#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwe s ALA 3 N 0.00 3.33 -0.02 7.33 0.00 -1.26 -1.77 121.76 129.38 3mwe s ALA 3 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3mwe s ALA 3 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3mwe s ALA 3 CO 0.00 0.03 -0.06 0.15 0.00 0.00 0.00 175.76 175.88 3mwe s LYS 4 N -0.82 0.64 0.66 0.00 1.02 0.38 -4.89 119.74 116.74 3mwe s LYS 4 Ca 0.44 -0.18 -0.17 0.00 0.02 0.00 0.00 55.97 56.08 3mwe s LYS 4 Cb -0.27 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.40 3mwe s LYS 4 CO 0.33 0.05 1.21 0.00 -0.92 0.00 0.00 175.35 176.03 3mwe s ALA 5 N 0.27 2.35 0.21 5.17 0.00 -1.26 -1.78 121.76 126.72 3mwe s ALA 5 Ca -0.03 0.96 0.09 0.00 0.00 0.00 0.00 51.96 52.98 3mwe s ALA 5 Cb -0.07 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3mwe s ALA 5 CO -0.00 -1.50 -0.17 0.96 0.00 0.00 0.00 175.76 175.04 3mwe s ILE 6 N -1.76 1.96 0.87 0.00 -4.36 -0.77 -4.02 121.20 113.13 3mwe s ILE 6 Ca 0.76 -2.18 -0.10 0.00 -0.26 0.00 0.00 60.65 58.87 3mwe s ILE 6 Cb -0.30 -2.06 0.12 0.00 1.25 0.00 0.00 42.46 41.47 3mwe s ILE 6 CO 0.39 -0.46 1.12 -0.94 0.24 0.00 0.00 174.94 175.29 3mwe s SER 7 N -3.18 3.42 0.29 4.36 1.04 -1.26 -4.45 113.70 113.93 3mwe s SER 7 Ca 0.23 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.61 3mwe s SER 7 Cb -0.03 -2.51 0.42 0.00 0.10 0.00 0.00 66.02 64.00 3mwe s SER 7 CO 0.09 -2.75 1.96 -0.08 0.98 0.00 0.00 173.24 173.44 3mwe h GLU 8 N -1.62 1.10 -0.51 4.02 4.81 -1.88 -1.40 114.58 119.09 3mwe h GLU 8 Ca -0.45 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 3mwe h GLU 8 Cb 1.26 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3mwe h GLU 8 CO 0.46 0.74 0.01 0.37 -0.73 0.00 0.00 179.01 179.86 3mwe h GLN 9 N 1.13 0.90 -0.22 1.92 4.15 -1.91 -0.32 115.11 120.77 3mwe h GLN 9 Ca 0.30 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3mwe h GLN 9 Cb -0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 3mwe h GLN 9 CO -0.06 0.93 0.13 1.15 -1.93 0.00 0.00 178.83 179.04 3mwe h THR 10 N 0.77 1.10 -0.79 2.39 2.02 -1.81 -0.48 112.91 116.11 3mwe h THR 10 Ca 0.15 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3mwe h THR 10 Cb 0.52 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3mwe h THR 10 CO 0.03 0.09 0.44 1.23 0.37 0.00 0.00 175.52 177.68 3mwe h GLY 11 N 0.27 1.18 1.09 2.16 0.00 -1.04 -1.16 103.07 105.56 3mwe h GLY 11 Ca 0.08 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 3mwe h GLY 11 CO -0.01 0.51 -0.17 0.50 0.00 0.00 0.00 176.54 177.36 3mwe h LYS 12 N 1.10 0.98 -0.20 4.80 1.57 -0.89 -0.92 116.57 123.01 3mwe h LYS 12 Ca 0.28 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3mwe h LYS 12 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3mwe h LYS 12 CO -0.05 1.08 0.11 1.49 -0.57 0.00 0.00 179.45 181.51 3mwe h GLU 13 N 0.84 0.28 -0.60 3.15 4.81 -0.69 0.21 114.58 122.59 3mwe h GLU 13 Ca 0.12 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3mwe h GLU 13 Cb 0.75 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 3mwe h GLU 13 CO 0.06 0.27 0.36 -0.07 -0.73 0.00 0.00 179.01 178.90 3mwe h LEU 14 N 0.22 0.57 0.07 1.64 3.38 -1.14 0.04 115.31 120.09 3mwe h LEU 14 Ca 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mwe h LEU 14 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3mwe h LEU 14 CO -0.01 0.40 -0.03 0.25 0.09 0.00 0.00 178.44 179.13 3mwe h LEU 15 N 0.70 -0.07 -1.33 1.67 6.46 -0.85 -0.18 115.31 121.70 3mwe h LEU 15 Ca 0.24 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3mwe h LEU 15 Cb 0.04 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 3mwe h LEU 15 CO -0.11 0.09 0.43 1.88 -0.62 0.00 0.00 178.44 180.10 3mwe h TYR 16 N -0.23 0.84 -0.26 1.25 0.05 -0.42 -1.57 116.97 116.62 3mwe h TYR 16 Ca -0.01 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.60 3mwe h TYR 16 Cb 0.20 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.66 3mwe h TYR 16 CO -0.03 0.54 -0.58 0.87 -1.05 0.00 0.00 178.16 177.92 3mwe h LYS 17 N 0.90 0.82 0.00 4.88 1.57 -0.68 -3.40 116.57 120.66 3mwe h LYS 17 Ca 0.24 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3mwe h LYS 17 Cb -0.09 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3mwe h LYS 17 CO -0.05 1.17 -0.12 1.19 -0.57 0.00 0.00 179.45 181.07 3mwe n PHE 18 N -3.99 0.00 -2.44 -1.35 3.72 -0.11 -5.01 117.46 108.29 3mwe n PHE 18 Ca -0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 3mwe n PHE 18 Cb 0.64 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.15 3mwe n PHE 18 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3mwe s ILE 19 N -1.18 4.02 -0.34 4.37 2.07 -0.62 -4.89 121.20 124.63 3mwe s ILE 19 Ca 0.00 1.49 -0.08 0.00 -1.41 0.00 0.00 60.65 60.65 3mwe s ILE 19 Cb 0.01 -3.95 0.03 0.00 0.13 0.00 0.00 42.46 38.67 3mwe s ILE 19 CO 0.06 0.14 0.14 0.00 -1.91 0.00 0.00 174.94 173.36 3mwe s THR 21 N 1.49 0.01 -0.15 0.00 -1.32 -1.26 -4.40 115.64 110.00 3mwe s THR 21 Ca 0.01 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.68 3mwe s THR 21 Cb -0.19 -0.75 0.32 0.00 -1.51 0.00 0.00 72.50 70.37 3mwe s THR 21 CO 0.04 -0.04 1.76 0.71 -2.21 0.00 0.00 174.62 174.88 3mwe h THR 22 N 4.05 0.13 -2.74 5.08 1.35 -1.97 -3.44 112.91 115.37 3mwe h THR 22 Ca -0.28 -0.94 -0.56 0.00 -0.55 0.00 0.00 66.41 64.09 3mwe h THR 22 Cb 1.17 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 3mwe h THR 22 CO 0.24 0.07 1.03 -0.94 -0.25 0.00 0.00 175.52 175.66 3mwe s SER 23 N -6.04 6.72 -0.15 5.36 1.04 -1.26 -4.91 113.70 114.45 3mwe s SER 23 Ca 0.04 1.94 -0.29 0.00 0.48 0.00 0.00 55.95 58.12 3mwe s SER 23 Cb 0.07 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.61 3mwe s SER 23 CO 0.63 -0.92 1.88 0.00 0.98 0.00 0.00 173.24 175.80 3mwe s ALA 24 N 4.04 3.20 -0.19 5.32 0.00 -1.26 -4.91 121.76 127.97 3mwe s ALA 24 Ca 0.66 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 3mwe s ALA 24 Cb -0.28 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 3mwe s ALA 24 CO 0.24 -2.08 0.31 0.42 0.00 0.00 0.00 175.76 174.65 3mwe s ILE 25 N 5.87 5.28 0.39 0.00 1.01 -1.26 -1.58 121.20 130.91 3mwe s ILE 25 Ca 0.84 0.56 0.01 0.00 0.00 0.00 0.00 60.65 62.06 3mwe s ILE 25 Cb -0.32 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3mwe s ILE 25 CO 0.34 0.33 0.59 -1.10 0.00 0.00 0.00 174.94 175.11 3mwe s GLN 26 N 0.85 3.28 -1.37 2.79 -1.52 -0.12 -4.45 119.66 119.12 3mwe s GLN 26 Ca 0.16 -0.44 -0.02 0.00 -1.95 0.00 0.00 55.36 53.11 3mwe s GLN 26 Cb -0.14 -2.63 0.01 0.00 -0.22 0.00 0.00 33.01 30.03 3mwe s GLN 26 CO 0.05 -0.03 0.15 0.09 -0.25 0.00 0.00 175.29 175.30 3mwe n ASN 27 N -1.90 -4.79 -4.67 5.90 3.02 -1.26 -4.76 115.26 106.79 3mwe n ASN 27 Ca -0.02 -0.01 -0.46 0.00 -0.03 0.00 0.00 54.58 54.07 3mwe n ASN 27 Cb 0.57 -4.00 -0.04 0.00 -0.61 0.00 0.00 39.78 35.70 3mwe n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mwe n ARG 28 N -3.16 2.17 -0.76 3.52 1.74 -1.26 -1.73 116.66 117.18 3mwe n ARG 28 Ca -0.16 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3mwe n ARG 28 Cb 0.63 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 3mwe n ARG 28 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3mwe n PHE 29 N 3.33 0.00 -2.56 -1.55 3.72 -1.26 -4.92 117.46 114.22 3mwe n PHE 29 Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 3mwe n PHE 29 Cb 0.29 -1.07 -0.00 0.00 -0.94 0.00 0.00 39.48 37.75 3mwe n PHE 29 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3mwe s LYS 30 N -0.84 3.91 -0.13 -1.08 -0.14 -0.70 -4.86 119.74 115.90 3mwe s LYS 30 Ca 0.00 -1.95 -0.19 0.00 -1.36 0.00 0.00 55.97 52.47 3mwe s LYS 30 Cb 0.00 -5.52 0.05 0.00 -1.68 0.00 0.00 37.83 30.67 3mwe s LYS 30 CO 0.00 -2.34 0.49 1.52 -0.76 0.00 0.00 175.35 174.26 3mwe s TYR 31 N 4.56 -0.49 -0.05 3.18 -0.85 -1.26 -4.30 117.35 118.14 3mwe s TYR 31 Ca 0.55 1.08 0.03 0.00 -0.52 0.00 0.00 57.07 58.21 3mwe s TYR 31 Cb 0.04 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.59 3mwe s TYR 31 CO 0.08 -0.35 -0.15 0.00 -1.52 0.00 0.00 175.55 173.60 3mwe s ALA 32 N -0.34 1.41 0.05 9.51 0.00 -0.27 -4.98 121.76 127.13 3mwe s ALA 32 Ca -0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 3mwe s ALA 32 Cb -0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 3mwe s ALA 32 CO 0.03 0.21 0.52 0.50 0.00 0.00 0.00 175.76 177.01 3mwe s ARG 33 N 0.30 4.12 -0.06 0.00 3.52 -1.26 -1.07 118.95 124.50 3mwe s ARG 33 Ca -0.09 0.63 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 3mwe s ARG 33 Cb -0.13 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3mwe s ARG 33 CO 0.03 0.64 -0.10 0.08 -0.81 0.00 0.00 175.30 175.14 3mwe s VAL 34 N -1.05 0.97 0.40 7.11 1.01 0.16 -4.99 120.40 124.02 3mwe s VAL 34 Ca 