -2.50 0.80 0.00 -0.53 0.00 0.00 39.78 38.07 1rwa n ASN 413 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1rwa h ASN 414 N 0.00 0.00 -0.10 1.20 2.35 -1.84 -1.81 115.58 115.37 1rwa h ASN 414 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1rwa h ASN 414 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1rwa h ASN 414 CO 0.27 0.00 0.00 -1.14 -1.65 0.00 0.00 177.43 174.91 1rwa n ARG 415 N -2.83 2.19 -0.05 0.81 0.63 -1.26 -0.93 116.66 115.22 1rwa n ARG 415 Ca -0.00 -1.74 -0.00 0.00 -0.92 0.00 0.00 57.85 55.18 1rwa n ARG 415 Cb 0.19 -1.47 0.02 0.00 0.45 0.00 0.00 32.46 31.64 1rwa n ARG 415 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rwa n GLY 416 N 1.33 1.78 0.26 5.14 0.00 -0.68 -4.49 105.19 108.53 1rwa n GLY 416 Ca 0.16 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1rwa n GLY 416 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1rwa h TYR 417 N 0.13 0.00 -0.08 1.61 -0.00 -1.84 -1.62 116.97 115.17 1rwa h TYR 417 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1rwa h TYR 417 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.50 1rwa h TYR 417 CO 0.06 0.12 0.00 0.72 -0.00 0.00 0.00 178.16 179.06 1rwa n HIS 418 N -3.50 0.09 0.46 0.10 8.25 -1.26 -4.53 115.22 114.82 1rwa n HIS 418 Ca -0.01 -0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.51 1rwa n HIS 418 Cb 0.27 0.00 0.43 0.00 1.12 0.00 0.00 29.99 31.81 1rwa n HIS 418 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rwa n THR 419 N 0.66 0.85 -0.58 1.59 -2.24 -0.61 -1.81 114.28 112.14 1rwa n THR 419 Ca 0.17 0.21 0.08 0.00 -2.27 0.00 0.00 64.05 62.24 1rwa n THR 419 Cb 0.44 -1.06 0.27 0.00 -2.10 0.00 0.00 70.33 67.88 1rwa n THR 419 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwa n GLY 420 N 0.10 3.10 2.14 3.38 0.00 -0.97 -4.49 105.19 108.45 1rwa n GLY 420 Ca 0.03 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1rwa n GLY 420 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rwa n SER 421 N 0.51 5.09 -0.36 1.61 7.64 -0.75 -2.79 113.62 124.57 1rwa n SER 421 Ca 0.20 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1rwa n SER 421 Cb 0.74 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1rwa n SER 421 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rwa n GLY 422 N -0.84 0.89 3.77 0.23 0.00 -0.41 -3.18 105.19 105.64 1rwa n GLY 422 Ca 0.54 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1rwa n GLY 422 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rwa s MET 423 N -2.85 4.03 -0.51 1.61 -1.94 -0.81 -3.36 119.30 115.46 1rwa s MET 423 Ca 0.00 2.17 -0.01 0.00 -1.71 0.00 0.00 55.69 56.13 1rwa s MET 423 Cb 0.00 -2.80 0.13 0.00 2.01 0.00 0.00 34.83 34.17 1rwa s MET 423 CO 0.00 -0.45 0.30 0.95 -0.01 0.00 0.00 175.02 175.82 1rwa s THR 424 N -1.24 3.31 -0.30 2.05 -4.23 -0.00 -1.68 115.64 113.53 1rwa s THR 424 Ca 0.56 -2.65 -0.25 0.00 -1.18 0.00 0.00 61.69 58.17 1rwa s THR 424 Cb -0.38 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1rwa s THR 424 CO 0.50 -0.78 0.85 -0.31 -0.54 0.00 0.00 174.62 174.33 1rwa s TYR 425 N 0.40 3.21 -0.46 3.99 1.51 -0.55 -4.61 117.35 120.83 1rwa s TYR 425 Ca 0.13 0.93 -0.11 0.00 -1.01 0.00 0.00 57.07 57.01 1rwa s TYR 425 Cb -0.22 -3.29 0.10 0.00 -0.11 0.00 0.00 41.96 38.44 1rwa s TYR 425 CO -0.04 -0.59 0.33 -0.06 -1.11 0.00 0.00 175.55 174.09 1rwa s PHE 426 N 3.08 3.35 0.26 2.71 0.40 -1.26 -1.13 117.98 125.39 1rwa s PHE 426 Ca 0.35 -1.57 -0.28 0.00 -0.60 0.00 0.00 56.93 54.83 1rwa s PHE 426 Cb -0.14 -3.28 -0.09 0.00 0.51 0.00 0.00 43.02 40.02 1rwa s PHE 426 CO 0.12 -0.92 0.92 0.71 0.70 0.00 0.00 175.22 176.75 1rwa s TYR 427 N 1.44 3.87 0.00 0.36 1.51 0.51 -4.92 117.35 120.13 1rwa s TYR 427 Ca 0.04 1.83 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1rwa s TYR 427 Cb -0.25 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 38.67 1rwa s TYR 427 CO 0.02 0.38 0.00 0.25 -1.11 0.00 0.00 175.55 175.09 1rwa n THR 428 N 1.17 0.00 0.46 -0.71 -2.24 -1.26 -0.93 114.28 110.77 1rwa n THR 428 Ca -0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1rwa n THR 428 Cb 0.48 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.98 1rwa n THR 428 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rwa n SER 429 N -1.35 0.00 -4.38 3.42 3.41 -1.26 -3.57 113.62 109.89 1rwa n SER 429 Ca 0.00 0.38 -0.39 0.00 -0.26 0.00 0.00 58.87 58.60 1rwa n SER 429 Cb 0.00 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1rwa n SER 429 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rwa n ASP 430 N -1.43 4.11 0.25 4.04 2.03 -1.26 -4.78 116.55 119.51 1rwa n ASP 430 Ca 0.04 -2.83 0.09 0.00 0.52 0.00 0.00 54.79 52.60 1rwa n ASP 430 Cb 0.13 -1.69 0.64 0.00 -0.72 0.00 0.00 41.12 39.48 1rwa n ASP 430 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1rwa h LEU 431 N 13.66 0.00 -1.23 -2.67 3.38 -2.00 -1.38 115.31 125.08 1rwa h LEU 431 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1rwa h LEU 431 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1rwa h LEU 431 CO 1.50 0.08 0.00 0.61 0.09 0.00 0.00 178.44 180.72 1rwa n GLY 432 N -1.23 0.56 0.27 0.83 0.00 -1.26 -4.59 105.19 99.77 1rwa n GLY 432 Ca -0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1rwa n GLY 432 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1rwa h GLN 433 N 1.96 -0.16 -0.01 1.61 5.75 -1.61 -0.02 115.11 122.63 1rwa h GLN 433 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1rwa h GLN 433 Cb 0.45 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1rwa h GLN 433 CO 0.00 -0.11 -0.37 0.66 -2.65 0.00 0.00 178.83 176.36 1rwa n TYR 434 N -5.39 0.00 -0.05 3.99 4.02 -1.26 -4.36 117.16 114.11 1rwa n TYR 434 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1rwa n TYR 434 Cb 0.30 -0.08 -0.13 0.00 -0.02 0.00 0.00 39.34 39.42 1rwa n TYR 434 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rwa n ASP 435 N -0.47 1.15 -3.97 7.72 -0.08 -0.72 -4.35 116.55 115.84 1rwa n ASP 435 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.96 1rwa n ASP 435 Cb 0.39 1.25 0.00 0.00 2.34 0.00 0.00 41.12 45.10 1rwa n ASP 435 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1rwa n ASP 436 N -2.38 4.78 -2.03 1.67 2.03 -0.10 -4.35 116.55 116.17 1rwa n ASP 436 Ca -0.16 -3.01 -0.19 0.00 0.52 0.00 0.00 54.79 51.95 1rwa n ASP 436 Cb 0.77 -1.56 -0.04 0.00 -0.72 0.00 0.00 41.12 39.57 1rwa n ASP 436 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rwa n ALA 437 N 5.05 -0.49 -0.01 -1.67 0.00 -1.26 -4.89 120.51 117.24 1rwa n ALA 437 Ca 0.43 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 1rwa n ALA 437 Cb 0.39 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 1rwa n ALA 437 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1rwa h PHE 438 N 0.00 -0.10 0.00 0.00 3.57 -1.76 -2.27 116.94 116.39 1rwa h PHE 438 Ca -0.43 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1rwa h PHE 438 Cb 1.31 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1rwa h PHE 438 CO 0.57 -0.07 0.00 0.91 -2.23 0.00 0.00 178.31 177.48 1rwa n TRP 439 N -5.18 0.00 0.02 0.41 7.02 -1.26 -0.66 117.44 117.79 1rwa n TRP 439 Ca -0.04 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.40 1rwa n TRP 439 Cb 0.11 -0.46 -0.10 0.00 -2.42 0.00 0.00 31.31 28.43 1rwa n TRP 439 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rwa h ALA 440 N 2.95 0.68 0.00 6.99 0.00 -1.82 -3.42 119.26 124.63 1rwa h ALA 440 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 53.80 1rwa h ALA 440 Cb 0.40 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rwa h ALA 440 CO 0.00 1.23 -1.18 0.25 0.00 0.00 0.00 179.25 179.55 1rwa n THR 441 N -3.03 0.06 -1.12 0.00 -2.24 -0.88 -4.12 114.28 102.95 1rwa n THR 441 Ca -0.11 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1rwa n THR 441 Cb 0.94 0.07 0.12 0.00 -2.10 0.00 0.00 70.33 69.36 1rwa n THR 441 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rwa n ALA 442 N -1.75 -0.28 -2.58 6.98 0.00 0.16 -4.59 120.51 118.45 1rwa n ALA 442 Ca -0.02 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1rwa n ALA 442 Cb 0.23 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 1rwa n ALA 442 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1rwa s ASN 443 N -2.03 6.36 0.02 0.00 3.84 -1.26 -4.88 114.94 116.98 1rwa s ASN 443 Ca 0.72 -0.10 0.10 0.00 0.21 0.00 0.00 52.86 53.79 1rwa s ASN 443 Cb -0.29 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.28 1rwa s ASN 443 CO 0.52 -1.55 1.31 -1.22 -2.79 0.00 0.00 177.10 173.37 1rwa n TYR 444 N 8.59 0.05 0.91 0.43 4.02 -1.26 -0.99 117.16 128.91 1rwa n TYR 444 Ca 0.06 0.02 0.12 0.00 -0.01 0.00 0.00 57.90 58.10 1rwa n TYR 444 Cb 0.49 -0.54 0.13 0.00 -0.02 0.00 0.00 39.34 39.40 1rwa n TYR 444 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1rwa n ASN 445 N -1.55 3.03 -2.72 7.72 3.02 -1.26 -4.50 115.26 119.00 1rwa n ASN 445 Ca 0.02 -1.99 -0.06 0.00 -0.03 0.00 0.00 54.58 52.53 1rwa n ASN 445 Cb 0.11 -0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1rwa n ASN 445 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rwa n ARG 446 N 1.34 1.61 -2.06 3.52 1.74 -0.16 -4.92 116.66 117.72 1rwa n ARG 446 Ca 0.15 -3.46 -0.37 0.00 -0.77 0.00 0.00 57.85 53.41 1rwa n ARG 446 Cb 0.59 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1rwa n ARG 446 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rwa s LEU 447 N -3.50 3.81 0.26 0.55 1.43 -1.15 -4.59 118.68 115.48 1rwa s LEU 447 Ca 0.29 2.42 -0.31 0.00 -1.03 0.00 0.00 54.13 55.49 1rwa s LEU 447 Cb 0.39 -4.44 -0.12 0.00 0.03 0.00 0.00 46.19 42.05 1rwa s LEU 447 CO -0.01 -1.36 1.66 -2.16 0.23 0.00 0.00 176.35 174.71 1rwa s PRO 448 N -3.07 4.12 0.00 1.29 0.04 -1.26 -2.74 135.00 133.37 1rwa s PRO 448 Ca 0.72 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.36 1rwa s PRO 448 Cb -0.31 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1rwa s PRO 448 CO 0.36 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1rwa n GLY 449 N 2.98 3.27 3.79 0.56 0.00 0.47 -0.82 105.19 115.42 1rwa n GLY 449 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1rwa n GLY 449 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rwa s ILE 450 N -2.23 3.54 -0.10 -0.61 -4.36 -1.11 -4.56 121.20 111.77 1rwa s ILE 450 Ca 0.00 0.60 -0.05 0.00 -0.26 0.00 0.00 60.65 60.94 1rwa s ILE 450 Cb 0.00 -3.16 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 1rwa s ILE 450 CO 0.00 -0.55 0.09 -0.89 0.24 0.00 0.00 174.94 173.83 1rwa s THR 451 N -2.68 5.09 -0.14 8.37 2.01 -1.19 -0.98 115.64 126.11 1rwa s THR 451 Ca 0.63 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.59 1rwa s THR 451 Cb -0.17 -3.20 0.06 0.00 0.01 0.00 0.00 72.50 69.20 1rwa s THR 451 CO 0.48 0.60 0.30 0.54 -0.69 0.00 0.00 174.62 175.84 1rwa s VAL 452 N -1.00 -0.31 -0.04 3.82 0.11 0.37 -4.94 120.40 118.41 1rwa s VAL 452 Ca 0.15 0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 1rwa s VAL 452 Cb -0.12 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1rwa s VAL 452 CO 0.04 0.09 1.31 -0.62 -3.33 0.00 0.00 175.10 172.59 1rwa s ASP 453 N 2.04 6.94 0.00 3.54 -1.08 -1.26 -0.85 116.67 126.00 1rwa s ASP 453 Ca -0.03 1.94 0.17 0.00 -0.52 0.00 0.00 52.55 54.11 1rwa s ASP 453 Cb -0.11 -2.56 0.93 0.00 -1.46 0.00 0.00 42.92 39.72 1rwa s ASP 453 CO -0.10 -0.67 1.45 0.35 0.52 0.00 0.00 175.17 176.72 1rwa n THR 454 N 4.74 0.25 -1.65 1.71 -2.24 -0.33 -4.79 114.28 111.98 1rwa n THR 454 Ca 0.12 0.06 -0.51 0.00 -2.27 0.00 0.00 64.05 61.45 1rwa n THR 454 Cb 0.45 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 1rwa n THR 454 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rwa n THR 455 N -1.13 0.43 -1.70 4.28 -1.04 -1.26 -4.91 114.28 108.95 1rwa n THR 455 Ca 0.10 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1rwa n THR 455 Cb 0.09 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 66.90 1rwa n THR 455 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1rwa n PRO 456 N 6.67 2.19 -4.40 -2.82 -0.02 -1.26 -5.00 135.00 130.35 1rwa n PRO 456 Ca 0.27 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 62.21 1rwa n PRO 456 Cb 0.24 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 1rwa n PRO 456 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rwa s LEU 457 N -0.53 3.07 0.52 2.45 1.43 -1.26 -5.11 118.68 119.24 1rwa s LEU 457 Ca 0.62 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 1rwa s LEU 457 Cb -0.59 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 43.76 1rwa s LEU 457 CO 0.55 0.24 1.04 -2.16 0.23 0.00 0.00 176.35 176.25 1rwa s PRO 458 N -1.72 3.67 0.28 1.29 0.04 -1.26 -4.98 135.00 132.32 1rwa s PRO 458 Ca 0.19 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1rwa s PRO 458 Cb -0.11 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 1rwa s PRO 458 CO 0.10 -0.53 1.03 -0.25 0.04 0.00 0.00 177.00 177.39 1rwa n ASP 459 N -1.29 1.33 -0.18 6.66 10.43 -1.26 -1.68 116.55 130.56 1rwa n ASP 459 Ca 0.09 1.17 -0.02 0.00 2.57 0.00 0.00 54.79 58.60 1rwa n ASP 459 Cb 0.53 -1.28 -0.01 0.00 1.84 0.00 0.00 41.12 42.19 1rwa n ASP 459 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1rwa n LYS 460 N 0.87 -0.85 -1.52 -1.24 5.02 -0.11 -4.98 118.16 115.36 1rwa n LYS 460 Ca 0.10 0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 1rwa n LYS 460 Cb 0.31 -4.11 0.01 0.00 -0.02 0.00 0.00 35.03 31.22 1rwa n LYS 460 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1rwa n VAL 461 N -2.59 2.18 -4.46 -0.18 3.14 -0.68 -5.04 118.33 110.71 1rwa n VAL 461 Ca -0.02 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.63 1rwa n VAL 461 Cb 0.25 -0.80 -0.10 0.00 -1.06 0.00 0.00 33.84 32.13 1rwa n VAL 461 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1rwa s GLU 462 N -1.85 1.63 0.00 1.45 2.02 -1.26 -4.89 118.70 115.79 1rwa s GLU 462 Ca 0.65 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1rwa s GLU 462 Cb -0.56 -1.20 0.00 0.00 0.10 0.00 0.00 34.13 32.46 1rwa s GLU 462 CO 0.56 0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1rwa n GLY 463 N -0.65 0.71 3.70 -1.39 0.00 0.40 -3.87 105.19 104.08 1rwa n GLY 463 Ca -0.05 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 43.74 1rwa n GLY 463 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rwa n GLN 464 N 0.00 2.52 -3.02 1.61 1.13 -1.26 -2.11 117.38 116.25 1rwa n GLN 464 Ca 0.00 0.91 -0.22 0.00 -1.94 0.00 0.00 57.00 55.76 1rwa n GLN 464 Cb 0.00 -2.73 0.02 0.00 0.11 0.00 0.00 30.24 27.64 1rwa n GLN 464 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1rwa n TRP 465 N 3.75 -1.78 -1.00 1.08 7.02 -1.26 -1.72 117.44 123.53 1rwa n TRP 465 Ca 0.16 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 57.06 1rwa n TRP 465 Cb 0.32 -3.80 0.00 0.00 -2.42 0.00 0.00 31.31 25.41 1rwa n TRP 465 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rwa n GLY 466 N -1.30 0.46 3.76 6.99 0.00 -0.90 -5.01 105.19 109.18 1rwa n GLY 466 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1rwa n GLY 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa n ALA 467 N 1.00 2.10 0.82 4.61 0.00 -0.70 -4.63 120.51 123.71 1rwa n ALA 467 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.85 1rwa n ALA 467 Cb 0.06 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.07 1rwa n ALA 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rwa n ALA 468 N 0.25 3.82 -2.33 0.00 0.00 -1.26 -0.45 120.51 120.54 1rwa n ALA 468 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 1rwa n ALA 468 Cb 0.39 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 1rwa n ALA 468 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rwa s VAL 469 N -2.39 2.06 0.24 0.00 -7.23 -1.26 -2.95 120.40 108.88 1rwa s VAL 469 Ca 0.11 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 1rwa s VAL 469 Cb 0.14 -1.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 1rwa s VAL 469 CO 0.60 0.49 1.21 -2.16 -0.31 0.00 0.00 175.10 174.92 1rwa s PRO 470 N -0.85 4.49 -1.43 4.82 0.04 -1.24 -4.91 135.00 135.92 1rwa s PRO 470 Ca 0.11 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1rwa s PRO 470 Cb -0.10 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.31 1rwa s PRO 470 CO 0.00 -0.04 2.26 0.00 0.04 0.00 0.00 177.00 179.26 1rwa n ALA 471 N 1.81 5.89 -2.01 8.56 0.00 -1.26 -1.89 120.51 131.61 1rwa n ALA 471 Ca 0.02 -3.95 -0.21 0.00 0.00 0.00 0.00 53.44 49.30 1rwa n ALA 471 Cb 0.44 -3.33 0.07 0.00 0.00 0.00 0.00 19.45 16.63 1rwa n ALA 471 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rwa s ASP 472 N 2.27 4.91 -0.08 0.00 -4.77 -1.26 -4.99 116.67 112.75 1rwa s ASP 472 Ca 0.49 -0.50 -0.22 0.00 -3.30 0.00 0.00 52.55 49.02 1rwa s ASP 472 Cb 0.14 -0.09 -0.17 0.00 -1.09 0.00 0.00 42.92 41.70 1rwa s ASP 472 CO -0.06 -1.44 0.81 -0.33 0.70 0.00 0.00 175.17 174.85 1rwa h GLU 473 N -0.04 -0.10 -1.85 2.11 5.08 -1.92 -3.42 114.58 114.43 1rwa h GLU 473 Ca -0.35 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1rwa h GLU 473 Cb 1.28 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.37 1rwa h GLU 473 CO 0.43 0.44 0.61 1.67 -1.00 0.00 0.00 179.01 181.16 1rwa s TRP 474 N -3.03 -0.28 0.03 4.33 1.48 -1.26 -4.79 118.94 115.43 1rwa s TRP 474 Ca -0.13 0.26 0.03 0.00 -1.06 0.00 0.00 56.10 55.20 1rwa s TRP 474 Cb -0.00 0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 32.80 1rwa s TRP 474 CO 0.51 -0.38 -0.10 -1.12 -4.06 0.00 0.00 176.95 171.80 1rwa s SER 475 N -2.04 1.19 0.00 -2.66 0.01 -1.26 -1.48 113.70 107.47 1rwa s SER 475 Ca 0.05 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1rwa s SER 475 Cb -0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1rwa s SER 475 CO -0.05 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1rwa n GLY 476 N 2.02 -1.36 3.54 3.44 0.00 -0.40 -4.79 105.19 107.64 1rwa n GLY 476 Ca -0.18 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1rwa n GLY 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa s ALA 477 N -1.58 -1.62 0.26 4.61 0.00 -1.26 -0.93 121.76 121.23 1rwa s ALA 477 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 1rwa s ALA 477 Cb 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1rwa s ALA 477 CO 0.00 -0.81 0.38 -0.08 0.00 0.00 0.00 175.76 175.26 1rwa s THR 478 N -3.53 0.00 -0.15 0.00 -1.32 -0.11 -4.66 115.64 105.87 1rwa s THR 478 Ca 0.05 -1.61 -0.27 0.00 -1.21 0.00 0.00 61.69 58.64 1rwa s THR 478 Cb -0.02 -2.38 0.07 0.00 -1.51 0.00 0.00 72.50 68.66 1rwa s THR 478 CO -0.08 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.01 1rwa s ALA 479 N -3.83 -1.70 -0.11 11.08 0.00 -1.26 -0.77 121.76 125.17 1rwa s ALA 479 Ca 0.29 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 1rwa s ALA 479 Cb 0.01 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1rwa s ALA 479 CO 0.13 -0.34 -0.06 -1.17 0.00 0.00 0.00 175.76 174.32 1rwa s LEU 480 N -0.43 1.08 0.00 0.00 2.96 -0.24 -4.75 118.68 117.30 1rwa s LEU 480 Ca -0.06 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1rwa s LEU 480 Cb -0.03 -0.75 0.00 0.00 0.50 0.00 0.00 46.19 45.91 1rwa s LEU 480 CO 0.05 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.55 1rwa n GLY 481 N 4.99 3.41 0.00 7.98 0.00 -1.26 -1.75 105.19 118.56 1rwa n GLY 481 Ca -0.11 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1rwa n GLY 481 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rwa n GLU 482 N 14.00 0.39 -5.00 1.61 1.02 -1.26 -4.72 120.64 126.68 1rwa n GLU 482 Ca 0.00 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1rwa n GLU 482 Cb 0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.76 1rwa n GLU 482 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rwa s VAL 483 N -2.57 1.69 0.11 2.62 1.01 -0.71 -3.16 120.40 119.39 1rwa s VAL 483 Ca 0.26 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1rwa s VAL 483 Cb 0.18 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1rwa s VAL 483 CO 0.42 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.92 1rwa s ALA 484 N 0.18 3.02 -0.15 5.51 0.00 -0.16 -1.08 121.76 129.08 1rwa s ALA 484 Ca -0.10 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1rwa s ALA 484 Cb -0.14 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1rwa s ALA 484 CO 0.05 0.63 -0.19 0.00 0.00 0.00 0.00 175.76 176.24 1rwa s ALA 485 N -1.29 2.14 -0.04 0.00 0.00 0.05 -1.28 121.76 121.34 1rwa s ALA 485 Ca 0.23 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1rwa s ALA 485 Cb -0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1rwa s ALA 485 CO 0.15 -0.17 -0.18 0.08 0.00 0.00 0.00 175.76 175.63 1rwa s VAL 486 N 1.06 1.48 0.08 0.00 1.01 0.04 -0.93 120.40 123.15 1rwa s VAL 486 Ca -0.02 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1rwa s VAL 486 Cb -0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1rwa s VAL 486 CO -0.06 0.42 -0.13 -0.83 0.00 0.00 0.00 175.10 174.50 1rwa s GLY 487 N -0.05 0.87 -0.08 4.51 0.00 -0.11 -0.59 107.32 111.86 1rwa s GLY 487 Ca -0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 1rwa s GLY 487 CO 0.02 -1.08 0.16 1.62 0.00 0.00 0.00 173.10 173.82 1rwa s GLN 488 N -1.96 0.04 -0.56 2.90 0.74 0.58 -1.27 119.66 120.13 1rwa s GLN 488 Ca -0.00 0.56 -0.26 0.00 0.05 0.00 0.00 55.36 55.70 1rwa s GLN 488 Cb -0.09 -0.26 0.03 0.00 1.10 0.00 0.00 33.01 33.80 1rwa s GLN 488 CO 0.02 -0.30 1.07 -1.58 -0.55 0.00 0.00 175.29 173.96 1rwa s HIS 489 N 2.23 2.71 -0.17 1.67 5.65 -0.55 -1.27 115.29 125.55 1rwa s HIS 489 Ca 0.02 0.26 -0.25 0.00 0.25 0.00 0.00 55.06 55.34 1rwa s HIS 489 Cb -0.12 -4.30 -0.02 0.00 -1.18 0.00 0.00 32.58 26.96 1rwa s HIS 489 CO -0.06 -1.45 0.80 -1.17 -0.65 0.00 0.00 174.74 172.21 1rwa s LEU 490 N 4.46 4.17 -0.22 8.88 2.96 0.35 -4.66 118.68 134.62 1rwa s LEU 490 Ca 0.38 1.12 -0.06 0.00 -0.22 0.00 0.00 54.13 55.35 1rwa s LEU 490 Cb -0.10 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 1rwa s LEU 490 CO 0.23 -0.38 0.04 -0.69 -1.32 0.00 0.00 176.35 174.23 1rwa s VAL 491 N 2.12 4.22 0.55 1.68 1.01 -1.26 -1.60 120.40 127.13 1rwa s VAL 491 Ca 0.37 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 1rwa s VAL 491 Cb -0.16 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1rwa s VAL 491 CO 0.12 0.39 1.10 -0.83 0.00 0.00 0.00 175.10 175.88 1rwa s GLY 492 N 1.22 2.51 0.83 4.51 0.00 -0.16 -4.88 107.32 111.34 1rwa s GLY 492 Ca 0.04 0.71 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 1rwa s GLY 492 CO 0.02 1.05 1.10 2.56 0.00 0.00 0.00 173.10 177.84 1rwa s PRO 493 N -3.43 1.84 -0.86 2.90 0.04 -1.26 -4.17 135.00 130.05 1rwa s PRO 493 Ca 0.70 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1rwa s PRO 493 Cb -0.21 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1rwa s PRO 493 CO 0.28 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.94 1rwa n GLY 494 N -1.94 0.97 2.38 0.56 0.00 -1.25 -3.94 105.19 101.97 1rwa n GLY 494 Ca 0.07 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 1rwa n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwa n ARG 495 N -2.72 -1.28 0.23 1.61 1.74 -1.26 -4.88 116.66 110.11 1rwa n ARG 495 Ca -0.08 0.92 0.12 0.00 -0.77 0.00 0.00 57.85 58.04 1rwa n ARG 495 Cb 0.28 -5.27 0.34 0.00 -1.02 0.00 0.00 32.46 26.79 1rwa n ARG 495 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1rwa h THR 496 N 0.00 0.18 0.00 0.55 1.35 -1.79 -3.47 112.91 109.73 1rwa h THR 496 Ca -0.38 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1rwa h THR 496 Cb 1.22 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1rwa h THR 496 CO 0.48 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1rwa n GLY 497 N 0.69 0.55 3.73 5.82 0.00 -1.26 -1.98 105.19 112.74 1rwa n GLY 497 Ca 0.02 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1rwa n GLY 497 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rwa s LEU 498 N 0.00 4.36 0.01 0.99 2.96 -1.26 -3.79 118.68 121.95 1rwa s LEU 498 Ca 0.00 2.81 0.03 0.00 -0.22 0.00 0.00 54.13 56.75 1rwa s LEU 498 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1rwa s LEU 498 CO 0.00 -0.90 -0.10 0.28 -1.32 0.00 0.00 176.35 174.31 1rwa s THR 499 N 0.77 0.77 -0.06 3.68 -1.32 0.03 -0.99 115.64 118.53 1rwa s THR 499 Ca 0.69 -0.61 -0.22 0.00 -1.21 0.00 0.00 61.69 60.35 1rwa s THR 499 Cb -0.47 -0.69 0.05 0.00 -1.51 0.00 0.00 72.50 69.88 1rwa