0.27 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3mwe s VAL 34 Cb -0.19 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3mwe s VAL 34 CO 0.17 0.32 0.03 0.35 0.00 0.00 0.00 175.10 175.97 3mwe n THR 35 N 3.88 0.00 1.54 3.92 -2.24 -1.26 -0.45 114.28 119.67 3mwe n THR 35 Ca -0.23 -1.97 0.14 0.00 -2.27 0.00 0.00 64.05 59.71 3mwe n THR 35 Cb 0.51 0.47 0.76 0.00 -2.10 0.00 0.00 70.33 69.97 3mwe n THR 35 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3mwe n PRO 36 N -0.98 0.66 0.00 -0.78 -0.04 -1.26 -2.74 135.00 129.87 3mwe n PRO 36 Ca -0.14 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 3mwe n PRO 36 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3mwe n PRO 36 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3mwe n ASP 37 N -1.12 1.83 -4.69 3.54 8.00 -1.26 -5.01 116.55 117.84 3mwe n ASP 37 Ca 0.17 -1.42 -0.44 0.00 0.71 0.00 0.00 54.79 53.82 3mwe n ASP 37 Cb 0.14 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 3mwe n ASP 37 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mwe n THR 38 N -0.11 0.58 -3.10 -3.53 -1.04 -1.11 -4.94 114.28 101.03 3mwe n THR 38 Ca 0.08 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 3mwe n THR 38 Cb 0.41 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 67.22 3mwe n THR 38 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3mwe s ASP 39 N 0.61 6.29 0.36 8.00 -1.08 -1.26 -4.93 116.67 124.66 3mwe s ASP 39 Ca 0.71 -0.54 0.27 0.00 -0.52 0.00 0.00 52.55 52.48 3mwe s ASP 39 Cb -0.61 -2.32 1.05 0.00 -1.46 0.00 0.00 42.92 39.57 3mwe s ASP 39 CO 0.44 -0.87 1.80 -0.50 0.52 0.00 0.00 175.17 176.57 3mwe h TRP 40 N 8.97 0.00 0.05 -5.34 4.06 -1.99 -1.70 115.95 120.00 3mwe h TRP 40 Ca -0.26 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.69 3mwe h TRP 40 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 3mwe h TRP 40 CO 0.75 0.00 -0.03 0.00 -3.56 0.00 0.00 178.44 175.61 3mwe h ALA 41 N 2.19 -0.07 0.00 1.49 0.00 -2.00 -3.04 119.26 117.82 3mwe h ALA 41 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3mwe h ALA 41 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3mwe h ALA 41 CO 0.00 -0.18 -0.45 0.07 0.00 0.00 0.00 179.25 178.69 3mwe h ARG 42 N -0.80 0.00 -0.57 0.00 0.11 -1.95 -1.77 114.38 109.39 3mwe h ARG 42 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 3mwe h ARG 42 Cb 0.64 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.69 3mwe h ARG 42 CO 0.01 0.45 0.31 1.25 0.10 0.00 0.00 179.97 182.09 3mwe h LEU 43 N 0.00 0.71 -0.18 0.08 5.85 -1.41 0.31 115.31 120.68 3mwe h LEU 43 Ca -0.00 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3mwe h LEU 43 Cb 1.07 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3mwe h LEU 43 CO 0.06 0.60 -0.24 0.25 -0.34 0.00 0.00 178.44 178.77 3mwe h LEU 44 N 0.77 0.52 -2.89 2.25 5.85 -1.39 0.17 115.31 120.58 3mwe h LEU 44 Ca 0.20 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3mwe h LEU 44 Cb 0.05 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3mwe h LEU 44 CO -0.03 0.93 0.03 1.56 -0.34 0.00 0.00 178.44 180.58 3mwe h GLN 45 N 0.12 0.00 0.00 1.25 1.08 -1.18 -1.49 115.11 114.90 3mwe h GLN 45 Ca 0.02 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.90 3mwe h GLN 45 Cb 0.80 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.18 3mwe h GLN 45 CO 0.06 0.00 -1.94 -0.25 -0.95 0.00 0.00 178.83 175.74 3mwe n ASP 46 N -3.11 0.57 -3.22 1.46 8.00 0.09 -4.56 116.55 115.77 3mwe n ASP 46 Ca -0.03 0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.49 3mwe n ASP 46 Cb 0.10 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 3mwe n ASP 46 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3mwe n HIS 47 N -2.94 2.84 0.30 1.24 8.25 0.55 -4.90 115.22 120.56 3mwe n HIS 47 Ca -0.22 -3.99 0.19 0.00 -0.26 0.00 0.00 57.72 53.44 3mwe n HIS 47 Cb 1.09 -0.49 1.00 0.00 1.12 0.00 0.00 29.99 32.71 3mwe n HIS 47 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3mwe h PRO 48 N 3.66 0.00 0.00 -0.41 0.13 -1.60 0.13 132.00 133.91 3mwe h PRO 48 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3mwe h PRO 48 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3mwe h PRO 48 CO 0.74 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.62 3mwe h TRP 49 N 0.00 0.00 0.00 1.56 5.08 -1.91 -2.58 115.95 118.11 3mwe h TRP 49 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3mwe h TRP 49 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 3mwe h TRP 49 CO 0.00 0.00 0.06 -0.07 -1.28 0.00 0.00 178.44 177.15 3mwe h LEU 50 N 0.00 0.00 0.00 0.11 3.38 -1.32 -1.96 115.31 115.53 3mwe h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mwe h LEU 50 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mwe h LEU 50 CO 0.00 0.00 -1.66 0.18 0.09 0.00 0.00 178.44 177.05 3mwe n LEU 51 N -2.29 0.10 0.11 1.67 4.77 -0.97 -4.48 117.00 115.91 3mwe n LEU 51 Ca -0.01 -0.06 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 3mwe n LEU 51 Cb 0.09 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.61 3mwe n LEU 51 CO 0.10 0.02 0.97 0.28 -1.33 0.00 0.00 177.39 177.43 3mwe h SER 52 N 0.00 0.26 -5.14 -1.43 0.02 -1.52 -3.46 113.55 102.28 3mwe h SER 52 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3mwe h SER 52 Cb 0.73 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.13 3mwe h SER 52 CO 0.00 0.34 0.01 0.00 -1.14 0.00 0.00 176.83 176.04 3mwe s GLN 53 N -4.94 1.58 0.79 3.45 0.00 -1.26 -5.16 119.66 114.13 3mwe s GLN 53 Ca -0.06 -1.10 -0.11 0.00 -0.00 0.00 0.00 55.36 54.09 3mwe s GLN 53 Cb 0.16 0.52 0.07 0.00 0.00 0.00 0.00 33.01 33.76 3mwe s GLN 53 CO 0.73 -0.68 1.11 -0.80 0.00 0.00 0.00 175.29 175.65 3mwe s ASN 54 N -2.96 4.18 0.38 12.60 -0.87 -1.26 -4.80 114.94 122.21 3mwe s ASN 54 Ca 0.17 1.96 0.04 0.00 -1.57 0.00 0.00 52.86 53.45 3mwe s ASN 54 Cb -0.02 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.25 38.61 3mwe s ASN 54 CO 0.06 -2.26 0.05 -0.76 -2.57 0.00 0.00 177.10 171.63 3mwe s LEU 55 N -5.92 2.31 -0.05 0.60 1.43 0.25 -0.89 118.68 116.41 3mwe s LEU 55 Ca 0.64 -1.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3mwe s LEU 55 Cb -0.19 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.55 3mwe s LEU 55 CO 0.54 -0.65 -0.09 -0.69 0.23 0.00 0.00 176.35 175.68 3mwe s VAL 56 N -3.11 0.89 0.02 -1.59 1.01 0.95 -0.89 120.40 117.69 3mwe s VAL 56 Ca 0.31 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3mwe s VAL 56 Cb 0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3mwe s VAL 56 CO 0.15 0.30 -0.20 0.54 0.00 0.00 0.00 175.10 175.88 3mwe s VAL 57 N 0.65 1.58 -0.05 2.92 0.11 -0.63 -1.07 120.40 123.92 3mwe s VAL 57 Ca -0.12 -1.05 -0.29 0.00 -2.93 0.00 0.00 61.98 57.59 3mwe s VAL 57 Cb -0.14 -1.35 0.11 0.00 -1.53 0.00 0.00 36.38 33.46 3mwe s VAL 57 CO 0.02 0.27 0.91 -1.59 -3.33 0.00 0.00 175.10 171.38 3mwe s LYS 58 N -0.91 0.77 0.38 1.54 -2.85 -0.92 -0.64 119.74 117.11 3mwe s LYS 58 Ca 0.07 -0.17 -0.25 0.00 -1.00 0.00 0.00 55.97 54.62 3mwe s LYS 58 Cb -0.08 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 3mwe s LYS 58 CO 0.01 -0.31 1.09 -2.14 0.10 0.00 0.00 175.35 174.09 3mwe s PRO 59 N -2.56 4.21 -0.69 1.78 0.02 -1.26 -0.31 135.00 136.19 3mwe s PRO 59 Ca 0.03 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.73 3mwe s PRO 59 Cb -0.01 -2.68 0.17 0.00 0.02 0.00 0.00 34.50 32.01 3mwe s PRO 59 CO -0.06 -0.13 0.49 -3.47 -0.33 0.00 0.00 177.00 173.50 3mwe n ASP 60 N 0.16 2.78 -1.34 2.53 2.03 0.58 -4.80 116.55 118.50 3mwe n ASP 60 Ca 0.04 -3.16 0.03 0.00 0.52 0.00 0.00 54.79 52.22 3mwe n ASP 60 Cb 0.48 -0.74 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 3mwe n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mwe n GLN 61 N 1.99 0.00 -2.73 -0.67 6.02 -1.26 -4.81 117.38 115.92 3mwe n GLN 61 Ca 0.21 -1.82 -0.13 0.00 -0.01 0.00 0.00 57.00 55.25 3mwe n GLN 61 Cb 0.36 -0.06 0.02 0.00 1.02 0.00 0.00 30.24 31.58 3mwe n GLN 61 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3mwe n LEU 62 N 0.41 -2.25 -4.71 1.08 4.77 -1.26 -3.63 117.00 111.41 3mwe n LEU 62 Ca 0.04 -0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 3mwe n LEU 62 Cb 1.07 -1.