s THR 499 CO 0.37 0.08 0.49 0.00 -2.21 0.00 0.00 174.62 173.35 1rwa s ALA 500 N -0.50 -1.26 -0.37 11.08 0.00 -0.62 -1.97 121.76 128.12 1rwa s ALA 500 Ca 0.01 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 52.82 1rwa s ALA 500 Cb -0.05 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.02 1rwa s ALA 500 CO 0.00 -0.30 0.15 1.03 0.00 0.00 0.00 175.76 176.64 1rwa s ARG 501 N -1.01 2.49 -0.14 0.00 0.52 -0.33 -0.50 118.95 119.99 1rwa s ARG 501 Ca -0.10 -1.38 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1rwa s ARG 501 Cb -0.03 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1rwa s ARG 501 CO 0.06 -0.81 -0.06 0.15 0.02 0.00 0.00 175.30 174.65 1rwa s LYS 502 N 1.35 3.50 0.08 3.54 1.02 -0.40 -0.92 119.74 127.91 1rwa s LYS 502 Ca 0.01 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.47 1rwa s LYS 502 Cb -0.21 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1rwa s LYS 502 CO 0.01 0.29 -0.10 -1.12 -0.92 0.00 0.00 175.35 173.51 1rwa s SER 503 N 0.22 1.35 -0.04 2.83 0.01 0.22 -0.31 113.70 117.99 1rwa s SER 503 Ca -0.04 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 56.49 1rwa s SER 503 Cb -0.14 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1rwa s SER 503 CO 0.03 -0.25 -0.09 0.26 0.41 0.00 0.00 173.24 173.61 1rwa s TRP 504 N -2.21 1.05 -0.25 2.43 0.51 0.24 -1.32 118.94 119.39 1rwa s TRP 504 Ca 0.02 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 53.72 1rwa s TRP 504 Cb -0.04 -0.78 0.06 0.00 -0.81 0.00 0.00 33.47 31.90 1rwa s TRP 504 CO -0.00 -0.15 -0.08 -0.06 -0.51 0.00 0.00 176.95 176.15 1rwa s PHE 505 N 0.40 2.91 -0.17 -1.98 0.40 0.16 -0.78 117.98 118.92 1rwa s PHE 505 Ca -0.07 -2.11 0.00 0.00 -0.60 0.00 0.00 56.93 54.15 1rwa s PHE 505 Cb -0.11 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1rwa s PHE 505 CO 0.01 -0.84 -0.17 0.08 0.70 0.00 0.00 175.22 175.01 1rwa s VAL 506 N 1.22 2.46 0.00 -0.44 1.01 -0.41 -0.68 120.40 123.56 1rwa s VAL 506 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1rwa s VAL 506 Cb -0.19 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1rwa s VAL 506 CO -0.06 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 174.02 1rwa n SER 507 N 4.34 0.37 0.07 3.32 3.41 -0.30 -0.99 113.62 123.84 1rwa n SER 507 Ca -0.20 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.07 1rwa n SER 507 Cb 0.51 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.91 1rwa n SER 507 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rwa n GLY 508 N 5.00 -1.34 0.60 5.00 0.00 -1.19 -4.37 105.19 108.89 1rwa n GLY 508 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rwa n GLY 508 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rwa n ASP 509 N -1.92 1.24 -4.38 1.61 5.68 -1.26 -4.37 116.55 113.16 1rwa n ASP 509 Ca 0.04 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.04 1rwa n ASP 509 Cb 0.28 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.13 1rwa n ASP 509 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1rwa s VAL 510 N -1.72 2.21 -0.18 2.12 -7.23 -1.26 -4.36 120.40 109.98 1rwa s VAL 510 Ca 0.00 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1rwa s VAL 510 Cb 0.00 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1rwa s VAL 510 CO 0.00 0.10 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.87 1rwa s THR 511 N -1.04 2.73 -0.19 5.32 2.01 -0.41 -1.15 115.64 122.91 1rwa s THR 511 Ca 0.13 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 1rwa s THR 511 Cb -0.10 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1rwa s THR 511 CO 0.06 0.50 0.09 -0.69 -0.69 0.00 0.00 174.62 173.88 1rwa s VAL 512 N 1.11 5.00 -0.21 3.82 1.01 0.14 -0.68 120.40 130.60 1rwa s VAL 512 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1rwa s VAL 512 Cb -0.14 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1rwa s VAL 512 CO -0.04 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.37 1rwa s LEU 514 N 1.32 2.37 0.01 0.00 1.43 -0.43 -1.30 118.68 122.08 1rwa s LEU 514 Ca 0.03 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1rwa s LEU 514 Cb -0.14 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1rwa s LEU 514 CO -0.09 0.26 -0.04 -0.83 0.23 0.00 0.00 176.35 175.88 1rwa s GLY 515 N -1.30 0.22 0.16 -3.19 0.00 -0.03 -0.61 107.32 102.57 1rwa s GLY 515 Ca 0.13 -0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 1rwa s GLY 515 CO 0.03 -0.32 0.36 0.00 0.00 0.00 0.00 173.10 173.17 1rwa s ALA 516 N -0.52 -0.41 -1.30 3.20 0.00 -0.10 -1.33 121.76 121.31 1rwa s ALA 516 Ca -0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 1rwa s ALA 516 Cb -0.04 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1rwa s ALA 516 CO -0.00 -0.68 0.51 -3.47 0.00 0.00 0.00 175.76 172.12 1rwa n ASP 517 N -0.23 -5.39 -4.69 0.00 2.03 -0.64 -1.18 116.55 106.44 1rwa n ASP 517 Ca -0.10 -0.24 -0.40 0.00 0.52 0.00 0.00 54.79 54.57 1rwa n ASP 517 Cb 0.63 -4.23 -0.04 0.00 -0.72 0.00 0.00 41.12 36.76 1rwa n ASP 517 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rwa s ILE 518 N -3.07 4.97 0.25 5.18 1.01 -0.44 -4.33 121.20 124.77 1rwa s ILE 518 Ca 0.25 1.52 -0.16 0.00 0.00 0.00 0.00 60.65 62.27 1rwa s ILE 518 Cb -0.11 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1rwa s ILE 518 CO 0.31 0.15 0.55 -0.94 0.00 0.00 0.00 174.94 175.02 1rwa s SER 519 N 0.98 -0.16 0.20 3.58 1.04 -0.83 -0.79 113.70 117.73 1rwa s SER 519 Ca 0.38 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 1rwa s SER 519 Cb -0.17 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1rwa s SER 519 CO 0.16 -1.19 0.35 0.28 0.98 0.00 0.00 173.24 173.82 1rwa s THR 520 N -3.97 0.03 -1.75 2.02 -1.32 -1.26 -0.79 115.64 108.61 1rwa s THR 520 Ca 0.17 -1.43 0.16 0.00 -1.21 0.00 0.00 61.69 59.38 1rwa s THR 520 Cb -0.02 -2.04 0.06 0.00 -1.51 0.00 0.00 72.50 68.99 1rwa s THR 520 CO 0.07 -0.14 0.93 0.00 -2.21 0.00 0.00 174.62 173.27 1rwa n ALA 521 N -0.29 2.82 0.18 11.08 0.00 -0.84 -4.66 120.51 128.80 1rwa n ALA 521 Ca -0.04 -0.58 0.09 0.00 0.00 0.00 0.00 53.44 52.91 1rwa n ALA 521 Cb 0.63 -0.55 0.10 0.00 0.00 0.00 0.00 19.45 19.62 1rwa n ALA 521 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rwa h SER 522 N 2.48 0.00 0.00 0.00 4.64 -1.82 -3.48 113.55 115.38 1rwa h SER 522 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rwa h SER 522 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1rwa h SER 522 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1rwa n GLY 523 N 1.15 1.54 3.91 -0.77 0.00 -1.26 -5.04 105.19 104.72 1rwa n GLY 523 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1rwa n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa s ALA 524 N -3.13 3.53 0.64 4.61 0.00 -1.26 -4.69 121.76 121.46 1rwa s ALA 524 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1rwa s ALA 524 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 1rwa s ALA 524 CO 0.00 -0.03 1.17 -1.59 0.00 0.00 0.00 175.76 175.30 1rwa s LYS 525 N -4.12 2.78 -0.05 0.00 -2.85 -1.26 -4.39 119.74 109.85 1rwa s LYS 525 Ca 0.45 1.65 0.05 0.00 -1.00 0.00 0.00 55.97 57.12 1rwa s LYS 525 Cb -0.10 -1.92 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 1rwa s LYS 525 CO 0.36 -1.31 -0.18 0.08 0.10 0.00 0.00 175.35 174.39 1rwa s VAL 526 N -1.94 2.73 0.22 1.79 1.01 -1.04 -1.18 120.40 121.99 1rwa s VAL 526 Ca 0.73 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.97 1rwa s VAL 526 Cb -0.26 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1rwa s VAL 526 CO 0.37 0.58 -0.22 -1.61 0.00 0.00 0.00 175.10 174.23 1rwa s GLU 527 N -0.60 1.54 -0.05 2.72 2.02 -0.03 -0.39 118.70 123.90 1rwa s GLU 527 Ca 0.09 -1.60 0.04 0.00 0.02 0.00 0.00 54.97 53.52 1rwa s GLU 527 Cb -0.11 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.38 1rwa s GLU 527 CO 0.01 0.35 -0.19 0.99 0.02 0.00 0.00 175.26 176.44 1rwa s THR 528 N -2.04 1.60 -0.44 3.63 2.01 -0.40 -0.48 115.64 119.54 1rwa s THR 528 Ca 0.23 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 1rwa s THR 528 Cb -0.06 -1.38 0.04 0.00 0.01 0.00 0.00 72.50 71.11 1rwa s THR 528 CO 0.11 0.46 0.36 -0.63 -0.69 0.00 0.00 174.62 174.23 1rwa s ILE 529 N 0.09 5.22 0.09 1.82 -1.09 -0.15 -0.71 121.20 126.48 1rwa s ILE 529 Ca -0.07 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.36 1rwa s ILE 529 Cb -0.13 -4.03 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 1rwa s ILE 529 CO 0.03 -0.45 1.57 0.58 -1.23 0.00 0.00 174.94 175.44 1rwa h VAL 530 N 5.70 1.22 -2.73 2.92 2.07 -1.16 0.13 116.25 124.40 1rwa h VAL 530 Ca -0.28 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1rwa h VAL 530 Cb 1.11 1.24 -0.14 0.00 -1.52 0.00 0.00 31.29 31.98 1rwa h VAL 530 CO 0.81 0.23 0.17 -0.62 0.02 0.00 0.00 177.57 178.18 1rwa s ASP 531 N -5.81 -0.56 -0.28 0.57 -1.08 -0.89 -4.37 116.67 104.26 1rwa s ASP 531 Ca -0.14 0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 52.07 1rwa s ASP 531 Cb 0.07 0.56 0.12 0.00 -1.46 0.00 0.00 42.92 42.22 1rwa s ASP 531 CO 0.73 -0.84 0.22 -2.28 0.52 0.00 0.00 175.17 173.52 1rwa s HIS 532 N -2.92 -0.13 -0.11 -5.34 5.65 -1.25 -0.86 115.29 110.32 1rwa s HIS 532 Ca -0.03 -0.39 0.01 0.00 0.25 0.00 0.00 55.06 54.90 1rwa s HIS 532 Cb -0.01 -0.62 0.02 0.00 -1.18 0.00 0.00 32.58 30.79 1rwa s HIS 532 CO -0.06 -0.84 -0.12 0.50 -0.65 0.00 0.00 174.74 173.57 1rwa s ARG 533 N 2.25 1.95 -0.04 2.88 3.52 -0.20 -4.52 118.95 124.80 1rwa s ARG 533 Ca 0.09 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 54.94 1rwa s ARG 533 Cb -0.15 -1.77 -0.06 0.00 -1.56 0.00 0.00 34.95 31.41 1rwa s ARG 533 CO -0.31 -0.14 1.67 1.21 -0.81 0.00 0.00 175.30 176.91 1rwa s ASN 534 N 1.25 6.65 0.00 -2.12 3.84 -1.26 -1.25 114.94 122.05 1rwa s ASN 534 Ca -0.02 2.28 0.24 0.00 0.21 0.00 0.00 52.86 55.57 1rwa s ASN 534 Cb -0.14 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.30 1rwa s ASN 534 CO -0.05 -0.93 1.30 0.18 -2.79 0.00 0.00 177.10 174.82 1rwa n LEU 535 N 7.00 2.72 0.00 3.21 4.77 0.95 -4.95 117.00 130.71 1rwa n LEU 535 Ca 0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1rwa n LEU 535 Cb 0.42 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1rwa n LEU 535 CO 0.63 0.46 0.00 1.41 -1.33 0.00 0.00 177.39 178.55 1rwa n HIS 536 N 1.07 0.00 -0.61 -1.77 8.25 -1.20 -0.73 115.22 120.23 1rwa n HIS 536 Ca 0.14 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.69 1rwa n HIS 536 Cb 0.56 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.98 1rwa n HIS 536 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1rwa n GLN 537 N 13.23 3.51 -2.03 -0.41 1.13 -1.26 -1.17 117.38 130.37 1rwa n GLN 537 Ca 0.00 -2.76 -0.29 0.00 -1.94 0.00 0.00 57.00 52.00 1rwa n GLN 537 Cb 0.00 -1.80 0.04 0.00 0.11 0.00 0.00 30.24 28.60 1rwa n GLN 537 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1rwa s GLY 538 N -1.07 1.62 -0.38 1.08 0.00 0.09 -4.99 107.32 103.68 1rwa s GLY 538 Ca 0.46 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.78 1rwa s GLY 538 CO 0.21 -0.10 1.37 -1.14 0.00 0.00 0.00 173.10 173.44 1rwa n SER 539 N -2.90 5.52 -4.66 1.64 3.41 -1.26 -4.87 113.62 110.50 1rwa n SER 539 Ca 0.06 -3.76 -0.50 0.00 -0.26 0.00 0.00 58.87 54.42 1rwa n SER 539 Cb 0.57 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1rwa n SER 539 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rwa n ASN 540 N -0.74 2.72 -4.76 4.04 4.13 -1.26 -4.87 115.26 114.52 1rwa n ASN 540 Ca 0.48 1.07 -0.41 0.00 1.68 0.00 0.00 54.58 57.40 1rwa n ASN 540 Cb 0.88 -1.32 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 1rwa n ASN 540 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1rwa s THR 541 N 1.91 3.18 -0.41 3.41 2.01 -1.26 -4.74 115.64 119.74 1rwa s THR 541 Ca 0.86 1.13 -0.12 0.00 0.31 0.00 0.00 61.69 63.87 1rwa s THR 541 Cb -0.80 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.03 1rwa s THR 541 CO 0.47 0.24 0.26 -0.76 -0.69 0.00 0.00 174.62 174.15 1rwa s LEU 542 N -1.23 5.02 -0.08 4.42 1.43 -1.26 -1.01 118.68 125.97 1rwa s LEU 542 Ca 0.49 -1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1rwa s LEU 542 Cb -0.35 