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.10 3mwe n LEU 62 CO -0.04 0.15 -0.10 -0.63 -1.33 0.00 0.00 177.39 175.44 3mwe s ILE 63 N -2.93 5.35 0.32 -0.08 1.01 -1.26 -4.50 121.20 119.11 3mwe s ILE 63 Ca 0.19 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.20 3mwe s ILE 63 Cb -0.08 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3mwe s ILE 63 CO 0.23 0.39 0.49 -0.54 0.00 0.00 0.00 174.94 175.51 3mwe s LYS 64 N 0.64 3.41 -1.43 2.79 -0.14 -1.26 -4.48 119.74 119.28 3mwe s LYS 64 Ca 0.11 -0.53 -0.07 0.00 -1.36 0.00 0.00 55.97 54.12 3mwe s LYS 64 Cb -0.12 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.29 3mwe s LYS 64 CO 0.02 0.20 0.88 0.54 -0.76 0.00 0.00 175.35 176.24 3mwe n ARG 65 N -1.67 -6.33 -0.30 1.68 1.74 -1.26 -4.90 116.66 105.62 3mwe n ARG 65 Ca -0.05 0.85 0.01 0.00 -0.77 0.00 0.00 57.85 57.89 3mwe n ARG 65 Cb 0.57 -5.76 0.20 0.00 -1.02 0.00 0.00 32.46 26.44 3mwe n ARG 65 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mwe h ARG 66 N -2.02 1.11 0.35 5.56 3.08 -1.97 -2.08 114.38 118.42 3mwe h ARG 66 Ca -0.54 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 3mwe h ARG 66 Cb 1.36 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3mwe h ARG 66 CO 0.55 0.73 -0.17 0.78 -1.07 0.00 0.00 179.97 180.80 3mwe h GLY 67 N 1.14 -0.49 2.00 0.04 0.00 -1.92 -0.04 103.07 103.80 3mwe h GLY 67 Ca 0.34 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3mwe h GLY 67 CO -0.09 -0.18 -0.05 0.50 0.00 0.00 0.00 176.54 176.72 3mwe h LYS 68 N -0.65 0.00 -0.43 4.80 1.57 -1.88 -1.18 116.57 118.80 3mwe h LYS 68 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3mwe h LYS 68 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3mwe h LYS 68 CO 0.08 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 3mwe n LEU 69 N -4.17 2.85 -2.14 2.94 4.77 -0.80 -4.94 117.00 115.51 3mwe n LEU 69 Ca -0.03 -1.33 -0.14 0.00 -0.03 0.00 0.00 56.01 54.48 3mwe n LEU 69 Cb 0.13 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3mwe n LEU 69 CO 0.32 0.66 0.07 0.61 -1.33 0.00 0.00 177.39 177.72 3mwe n GLY 70 N 1.37 -0.01 1.32 -0.72 0.00 -0.45 -4.91 105.19 101.79 3mwe n GLY 70 Ca 0.18 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3mwe n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mwe n LEU 71 N -2.87 4.52 -4.07 0.99 4.77 -0.07 -4.92 117.00 115.35 3mwe n LEU 71 Ca -0.04 -2.73 -0.29 0.00 -0.03 0.00 0.00 56.01 52.92 3mwe n LEU 71 Cb 0.56 -0.56 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 3mwe n LEU 71 CO 0.34 0.71 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.91 3mwe s VAL 72 N -2.35 1.57 -0.25 4.08 1.01 -1.25 -4.04 120.40 119.16 3mwe s VAL 72 Ca 0.46 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 3mwe s VAL 72 Cb 0.33 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3mwe s VAL 72 CO 0.16 0.46 0.74 -0.83 0.00 0.00 0.00 175.10 175.62 3mwe s GLY 73 N 1.02 1.78 -0.15 4.51 0.00 0.19 -4.97 107.32 109.69 3mwe s GLY 73 Ca -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 3mwe s GLY 73 CO -0.02 1.64 -0.10 0.14 0.00 0.00 0.00 173.10 174.76 3mwe s VAL 74 N 2.70 3.26 -0.79 1.40 1.01 -1.26 -1.60 120.40 125.11 3mwe s VAL 74 Ca 0.31 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3mwe s VAL 74 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3mwe s VAL 74 CO 0.08 0.51 0.68 -3.20 0.00 0.00 0.00 175.10 173.17 3mwe n ASN 75 N 3.70 -4.52 -4.57 3.32 2.85 -0.06 -5.00 115.26 110.97 3mwe n ASN 75 Ca -0.18 -0.50 -0.25 0.00 -0.11 0.00 0.00 54.58 53.54 3mwe n ASN 75 Cb 0.52 -3.92 -0.10 0.00 1.24 0.00 0.00 39.78 37.53 3mwe n ASN 75 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3mwe s LEU 76 N -4.85 2.82 0.74 1.20 1.43 -0.26 -4.77 118.68 114.99 3mwe s LEU 76 Ca 0.25 -1.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.17 3mwe s LEU 76 Cb -0.03 -1.14 0.09 0.00 0.03 0.00 0.00 46.19 45.14 3mwe s LEU 76 CO 0.54 -0.20 1.05 0.42 0.23 0.00 0.00 176.35 178.39 3mwe s THR 77 N -2.57 2.22 0.53 5.49 -4.23 -1.26 0.87 115.64 116.70 3mwe s THR 77 Ca 0.33 -0.30 0.21 0.00 -1.18 0.00 0.00 61.69 60.75 3mwe s THR 77 Cb 0.01 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.25 3mwe s THR 77 CO 0.17 0.00 2.10 0.25 -0.54 0.00 0.00 174.62 176.60 3mwe h LEU 78 N -0.73 0.00 -0.00 4.79 5.85 -1.87 0.16 115.31 123.52 3mwe h LEU 78 Ca -0.43 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 3mwe h LEU 78 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3mwe h LEU 78 CO 0.53 0.00 -0.15 0.44 -0.34 0.00 0.00 178.44 178.93 3mwe h ASP 79 N 0.00 0.13 -0.14 1.25 3.32 -1.96 -2.54 116.42 116.49 3mwe h ASP 79 Ca 0.09 -0.78 0.04 0.00 0.02 0.00 0.00 57.03 56.41 3mwe h ASP 79 Cb 0.39 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3mwe h ASP 79 CO -0.00 0.89 0.11 1.23 -1.72 0.00 0.00 179.24 179.75 3mwe h GLY 80 N -0.61 0.00 0.45 2.75 0.00 -1.76 0.13 103.07 104.03 3mwe h GLY 80 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3mwe h GLY 80 CO 0.03 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.47 3mwe h VAL 81 N 0.00 1.45 -0.68 4.60 2.07 -0.71 -1.35 116.25 121.63 3mwe h VAL 81 Ca 0.07 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.31 3mwe h VAL 81 Cb 0.29 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3mwe h VAL 81 CO -0.00 0.35 0.34 0.11 0.02 0.00 0.00 177.57 178.40 3mwe h LYS 82 N -0.54 0.59 -0.53 1.57 1.57 -0.91 -0.59 116.57 117.74 3mwe h LYS 82 Ca 0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3mwe h LYS 82 Cb 0.59 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3mwe h LYS 82 CO 0.00 0.39 -0.03 1.03 -0.57 0.00 0.00 179.45 180.27 3mwe h SER 83 N 0.60 0.90 0.24 0.86 0.87 -0.80 -2.10 113.55 114.12 3mwe h SER 83 Ca 0.32 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3mwe h SER 83 Cb 0.30 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3mwe h SER 83 CO -0.24 0.97 -0.27 -0.25 -0.53 0.00 0.00 176.83 176.51 3mwe h TRP 84 N 0.84 0.07 0.00 2.24 7.01 -0.62 -3.22 115.95 122.28 3mwe h TRP 84 Ca 0.15 -0.01 -0.20 0.00 2.11 0.00 0.00 58.89 60.94 3mwe h TRP 84 Cb 0.54 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.55 3mwe h TRP 84 CO 0.03 0.34 -1.09 -0.07 -2.79 0.00 0.00 178.44 174.86 3mwe h LEU 85 N 0.06 0.00 -0.42 0.65 3.38 -0.60 -3.38 115.31 115.01 3mwe h LEU 85 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3mwe h LEU 85 Cb 0.52 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 3mwe h LEU 85 CO 0.04 0.82 -0.38 0.11 0.09 0.00 0.00 178.44 179.12 3mwe h LYS 86 N 0.00 -0.27 0.00 1.13 1.57 -1.40 0.61 116.57 118.20 3mwe h LYS 86 Ca -0.09 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3mwe h LYS 86 Cb 1.70 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.07 3mwe h LYS 86 CO 0.09 -0.18 -0.03 -1.35 -0.57 0.00 0.00 179.45 177.41 3mwe h PRO 87 N -0.28 0.00 0.00 3.15 0.11 -1.76 -3.37 132.00 129.84 3mwe h PRO 87 Ca 0.16 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.09 3mwe h PRO 87 Cb 0.56 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 3mwe h PRO 87 CO -0.57 0.03 -1.46 0.54 -0.21 0.00 0.00 178.00 176.33 3mwe n ARG 88 N -3.20 0.39 -1.67 1.05 1.74 -0.57 -4.73 116.66 109.67 3mwe n ARG 88 Ca -0.01 0.16 -0.53 0.00 -0.77 0.00 0.00 57.85 56.70 3mwe n ARG 88 Cb 0.22 -1.16 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 3mwe n ARG 88 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mwe n LEU 89 N -3.99 2.38 0.00 0.55 0.00 0.10 0.28 117.00 116.32 3mwe n LEU 89 Ca -0.25 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.83 3mwe n LEU 89 Cb 0.59 -1.22 0.00 0.00 0.00 0.00 0.00 43.42 42.79 3mwe n LEU 89 CO 0.08 -0.55 0.00 0.61 0.00 0.00 0.00 177.39 177.52 3mwe n GLY 90 N 3.63 1.59 3.90 -3.96 0.00 0.62 -4.96 105.19 106.00 3mwe n GLY 90 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3mwe n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mwe s GLN 91 N -0.22 3.64 0.45 1.61 -1.52 0.14 -4.77 119.66 119.00 3mwe s GLN 91 Ca 0.00 -0.04 -0.22 0.00 -1.95 0.00 0.00 55.36 53.15 3mwe s GLN 91 Cb 0.00 -2.75 -0.08 0.00 -0.22 0.00 0.00 33.01 29.96 3mwe s GLN 91 CO 0.00 0.35 1.09 -1.21 -0.25 0.00 0.00 175.29 175.27 3mwe s GLU 92 N -3.06 3.86 0.04 2.91 2.02 -1.26 -1.08 118.70 122.13 3mwe s GLU 92 Ca 0.43 1.56 -0.03 0.00 0.02 0.00 0.00 54.97 56.94 3mwe s GLU 92 Cb -0.11 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 3mwe s GLU 92 CO 0.26 -0.41 0.04 0.00 0.02 0.00 0.00 175.26 175.17 3mwe s ALA 93 N -1.72 0.12 -0.06 5.21 0.00 0.80 -4.86 121.76 121.25 3mwe s ALA 93 Ca 0.64 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3mwe s ALA 93 Cb -0.23 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3mwe s ALA 93 CO 0.28 -0.31 -0.15 0.99 0.00 0.00 0.00 175.76 176.56 3mwe s THR 94 N -2.80 1.33 -0.08 0.00 2.01 -1.26 -0.96 115.64 113.88 3mwe s THR 94 Ca -0.03 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 3mwe s THR 94 Cb -0.00 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.38 3mwe s THR 94 CO -0.06 0.39 0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 3mwe s VAL 95 N 0.35 -0.14 0.00 3.82 1.01 -0.11 -4.99 120.40 120.35 3mwe s VAL 95 Ca -0.10 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3mwe s VAL 95 