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1rwa s LEU 542 CO 0.44 -0.47 0.17 -0.89 0.23 0.00 0.00 176.35 175.83 1rwa s THR 543 N 1.55 5.45 0.35 5.49 2.01 0.24 -1.13 115.64 129.61 1rwa s THR 543 Ca 0.03 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1rwa s THR 543 Cb -0.21 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1rwa s THR 543 CO 0.06 0.53 0.18 0.42 -0.69 0.00 0.00 174.62 175.12 1rwa s THR 544 N -1.12 0.36 0.34 -0.82 -4.23 -0.14 -0.65 115.64 109.37 1rwa s THR 544 Ca 0.19 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1rwa s THR 544 Cb -0.12 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.54 1rwa s THR 544 CO 0.09 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.16 1rwa h ALA 545 N 2.03 1.54 -0.00 3.99 0.00 -1.94 -2.85 119.26 122.02 1rwa h ALA 545 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rwa h ALA 545 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rwa h ALA 545 CO 0.50 0.41 -0.20 0.00 0.00 0.00 0.00 179.25 179.96 1rwa n ALA 546 N -2.43 2.91 0.00 0.00 0.00 -1.26 -5.03 120.51 114.70 1rwa n ALA 546 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1rwa n ALA 546 Cb 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1rwa n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwa n GLY 547 N 1.38 0.82 3.39 0.00 0.00 -1.08 -5.08 105.19 104.62 1rwa n GLY 547 Ca 0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1rwa n GLY 547 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rwa s THR 548 N 0.00 1.41 0.07 2.61 -4.23 -1.26 -0.97 115.64 113.27 1rwa s THR 548 Ca 0.00 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1rwa s THR 548 Cb 0.00 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1rwa s THR 548 CO 0.00 -0.32 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.19 1rwa s ILE 549 N -3.17 0.50 -1.34 2.99 2.07 -0.28 -4.85 121.20 117.13 1rwa s ILE 549 Ca 0.29 -1.70 -0.06 0.00 -1.41 0.00 0.00 60.65 57.77 1rwa s ILE 549 Cb 0.04 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.28 1rwa s ILE 549 CO 0.10 -0.80 1.01 0.00 -1.91 0.00 0.00 174.94 173.34 1rwa n ALA 550 N 0.35 -1.62 0.21 1.50 0.00 -1.26 -4.35 120.51 115.33 1rwa n ALA 550 Ca -0.15 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1rwa n ALA 550 Cb 0.59 -3.86 0.30 0.00 0.00 0.00 0.00 19.45 16.48 1rwa n ALA 550 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rwa h GLY 551 N -2.22 0.00 -7.47 0.00 0.00 -1.90 -3.40 103.07 88.07 1rwa h GLY 551 Ca -0.58 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.08 1rwa h GLY 551 CO 0.57 0.00 -0.58 -1.59 0.00 0.00 0.00 176.54 174.93 1rwa s THR 552 N -3.35 4.41 0.26 4.70 2.01 -1.26 -5.06 115.64 117.34 1rwa s THR 552 Ca 0.03 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.29 1rwa s THR 552 Cb 0.08 -3.22 -0.12 0.00 0.01 0.00 0.00 72.50 69.24 1rwa s THR 552 CO 0.66 0.12 1.53 0.00 -0.69 0.00 0.00 174.62 176.24 1rwa n ALA 553 N 4.95 1.92 -0.13 7.40 0.00 -1.26 -2.33 120.51 131.05 1rwa n ALA 553 Ca -0.14 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1rwa n ALA 553 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1rwa n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwa n GLY 554 N 2.37 1.34 3.15 0.00 0.00 0.28 -4.99 105.19 107.35 1rwa n GLY 554 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1rwa n GLY 554 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwa s THR 555 N -2.65 3.30 0.42 2.61 2.01 -0.98 -5.04 115.64 115.31 1rwa s THR 555 Ca 0.00 -1.79 -0.25 0.00 0.31 0.00 0.00 61.69 59.96 1rwa s THR 555 Cb 0.00 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 1rwa s THR 555 CO 0.00 -0.50 1.26 0.54 -0.69 0.00 0.00 174.62 175.23 1rwa s VAL 556 N 1.20 2.74 0.09 3.82 0.11 -1.26 -4.73 120.40 122.38 1rwa s VAL 556 Ca 0.04 0.63 0.05 0.00 -2.93 0.00 0.00 61.98 59.77 1rwa s VAL 556 Cb -0.22 -3.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.24 1rwa s VAL 556 CO -0.03 0.07 -0.12 -1.61 -3.33 0.00 0.00 175.10 170.08 1rwa s GLU 557 N -2.36 0.87 -0.13 1.54 2.02 -0.32 -4.95 118.70 115.36 1rwa s GLU 557 Ca 0.59 -1.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.36 1rwa s GLU 557 Cb -0.36 -0.70 -0.05 0.00 0.10 0.00 0.00 34.13 33.13 1rwa s GLU 557 CO 0.45 0.13 0.23 0.08 0.02 0.00 0.00 175.26 176.17 1rwa s VAL 558 N -2.01 5.35 0.48 2.63 1.01 -1.26 -0.16 120.40 126.43 1rwa s VAL 558 Ca 0.04 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1rwa s VAL 558 Cb -0.06 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1rwa s VAL 558 CO 0.01 0.49 1.21 -0.22 0.00 0.00 0.00 175.10 176.59 1rwa s LEU 559 N -0.21 3.97 0.00 3.92 2.96 -0.20 -4.99 118.68 124.12 1rwa s LEU 559 Ca 0.15 2.40 -0.09 0.00 -0.22 0.00 0.00 54.13 56.37 1rwa s LEU 559 Cb -0.13 -4.26 0.14 0.00 0.50 0.00 0.00 46.19 42.45 1rwa s LEU 559 CO 0.04 -1.07 0.33 0.61 -1.32 0.00 0.00 176.35 174.93 1rwa n GLY 560 N 0.50 -3.22 0.18 7.98 0.00 -1.26 -4.71 105.19 104.66 1rwa n GLY 560 Ca 0.08 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.19 1rwa n GLY 560 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rwa n ASP 561 N -3.37 0.69 -0.05 1.61 8.00 -1.26 -3.23 116.55 118.94 1rwa n ASP 561 Ca 0.05 -0.77 0.11 0.00 0.71 0.00 0.00 54.79 54.89 1rwa n ASP 561 Cb 0.23 -0.01 0.50 0.00 -0.02 0.00 0.00 41.12 41.82 1rwa n ASP 561 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1rwa h GLY 562 N 4.95 0.53 0.00 0.44 0.00 -2.00 -3.47 103.07 103.52 1rwa h GLY 562 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1rwa h GLY 562 CO 0.00 0.11 0.00 0.54 0.00 0.00 0.00 176.54 177.19 1rwa n ARG 563 N -4.47 -1.02 -4.26 4.80 1.74 -1.20 -4.97 116.66 107.28 1rwa n ARG 563 Ca 0.08 0.26 -0.19 0.00 -0.77 0.00 0.00 57.85 57.22 1rwa n ARG 563 Cb 0.31 -4.05 -0.11 0.00 -1.02 0.00 0.00 32.46 27.59 1rwa n ARG 563 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1rwa s TRP 564 N -1.51 1.52 -0.07 -1.55 1.48 -1.26 -0.39 118.94 117.15 1rwa s TRP 564 Ca 0.00 -0.51 -0.06 0.00 -1.06 0.00 0.00 56.10 54.47 1rwa s TRP 564 Cb 0.00 -0.79 0.02 0.00 -1.16 0.00 0.00 33.47 31.54 1rwa s TRP 564 CO 0.00 0.18 0.19 0.54 -4.06 0.00 0.00 176.95 173.80 1rwa s VAL 565 N -1.93 -0.01 -0.09 -0.66 0.11 -0.38 -4.36 120.40 113.07 1rwa s VAL 565 Ca 0.09 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1rwa s VAL 565 Cb -0.06 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1rwa s VAL 565 CO 0.04 0.02 -0.17 -2.28 -3.33 0.00 0.00 175.10 169.38 1rwa s HIS 566 N 0.41 2.68 -0.27 1.54 5.04 0.18 -0.63 115.29 124.23 1rwa s HIS 566 Ca -0.03 -0.52 -0.08 0.00 -1.54 0.00 0.00 55.06 52.90 1rwa s HIS 566 Cb -0.04 -1.71 -0.02 0.00 0.04 0.00 0.00 32.58 30.85 1rwa s HIS 566 CO -0.02 -0.09 0.09 -1.17 -2.34 0.00 0.00 174.74 171.21 1rwa s LEU 567 N -0.12 3.66 0.17 8.88 2.96 0.18 -0.59 118.68 133.82 1rwa s LEU 567 Ca -0.02 -0.37 -0.34 0.00 -0.22 0.00 0.00 54.13 53.18 1rwa s LEU 567 Cb -0.14 -1.93 -0.14 0.00 0.50 0.00 0.00 46.19 44.48 1rwa s LEU 567 CO 0.04 -0.10 1.49 1.21 -1.32 0.00 0.00 176.35 177.67 1rwa n GLU 568 N 4.93 1.95 -0.14 1.98 2.13 -0.18 -0.99 120.64 130.31 1rwa n GLU 568 Ca -0.15 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1rwa n GLU 568 Cb 0.50 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1rwa n GLU 568 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rwa n GLY 569 N 2.97 1.97 1.10 8.31 0.00 -1.26 -4.72 105.19 113.56 1rwa n GLY 569 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1rwa n GLY 569 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rwa n PHE 570 N -2.00 -0.13 -1.38 1.61 7.35 -0.16 -4.90 117.46 117.84 1rwa n PHE 570 Ca 0.00 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1rwa n PHE 570 Cb 0.00 0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.87 1rwa n PHE 570 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rwa n GLY 571 N 3.37 0.44 3.54 7.13 0.00 -0.83 -0.18 105.19 118.66 1rwa n GLY 571 Ca 0.00 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1rwa n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rwa s GLY 572 N 0.00 1.73 0.04 -0.02 0.00 -0.67 -0.65 107.32 107.75 1rwa s GLY 572 Ca 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.22 1rwa s GLY 572 CO 0.00 -1.57 -0.14 -0.19 0.00 0.00 0.00 173.10 171.20 1rwa s TYR 573 N -1.78 1.19 -0.05 1.90 1.51 0.20 -0.20 117.35 120.12 1rwa s TYR 573 Ca 0.25 -0.35 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1rwa s TYR 573 Cb -0.08 -0.71 0.01 0.00 -0.11 0.00 0.00 41.96 41.07 1rwa s TYR 573 CO 0.14 0.03 0.18 0.00 -1.11 0.00 0.00 175.55 174.79 1rwa s ALA 574 N -0.84 -0.43 0.04 3.71 0.00 -0.66 -1.25 121.76 122.32 1rwa s ALA 574 Ca 0.01 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 1rwa s ALA 574 Cb -0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1rwa s ALA 574 CO 0.01 -0.12 0.64 -1.64 0.00 0.00 0.00 175.76 174.65 1rwa s MET 575 N -0.32 4.36 -0.01 0.00 -1.94 0.48 -0.54 119.30 121.32 1rwa s MET 575 Ca -0.04 0.85 0.13 0.00 -1.71 0.00 0.00 55.69 54.92 1rwa s MET 575 Cb -0.03 -3.32 0.39 0.00 2.01 0.00 0.00 34.83 33.88 1rwa s MET 575 CO 0.01 0.43 1.32 1.28 -0.01 0.00 0.00 175.02 178.05 1rwa n LEU 576 N 2.41 3.20 0.00 -0.03 4.77 0.17 -4.93 117.00 122.58 1rwa n LEU 576 Ca -0.07 -2.04 -0.01 0.00 -0.03 0.00 0.00 56.01 53.87 1rwa n LEU 576 Cb 0.51 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1rwa n LEU 576 CO 0.44 0.78 0.00 -0.90 -1.33 0.00 0.00 177.39 176.38 1rwa n ASP 577 N 0.72 -0.04 -1.35 -1.43 5.68 -1.22 -4.88 116.55 114.04 1rwa n ASP 577 Ca 0.15 -1.09 0.05 0.00 -0.50 0.00 0.00 54.79 53.40 1rwa n ASP 577 Cb 0.49 0.09 0.26 0.00 -1.14 0.00 0.00 41.12 40.82 1rwa n ASP 577 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1rwa n ASP 578 N -2.57 3.93 -4.74 -1.12 5.68 -1.26 -4.95 116.55 111.52 1rwa n ASP 578 Ca 0.00 -2.52 -0.41 0.00 -0.50 0.00 0.00 54.79 51.36 1rwa n ASP 578 Cb 0.03 -0.58 -0.03 0.00 -1.14 0.00 0.00 41.12 39.40 1rwa n ASP 578 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1rwa s SER 579 N -0.61 6.90 0.39 -1.12 0.01 -1.26 -4.96 113.70 113.06 1rwa s SER 579 Ca 0.36 2.40 -0.27 0.00 1.31 0.00 0.00 55.95 59.75 1rwa s SER 579 Cb 0.26 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.78 1rwa s SER 579 CO 0.13 -0.52 1.45 -2.65 0.41 0.00 0.00 173.24 172.06 1rwa n PRO 580 N 2.58 2.51 -3.90 12.44 -0.02 -1.26 -4.99 135.00 142.36 1rwa n PRO 580 Ca 0.06 0.88 -0.36 0.00 -2.02 0.00 0.00 63.50 62.07 1rwa n PRO 580 Cb 0.43 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.16 1rwa n PRO 580 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rwa s LEU 581 N -2.10 3.25 -0.12 2.45 2.96 -1.26 -4.45 118.68 119.41 1rwa s LEU 581 Ca 0.55 -0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 1rwa s LEU 581 Cb -0.48 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1rwa s LEU 581 CO 0.62 0.01 0.42 -1.00 -1.32 0.00 0.00 176.35 175.07 1rwa s HIS 582 N 1.36 3.52 -0.12 5.38 3.76 0.21 -1.04 115.29 128.36 1rwa s HIS 582 Ca 0.05 0.82 0.01 0.00 -0.15 0.00 0.00 55.06 55.78 1rwa s HIS 582 Cb -0.15 -2.46 0.02 0.00 1.11 0.00 0.00 32.58 31.10 1rwa s HIS 582 CO 0.01 0.25 -0.15 0.08 -0.85 0.00 0.00 174.74 174.08 1rwa s VAL 583 N 0.37 1.55 -0.09 -0.90 1.01 0.77 -1.00 120.40 122.11 1rwa s VAL 583 Ca 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1rwa s VAL 583 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1rwa s VAL 583 CO 0.09 0.45 -0.08 -0.22 0.00 0.00 0.00 175.10 175.34 1rwa s LEU 584 N 1.15 1.29 -0.15 3.92 2.96 0.46 -1.18 118.68 127.13 1rwa s LEU 584 Ca -0.03 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 1rwa s LEU 584 Cb -0.14 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1rwa s LEU 584 CO -0.05 -0.08 0.54 -0.60 -1.32 0.00 0.00 176.35 174.85 1rwa s ARG 585 N 1.39 4.28 0.01 1.98 3.52 -1.26 -0.35 118.95 128.52 1rwa s ARG 585 Ca -0.01 0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 1rwa s ARG 585 Cb -0.13 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1rwa s ARG 585 CO -0.04 -0.02 0.03 -1.83 -0.81 0.00 0.00 175.30 172.63 1rwa s GLU 586 N 1.19 0.38 -0.19 5.12 -1.05 -0.24 -0.55 118.70 123.36 1rwa s GLU 586 Ca 