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.95 3mwe s VAL 95 CO 0.03 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3mwe n GLY 96 N 5.30 3.11 1.56 4.51 0.00 -1.26 -2.03 105.19 116.39 3mwe n GLY 96 Ca -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3mwe n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mwe n LYS 97 N 13.84 3.99 -3.91 1.61 2.85 -1.26 -4.91 118.16 130.37 3mwe n LYS 97 Ca 0.00 -3.06 -0.35 0.00 -1.05 0.00 0.00 58.31 53.85 3mwe n LYS 97 Cb 0.00 -2.11 -0.09 0.00 -0.65 0.00 0.00 35.03 32.18 3mwe n LYS 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3mwe s ALA 98 N -2.85 3.54 -0.07 0.58 0.00 -0.86 -5.09 121.76 117.02 3mwe s ALA 98 Ca 0.51 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3mwe s ALA 98 Cb 0.40 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 3mwe s ALA 98 CO 0.13 0.22 -0.24 0.99 0.00 0.00 0.00 175.76 176.85 3mwe s THR 99 N 0.22 2.11 0.30 0.00 2.01 -1.26 -0.93 115.64 118.08 3mwe s THR 99 Ca 0.06 -1.04 -0.20 0.00 0.31 0.00 0.00 61.69 60.83 3mwe s THR 99 Cb -0.12 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.64 3mwe s THR 99 CO -0.00 0.57 0.72 -0.83 -0.69 0.00 0.00 174.62 174.38 3mwe s GLY 100 N -0.04 0.03 0.02 4.40 0.00 -0.13 -3.56 107.32 108.04 3mwe s GLY 100 Ca -0.07 -0.42 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 3mwe s GLY 100 CO 0.05 -0.16 0.82 -1.36 0.00 0.00 0.00 173.10 172.45 3mwe s PHE 101 N -3.62 3.70 -0.63 1.90 0.08 -1.26 -0.14 117.98 118.01 3mwe s PHE 101 Ca 0.12 1.52 -0.28 0.00 0.12 0.00 0.00 56.93 58.42 3mwe s PHE 101 Cb -0.06 -2.91 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 3mwe s PHE 101 CO 0.08 0.17 1.20 -0.51 -0.10 0.00 0.00 175.22 176.06 3mwe s LEU 102 N 0.34 3.42 0.00 -0.37 1.02 -0.24 -4.81 118.68 118.03 3mwe s LEU 102 Ca 0.42 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.46 3mwe s LEU 102 Cb -0.20 -2.95 0.00 0.00 0.02 0.00 0.00 46.19 43.06 3mwe s LEU 102 CO 0.24 -1.58 0.23 2.29 0.02 0.00 0.00 176.35 177.55 3mwe n LYS 103 N 8.66 -0.26 -3.71 1.70 2.85 -1.26 -0.28 118.16 125.87 3mwe n LYS 103 Ca 0.06 -0.24 -0.25 0.00 -1.05 0.00 0.00 58.31 56.83 3mwe n LYS 103 Cb 0.49 -0.69 -0.17 0.00 -0.65 0.00 0.00 35.03 34.01 3mwe n LYS 103 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3mwe s ASN 104 N -0.03 2.24 0.14 -5.58 2.47 -1.26 -4.14 114.94 108.77 3mwe s ASN 104 Ca 0.00 -0.48 0.10 0.00 0.42 0.00 0.00 52.86 52.90 3mwe s ASN 104 Cb 0.00 -0.42 -0.04 0.00 -1.45 0.00 0.00 41.25 39.34 3mwe s ASN 104 CO 0.00 -0.28 -0.24 -0.36 -3.72 0.00 0.00 177.10 172.50 3mwe s PHE 105 N 1.99 2.13 -0.12 0.43 0.40 0.41 -0.31 117.98 122.91 3mwe s PHE 105 Ca 0.02 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 3mwe s PHE 105 Cb -0.15 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.25 3mwe s PHE 105 CO -0.07 0.33 -0.23 -1.17 0.70 0.00 0.00 175.22 174.78 3mwe s LEU 106 N -2.17 2.11 -0.14 -0.37 2.96 0.58 -0.67 118.68 120.99 3mwe s LEU 106 Ca 0.13 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3mwe s LEU 106 Cb -0.09 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3mwe s LEU 106 CO 0.06 0.13 0.03 -0.63 -1.32 0.00 0.00 176.35 174.62 3mwe s ILE 107 N 0.53 4.54 0.12 6.68 1.01 -0.23 -2.17 121.20 131.67 3mwe s ILE 107 Ca -0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 3mwe s ILE 107 Cb -0.17 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3mwe s ILE 107 CO 0.05 0.52 0.02 -1.61 0.00 0.00 0.00 174.94 173.92 3mwe s GLU 108 N -0.12 0.88 0.41 2.79 2.02 -0.23 -1.12 118.70 123.33 3mwe s GLU 108 Ca 0.06 -1.40 -0.26 0.00 0.02 0.00 0.00 54.97 53.38 3mwe s GLU 108 Cb -0.12 0.14 -0.09 0.00 0.10 0.00 0.00 34.13 34.15 3mwe s GLU 108 CO 0.02 -0.20 1.33 -2.14 0.02 0.00 0.00 175.26 174.29 3mwe s PRO 109 N -3.99 3.96 0.14 0.39 0.02 -1.26 -0.03 135.00 134.22 3mwe s PRO 109 Ca 0.20 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 3mwe s PRO 109 Cb 0.07 -2.77 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 3mwe s PRO 109 CO -0.01 -0.53 1.22 0.12 -0.33 0.00 0.00 177.00 177.48 3mwe s PHE 110 N -1.24 3.41 -0.35 6.54 5.36 -0.07 -4.53 117.98 127.10 3mwe s PHE 110 Ca 0.57 1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 57.80 3mwe s PHE 110 Cb -0.39 -3.46 0.05 0.00 -0.34 0.00 0.00 43.02 38.88 3mwe s PHE 110 CO 0.51 -1.37 0.13 0.08 -1.46 0.00 0.00 175.22 173.10 3mwe s VAL 111 N 0.45 3.77 0.15 3.12 1.01 -1.26 -4.89 120.40 122.75 3mwe s VAL 111 Ca 0.56 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3mwe s VAL 111 Cb -0.32 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 3mwe s VAL 111 CO 0.33 -0.26 1.29 -2.84 0.00 0.00 0.00 175.10 173.62 3mwe s PRO 112 N 1.38 4.40 0.12 2.72 0.02 -1.26 -4.98 135.00 137.39 3mwe s PRO 112 Ca -0.00 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 62.74 3mwe s PRO 112 Cb -0.20 -3.24 0.08 0.00 0.02 0.00 0.00 34.50 31.15 3mwe s PRO 112 CO 0.02 -0.27 0.74 -3.38 -0.33 0.00 0.00 177.00 173.78 3mwe s HIS 113 N 0.50 -0.40 0.53 6.54 -3.43 -1.26 -5.05 115.29 112.71 3mwe s HIS 113 Ca 0.58 0.19 -0.01 0.00 -0.80 0.00 0.00 55.06 55.02 3mwe s HIS 113 Cb -0.35 0.57 0.02 0.00 -1.43 0.00 0.00 32.58 31.40 3mwe s HIS 113 CO 0.34 -0.78 0.77 -1.54 -2.00 0.00 0.00 174.74 171.53 3mwe s SER 114 N -2.69 5.53 0.43 7.38 1.04 -1.26 -4.98 113.70 119.15 3mwe s SER 114 Ca 0.04 0.28 0.12 0.00 0.48 0.00 0.00 55.95 56.88 3mwe s SER 114 Cb -0.02 -1.32 0.95 0.00 0.10 0.00 0.00 66.02 65.74 3mwe s SER 114 CO -0.08 -0.98 1.99 -0.61 0.98 0.00 0.00 173.24 174.54 3mwe h GLN 115 N 0.11 0.12 0.00 4.02 5.75 -2.01 -1.89 115.11 121.21 3mwe h GLN 115 Ca -0.45 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3mwe h GLN 115 Cb 1.27 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.80 3mwe h GLN 115 CO 0.56 0.24 0.00 0.00 -2.65 0.00 0.00 178.83 176.98 3mwe n ALA 116 N -2.50 2.54 -0.49 3.38 0.00 -1.26 -2.40 120.51 119.78 3mwe n ALA 116 Ca -0.02 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.35 3mwe n ALA 116 Cb 0.22 -1.40 0.24 0.00 0.00 0.00 0.00 19.45 18.51 3mwe n ALA 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mwe n GLU 117 N -0.93 3.08 -4.31 0.00 1.02 -0.71 -4.94 120.64 113.85 3mwe n GLU 117 Ca 0.19 -2.48 -0.35 0.00 -0.02 0.00 0.00 57.16 54.49 3mwe n GLU 117 Cb 0.09 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 3mwe n GLU 117 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3mwe s GLU 118 N -1.63 3.05 0.16 3.49 2.02 -1.01 -1.92 118.70 122.86 3mwe s GLU 118 Ca 0.36 -0.37 -0.00 0.00 0.02 0.00 0.00 54.97 54.97 3mwe s GLU 118 Cb 0.23 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 3mwe s GLU 118 CO 0.18 0.71 0.06 -0.06 0.02 0.00 0.00 175.26 176.17 3mwe s PHE 119 N -0.89 1.00 -0.11 1.61 0.08 0.12 -2.80 117.98 116.99 3mwe s PHE 119 Ca 0.13 -1.23 0.03 0.00 0.12 0.00 0.00 56.93 55.98 3mwe s PHE 119 Cb -0.11 -0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 41.78 3mwe s PHE 119 CO 0.02 -0.49 -0.21 -0.47 -0.10 0.00 0.00 175.22 173.98 3mwe s TYR 120 N -3.99 2.63 -0.01 0.36 5.04 -0.14 -0.77 117.35 120.47 3mwe s TYR 120 Ca 0.27 -0.96 0.02 0.00 -2.44 0.00 0.00 57.07 53.97 3mwe s TYR 120 Cb 0.07 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.62 3mwe s TYR 120 CO 0.05 -0.38 -0.07 0.08 -1.34 0.00 0.00 175.55 173.89 3mwe s VAL 121 N 0.37 0.56 -0.05 3.14 1.01 -0.90 -1.95 120.40 122.58 3mwe s VAL 121 Ca -0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3mwe s VAL 121 Cb -0.17 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3mwe s VAL 121 CO 0.08 0.16 0.29 0.00 0.00 0.00 0.00 175.10 175.63 3mwe s ILE 123 N -0.76 0.91 -0.01 0.00 1.01 0.45 0.20 121.20 123.01 3mwe s ILE 123 Ca -0.08 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 3mwe s ILE 123 Cb -0.04 -0.79 0.04 0.00 0.01 0.00 0.00 42.46 41.67 3mwe s ILE 123 CO 0.03 0.27 0.41 -0.72 0.00 0.00 0.00 174.94 174.92 3mwe s TYR 124 N 0.02 -0.29 0.15 3.97 -0.85 -0.59 -1.05 117.35 118.71 3mwe s TYR 124 Ca -0.01 0.43 -0.17 0.00 -0.52 0.00 0.00 57.07 56.80 3mwe s TYR 124 Cb -0.08 0.19 -0.07 0.00 0.38 0.00 0.00 41.96 42.38 3mwe s TYR 124 CO 0.00 -0.48 0.60 0.00 -1.52 0.00 0.00 175.55 174.16 3mwe s ALA 125 N -1.57 3.54 0.27 9.51 0.00 -0.13 -1.01 121.76 132.37 3mwe s ALA 125 Ca -0.11 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3mwe s ALA 125 Cb -0.03 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 3mwe s ALA 125 CO 0.04 0.41 0.20 0.95 0.00 0.00 0.00 175.76 177.36 3mwe s THR 126 N -1.40 0.03 0.28 0.00 -4.23 0.86 -4.95 115.64 106.23 3mwe s THR 126 Ca 0.37 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3mwe s THR 126 Cb -0.16 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.45 3mwe s THR 126 CO 0.20 0.00 1.88 -0.09 -0.54 0.00 0.00 174.62 176.07 3mwe h ARG 127 N 2.37 1.07 -0.07 3.99 2.43 -2.03 -1.50 114.38 120.63 3mwe h ARG 127 Ca -0.31 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3mwe h ARG 127 Cb 1.24 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3mwe h ARG 127 CO 0.45 0.71 0.00 -0.85 -1.51 0.00 0.00 179.97 178.77 3mwe n GLU 128 N -4.51 1.39 0.00 0.20 0.00 -1.26 -4.93 120.64 111.53 3mwe n GLU 128 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 57.16 56.73 3mwe n GLU 128 Cb 0.22 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.28 3mwe n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mwe n GLY 129 N 1.00 0.75 3.48 -1.84 0.00 -0.57 -3.72 105.19 104.30 3mwe n GLY 129 Ca 0.16 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 3mwe n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mwe s ASP 130 N -4.00 4.86 0.05 1.61 1.01 -0.47 -0.10 116.67 119.63 3mwe s ASP 130 Ca 0.00 -0.15 -0.22 0.00 0.71 0.00 0.00 52.55 52.89 3mwe s ASP 130 Cb 0.00 -1.81 -0.06 0.00 1.01 0.00 0.00 42.92 42.06 3mwe s ASP 130 CO 0.00 0.12 0.67 -0.31 0.21 0.00 0.00 175.17 175.87 3mwe s TYR 131 N 0.64 3.76 -0.19 4.23 1.51 -0.18 0.03 117.35 127.14 3mwe s TYR 131 Ca -0.01 1.37 -0.04 0.00 -1.01 0.00 0.00 57.07 57.37 3mwe s TYR 131 Cb -0.14 -2.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.01 3mwe s TYR 131 CO 0.02 0.39 -0.03 0.08 -1.11 0.00 0.00 175.55 174.91 3mwe s VAL 132 N -0.46 3.70 -0.06 0.71 1.01 0.79 -1.54 120.40 124.54 3mwe s VAL 132 Ca 0.34 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3mwe s VAL 132 Cb -0.20 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3mwe s VAL 132 CO 0.21 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.89 3mwe s LEU 133 N 1.00 2.96 -0.02 3.92 1.02 0.13 -1.39 118.68 126.31 3mwe s LEU 133 Ca 0.01 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.06 3mwe s LEU 133 Cb -0.15 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.45 3mwe s LEU 133 CO 0.01 0.35 -0.02 0.12 0.02 0.00 0.00 176.35 176.83 3mwe s PHE 134 N -0.72 0.31 0.03 0.29 2.19 -0.82 -2.19 117.98 117.05 3mwe s PHE 134 Ca 0.11 -0.03 0.04 0.00 0.33 0.00 0.00 56.93 57.38 3mwe s PHE 134 Cb -0.11 -0.30 -0.02 0.00 -1.31 0.00 0.00 43.02 41.28 3mwe s PHE 134 CO 0.01 -0.07 -0.13 -1.58 1.83 0.00 0.00 175.22 175.28 3mwe s HIS 135 N 0.48 1.17 -1.66 10.12 2.46 -0.82 -0.88 115.29 126.15 3mwe s HIS 135 Ca -0.05 -0.32 0.30 0.00 0.47 0.00 0.00 55.06 55.46 3mwe s HIS 135 Cb -0.08 -0.71 1.49 0.00 -0.13 0.00 0.00 32.58 33.16 3mwe s HIS 135 CO -0.01 0.02 2.02 -2.39 -2.47 0.00 0.00 174.74 171.90 3mwe n HIS 136 N 2.11 0.00 -4.02 3.88 1.44 -1.26 -0.96 115.22 116.40 3mwe n HIS 136 Ca -0.17 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.23 3mwe n HIS 136 Cb 0.55 -0.18 -0.16 0.00 0.12 0.00 0.00 29.99 30.32 3mwe n HIS 136 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3mwe s GLU 137 N -2.39 2.28 0.10 -1.40 2.02 -1.26 -4.71 118.70 113.34 3mwe s GLU 137 Ca 0.33 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3mwe s GLU 137 Cb 0.21 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3mwe s GLU 137 CO 0.44 -0.32 0.02 0.41 0.02 0.00 0.00 175.26 175.83 3mwe n GLY 138 N 4.71 3.78 3.36 -1.39 0.00 -1.12 -4.50 105.19 110.02 3mwe n GLY 138 Ca -0.16 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.63 3mwe n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 139 N 3.80 -1.77 0.17 -0.02 0.00 -1.26 -4.16 105.19 101.94 3mwe n GLY 139 Ca -0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 3mwe n GLY 139 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mwe h VAL 140 N 0.00 0.63 -0.34 1.61 -1.51 -1.99 -2.31 116.25 112.34 3mwe h VAL 140 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3mwe h VAL 140 Cb 0.00 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3mwe h VAL 140 CO 0.00 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 176.82 3mwe n ASP 141 N -5.27 2.85 -0.34 4.19 8.00 -1.26 -4.25 116.55 120.47 3mwe n ASP 141 Ca 0.03 -2.27 0.17 0.00 0.71 0.00 0.00 54.79 53.43 3mwe n ASP 141 Cb 0.23 -0.45 0.39 0.00 -0.02 0.00 0.00 41.12 41.27 3mwe n ASP 141 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3mwe h VAL 142 N 2.16 0.59 0.00 2.53 3.04 -1.57 -3.48 116.25 119.52 3mwe h VAL 142 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3mwe h VAL 142 Cb 0.94 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 3mwe h VAL 142 CO 0.14 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.42 3mwe n GLY 143 N -1.35 -0.21 2.97 3.17 0.00 -1.26 -4.38 105.19 104.12 3mwe n GLY 143 Ca 0.25 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3mwe n GLY 143 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mwe n ASP 144 N 1.72 3.03 -0.29 1.61 -0.08 -1.26 -4.76 116.55 116.52 3mwe n ASP 144 Ca 0.00 -2.74 0.14 0.00 -1.51 0.00 0.00 54.79 50.68 3mwe n ASP 144 Cb 0.00 -1.32 0.39 0.00 2.34 0.00 0.00 41.12 42.53 3mwe n ASP 144 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3mwe h VAL 145 N 4.32 0.77 0.00 5.18 3.04 -1.99 -0.67 116.25 126.90 3mwe h VAL 145 Ca 0.48 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.93 3mwe h VAL 145 Cb 0.66 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.99 3mwe h VAL 145 CO 1.93 0.12 -0.06 0.44 -1.01 0.00 0.00 177.57 178.99 3mwe h ASP 146 N 0.66 0.00 1.25 3.17 3.32 -1.95 0.83 116.42 123.70 3mwe h ASP 146 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3mwe h ASP 146 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3mwe h ASP 146 CO -0.24 0.06 -0.57 0.00 -1.72 0.00 0.00 179.24 176.77 3mwe h ALA 147 N 1.94 0.69 0.00 3.45 0.00 -1.52 -3.39 119.26 120.42 3mwe h ALA 147 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3mwe h ALA 147 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3mwe h ALA 147 CO 0.01 0.00 -2.15 1.63 0.00 0.00 0.00 179.25 178.74 3mwe n LYS 148 N -2.60 1.01 -2.20 0.00 5.02 -0.55 -5.02 118.16 113.82 3mwe n LYS 148 Ca 0.02 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 3mwe n LYS 148 Cb 0.51 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 3mwe n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mwe s ALA 149 N -2.41 3.16 0.38 7.82 0.00 0.18 -4.98 121.76 125.91 3mwe s ALA 149 Ca -0.16 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 3mwe s ALA 149 Cb 0.06 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 3mwe s ALA 149 CO 0.60 -0.66 1.49 -0.65 0.00 0.00 0.00 175.76 176.54 3mwe s GLN 150 N -2.32 4.07 -0.01 0.00 -1.52 -0.06 -4.86 119.66 114.97 3mwe s GLN 150 Ca 0.58 2.57 0.05 0.00 -1.95 0.00 0.00 55.36 56.61 3mwe s GLN 150 Cb -0.33 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.50 3mwe s GLN 150 CO 0.42 -0.56 -0.16 0.15 -0.25 0.00 0.00 175.29 174.89 3mwe s LYS 151 N -2.13 1.28 -0.05 2.91 1.02 -1.26 -1.95 119.74 119.56 3mwe s LYS 151 Ca 0.53 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 3mwe s LYS 151 Cb -0.46 -1.25 0.03 0.00 -0.52 0.00 0.00 37.83 35.63 3mwe s LYS 151 CO 0.63 0.34 0.01 -1.17 -0.92 0.00 0.00 175.35 174.24 3mwe s LEU 152 N -0.47 0.77 -0.27 3.17 2.96 -0.48 -4.96 118.68 119.40 3mwe s LEU 152 Ca 0.06 -0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.73 3mwe s LEU 152 Cb -0.06 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.31 3mwe s LEU 152 CO -0.00 -0.16 0.66 -0.22 -1.32 0.00 0.00 176.35 175.30 3mwe s LEU 153 N 1.58 4.09 -0.55 -0.68 2.96 -1.26 -0.15 118.68 124.66 3mwe s LEU 153 Ca -0.02 0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 54.30 3mwe s LEU 153 Cb -0.13 -2.88 0.05 0.00 0.50 0.00 0.00 46.19 43.72 3mwe s LEU 153 CO -0.03 -0.43 0.89 -0.69 -1.32 0.00 0.00 176.35 174.77 3mwe s VAL 154 N 2.60 4.46 0.92 1.68 1.01 0.10 -4.94 120.40 126.23 3mwe s VAL 154 Ca 0.27 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 3mwe s VAL 154 Cb -0.15 -4.51 0.15 0.00 0.00 0.00 0.00 36.38 31.86 3mwe s VAL 154 CO 0.10 -1.09 1.13 -0.83 0.00 0.00 0.00 175.10 174.41 3mwe s GLY 155 N 2.89 1.67 -0.20 4.51 0.00 -1.26 -1.37 107.32 113.55 3mwe s GLY 155 Ca 0.27 0.49 -0.35 0.00 0.00 0.00 0.00 44.72 45.13 3mwe s GLY 155 CO 0.17 0.92 1.95 -0.62 0.00 0.00 0.00 173.10 175.52 3mwe n VAL 156 N -4.21 0.42 -1.50 1.40 0.31 -1.24 -0.91 118.33 112.60 3mwe n VAL 156 Ca 0.11 -0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 3mwe n VAL 156 Cb 0.52 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.69 3mwe n VAL 156 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3mwe n ASP 157 N 7.47 -4.29 -5.01 4.52 2.03 -1.26 -5.01 116.55 115.00 3mwe n ASP 157 Ca 0.28 0.24 -0.17 0.00 0.52 0.00 0.00 54.79 55.66 3mwe n ASP 157 Cb 0.25 -2.94 0.01 0.00 -0.72 