0.27 -0.54 -0.06 0.00 -0.15 0.00 0.00 54.97 54.49 1rwa s GLU 586 Cb -0.16 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.65 1rwa s GLU 586 CO 0.11 -0.08 0.03 0.99 0.95 0.00 0.00 175.26 177.26 1rwa s THR 587 N -1.47 4.33 0.17 1.83 2.01 -1.26 -0.58 115.64 120.67 1rwa s THR 587 Ca -0.15 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 61.77 1rwa s THR 587 Cb -0.09 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1rwa s THR 587 CO -0.00 0.44 -0.24 -0.13 -0.69 0.00 0.00 174.62 174.00 1rwa s ARG 588 N 0.70 1.45 0.02 4.92 0.52 0.26 -4.97 118.95 121.85 1rwa s ARG 588 Ca 0.01 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1rwa s ARG 588 Cb -0.14 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 1rwa s ARG 588 CO 0.02 0.40 -0.04 -1.54 0.02 0.00 0.00 175.30 174.16 1rwa s SER 589 N -2.49 0.33 -0.23 0.23 1.04 -1.26 -0.58 113.70 110.74 1rwa s SER 589 Ca 0.18 -0.48 -0.36 0.00 0.48 0.00 0.00 55.95 55.77 1rwa s SER 589 Cb -0.08 0.08 0.15 0.00 0.10 0.00 0.00 66.02 66.27 1rwa s SER 589 CO 0.08 -0.27 1.28 -0.83 0.98 0.00 0.00 173.24 174.49 1rwa s GLY 590 N -1.40 -0.24 0.22 7.32 0.00 -0.33 -4.84 107.32 108.05 1rwa s GLY 590 Ca -0.14 1.80 0.06 0.00 0.00 0.00 0.00 44.72 46.43 1rwa s GLY 590 CO -0.01 0.61 0.22 -1.35 0.00 0.00 0.00 173.10 172.58 1rwa s SER 591 N -2.04 5.75 0.50 1.64 1.04 -1.26 -0.62 113.70 118.71 1rwa s SER 591 Ca 0.10 -0.13 0.23 0.00 0.48 0.00 0.00 55.95 56.64 1rwa s SER 591 Cb -0.01 -1.54 1.33 0.00 0.10 0.00 0.00 66.02 65.90 1rwa s SER 591 CO -0.04 -0.01 2.06 -0.50 0.98 0.00 0.00 173.24 175.73 1rwa h TRP 592 N 1.68 0.00 0.00 5.02 4.06 -1.69 -1.35 115.95 123.67 1rwa h TRP 592 Ca -0.49 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.46 1rwa h TRP 592 Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1rwa h TRP 592 CO 0.54 0.13 -0.00 0.66 -3.56 0.00 0.00 178.44 176.21 1rwa h SER 593 N 0.00 0.00 1.43 -3.49 4.64 -1.19 -0.73 113.55 114.21 1rwa h SER 593 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1rwa h SER 593 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rwa h SER 593 CO 0.02 0.00 -0.08 1.23 -0.87 0.00 0.00 176.83 177.13 1rwa h GLY 594 N 0.47 0.00 -0.14 -0.77 0.00 -1.53 -3.30 103.07 97.80 1rwa h GLY 594 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rwa h GLY 594 CO 0.00 0.00 -0.10 3.33 0.00 0.00 0.00 176.54 179.77 1rwa n VAL 595 N -3.15 0.00 -3.68 4.60 0.24 -0.40 -4.98 118.33 110.96 1rwa n VAL 595 Ca 0.02 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.77 1rwa n VAL 595 Cb 0.45 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.76 1rwa n VAL 595 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rwa s ASN 596 N -0.93 -0.62 0.55 -1.34 3.84 -0.50 -2.83 114.94 113.11 1rwa s ASN 596 Ca 0.03 1.06 0.23 0.00 0.21 0.00 0.00 52.86 54.39 1rwa s ASN 596 Cb 0.03 0.96 1.48 0.00 -0.55 0.00 0.00 41.25 43.16 1rwa s ASN 596 CO 0.11 -0.20 2.11 -0.29 -2.79 0.00 0.00 177.10 176.04 1rwa h ILE 597 N 5.24 0.73 -0.01 -5.21 6.09 -1.35 -0.01 117.51 122.99 1rwa h ILE 597 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1rwa h ILE 597 Cb 1.19 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.38 1rwa h ILE 597 CO 0.25 0.00 -0.20 0.59 -3.07 0.00 0.00 178.15 175.72 1rwa n ASN 598 N -4.21 1.07 -4.77 2.19 4.13 -1.26 -4.98 115.26 107.43 1rwa n ASN 598 Ca 0.01 -0.98 -0.34 0.00 1.68 0.00 0.00 54.58 54.95 1rwa n ASN 598 Cb 0.28 0.09 0.03 0.00 -1.54 0.00 0.00 39.78 38.64 1rwa n ASN 598 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1rwa s GLY 599 N -2.40 2.30 0.64 7.41 0.00 -0.02 -4.94 107.32 110.30 1rwa s GLY 599 Ca 0.27 0.63 -0.17 0.00 0.00 0.00 0.00 44.72 45.46 1rwa s GLY 599 CO 0.48 0.98 1.14 -1.35 0.00 0.00 0.00 173.10 174.36 1rwa s SER 600 N -2.34 5.10 0.16 1.64 1.04 -1.26 -3.57 113.70 114.47 1rwa s SER 600 Ca 0.69 2.15 0.26 0.00 0.48 0.00 0.00 55.95 59.53 1rwa s SER 600 Cb -0.22 -2.57 0.92 0.00 0.10 0.00 0.00 66.02 64.25 1rwa s SER 600 CO 0.37 -1.64 1.80 0.00 0.98 0.00 0.00 173.24 174.75 1rwa n ALA 601 N -2.10 2.24 -1.63 5.32 0.00 -1.26 -1.17 120.51 121.90 1rwa n ALA 601 Ca 0.12 -0.03 -0.47 0.00 0.00 0.00 0.00 53.44 53.05 1rwa n ALA 601 Cb 0.51 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1rwa n ALA 601 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rwa n THR 602 N -2.07 0.55 -3.16 0.00 -1.04 -1.26 -4.79 114.28 102.50 1rwa n THR 602 Ca 0.06 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 1rwa n THR 602 Cb 0.39 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.63 1rwa n THR 602 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1rwa s VAL 603 N 0.23 5.07 -0.12 12.58 1.01 -1.26 -4.14 120.40 133.76 1rwa s VAL 603 Ca 0.75 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.82 1rwa s VAL 603 Cb -0.76 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1rwa s VAL 603 CO 0.47 0.18 0.10 -1.10 0.00 0.00 0.00 175.10 174.76 1rwa s GLN 604 N 1.44 3.44 -0.12 2.72 -1.52 0.20 -4.93 119.66 120.90 1rwa s GLN 604 Ca 0.29 -0.22 0.03 0.00 -1.95 0.00 0.00 55.36 53.52 1rwa s GLN 604 Cb -0.16 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 1rwa s GLN 604 CO 0.11 0.68 -0.23 -1.14 -0.25 0.00 0.00 175.29 174.47 1rwa s GLN 605 N -0.78 2.97 0.02 2.91 0.74 -1.26 -1.19 119.66 123.07 1rwa s GLN 605 Ca 0.13 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.70 1rwa s GLN 605 Cb -0.12 -2.32 -0.01 0.00 1.10 0.00 0.00 33.01 31.66 1rwa s GLN 605 CO 0.03 0.09 -0.03 1.03 -0.55 0.00 0.00 175.29 175.85 1rwa s ARG 606 N 0.57 0.28 0.14 1.67 1.81 0.25 -4.91 118.95 118.76 1rwa s ARG 606 Ca -0.14 -0.44 -0.18 0.00 -1.72 0.00 0.00 55.73 53.25 1rwa s ARG 606 Cb -0.17 -0.04 -0.07 0.00 -0.45 0.00 0.00 34.95 34.22 1rwa s ARG 606 CO 0.04 -0.00 0.62 -0.80 -0.68 0.00 0.00 175.30 174.48 1rwa s ASN 607 N -0.99 7.02 0.07 0.23 0.01 -0.32 -0.57 114.94 120.39 1rwa s ASN 607 Ca -0.09 1.28 0.05 0.00 -0.71 0.00 0.00 52.86 53.39 1rwa s ASN 607 Cb -0.07 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1rwa s ASN 607 CO -0.00 0.16 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.25 1rwa s PHE 608 N -1.32 1.20 -0.19 2.20 0.40 0.26 -0.03 117.98 120.49 1rwa s PHE 608 Ca 0.36 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1rwa s PHE 608 Cb -0.18 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1rwa s PHE 608 CO 0.20 0.05 0.06 0.00 0.70 0.00 0.00 175.22 176.23 1rwa s ALA 609 N -1.24 3.33 -0.13 5.36 0.00 -0.38 -1.07 121.76 127.63 1rwa s ALA 609 Ca -0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1rwa s ALA 609 Cb -0.10 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1rwa s ALA 609 CO 0.02 0.06 -0.09 0.99 0.00 0.00 0.00 175.76 176.74 1rwa s THR 610 N 0.60 1.20 -0.13 0.00 2.01 0.52 -1.03 115.64 118.81 1rwa s THR 610 Ca 0.03 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1rwa s THR 610 Cb -0.13 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.18 1rwa s THR 610 CO 0.01 0.34 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.34 1rwa s LEU 611 N 1.63 1.93 0.05 4.42 1.02 -0.04 -0.40 118.68 127.28 1rwa s LEU 611 Ca 0.04 -0.53 -0.14 0.00 0.02 0.00 0.00 54.13 53.53 1rwa s LEU 611 Cb -0.13 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.81 1rwa s LEU 611 CO -0.09 0.04 0.30 -0.72 0.02 0.00 0.00 176.35 175.91 1rwa s TYR 612 N 0.94 -0.10 -0.13 0.29 -0.85 -0.17 -0.56 117.35 116.78 1rwa s TYR 612 Ca -0.06 -0.06 -0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1rwa s TYR 612 Cb -0.15 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 1rwa s TYR 612 CO -0.03 -0.52 0.10 0.08 -1.52 0.00 0.00 175.55 173.66 1rwa s VAL 613 N -2.71 5.16 -0.35 -3.49 1.01 0.12 -0.62 120.40 119.52 1rwa s VAL 613 Ca -0.04 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 1rwa s VAL 613 Cb -0.00 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1rwa s VAL 613 CO -0.04 0.58 0.18 0.21 0.00 0.00 0.00 175.10 176.03 1rwa s ASN 614 N -0.73 5.64 0.00 3.32 3.84 -1.26 -1.27 114.94 124.48 1rwa s ASN 614 Ca 0.13 -0.84 0.25 0.00 0.21 0.00 0.00 52.86 52.60 1rwa s ASN 614 Cb -0.12 -2.01 1.10 0.00 -0.55 0.00 0.00 41.25 39.67 1rwa s ASN 614 CO 0.03 -0.32 1.81 1.41 -2.79 0.00 0.00 177.10 177.24 1rwa n HIS 615 N 4.98 0.00 -1.24 0.43 8.25 0.47 -4.98 115.22 123.13 1rwa n HIS 615 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1rwa n HIS 615 Cb 0.47 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1rwa n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rwa n GLY 616 N 1.06 -2.33 3.79 -1.41 0.00 -1.23 -4.46 105.19 100.60 1rwa n GLY 616 Ca 0.07 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1rwa n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwa s VAL 617 N -0.66 4.41 -1.36 1.61 1.01 -1.26 -2.49 120.40 121.67 1rwa s VAL 617 Ca 0.00 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 1rwa s VAL 617 Cb 0.00 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1rwa s VAL 617 CO 0.00 0.44 0.70 0.61 0.00 0.00 0.00 175.10 176.85 1rwa n GLY 618 N 1.35 -0.31 3.75 4.51 0.00 -1.26 -4.93 105.19 108.30 1rwa n GLY 618 Ca -0.05 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1rwa n GLY 618 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rwa s PRO 619 N -6.17 3.03 -0.24 1.61 0.04 -1.26 -4.99 135.00 127.03 1rwa s PRO 619 Ca 0.11 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1rwa s PRO 619 Cb -0.05 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1rwa s PRO 619 CO 0.83 -1.28 -0.08 0.08 0.04 0.00 0.00 177.00 176.59 1rwa s VAL 620 N -1.30 1.77 -1.39 -0.36 1.01 -1.26 -4.45 120.40 114.42 1rwa s VAL 620 Ca 0.73 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1rwa s VAL 620 Cb -0.41 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1rwa s VAL 620 CO 0.47 -0.05 0.58 0.00 0.00 0.00 0.00 175.10 176.11 1rwa n ALA 621 N 4.59 -1.93 -0.94 5.51 0.00 -1.16 -4.92 120.51 121.66 1rwa n ALA 621 Ca -0.13 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1rwa n ALA 621 Cb 0.44 -1.95 0.15 0.00 0.00 0.00 0.00 19.45 18.09 1rwa n ALA 621 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rwa s GLY 622 N -4.25 1.65 0.16 0.00 0.00 0.03 -4.24 107.32 100.68 1rwa s GLY 622 Ca 0.08 0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.93 1rwa s GLY 622 CO 0.86 0.73 0.43 -1.35 0.00 0.00 0.00 173.10 173.77 1rwa s SER 623 N -3.01 -0.21 0.16 1.64 1.04 -1.26 -1.33 113.70 110.73 1rwa s SER 623 Ca 0.65 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.53 1rwa s SER 623 Cb -0.20 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1rwa s SER 623 CO 0.58 -0.94 0.29 -0.72 0.98 0.00 0.00 173.24 173.43 1rwa s TYR 624 N -3.85 0.32 -0.28 5.02 -0.85 -0.44 -4.95 117.35 112.32 1rwa s TYR 624 Ca 0.07 -0.69 -0.07 0.00 -0.52 0.00 0.00 57.07 55.86 1rwa s TYR 624 Cb 0.01 -0.02 0.14 0.00 0.38 0.00 0.00 41.96 42.47 1rwa s TYR 624 CO -0.07 -0.71 0.58 0.00 -1.52 0.00 0.00 175.55 173.83 1rwa s ALA 625 N -3.94 -1.90 0.27 9.51 0.00 -1.26 -0.85 121.76 123.59 1rwa s ALA 625 Ca 0.15 1.99 -0.10 0.00 0.00 0.00 0.00 51.96 54.00 1rwa s ALA 625 Cb 0.03 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 1rwa s ALA 625 CO -0.02 -1.02 0.47 1.52 0.00 0.00 0.00 175.76 176.71 1rwa s TYR 626 N 2.82 0.53 0.06 0.00 -0.85 -0.42 -0.66 117.35 118.84 1rwa s TYR 626 Ca 0.03 -0.87 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 1rwa s TYR 626 Cb -0.13 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1rwa s TYR 626 CO -0.18 -1.02 -0.05 0.00 -1.52 0.00 0.00 175.55 172.78 1rwa s MET 627 N -3.78 0.65 -0.05 -3.49 0.23 0.29 -0.15 119.30 113.01 1rwa s MET 627 Ca 0.25 -1.16 0.04 0.00 -1.03 0.00 0.00 55.69 53.79 1rwa s MET 627 Cb -0.00 0.03 -0.00 0.00 -1.53 0.00 0.00 34.83 33.32 1rwa s MET 627 CO 0.11 -0.06 -0.18 0.08 -2.03 0.00 0.00 175.02 172.94 1rwa s VAL 628 N -3.39 1.48 -0.60 5.16 1.01 0.15 -1.66 120.40 122.55 1rwa s VAL 628 Ca 0.05 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1rwa s VAL 628 Cb 0.04 -1.27 0.18 0.00 0.00 0.00 0.00 36.38 35.33 1rwa s VAL 628 CO -0.07 0.43 0.47 0.00 0.00 0.00 0.00 175.10 175.92 1rwa n ALA 629 N 3.15 3.26 -1.78 5.51 0.00 