0.00 0.00 41.12 37.72 3mwe n ASP 157 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3mwe s GLU 158 N -3.27 2.79 0.05 -0.67 0.41 -0.08 -5.13 118.70 112.80 3mwe s GLU 158 Ca 0.00 -1.22 0.02 0.00 -0.41 0.00 0.00 54.97 53.36 3mwe s GLU 158 Cb 0.00 -2.74 -0.04 0.00 -1.78 0.00 0.00 34.13 29.57 3mwe s GLU 158 CO 0.00 -0.32 0.05 0.15 -0.49 0.00 0.00 175.26 174.65 3mwe s LYS 159 N -4.39 2.83 -0.45 1.61 -0.14 -1.26 -4.81 119.74 113.13 3mwe s LYS 159 Ca 0.55 -0.66 -0.28 0.00 -1.36 0.00 0.00 55.97 54.23 3mwe s LYS 159 Cb -0.10 -2.70 0.03 0.00 -1.68 0.00 0.00 37.83 33.37 3mwe s LYS 159 CO 0.34 0.59 1.05 -1.17 -0.76 0.00 0.00 175.35 175.39 3mwe s LEU 160 N -2.05 3.81 -0.19 3.17 2.96 -1.26 -4.90 118.68 120.21 3mwe s LEU 160 Ca 0.25 0.42 -0.28 0.00 -0.22 0.00 0.00 54.13 54.30 3mwe s LEU 160 Cb -0.12 -3.41 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 3mwe s LEU 160 CO 0.17 -1.12 0.96 0.21 -1.32 0.00 0.00 176.35 175.24 3mwe s ASN 161 N 2.28 7.07 0.49 3.68 3.84 -1.26 -4.93 114.94 126.11 3mwe s ASN 161 Ca 0.43 1.33 0.17 0.00 0.21 0.00 0.00 52.86 55.00 3mwe s ASN 161 Cb -0.09 -2.51 1.21 0.00 -0.55 0.00 0.00 41.25 39.31 3mwe s ASN 161 CO 0.28 -0.54 2.06 -0.65 -2.79 0.00 0.00 177.10 175.46 3mwe h PRO 162 N 7.37 0.15 0.00 0.43 0.11 -1.97 -1.24 132.00 136.84 3mwe h PRO 162 Ca -0.25 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.73 3mwe h PRO 162 Cb 1.10 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3mwe h PRO 162 CO 0.90 0.10 -0.60 1.05 -0.21 0.00 0.00 178.00 179.25 3mwe h GLU 163 N 0.15 0.00 -0.76 1.05 4.11 -1.99 -1.52 114.58 115.63 3mwe h GLU 163 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.54 3mwe h GLU 163 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3mwe h GLU 163 CO -0.02 0.60 0.31 -0.44 0.07 0.00 0.00 179.01 179.53 3mwe h ASP 164 N 0.00 1.04 0.09 3.06 3.32 -1.65 0.35 116.42 122.63 3mwe h ASP 164 Ca -0.01 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3mwe h ASP 164 Cb 1.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3mwe h ASP 164 CO 0.08 0.92 -0.08 0.40 -1.72 0.00 0.00 179.24 178.84 3mwe h ILE 165 N 1.09 0.83 -0.28 0.35 2.04 -0.86 0.35 117.51 121.03 3mwe h ILE 165 Ca 0.25 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.03 3mwe h ILE 165 Cb 0.20 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3mwe h ILE 165 CO -0.02 0.00 -0.16 0.11 0.00 0.00 0.00 178.15 178.08 3mwe h LYS 166 N -0.18 0.60 0.00 2.37 1.57 -1.20 0.06 116.57 119.79 3mwe h LYS 166 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3mwe h LYS 166 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3mwe h LYS 166 CO -0.02 0.85 -0.87 0.87 -0.57 0.00 0.00 179.45 179.72 3mwe h LYS 167 N 0.33 0.00 0.00 3.15 1.57 -0.24 -3.33 116.57 118.06 3mwe h LYS 167 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3mwe h LYS 167 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3mwe h LYS 167 CO 0.05 0.00 -0.64 1.58 -0.57 0.00 0.00 179.45 179.87 3mwe n HIS 168 N -2.69 0.00 -0.22 -1.35 -0.00 0.12 -4.64 115.22 106.43 3mwe n HIS 168 Ca 0.01 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.12 3mwe n HIS 168 Cb 0.54 -0.22 0.03 0.00 -0.12 0.00 0.00 29.99 30.23 3mwe n HIS 168 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3mwe h LEU 169 N -0.35 0.86 -2.52 0.27 3.38 -1.10 -3.20 115.31 112.65 3mwe h LEU 169 Ca -0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3mwe h LEU 169 Cb 0.56 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3mwe h LEU 169 CO -0.04 0.79 0.00 0.18 0.09 0.00 0.00 178.44 179.46 3mwe n LEU 170 N -4.44 3.72 -0.41 1.67 4.77 -0.04 -4.56 117.00 117.72 3mwe n LEU 170 Ca 0.04 -1.86 0.35 0.00 -0.03 0.00 0.00 56.01 54.51 3mwe n LEU 170 Cb 0.16 -0.47 0.67 0.00 -2.33 0.00 0.00 43.42 41.46 3mwe n LEU 170 CO 0.39 0.84 1.30 -0.37 -1.33 0.00 0.00 177.39 178.22 3mwe h VAL 171 N 3.79 0.31 -0.16 4.08 -1.51 -1.67 0.54 116.25 121.63 3mwe h VAL 171 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3mwe h VAL 171 Cb 0.99 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 3mwe h VAL 171 CO 0.06 0.02 0.00 1.41 -1.23 0.00 0.00 177.57 177.83 3mwe n HIS 172 N -4.39 0.19 -2.50 5.19 8.25 -1.26 -5.00 115.22 115.69 3mwe n HIS 172 Ca 0.31 -0.11 -0.33 0.00 -0.26 0.00 0.00 57.72 57.33 3mwe n HIS 172 Cb 1.31 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.38 3mwe n HIS 172 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mwe s ALA 173 N -1.57 2.98 0.26 -1.41 0.00 0.18 -4.88 121.76 117.32 3mwe s ALA 173 Ca 0.28 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 3mwe s ALA 173 Cb 0.18 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 20.01 3mwe s ALA 173 CO 0.27 -0.21 1.53 -2.30 0.00 0.00 0.00 175.76 175.04 3mwe n PRO 174 N -1.25 2.40 0.19 0.00 -0.02 -1.26 -4.86 135.00 130.20 3mwe n PRO 174 Ca 0.07 0.86 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 3mwe n PRO 174 Cb 0.54 -2.59 0.54 0.00 -0.02 0.00 0.00 33.50 31.97 3mwe n PRO 174 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3mwe h GLU 175 N 4.74 0.13 0.00 -0.52 4.57 -1.95 -1.11 114.58 120.44 3mwe h GLU 175 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3mwe h GLU 175 Cb 1.25 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3mwe h GLU 175 CO 0.79 0.15 0.00 -0.40 -1.18 0.00 0.00 179.01 178.37 3mwe n ASP 176 N -4.46 0.00 -0.20 1.04 5.68 -1.26 -3.09 116.55 114.26 3mwe n ASP 176 Ca -0.01 -0.64 0.03 0.00 -0.50 0.00 0.00 54.79 53.67 3mwe n ASP 176 Cb 0.13 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 40.01 3mwe n ASP 176 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mwe n LYS 177 N -1.11 1.41 -0.16 0.11 5.02 -0.44 -4.68 118.16 118.31 3mwe n LYS 177 Ca 0.20 -0.65 -0.04 0.00 -2.02 0.00 0.00 58.31 55.79 3mwe n LYS 177 Cb 0.16 -1.03 0.15 0.00 -0.02 0.00 0.00 35.03 34.28 3mwe n LYS 177 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3mwe h LYS 178 N 0.97 0.91 -0.29 1.97 1.57 -1.44 -1.22 116.57 119.05 3mwe h LYS 178 Ca 0.00 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 3mwe h LYS 178 Cb 0.25 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3mwe h LYS 178 CO 0.00 0.83 -0.40 0.93 -0.57 0.00 0.00 179.45 180.23 3mwe h GLU 179 N 0.87 0.78 -0.07 3.15 4.39 -1.83 -0.86 114.58 121.02 3mwe h GLU 179 Ca 0.19 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 3mwe h GLU 179 Cb 0.34 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3mwe h GLU 179 CO 0.00 1.08 -0.05 0.97 -1.16 0.00 0.00 179.01 179.85 3mwe h ILE 180 N 0.54 1.36 -0.54 3.13 2.10 -1.85 -1.61 117.51 120.64 3mwe h ILE 180 Ca 0.03 -1.16 0.07 0.00 1.08 0.00 0.00 64.86 64.88 3mwe h ILE 180 Cb 1.00 1.99 -0.06 0.00 -1.09 0.00 0.00 36.82 38.65 3mwe h ILE 180 CO 0.09 0.32 0.20 -0.07 -1.08 0.00 0.00 178.15 177.61 3mwe h LEU 181 N -0.26 0.20 -0.89 2.19 3.38 -1.28 -0.23 115.31 118.43 3mwe h LEU 181 Ca 0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mwe h LEU 181 Cb 0.54 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3mwe h LEU 181 CO 0.01 0.14 0.39 0.00 0.09 0.00 0.00 178.44 179.08 3mwe h ALA 182 N 1.36 1.13 -0.49 1.53 0.00 -1.08 -0.76 119.26 120.95 3mwe h ALA 182 Ca 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3mwe h ALA 182 Cb 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3mwe h ALA 182 CO -0.26 0.65 0.18 0.77 0.00 0.00 0.00 179.25 180.59 3mwe h SER 183 N 1.18 0.69 -0.22 0.00 0.02 -0.69 -2.38 113.55 112.16 3mwe h SER 183 Ca 0.28 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3mwe h SER 183 Cb 0.12 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3mwe h SER 183 CO -0.04 0.69 0.12 0.15 -1.14 0.00 0.00 176.83 176.62 3mwe h PHE 184 N 0.66 0.31 -0.65 3.45 3.57 -0.48 -2.34 116.94 121.46 3mwe h PHE 184 Ca 0.16 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3mwe h PHE 184 Cb 0.23 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3mwe h PHE 184 CO 0.01 0.28 0.15 0.82 -2.23 0.00 0.00 178.31 177.33 3mwe h ILE 185 N 0.25 1.25 -0.21 1.41 2.04 -1.12 0.49 117.51 121.62 3mwe h ILE 185 Ca 0.08 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3mwe h ILE 185 Cb 0.08 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3mwe h ILE 185 CO -0.01 0.36 0.04 0.28 0.00 0.00 0.00 178.15 178.81 3mwe h SER 186 N 0.97 0.01 -0.55 1.72 0.02 -1.31 -0.63 113.55 113.78 3mwe h SER 186 Ca 0.20 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3mwe h SER 186 Cb 0.36 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3mwe h SER 186 CO 0.00 0.04 -0.11 1.23 -1.14 0.00 0.00 176.83 176.85 3mwe h GLY 187 N 0.12 1.13 0.76 -3.77 0.00 -0.87 -2.62 103.07 97.83 3mwe h GLY 187 Ca 0.10 -0.92 0.06 0.00 0.00 0.00 0.00 47.33 