0.71 -1.29 120.51 130.07 1rwa n ALA 629 Ca -0.18 -4.06 -0.41 0.00 0.00 0.00 0.00 53.44 48.78 1rwa n ALA 629 Cb 0.53 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 1rwa n ALA 629 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rwa s PRO 630 N -1.05 4.14 0.00 0.00 0.04 -1.26 -1.67 135.00 135.20 1rwa s PRO 630 Ca 0.29 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1rwa s PRO 630 Cb 0.00 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1rwa s PRO 630 CO -0.17 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1rwa n GLY 631 N 1.82 1.86 3.77 0.56 0.00 0.75 -4.93 105.19 109.02 1rwa n GLY 631 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1rwa n GLY 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa s ALA 632 N -3.43 3.49 0.96 4.61 0.00 -0.80 -4.86 121.76 121.74 1rwa s ALA 632 Ca 0.00 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1rwa s ALA 632 Cb 0.00 -3.49 0.16 0.00 0.00 0.00 0.00 23.12 19.79 1rwa s ALA 632 CO 0.00 -0.70 1.11 -1.54 0.00 0.00 0.00 175.76 174.63 1rwa s SER 633 N -0.47 3.02 0.15 0.00 1.04 -1.26 -4.18 113.70 111.99 1rwa s SER 633 Ca 0.50 1.13 -0.18 0.00 0.48 0.00 0.00 55.95 57.88 1rwa s SER 633 Cb -0.40 -1.77 0.04 0.00 0.10 0.00 0.00 66.02 63.99 1rwa s SER 633 CO 0.54 -2.88 1.71 0.58 0.98 0.00 0.00 173.24 174.17 1rwa h VAL 634 N -1.72 0.76 -0.76 5.02 2.07 -1.95 -0.90 116.25 118.77 1rwa h VAL 634 Ca -0.53 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1rwa h VAL 634 Cb 1.33 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1rwa h VAL 634 CO 0.59 0.01 0.41 -0.78 0.02 0.00 0.00 177.57 177.83 1rwa h ASP 635 N 0.07 0.95 -0.59 0.57 1.82 -1.99 -0.53 116.42 116.72 1rwa h ASP 635 Ca 0.15 -0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.64 1rwa h ASP 635 Cb 0.20 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1rwa h ASP 635 CO -0.26 0.78 0.17 -0.07 -1.61 0.00 0.00 179.24 178.25 1rwa h LEU 636 N 1.05 0.87 -0.55 2.28 3.38 -1.86 -2.78 115.31 117.70 1rwa h LEU 636 Ca 0.27 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rwa h LEU 636 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1rwa h LEU 636 CO -0.04 0.86 0.36 0.74 0.09 0.00 0.00 178.44 180.44 1rwa h THR 637 N 0.84 1.12 -0.44 0.22 2.02 -0.69 -0.97 112.91 115.02 1rwa h THR 637 Ca 0.19 -0.25 0.10 0.00 0.77 0.00 0.00 66.41 67.22 1rwa h THR 637 Cb 0.31 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1rwa h THR 637 CO -0.00 0.13 0.30 -0.09 0.37 0.00 0.00 175.52 176.23 1rwa h ARG 638 N 0.72 0.16 -0.00 6.66 2.43 -0.97 -2.36 114.38 121.01 1rwa h ARG 638 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1rwa h ARG 638 Cb -0.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1rwa h ARG 638 CO -0.06 0.10 -0.44 1.63 -1.51 0.00 0.00 179.97 179.70 1rwa n LYS 639 N -4.45 0.07 -0.33 0.20 5.02 -0.42 -4.46 118.16 113.79 1rwa n LYS 639 Ca 0.07 -0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.38 1rwa n LYS 639 Cb 0.40 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.15 1rwa n LYS 639 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rwa h LEU 640 N 0.09 0.91 -0.80 -0.35 3.38 -0.85 -1.85 115.31 115.85 1rwa h LEU 640 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rwa h LEU 640 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rwa h LEU 640 CO 0.00 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.25 1rwa n LEU 641 N -4.54 1.23 -4.81 1.67 4.77 -1.26 -4.64 117.00 109.41 1rwa n LEU 641 Ca 0.16 -0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.33 1rwa n LEU 641 Cb 0.28 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1rwa n LEU 641 CO 0.30 0.22 0.33 -1.61 -1.33 0.00 0.00 177.39 175.31 1rwa s GLU 642 N -1.95 4.22 -0.59 3.23 2.02 -0.70 -4.49 118.70 120.43 1rwa s GLU 642 Ca 0.37 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1rwa s GLU 642 Cb 0.20 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1rwa s GLU 642 CO 0.32 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.53 1rwa n GLY 643 N 1.21 0.77 3.95 -1.39 0.00 -1.26 -3.68 105.19 104.79 1rwa n GLY 643 Ca -0.06 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 1rwa n GLY 643 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rwa n ASN 644 N 1.08 -3.23 -0.03 1.61 5.15 -1.26 -4.88 115.26 113.69 1rwa n ASN 644 Ca -0.06 -0.87 -0.08 0.00 -0.60 0.00 0.00 54.58 52.98 1rwa n ASN 644 Cb 0.21 -3.57 0.10 0.00 -0.53 0.00 0.00 39.78 35.99 1rwa n ASN 644 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1rwa h LYS 645 N -1.90 0.64 -4.08 1.20 1.57 -1.82 -3.41 116.57 108.77 1rwa h LYS 645 Ca -0.60 -0.30 -0.62 0.00 -1.87 0.00 0.00 60.65 57.26 1rwa h LYS 645 Cb 1.37 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.28 1rwa h LYS 645 CO 0.67 0.90 -0.74 0.71 -0.57 0.00 0.00 179.45 180.42 1rwa s TYR 646 N -4.36 2.65 -0.31 -1.35 1.51 -1.26 -1.56 117.35 112.67 1rwa s TYR 646 Ca -0.08 -2.31 -0.11 0.00 -1.01 0.00 0.00 57.07 53.56 1rwa s TYR 646 Cb 0.12 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1rwa s TYR 646 CO 0.83 -0.91 0.18 0.45 -1.11 0.00 0.00 175.55 174.99 1rwa s SER 647 N 1.29 5.73 -0.45 2.29 0.15 -0.18 -4.97 113.70 117.56 1rwa s SER 647 Ca 0.10 -0.42 -0.28 0.00 0.70 0.00 0.00 55.95 56.04 1rwa s SER 647 Cb -0.18 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1rwa s SER 647 CO -0.17 -0.18 1.10 -0.69 1.20 0.00 0.00 173.24 174.49 1rwa s VAL 648 N 1.66 4.29 -0.02 4.45 1.01 -1.26 -0.47 120.40 130.06 1rwa s VAL 648 Ca 0.05 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.15 1rwa s VAL 648 Cb -0.17 -4.55 -0.33 0.00 0.00 0.00 0.00 36.38 31.33 1rwa s VAL 648 CO 0.08 -0.90 0.80 0.40 0.00 0.00 0.00 175.10 175.47 1rwa h ILE 649 N 6.13 1.07 -2.19 2.22 2.04 -1.30 -3.48 117.51 122.00 1rwa h ILE 649 Ca -0.23 -2.59 -0.07 0.00 1.00 0.00 0.00 64.86 62.97 1rwa h ILE 649 Cb 1.06 2.87 -0.20 0.00 -0.74 0.00 0.00 36.82 39.82 1rwa h ILE 649 CO 1.10 0.84 0.09 -0.60 0.00 0.00 0.00 178.15 179.58 1rwa s ARG 650 N -2.59 0.95 -0.48 2.37 3.52 -1.16 -4.62 118.95 116.95 1rwa s ARG 650 Ca -0.13 0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.81 1rwa s ARG 650 Cb 0.05 0.45 0.18 0.00 -1.56 0.00 0.00 34.95 34.07 1rwa s ARG 650 CO 0.89 -0.27 0.59 1.21 -0.81 0.00 0.00 175.30 176.91 1rwa s ASN 651 N -0.99 -0.45 0.02 -2.12 2.47 -1.23 -0.89 114.94 111.75 1rwa s ASN 651 Ca -0.10 -2.14 -0.00 0.00 0.42 0.00 0.00 52.86 51.03 1rwa s ASN 651 Cb -0.02 1.10 0.00 0.00 -1.45 0.00 0.00 41.25 40.89 1rwa s ASN 651 CO 0.08 -0.10 0.03 -0.90 -3.72 0.00 0.00 177.10 172.49 1rwa n ASP 652 N 2.98 -0.08 0.04 -4.21 5.68 -0.59 -4.87 116.55 115.49 1rwa n ASP 652 Ca 0.22 -1.10 0.08 0.00 -0.50 0.00 0.00 54.79 53.49 1rwa n ASP 652 Cb 0.53 0.15 0.35 0.00 -1.14 0.00 0.00 41.12 41.01 1rwa n ASP 652 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rwa n ALA 653 N -2.88 1.63 -0.10 2.12 0.00 -1.26 -2.94 120.51 117.09 1rwa n ALA 653 Ca -0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1rwa n ALA 653 Cb 0.03 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.09 1rwa n ALA 653 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rwa h THR 654 N 0.00 1.00 -2.59 0.00 2.02 -1.95 -3.40 112.91 107.99 1rwa h THR 654 Ca 0.00 -2.20 -0.03 0.00 0.77 0.00 0.00 66.41 64.95 1rwa h THR 654 Cb 0.27 2.35 -0.15 0.00 -1.74 0.00 0.00 68.15 68.88 1rwa h THR 654 CO 0.00 0.36 0.22 0.00 0.37 0.00 0.00 175.52 176.47 1rwa s ALA 655 N -2.36 -1.68 -0.04 6.16 0.00 -1.15 -0.61 121.76 122.08 1rwa s ALA 655 Ca -0.27 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1rwa s ALA 655 Cb 0.05 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1rwa s ALA 655 CO 0.61 -0.61 -0.08 -0.65 0.00 0.00 0.00 175.76 175.03 1rwa s GLN 656 N -2.76 1.11 -0.12 0.00 -0.21 -0.32 -1.55 119.66 115.82 1rwa s GLN 656 Ca -0.03 -0.25 -0.22 0.00 0.02 0.00 0.00 55.36 54.87 1rwa s GLN 656 Cb -0.01 -1.01 0.05 0.00 1.00 0.00 0.00 33.01 33.05 1rwa s GLN 656 CO -0.04 0.01 0.54 0.45 -2.12 0.00 0.00 175.29 174.13 1rwa s SER 657 N 0.60 -0.52 -0.01 5.90 0.15 -0.07 -0.28 113.70 119.48 1rwa s SER 657 Ca -0.10 0.76 0.02 0.00 0.70 0.00 0.00 55.95 57.34 1rwa s SER 657 Cb -0.13 0.77 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1rwa s SER 657 CO 0.01 -0.38 -0.08 -0.69 1.20 0.00 0.00 173.24 173.31 1rwa s VAL 658 N -0.53 0.63 -0.13 4.45 1.01 -0.52 -0.74 120.40 124.57 1rwa s VAL 658 Ca -0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1rwa s VAL 658 Cb -0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1rwa s VAL 658 CO 0.04 0.19 0.01 -0.70 0.00 0.00 0.00 175.10 174.65 1rwa s GLU 659 N 0.01 3.45 -0.40 2.72 2.12 0.38 -0.90 118.70 126.07 1rwa s GLU 659 Ca 0.00 -0.41 -0.17 0.00 0.36 0.00 0.00 54.97 54.76 1rwa s GLU 659 Cb -0.05 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.40 1rwa s GLU 659 CO -0.00 0.47 0.41 -0.06 -0.54 0.00 0.00 175.26 175.54 1rwa s PHE 660 N -0.23 3.18 0.08 5.30 0.40 0.31 -1.01 117.98 126.01 1rwa s PHE 660 Ca 0.06 -0.28 -0.33 0.00 -0.60 0.00 0.00 56.93 55.78 1rwa s PHE 660 Cb -0.12 -2.82 -0.17 0.00 0.51 0.00 0.00 43.02 40.41 1rwa s PHE 660 CO 0.02 -0.62 1.61 -0.22 0.70 0.00 0.00 175.22 176.71 1rwa h LYS 661 N 8.65 -0.89 -0.59 0.44 3.64 -1.54 -1.92 116.57 124.35 1rwa h LYS 661 Ca -0.27 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.08 1rwa h LYS 661 Cb 1.12 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1rwa h LYS 661 CO 0.77 -0.59 0.03 1.15 -2.27 0.00 0.00 179.45 178.53 1rwa h THR 662 N -0.92 1.26 0.00 1.00 2.02 -1.94 -2.29 112.91 112.04 1rwa h THR 662 Ca -0.08 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1rwa h THR 662 Cb 0.74 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1rwa h THR 662 CO 0.09 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.37 1rwa n ALA 663 N -2.46 1.84 -4.08 6.16 0.00 -1.23 -4.91 120.51 115.83 1rwa n ALA 663 Ca 0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1rwa n ALA 663 Cb 0.32 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1rwa n ALA 663 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rwa n LYS 664 N -1.54 -2.92 -3.94 0.00 5.02 -0.75 -4.95 118.16 109.08 1rwa n LYS 664 Ca 0.04 0.35 -0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1rwa n LYS 664 Cb 0.22 -4.55 -0.14 0.00 -0.02 0.00 0.00 35.03 30.54 1rwa n LYS 664 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rwa s THR 665 N -3.84 0.10 -0.02 -0.18 2.01 -1.04 -4.36 115.64 108.32 1rwa s THR 665 Ca 0.20 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1rwa s THR 665 Cb -0.11 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 1rwa s THR 665 CO 0.92 -0.07 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.64 1rwa s THR 666 N -0.28 1.98 0.05 -0.82 2.01 -0.28 -0.53 115.64 117.77 1rwa s THR 666 Ca -0.02 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 60.94 1rwa s THR 666 Cb -0.02 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1rwa s THR 666 CO -0.00 0.55 -0.14 0.00 -0.69 0.00 0.00 174.62 174.34 1rwa s ALA 667 N -0.60 1.14 -0.05 7.40 0.00 -0.08 -0.80 121.76 128.78 1rwa s ALA 667 Ca 0.10 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1rwa s ALA 667 Cb -0.10 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1rwa s ALA 667 CO -0.01 0.19 0.43 0.00 0.00 0.00 0.00 175.76 176.38 1rwa s ALA 668 N -1.00 -1.11 -0.03 0.00 0.00 0.15 -1.44 121.76 118.33 1rwa s ALA 668 Ca 0.00 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1rwa s ALA 668 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1rwa s ALA 668 CO 0.02 -0.28 -0.26 0.95 0.00 0.00 0.00 175.76 176.19 1rwa s THR 669 N -1.04 2.07 -0.11 0.00 -4.23 0.62 -0.88 115.64 112.07 1rwa s THR 669 Ca -0.11 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1rwa s THR 669 Cb -0.03 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 1rwa s THR 669 CO 0.05 0.58 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.16 1rwa s PHE 670 N -0.49 2.66 -0.17 3.99 0.40 0.32 -1.17 117.98 123.52 1rwa s PHE 670 Ca 0.06 -0.82 0.16 0.00 -0.60 0.00 0.00 56.93 55.74 1rwa s PHE 670 Cb -0.11 -1.75 -0.24 0.00 0.51 0.00 0.00 43.02 41.43 1rwa s PHE 670 CO 0.00 -0.29 0.18 0.91 0.70 0.00 0.00 175.22 176.72 1rwa n TRP 671 N 3.42 0.20 -4.08 0.36 7.02 0.22 -2.50 117.44 122.08 1rwa n TRP 671 Ca -0.18 0.07 -0.08 0.00 -1.02 0.00 0.00 57.50 56.29 1rwa n TRP 671 Cb 0.53 -1.04 -0.10 0.00 -2.42 0.00 0.00 31.31 28.28 1rwa n TRP 671 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rwa s LYS 672 N -2.51 0.58 0.36 -0.99 1.02 -0.98 -4.60 119.74 112.61 1rwa s LYS 672 Ca -0.10 -1.13 -0.28 0.00 0.02 0.00 0.00 55.97 54.48 1rwa s LYS 672 Cb 0.06 0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 37.43 1rwa s LYS 672 CO 0.82 -0.09 1.49 -2.14 -0.92 0.00 0.00 175.35 174.51 1rwa s PRO 673 N -3.51 4.13 0.00 -1.68 0.02 -1.26 -4.73 135.00 127.97 1rwa s PRO 673 Ca 0.04 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1rwa s PRO 673 Cb 0.05 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1rwa s PRO 673 CO -0.08 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1rwa n GLY 674 N 0.74 -2.14 3.64 0.52 0.00 -0.84 -5.00 105.19 102.11 1rwa n GLY 674 Ca 0.02 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1rwa n GLY 674 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rwa s MET 675 N -1.87 2.66 -0.30 1.61 -1.94 -1.26 -1.32 119.30 116.88 1rwa s MET 675 Ca 0.00 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1rwa s MET 675 Cb 0.00 -2.58 0.09 0.00 2.01 0.00 0.00 34.83 34.35 1rwa s MET 675 CO 0.00 0.61 0.04 0.00 -0.01 0.00 0.00 175.02 175.66 1rwa s ALA 676 N -1.05 2.13 0.00 3.03 0.00 0.72 -4.90 121.76 121.69 1rwa s ALA 676 Ca 0.18 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1rwa s ALA 676 Cb -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1rwa s ALA 676 CO 0.09 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.72 1rwa n GLY 677 N 4.59 3.90 1.36 0.00 0.00 -1.26 -2.56 105.19 111.21 1rwa n GLY 677 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1rwa n GLY 677 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rwa n ASP 678 N 6.43 4.00 -4.60 1.61 5.75 -1.26 -4.84 116.55 123.64 1rwa n ASP 678 Ca 0.00 -2.21 -0.34 0.00 -0.01 0.00 0.00 54.79 52.23 1rwa n ASP 678 Cb 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.48 1rwa n ASP 678 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1rwa s LEU 679 N -1.37 3.44 0.23 -2.12 2.96 -1.06 -3.26 118.68 117.49 1rwa s LEU 679 Ca 0.46 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1rwa s LEU 679 Cb 0.27 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 1rwa s LEU 679 CO 0.26 0.28 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.67 1rwa s GLY 680 N -0.31 1.53 0.02 7.98 0.00 -0.44 -0.20 107.32 115.90 1rwa s GLY 680 Ca 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1rwa s GLY 680 CO 0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 173.10 171.35 1rwa s ALA 681 N -3.14 0.20 -1.14 3.20 0.00 -0.43 -0.70 121.76 119.76 1rwa s ALA 681 Ca 0.25 -0.52 0.28 0.00 0.00 0.00 0.00 51.96 51.97 1rwa s ALA 681 Cb 0.03 0.09 1.03 0.00 0.00 0.00 0.00 23.12 24.27 1rwa s ALA 681 CO 0.08 -0.10 1.77 -1.13 0.00 0.00 0.00 175.76 176.38 1rwa n SER 682 N 1.86 0.24 -0.71 0.00 3.41 -0.13 -1.98 113.62 116.31 1rwa n SER 682 Ca -0.21 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1rwa n SER 682 Cb 0.56 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1rwa n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rwa n GLY 683 N 1.45 0.86 3.63 5.00 0.00 -1.26 -4.44 105.19 110.43 1rwa n GLY 683 Ca 0.08 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.86 1rwa n GLY 683 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rwa n PRO 684 N 0.00 1.62 -3.52 1.61 -0.02 -1.26 -4.75 135.00 128.68 1rwa n PRO 684 Ca 0.00 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 61.91 1rwa n PRO 684 Cb 0.00 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 1rwa n PRO 684 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rwa s ALA 685 N -0.25 -1.79 -0.10 3.55 0.00 -1.04 -4.42 121.76 117.72 1rwa s ALA 685 Ca 0.69 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.89 1rwa s ALA 685 Cb -0.73 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1rwa s ALA 685 CO 0.52 -0.45 -0.16 0.00 0.00 0.00 0.00 175.76 175.67 1rwa s VAL 687 N -0.00 0.07 -0.03 0.00 1.01 -0.06 -1.19 120.40 120.20 1rwa s VAL 687 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1rwa s VAL 687 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1rwa s VAL 687 CO 0.04 0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.35 1rwa s VAL 688 N -0.07 0.87 0.03 2.92 1.01 -0.44 -0.67 120.40 124.05 1rwa s VAL 688 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1rwa s VAL 688 Cb -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1rwa s VAL 688 CO -0.00 0.26 0.06 0.72 0.00 0.00 0.00 175.10 176.14 1rwa s PHE 689 N 0.11 0.25 -0.21 5.22 -0.12 0.02 -0.71 117.98 122.54 1rwa s PHE 689 Ca -0.02 -0.57 -0.11 0.00 -0.05 0.00 0.00 56.93 56.18 1rwa s PHE 689 Cb -0.08 -0.18 0.07 0.00 -0.63 0.00 0.00 43.02 42.19 1rwa s PHE 689 CO 0.01 -0.33 0.50 0.45 -0.05 0.00 0.00 175.22 175.80 1rwa s SER 690 N -2.08 -0.66 -0.02 1.98 0.15 -0.51 -1.13 113.70 111.43 1rwa s SER 690 Ca -0.06 1.11 -0.16 0.00 0.70 0.00 0.00 55.95 57.54 1rwa s SER 690 Cb -0.02 1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 65.24 1rwa s SER 690 CO -0.04 -0.21 0.43 -0.60 1.20 0.00 0.00 173.24 174.01 1rwa s ARG 691 N 1.53 4.02 -0.33 5.44 3.52 -1.26 -1.23 118.95 130.64 1rwa s ARG 691 Ca -0.09 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1rwa s ARG 691 Cb -0.07 -3.26 0.11 0.00 -1.56 0.00 0.00 34.95 30.16 1rwa s ARG 691 CO -0.15 0.59 0.12 -1.01 -0.81 0.00 0.00 175.30 174.03 1rwa s HIS 692 N -0.75 1.93 0.00 5.12 3.76 -0.13 -5.00 115.29 120.21 1rwa s HIS 692 Ca 0.24 -1.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.18 1rwa s HIS 692 Cb -0.17 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.68 1rwa s HIS 692 CO 0.13 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.56 1rwa n GLY 693 N 4.56 3.81 1.03 -2.22 0.00 -1.26 -1.66 105.19 109.46 1rwa n GLY 693 Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1rwa n GLY 693 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rwa n ASN 694 N 8.54 2.99 -4.29 1.61 6.94 -1.26 -4.91 115.26 124.88 1rwa n ASN 694 Ca 0.00 -2.18 -0.31 0.00 -0.02 0.00 0.00 54.58 52.08 1rwa n ASN 694 Cb 0.00 -0.41 -0.16 0.00 -2.36 0.00 0.00 39.78 36.85 1rwa n ASN 694 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1rwa s GLU 695 N -1.60 2.13 -0.17 -3.83 2.02 -0.66 -0.94 118.70 115.65 1rwa s GLU 695 Ca 0.33 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 1rwa s GLU 695 Cb 0.20 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 1rwa s GLU 695 CO 0.18 0.51 -0.07 -1.17 0.02 0.00 0.00 175.26 174.73 1rwa s LEU 696 N -0.50 2.92 -0.12 1.80 2.96 -0.44 -0.95 118.68 124.34 1rwa s LEU 696 Ca 0.07 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1rwa s LEU 696 Cb -0.10 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1rwa s LEU 696 CO -0.00 0.09 0.06 -0.44 -1.32 0.00 0.00 176.35 174.74 1rwa s SER 697 N 0.82 5.72 0.01 3.68 0.01 -0.36 -0.66 113.70 122.91 1rwa s SER 697 Ca -0.02 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1rwa s SER 697 Cb -0.15 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1rwa s SER 697 CO 0.01 0.34 -0.03 -0.76 0.41 0.00 0.00 173.24 173.22 1rwa s LEU 698 N -0.64 2.13 -0.08 2.44 1.02 -0.14 -1.42 118.68 121.99 1rwa s LEU 698 Ca 0.11 -0.29 0.04 0.00 0.02 0.00 0.00 54.13 54.01 1rwa s LEU 698 Cb -0.12 -0.01 -0.01 0.00 0.02 0.00 0.00 46.19 46.07 1rwa s LEU 698 CO 0.02 -0.14 -0.20 0.00 0.02 0.00 0.00 176.35 176.05 1rwa s ALA 699 N -0.80 2.36 -0.00 4.21 0.00 0.11 -0.66 121.76 126.98 1rwa s ALA 699 Ca -0.08 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1rwa s ALA 699 Cb -0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1rwa s ALA 699 CO -0.00 0.37 -0.04 0.08 0.00 0.00 0.00 175.76 176.17 1rwa s VAL 700 N -0.00 0.28 0.17 0.00 1.01 -0.32 -1.33 120.40 120.21 1rwa s VAL 700 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1rwa s VAL 700 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1rwa s VAL 700 CO 0.05 0.08 -0.15 -0.94 0.00 0.00 0.00 175.10 174.14 1rwa s SER 701 N -0.07 2.40 -0.62 3.32 1.04 -0.33 -0.46 113.70 118.98 1rwa s SER 701 Ca 0.01 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 1rwa s SER 701 Cb -0.02 -0.12 0.16 0.00 0.10 0.00 0.00 66.02 66.15 1rwa s SER 701 CO -0.00 -0.13 0.44 -0.70 0.98 0.00 0.00 173.24 173.82 1rwa s GLU 702 N -3.15 2.59 0.05 4.02 -6.30 -1.26 -1.89 118.70 112.75 1rwa s GLU 702 Ca 0.17 -2.45 0.28 0.00 -2.50 0.00 0.00 54.97 50.46 1rwa s GLU 702 Cb -0.03 -3.77 1.12 0.00 0.00 0.00 0.00 34.13 31.45 1rwa s GLU 702 CO 0.05 -1.17 1.87 -0.35 0.02 0.00 0.00 175.26 175.68 1rwa n PRO 703 N 3.64 0.06 0.20 4.30 -0.04 -1.26 -2.58 135.00 139.31 1rwa n PRO 703 Ca 0.07 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1rwa n PRO 703 Cb 0.39 -1.57 0.41 0.00 -0.04 0.00 0.00 33.50 32.69 1rwa n PRO 703 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1rwa h THR 704 N 0.00 0.98 -0.14 0.52 1.35 -1.86 -3.40 112.91 110.36 1rwa h THR 704 Ca 0.00 -1.29 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 1rwa h THR 704 Cb 0.54 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1rwa h THR 704 CO 0.00 0.33 -0.05 0.00 -0.25 0.00 0.00 175.52 175.55 1rwa n GLN 705 N -3.75 -0.88 0.00 4.72 6.02 -1.07 -4.84 117.38 117.58 1rwa n GLN 705 Ca -0.01 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1rwa n GLN 705 Cb 0.43 -4.20 0.00 0.00 1.02 0.00 0.00 30.24 27.49 1rwa n GLN 705 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1rwa n LYS 706 N -1.56 3.50 -3.49 -1.09 5.02 -1.26 -4.67 118.16 114.61 1rwa n LYS 706 Ca -0.03 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.83 1rwa n LYS 706 Cb 0.27 -0.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.82 1rwa n LYS 706 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rwa s ALA 707 N -0.52 3.67 -0.16 7.82 0.00 -1.26 -4.98 121.76 126.33 1rwa s ALA 707 Ca 0.00 -0.23 0.19 0.00 0.00 0.00 0.00 51.96 51.92 1rwa s ALA 707 Cb 0.00 -2.41 0.31 0.00 0.00 0.00 0.00 23.12 21.02 1rwa s ALA 707 CO 0.00 0.41 1.56 0.00 0.00 0.00 0.00 175.76 177.73 1rwa h ALA 708 N 5.03 0.82 -2.46 0.00 0.00 -1.97 -3.34 119.26 117.33 1rwa h ALA 708 Ca -0.50 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 1rwa h ALA 708 Cb 1.21 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1rwa h ALA 708 CO 0.64 0.41 -0.44 0.20 0.00 0.00 0.00 179.25 180.06 1rwa s GLY 709 N -4.37 0.16 -0.20 0.00 0.00 -1.26 -0.28 107.32 101.37 1rwa s GLY 709 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 43.91 1rwa s GLY 709 CO 0.70 -0.89 0.49 -2.27 0.00 0.00 0.00 173.10 171.14 1rwa s LEU 710 N -2.82 -0.24 -0.14 0.66 2.96 -0.99 -4.84 118.68 113.26 1rwa s LEU 710 Ca 0.05 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 1rwa s LEU 710 Cb 0.05 1.67 0.01 0.00 0.50 0.00 0.00 46.19 48.42 1rwa s LEU 710 CO -0.10 -0.20 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.64 1rwa s THR 711 N 1.17 2.23 0.01 3.68 2.01 -1.26 -0.70 115.64 122.78 1rwa s THR 711 Ca -0.07 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1rwa s THR 711 Cb -0.06 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1rwa s THR 711 CO -0.11 0.54 0.26 -0.76 -0.69 0.00 0.00 174.62 173.86 1rwa s LEU 712 N 0.80 4.37 -0.36 4.42 1.43 0.10 -0.95 118.68 128.49 1rwa s LEU 712 Ca -0.07 0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 1rwa s LEU 712 Cb -0.16 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1rwa s LEU 712 CO -0.01 0.25 0.26 -0.89 0.23 0.00 0.00 176.35 176.19 1rwa s THR 713 N -1.30 5.27 0.35 5.49 2.01 0.13 -1.07 115.64 126.52 1rwa s THR 713 Ca 0.27 -0.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.72 1rwa s THR 713 Cb -0.13 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1rwa s THR 713 CO 0.16 -0.08 1.03 -0.76 -0.69 0.00 0.00 174.62 174.28 1rwa s LEU 714 N 1.73 4.28 0.78 4.42 1.43 0.21 -1.32 118.68 130.21 1rwa s LEU 714 Ca 0.06 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 55.11 1rwa s LEU 714 Cb -0.18 -4.01 0.10 0.00 0.03 0.00 0.00 46.19 42.13 1rwa s LEU 714 CO 0.10 -0.30 1.11 -2.16 0.23 0.00 0.00 176.35 175.33 1rwa s PRO 715 N -2.14 1.74 -1.11 1.29 0.04 -1.20 -4.55 135.00 129.07 1rwa s PRO 715 Ca 0.53 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1rwa s PRO 715 Cb -0.23 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1rwa s PRO 715 CO 0.30 -1.59 0.00 0.39 0.04 0.00 0.00 177.00 176.14 1rwa n GLU 716 N -3.17 -1.03 0.00 4.56 -0.58 -1.26 -4.80 120.64 114.36 1rwa n GLU 716 Ca 0.11 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1rwa n GLU 716 Cb 0.60 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.63 1rwa n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rwa n GLY 717 N -1.02 0.15 3.83 0.62 0.00 -1.26 -4.92 105.19 102.59 1rwa n GLY 717 Ca -0.15 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 1rwa n GLY 717 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwa s THR 718 N 0.00 4.95 -0.05 2.61 2.01 -1.26 -4.42 115.64 119.48 1rwa s THR 718 Ca 0.00 0.94 0.03 0.00 0.31 0.00 0.00 61.69 62.98 1rwa s THR 718 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1rwa s THR 718 CO 0.00 0.57 -0.14 0.26 -0.69 0.00 0.00 174.62 174.62 1rwa s TRP 719 N -1.06 1.47 -0.07 4.92 0.52 -1.26 -4.63 118.94 118.82 1rwa s TRP 719 Ca 0.25 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 56.00 1rwa s TRP 719 Cb -0.17 -1.03 -0.13 0.00 -1.15 0.00 0.00 33.47 30.98 1rwa s TRP 719 CO 0.15 -0.20 0.10 -1.13 0.02 0.00 0.00 176.95 175.89 1rwa n SER 720 N 3.43 2.59 -3.98 2.95 3.41 -0.28 -4.96 113.62 116.77 1rwa n SER 720 Ca -0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 1rwa n SER 720 Cb 0.53 0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 65.35 1rwa n SER 720 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rwa s SER 721 N -3.89 0.27 -0.35 4.04 0.01 -1.09 -5.00 113.70 107.69 1rwa s SER 721 Ca -0.05 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 1rwa s SER 721 Cb 0.04 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1rwa s SER 721 CO 0.41 -0.42 0.15 -0.69 0.41 0.00 0.00 173.24 173.10 1rwa s VAL 722 N -2.26 4.12 0.03 3.43 1.01 -1.26 -0.92 120.40 124.56 1rwa s VAL 722 Ca -0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1rwa s VAL 722 Cb -0.04 -3.31 -0.32 0.00 0.00 0.00 0.00 36.38 32.71 1rwa s VAL 722 CO -0.04 -0.19 1.00 -0.07 0.00 0.00 0.00 175.10 175.80 1rwa h LEU 723 N 8.31 0.63 -7.53 3.92 3.38 -1.01 -3.48 115.31 119.54 1rwa h LEU 723 Ca -0.24 -0.71 -0.17 0.00 0.09 0.00 0.00 57.88 56.84 1rwa h LEU 723 Cb 1.09 -0.20 -0.26 0.00 0.09 0.00 0.00 40.66 41.38 1rwa h LEU 723 CO 0.63 1.57 -0.47 -1.61 0.09 0.00 0.00 178.44 178.65 1rwa s GLU 724 N -2.62 0.27 0.36 1.13 2.02 -0.92 -4.95 118.70 113.98 1rwa s GLU 724 Ca -0.08 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1rwa s GLU 724 Cb 0.06 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1rwa s GLU 724 CO 0.91 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.56 1rwa n GLY 725 N 2.85 -2.43 3.30 -1.39 0.00 -1.25 -1.49 105.19 104.77 1rwa n GLY 725 Ca -0.13 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 1rwa n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwa s ALA 726 N -1.14 1.99 0.00 4.61 0.00 -1.26 -4.97 121.76 120.98 1rwa s ALA 726 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1rwa s ALA 726 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1rwa s ALA 726 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.62 1rwa n GLY 727 N 1.69 2.95 3.19 0.00 0.00 -1.26 -4.88 105.19 106.87 1rwa n GLY 727 Ca -0.17 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1rwa n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwa s THR 728 N -2.00 2.66 0.44 2.61 2.01 0.04 -4.92 115.64 116.48 1rwa s THR 728 Ca 0.00 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.88 1rwa s THR 728 Cb 0.00 -2.25 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 1rwa s THR 728 CO 0.00 0.37 1.06 -0.76 -0.69 0.00 0.00 174.62 174.60 1rwa s LEU 729 N 1.34 4.01 0.00 4.42 1.43 -1.26 -0.84 118.68 127.78 1rwa s LEU 729 Ca 0.03 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1rwa s LEU 729 Cb -0.15 -4.34 0.01 0.00 0.03 0.00 0.00 46.19 41.74 1rwa s LEU 729 CO -0.07 -0.67 0.14 0.61 0.23 0.00 0.00 176.35 176.59 1rwa n GLY 730 N 0.14 2.58 3.12 -3.19 0.00 -0.37 -4.95 105.19 102.51 1rwa n GLY 730 Ca 0.07 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1rwa n GLY 730 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwa s THR 731 N -2.60 1.05 0.46 2.61 2.01 -1.26 -1.25 115.64 116.66 1rwa s THR 731 Ca 0.06 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.24 1rwa s THR 731 Cb -0.01 -0.94 0.08 0.00 0.01 0.00 0.00 72.50 71.65 1rwa s THR 731 CO 0.05 0.07 0.63 -0.90 -0.69 0.00 0.00 174.62 173.78 1rwa n ASP 732 N 2.13 1.31 0.28 3.53 5.68 -0.04 -4.92 116.55 124.53 1rwa n ASP 732 Ca -0.17 -2.00 0.15 0.00 -0.50 0.00 0.00 54.79 52.28 1rwa n ASP 732 Cb 0.55 -0.37 0.82 0.00 -1.14 0.00 0.00 41.12 40.98 1rwa n ASP 732 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rwa h ALA 733 N -0.09 1.20 -0.22 2.12 0.00 -2.02 -0.97 119.26 119.29 1rwa h ALA 733 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rwa h ALA 733 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rwa h ALA 733 CO 0.27 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1rwa n ASP 734 N -3.47 2.86 0.00 0.00 8.00 -1.26 -4.95 116.55 117.74 1rwa n ASP 734 Ca -0.02 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1rwa n ASP 734 Cb 0.21 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1rwa n ASP 734 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rwa n GLY 735 N 1.37 0.53 3.82 0.44 0.00 -0.37 -5.05 105.19 105.93 1rwa n GLY 735 Ca 0.17 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1rwa n GLY 735 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rwa s ARG 736 N -0.50 4.24 0.34 1.61 0.52 -1.26 -4.77 118.95 119.13 1rwa s ARG 736 Ca 0.00 0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 55.92 1rwa s ARG 736 Cb 0.00 -2.52 -0.09 0.00 0.52 0.00 0.00 34.95 32.86 1rwa s ARG 736 CO 0.00 0.17 1.02 -1.12 0.02 0.00 0.00 175.30 175.39 1rwa s SER 737 N -1.99 7.11 0.16 0.23 0.01 -1.26 -0.86 113.70 117.10 1rwa s SER 737 Ca 0.54 2.03 0.09 0.00 1.31 0.00 0.00 55.95 59.91 1rwa s SER 737 Cb -0.13 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1rwa s SER 737 CO 0.18 -0.24 -0.19 0.42 0.41 0.00 0.00 173.24 173.82 1rwa s THR 738 N -1.49 1.84 -0.17 1.44 -4.23 -0.38 -0.62 115.64 112.03 1rwa s THR 738 Ca 0.51 -1.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1rwa s THR 738 Cb -0.24 -1.81 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1rwa s THR 738 CO 0.30 -0.25 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.85 1rwa s LEU 739 N -2.53 1.69 -0.22 4.79 2.96 -0.23 -1.23 118.68 123.90 1rwa s LEU 739 Ca 0.14 -0.68 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 1rwa s LEU 739 Cb -0.07 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 1rwa s LEU 739 CO 0.06 -0.17 0.15 -0.89 -1.32 0.00 0.00 176.35 174.18 1rwa s THR 740 N 1.60 5.35 -0.04 3.68 2.01 -0.02 -0.72 115.64 127.50 1rwa s THR 740 Ca 0.01 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1rwa s THR 740 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1rwa s THR 740 CO -0.08 0.38 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.34 1rwa s LEU 741 N 0.80 2.77 -0.46 4.42 1.43 0.12 -0.78 118.68 126.98 1rwa s LEU 741 Ca 0.08 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1rwa s LEU 741 Cb -0.13 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1rwa s LEU 741 CO 0.02 0.34 0.67 -0.62 0.23 0.00 0.00 176.35 176.99 1rwa s ASP 742 N -0.81 6.30 -0.07 2.29 -1.08 -1.26 -2.35 116.67 119.69 1rwa s ASP 742 Ca 0.12 -0.47 0.17 0.00 -0.52 0.00 0.00 52.55 51.85 1rwa s ASP 742 Cb -0.11 -2.32 0.57 0.00 -1.46 0.00 0.00 42.92 39.60 1rwa s ASP 742 CO 0.01 -0.85 1.48 0.35 0.52 0.00 0.00 175.17 176.68 1rwa n THR 743 N 5.84 1.53 -1.68 1.71 -2.24 0.61 -4.96 114.28 115.08 1rwa n THR 743 Ca -0.02 -1.21 -0.48 0.00 -2.27 0.00 0.00 64.05 60.07 1rwa n THR 743 Cb 0.47 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 1rwa n THR 743 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rwa n THR 744 N 0.81 0.55 -1.06 4.28 -1.04 -1.06 -2.11 114.28 114.65 1rwa n THR 744 Ca 0.21 -0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 62.10 1rwa n THR 744 Cb 0.72 -1.89 -0.01 0.00 -1.82 0.00 0.00 70.33 67.33 1rwa n THR 744 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rwa n GLY 745 N 4.34 0.51 0.20 3.41 0.00 -1.26 -4.90 105.19 107.49 1rwa n GLY 745 Ca 0.22 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.18 1rwa n GLY 745 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rwa h LEU 746 N 0.00 0.00 0.92 0.99 3.38 -1.76 -3.47 115.31 115.37 1rwa h LEU 746 Ca -0.05 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.52 1rwa h LEU 746 Cb 0.40 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.20 1rwa h LEU 746 CO 0.07 0.00 -0.61 -1.20 0.09 0.00 0.00 178.44 176.79 1rwa n SER 747 N -2.66 -5.97 0.00 -0.43 7.64 -1.26 -1.24 113.62 109.71 1rwa n SER 747 Ca 0.01 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1rwa n SER 747 Cb 0.27 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 1rwa n SER 747 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rwa n GLY 748 N -1.51 0.66 3.81 0.23 0.00 -1.26 -4.49 105.19 102.62 1rwa n GLY 748 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1rwa n GLY 748 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwa s LYS 749 N -0.16 3.19 0.10 1.61 -0.14 -0.37 -4.71 119.74 119.26 1rwa s LYS 749 Ca 0.00 1.11 -0.29 0.00 -1.36 0.00 0.00 55.97 55.43 1rwa s LYS 749 Cb 0.00 -2.02 -0.06 0.00 -1.68 0.00 0.00 37.83 34.07 1rwa s LYS 749 CO 0.00 -0.91 0.92 0.99 -0.76 0.00 0.00 175.35 175.59 1rwa s THR 750 N -2.67 4.53 -0.23 2.17 2.01 -1.26 -4.51 115.64 115.68 1rwa s THR 750 Ca 0.61 1.98 -0.09 0.00 0.31 0.00 0.00 61.69 64.50 1rwa s THR 750 Cb -0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1rwa s THR 750 CO 0.43 0.34 0.11 -0.54 -0.69 0.00 0.00 174.62 174.27 1rwa s LYS 751 N -0.08 3.95 -0.13 4.92 1.02 0.39 -4.94 119.74 124.87 1rwa s LYS 751 Ca 0.45 -0.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.95 1rwa s LYS 751 Cb -0.23 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1rwa s LYS 751 CO 0.28 0.06 0.37 -0.51 -0.92 0.00 0.00 175.35 174.64 1rwa s LEU 752 N 1.00 4.27 -0.01 3.17 1.43 -1.26 -1.18 118.68 126.10 1rwa s LEU 752 Ca 0.06 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1rwa s LEU 752 Cb -0.14 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1rwa s LEU 752 CO 0.04 0.08 -0.12 -0.63 0.23 0.00 0.00 176.35 175.94 1rwa s ILE 753 N 0.42 0.96 -0.04 -0.59 1.01 0.17 -3.96 121.20 119.17 1rwa s ILE 753 Ca 0.21 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1rwa s ILE 753 Cb -0.14 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.53 1rwa s ILE 753 CO 0.07 0.27 -0.10 -0.75 0.00 0.00 0.00 174.94 174.43 1rwa s LYS 754 N -0.29 1.21 0.23 2.79 2.20 -0.55 -0.96 119.74 124.37 1rwa s LYS 754 Ca 0.05 -0.34 0.11 0.00 -0.36 0.00 0.00 55.97 55.43 1rwa s LYS 754 Cb -0.05 -1.09 -0.05 0.00 -1.51 0.00 0.00 37.83 35.14 1rwa s LYS 754 CO -0.00 0.09 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.38 1rwa s LEU 755 N 0.37 2.64 0.06 5.43 1.43 0.17 -0.33 118.68 128.44 1rwa s LEU 755 Ca -0.07 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 1rwa s LEU 755 Cb -0.11 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1rwa s LEU 755 CO 0.01 0.07 -0.24 -0.75 0.23 0.00 0.00 176.35 175.68 1rwa s LYS 756 N -3.13 1.55 0.00 1.70 2.20 -0.09 -1.33 119.74 120.64 1rwa s LYS 756 Ca 0.26 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 1rwa s LYS 756 Cb -0.07 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.51 1rwa s LYS 756 CO 0.14 0.44 0.38 -2.13 -0.36 0.00 0.00 175.35 173.82