46.57 3mwe h GLY 187 CO -0.13 0.84 0.58 -2.00 0.00 0.00 0.00 176.54 175.84 3mwe h LEU 188 N 0.93 0.94 -0.62 3.11 5.85 0.28 -2.02 115.31 123.77 3mwe h LEU 188 Ca 0.14 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 3mwe h LEU 188 Cb 0.68 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3mwe h LEU 188 CO 0.05 0.61 -0.55 0.15 -0.34 0.00 0.00 178.44 178.36 3mwe h PHE 189 N 1.08 0.51 -0.48 1.25 3.57 -0.91 0.71 116.94 122.66 3mwe h PHE 189 Ca 0.39 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 3mwe h PHE 189 Cb 0.13 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3mwe h PHE 189 CO -0.02 0.87 -0.17 -0.91 -2.23 0.00 0.00 178.31 175.84 3mwe h ASN 190 N 0.32 0.97 -0.23 0.41 2.35 -1.22 -0.01 115.58 118.16 3mwe h ASN 190 Ca 0.01 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 3mwe h ASN 190 Cb 1.06 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 3mwe h ASN 190 CO 0.09 1.12 0.01 0.15 -1.65 0.00 0.00 177.43 177.15 3mwe h PHE 191 N 0.84 0.43 -0.40 1.19 3.57 -1.17 0.15 116.94 121.55 3mwe h PHE 191 Ca 0.12 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3mwe h PHE 191 Cb 0.73 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 3mwe h PHE 191 CO 0.05 0.56 0.04 -0.92 -2.23 0.00 0.00 178.31 175.81 3mwe h TYR 192 N 0.18 0.04 -0.35 0.41 5.03 -0.71 -0.75 116.97 120.82 3mwe h TYR 192 Ca 0.07 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.24 3mwe h TYR 192 Cb 0.39 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.70 3mwe h TYR 192 CO 0.03 -0.04 -0.42 1.49 -1.32 0.00 0.00 178.16 177.90 3mwe h GLU 193 N 0.15 0.90 -0.22 1.82 4.81 -0.84 -1.70 114.58 119.50 3mwe h GLU 193 Ca 0.20 -0.50 -0.15 0.00 -0.13 0.00 0.00 59.36 58.78 3mwe h GLU 193 Cb 0.27 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3mwe h GLU 193 CO -0.30 1.15 -0.48 0.22 -0.73 0.00 0.00 179.01 178.87 3mwe h ASP 194 N 0.70 0.62 -0.50 1.04 3.58 -0.34 -2.87 116.42 118.65 3mwe h ASP 194 Ca 0.05 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3mwe h ASP 194 Cb 1.02 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.89 3mwe h ASP 194 CO 0.10 1.01 0.00 0.18 -2.88 0.00 0.00 179.24 177.65 3mwe n LEU 195 N -3.99 4.61 -3.84 2.28 4.32 -0.32 -4.95 117.00 115.11 3mwe n LEU 195 Ca -0.03 -2.33 -0.27 0.00 -0.02 0.00 0.00 56.01 53.36 3mwe n LEU 195 Cb 0.57 -0.61 0.03 0.00 -1.62 0.00 0.00 43.42 41.78 3mwe n LEU 195 CO 0.46 0.61 0.02 -1.22 -1.22 0.00 0.00 177.39 176.05 3mwe n TYR 196 N 0.67 -2.11 -1.55 -1.77 4.02 -1.09 -4.81 117.16 110.53 3mwe n TYR 196 Ca 0.23 0.87 -0.32 0.00 -0.01 0.00 0.00 57.90 58.67 3mwe n TYR 196 Cb 0.94 -4.11 0.06 0.00 -0.02 0.00 0.00 39.34 36.21 3mwe n TYR 196 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3mwe s PHE 197 N -3.48 2.67 0.00 -0.72 0.08 -0.66 -1.10 117.98 114.77 3mwe s PHE 197 Ca 0.38 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.97 3mwe s PHE 197 Cb -0.19 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 3mwe s PHE 197 CO 0.83 -1.66 0.02 0.25 -0.10 0.00 0.00 175.22 174.55 3mwe n THR 198 N -2.93 0.00 -3.64 0.64 -2.24 -0.74 -4.75 114.28 100.62 3mwe n THR 198 Ca 0.09 -0.29 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 3mwe n THR 198 Cb 0.53 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 3mwe n THR 198 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3mwe s TYR 199 N -0.55 -1.16 -0.24 4.78 5.04 -1.15 -0.95 117.35 123.12 3mwe s TYR 199 Ca 0.00 2.20 -0.03 0.00 -2.44 0.00 0.00 57.07 56.80 3mwe s TYR 199 Cb 0.00 0.69 0.13 0.00 0.35 0.00 0.00 41.96 43.13 3mwe s TYR 199 CO 0.00 -0.58 0.39 -1.17 -1.34 0.00 0.00 175.55 172.86 3mwe s LEU 200 N 2.06 -0.67 -0.06 6.97 2.96 -0.21 -0.66 118.68 129.06 3mwe s LEU 200 Ca -0.09 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3mwe s LEU 200 Cb -0.07 1.20 0.00 0.00 0.50 0.00 0.00 46.19 47.82 3mwe s LEU 200 CO -0.20 -0.29 -0.18 -0.70 -1.32 0.00 0.00 176.35 173.67 3mwe s GLU 201 N 2.57 2.07 -0.17 1.98 2.12 0.40 -0.41 118.70 127.26 3mwe s GLU 201 Ca 0.11 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.80 3mwe s GLU 201 Cb -0.15 -1.71 0.04 0.00 0.26 0.00 0.00 34.13 32.56 3mwe s GLU 201 CO -0.16 0.20 -0.09 0.42 -0.54 0.00 0.00 175.26 175.09 3mwe s ILE 202 N 0.21 1.40 -0.29 -3.70 1.01 0.16 -1.17 121.20 118.82 3mwe s ILE 202 Ca -0.09 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3mwe s ILE 202 Cb -0.14 -1.47 0.18 0.00 0.01 0.00 0.00 42.46 41.04 3mwe s ILE 202 CO 0.04 0.23 0.52 0.21 0.00 0.00 0.00 174.94 175.94 3mwe s ASN 203 N 1.52 -0.81 0.21 3.58 2.47 -0.95 -2.11 114.94 118.85 3mwe s ASN 203 Ca 0.01 -0.07 -0.05 0.00 0.42 0.00 0.00 52.86 53.18 3mwe s ASN 203 Cb -0.15 1.65 -0.05 0.00 -1.45 0.00 0.00 41.25 41.25 3mwe s ASN 203 CO -0.09 -0.32 0.46 -2.16 -3.72 0.00 0.00 177.10 171.27 3mwe s PRO 204 N 2.69 3.63 -0.02 0.43 0.04 -1.26 -4.59 135.00 135.92 3mwe s PRO 204 Ca 0.10 -0.06 -0.26 0.00 0.04 0.00 0.00 61.00 60.81 3mwe s PRO 204 Cb -0.11 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3mwe s PRO 204 CO -0.27 0.36 0.82 -1.17 0.04 0.00 0.00 177.00 176.78 3mwe s LEU 205 N -3.08 4.36 -0.09 -3.56 2.96 0.05 -3.26 118.68 116.05 3mwe s LEU 205 Ca 0.42 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.76 3mwe s LEU 205 Cb -0.11 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 3mwe s LEU 205 CO 0.27 -0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.32 3mwe s VAL 206 N 0.78 3.12 -0.18 1.68 1.01 -0.34 0.11 120.40 126.58 3mwe s VAL 206 Ca 0.44 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 3mwe s VAL 206 Cb -0.19 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 33.96 3mwe s VAL 206 CO 0.23 0.56 -0.05 -0.69 0.00 0.00 0.00 175.10 175.14 3mwe s VAL 207 N -0.16 1.19 0.26 2.92 1.01 -0.81 0.10 120.40 124.91 3mwe s VAL 207 Ca -0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3mwe s VAL 207 Cb -0.13 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3mwe s VAL 207 CO 0.03 0.09 0.12 0.35 0.00 0.00 0.00 175.10 175.69 3mwe n THR 208 N 4.84 0.00 0.31 3.92 -2.24 -0.64 -4.73 114.28 115.73 3mwe n THR 208 Ca -0.12 -1.13 0.19 0.00 -2.27 0.00 0.00 64.05 60.73 3mwe n THR 208 Cb 0.47 -0.05 1.04 0.00 -2.10 0.00 0.00 70.33 69.68 3mwe n THR 208 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mwe h LYS 209 N 0.00 0.00 -0.00 -0.78 2.10 -2.00 -2.11 116.57 113.78 3mwe h LYS 209 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 3mwe h LYS 209 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 3mwe h LYS 209 CO 0.30 0.00 -0.61 -0.25 -2.00 0.00 0.00 179.45 176.89 3mwe n ASP 210 N -3.26 0.98 0.00 7.07 8.00 -1.26 -5.06 116.55 123.02 3mwe n ASP 210 Ca -0.02 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3mwe n ASP 210 Cb 0.18 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 3mwe n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mwe n GLY 211 N 1.46 0.74 3.72 0.44 0.00 -0.79 -4.88 105.19 105.88 3mwe n GLY 211 Ca 0.07 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3mwe n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwe s VAL 212 N -1.44 5.30 -0.11 1.61 1.01 -0.61 -1.62 120.40 124.53 3mwe s VAL 212 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3mwe s VAL 212 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3mwe s VAL 212 CO 0.00 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.96 3mwe s TYR 213 N 0.53 2.64 -0.81 5.22 1.51 0.11 -0.95 117.35 125.61 3mwe s TYR 213 Ca 0.16 -0.94 -0.18 0.00 -1.01 0.00 0.00 57.07 55.11 3mwe s TYR 213 Cb -0.13 -1.75 0.15 0.00 -0.11 0.00 0.00 41.96 40.11 3mwe s TYR 213 CO 0.04 -0.37 0.92 0.08 -1.11 0.00 0.00 175.55 175.11 3mwe s VAL 214 N 0.37 4.98 0.11 0.71 1.01 -1.26 -1.20 120.40 125.12 3mwe s VAL 214 Ca -0.16 -1.64 0.09 0.00 0.00 0.00 0.00 61.98 60.27 3mwe s VAL 214 Cb -0.17 -4.62 -0.15 0.00 0.00 0.00 0.00 36.38 31.44 3mwe s VAL 214 CO 0.08 -1.28 1.36 -0.07 0.00 0.00 0.00 175.10 175.18 3mwe h LEU 215 N 9.61 0.00 -7.23 3.92 4.07 -1.94 -3.45 115.31 120.28 3mwe h LEU 215 Ca 0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 3mwe h LEU 215 Cb 1.05 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.52 3mwe h LEU 215 CO 1.01 0.88 -0.30 -0.62 -1.08 0.00 0.00 178.44 178.33 3mwe s ASP 216 N -6.69 -0.50 -0.01 -0.43 -1.08 -1.25 -4.94 116.67 101.76 3mwe s ASP 216 Ca 0.01 0.87 -0.01 0.00 -0.52 0.00 0.00 52.55 52.90 3mwe s ASP 216 Cb 0.10 0.77 0.01 0.00 -1.46 0.00 0.00 42.92 42.33 3mwe s ASP 216 CO 0.80 -0.19 0.04 -0.22 0.52 0.00 0.00 175.17 176.12 3mwe s LEU 217 N 1.28 1.76 0.01 -1.34 0.20 -1.26 -2.25 118.68 117.08 3mwe s LEU 217 Ca -0.09 0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.82 3mwe s LEU 217 Cb -0.08 0.10 -0.01 0.00 -0.43 0.00 0.00 46.19 45.77 3mwe s LEU 217 CO -0.11 -0.03 -0.06 0.00 -0.29 0.00 0.00 176.35 175.85 3mwe s ALA 218 N 0.16 0.51 0.03 5.97 0.00 -0.32 -4.44 121.76 123.67 3mwe s ALA 218 Ca -0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.23 3mwe s ALA 218 Cb -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.11 3mwe s ALA 218 CO -0.00 0.06 0.61 0.00 0.00 0.00 0.00 175.76 176.43 3mwe s ALA 219 N -0.63 -1.60 0.09 0.00 0.00 -1.26 -0.45 121.76 117.91 3mwe s ALA 219 Ca -0.03 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.88 3mwe s ALA 219 Cb -0.05 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3mwe s ALA 219 CO 0.00 -0.51 -0.12 0.15 0.00 0.00 0.00 175.76 175.29 3mwe s LYS 220 N -2.18 0.83 0.24 0.00 1.02 0.16 -1.84 119.74 117.97 3mwe s LYS 220 Ca -0.06 -1.06 0.09 0.00 0.02 0.00 0.00 55.97 54.95 3mwe s LYS 220 Cb -0.01 -0.64 -0.05 0.00 -0.52 0.00 0.00 37.83 36.62 3mwe s LYS 220 CO 0.01 0.12 -0.14 0.14 -0.92 0.00 0.00 175.35 174.56 3mwe s VAL 221 N -1.95 1.95 -0.82 3.17 -7.23 -0.73 -1.79 120.40 112.99 3mwe s VAL 221 Ca 0.02 -2.25 -0.23 0.00 -1.81 0.00 0.00 61.98 57.71 3mwe s VAL 221 Cb -0.06 -2.21 0.07 0.00 0.56 0.00 0.00 36.38 34.74 3mwe s VAL 221 CO 0.01 -0.47 1.18 -0.62 -0.31 0.00 0.00 175.10 174.89 3mwe s ASP 222 N -3.40 6.35 0.54 4.85 -1.08 -0.26 -0.47 116.67 123.20 3mwe s ASP 222 Ca 0.26 -1.21 0.33 0.00 -0.52 0.00 0.00 52.55 51.41 3mwe s ASP 222 Cb -0.01 -2.48 1.50 0.00 -1.46 0.00 0.00 42.92 40.47 3mwe s ASP 222 CO 0.10 -1.46 1.86 0.00 0.52 0.00 0.00 175.17 176.19 3mwe h ALA 223 N 9.56 2.94 0.00 3.66 0.00 -1.67 0.01 119.26 133.75 3mwe h ALA 223 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mwe h ALA 223 Cb 1.04 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3mwe h ALA 223 CO 1.24 -1.22 0.00 0.25 0.00 0.00 0.00 179.25 179.52 3mwe n THR 224 N -4.24 1.22 1.48 0.00 -2.24 -1.26 -2.32 114.28 106.92 3mwe n THR 224 Ca 0.21 0.39 0.05 0.00 -2.27 0.00 0.00 64.05 62.43 3mwe n THR 224 Cb 1.06 -1.29 0.21 0.00 -2.10 0.00 0.00 70.33 68.21 3mwe n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mwe n ALA 225 N -1.61 2.50 -0.32 6.98 0.00 -0.01 -4.26 120.51 123.79 3mwe n ALA 225 Ca 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.22 3mwe n ALA 225 Cb 0.12 -1.06 0.24 0.00 0.00 0.00 0.00 19.45 18.76 3mwe n ALA 225 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3mwe h ASP 226 N 1.08 0.68 0.30 0.00 3.58 -1.67 0.20 116.42 120.58 3mwe h ASP 226 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3mwe h ASP 226 Cb 0.24 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3mwe h ASP 226 CO 0.00 0.30 0.00 0.10 -2.88 0.00 0.00 179.24 176.76 3mwe h TYR 227 N 0.74 0.00 0.03 0.28 -0.00 -1.88 0.46 116.97 116.60 3mwe h TYR 227 Ca 0.49 0.00 -0.38 0.00 -0.00 0.00 0.00 58.73 58.84 3mwe h TYR 227 Cb 0.65 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.33 3mwe h TYR 227 CO -0.05 0.00 -2.17 -0.89 -0.00 0.00 0.00 178.16 175.05 3mwe n ILE 228 N -2.54 1.58 1.00 -0.90 5.41 0.52 -4.67 119.36 119.75 3mwe n ILE 228 Ca -0.01 -0.44 0.11 0.00 1.00 0.00 0.00 62.75 63.41 3mwe n ILE 228 Cb 0.12 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.31 3mwe n ILE 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mwe h LYS 230 N 2.34 0.04 -0.64 0.00 1.63 -1.14 0.76 116.57 119.57 3mwe h LYS 230 Ca 0.00 -0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.96 3mwe h LYS 230 Cb 0.75 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.34 3mwe h LYS 230 CO 0.00 0.03 0.45 -0.24 -3.45 0.00 0.00 179.45 176.23 3mwe h VAL 231 N 0.04 0.73 0.03 2.00 3.04 -1.85 -0.22 116.25 120.03 3mwe h VAL 231 Ca 0.43 -0.04 -0.39 0.00 -1.01 0.00 0.00 66.70 65.69 3mwe h VAL 231 Cb 0.74 0.60 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 3mwe h VAL 231 CO -0.78 0.02 -2.31 0.29 -1.01 0.00 0.00 177.57 173.79 3mwe n LYS 232 N -4.40 0.66 -0.06 4.17 5.02 0.13 -4.53 118.16 119.15 3mwe n LYS 232 Ca 0.12 0.22 -0.04 0.00 -2.02 0.00 0.00 58.31 56.59 3mwe n LYS 232 Cb 0.62 -1.57 0.18 0.00 -0.02 0.00 0.00 35.03 34.24 3mwe n LYS 232 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 3mwe h TRP 233 N -0.19 0.73 0.00 2.13 6.55 0.47 -3.49 115.95 122.15 3mwe h TRP 233 Ca -0.55 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.17 3mwe h TRP 233 Cb 1.86 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 29.96 3mwe h TRP 233 CO 0.03 0.74 0.00 0.41 -1.05 0.00 0.00 178.44 178.57 3mwe n GLY 234 N -0.56 1.13 2.84 1.49 0.00 -0.11 -3.86 105.19 106.12 3mwe n GLY 234 Ca 0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3mwe n GLY 234 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mwe n ASP 235 N -2.83 4.46 -4.76 1.61 8.00 -1.26 -4.92 116.55 116.86 3mwe n ASP 235 Ca 0.00 -2.96 -0.41 0.00 0.71 0.00 0.00 54.79 52.13 3mwe n ASP 235 Cb 0.00 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 39.48 3mwe n ASP 235 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3mwe s ILE 236 N 1.99 3.22 -0.02 0.53 2.07 -1.25 -5.03 121.20 122.70 3mwe s ILE 236 Ca 0.44 1.19 -0.01 0.00 -1.41 0.00 0.00 60.65 60.86 3mwe s ILE 236 Cb 0.11 -3.76 -0.04 0.00 0.13 0.00 0.00 42.46 38.91 3mwe s ILE 236 CO -0.04 0.27 0.09 -1.61 -1.91 0.00 0.00 174.94 171.74 3mwe s GLU 237 N -1.36 3.12 -0.44 3.50 2.02 -1.26 -5.08 118.70 119.20 3mwe s GLU 237 Ca 0.47 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.05 3mwe s GLU 237 Cb -0.35 -2.90 0.12 0.00 0.10 0.00 0.00 34.13 31.10 3mwe s GLU 237 CO 0.44 0.67 0.19 -0.06 0.02 0.00 0.00 175.26 176.52 3mwe s PHE 238 N -1.16 3.54 0.62 1.61 0.08 -1.26 -4.54 117.98 116.87 3mwe s PHE 238 Ca 0.22 -2.88 -0.17 0.00 0.12 0.00 0.00 56.93 54.22 3mwe s PHE 238 Cb -0.12 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 3mwe s PHE 238 CO 0.12 -0.89 1.13 -2.14 -0.10 0.00 0.00 175.22 173.34 3mwe s PRO 239 N 0.54 2.96 0.89 0.24 0.02 -1.26 -5.01 135.00 133.38 3mwe s PRO 239 Ca 0.13 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 62.55 3mwe s PRO 239 Cb -0.22 -1.96 0.12 0.00 0.02 0.00 0.00 34.50 32.47 3mwe s PRO 239 CO -0.05 -1.15 1.09 -2.14 -0.33 0.00 0.00 177.00 174.43 3mwe s PRO 240 N -3.75 1.34 0.80 5.54 0.02 -1.26 -4.80 135.00 132.89 3mwe s PRO 240 Ca 0.70 0.80 -0.13 0.00 0.02 0.00 0.00 61.00 62.39 3mwe s PRO 240 Cb -0.23 -1.82 0.08 0.00 0.02 0.00 0.00 34.50 32.55 3mwe s PRO 240 CO 0.36 -2.18 1.18 -2.14 -0.33 0.00 0.00 177.00 173.90 3mwe s PRO 241 N -4.96 1.71 0.20 5.54 0.02 -1.26 -4.89 135.00 131.37 3mwe s PRO 241 Ca 0.63 1.66 -0.33 0.00 0.02 0.00 0.00 61.00 62.99 3mwe s PRO 241 Cb -0.18 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 3mwe s PRO 241 CO 0.57 -2.14 1.67 0.34 -0.33 0.00 0.00 177.00 177.11 3mwe n PHE 242 N -3.34 2.60 -1.48 6.54 7.35 -1.24 -4.79 117.46 123.10 3mwe n PHE 242 Ca 0.13 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 3mwe n PHE 242 Cb 0.51 -2.63 0.00 0.00 0.35 0.00 0.00 39.48 37.71 3mwe n PHE 242 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3mwe n GLY 243 N 3.69 -0.52 3.75 7.13 0.00 -1.26 -4.79 105.19 113.20 3mwe n GLY 243 Ca 0.16 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3mwe n GLY 243 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mwe s ARG 244 N -1.78 2.08 0.56 1.61 1.70 -1.23 -4.38 118.95 117.51 3mwe s ARG 244 Ca 0.00 1.28 -0.16 0.00 -0.47 0.00 0.00 55.73 56.38 3mwe s ARG 244 Cb 0.00 -1.87 -0.06 0.00 -0.57 0.00 0.00 34.95 32.45 3mwe s ARG 244 CO 0.00 -1.79 1.02 -1.21 -1.08 0.00 0.00 175.30 172.24 3mwe s GLU 245 N -4.75 3.67 0.48 3.89 2.02 -1.26 -5.01 118.70 117.73 3mwe s GLU 245 Ca 0.63 1.02 -0.23 0.00 0.02 0.00 0.00 54.97 56.41 3mwe s GLU 245 Cb -0.19 -2.09 -0.07 0.00 0.10 0.00 0.00 34.13 31.88 3mwe s GLU 245 CO 0.55 -0.51 1.19 0.00 0.02 0.00 0.00 175.26 176.51 3mwe s ALA 246 N -2.64 2.94 0.52 5.21 0.00 -1.26 -5.01 121.76 121.52 3mwe s ALA 246 Ca 0.60 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.38 3mwe s ALA 246 Cb -0.12 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3mwe s ALA 246 CO 0.36 -0.77 1.00 0.71 0.00 0.00 0.00 175.76 177.06 3mwe s TYR 247 N -1.52 3.31 0.34 0.00 2.02 -1.26 -4.92 117.35 115.33 3mwe s TYR 247 Ca 0.65 1.49 0.07 0.00 -0.37 0.00 0.00 57.07 58.92 3mwe s TYR 247 Cb -0.30 -2.86 0.76 0.00 -0.40 0.00 0.00 41.96 39.16 3mwe s TYR 247 CO 0.36 -0.54 1.88 -1.35 -1.57 0.00 0.00 175.55 174.33 3mwe h PRO 248 N 0.93 0.73 -0.41 -1.71 0.11 -1.99 -2.00 132.00 127.65 3mwe h PRO 248 Ca -0.47 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 3mwe h PRO 248 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3mwe h PRO 248 CO 0.60 0.48 -0.13 0.93 -0.21 0.00 0.00 178.00 179.68 3mwe h GLU 249 N 0.75 0.75 0.11 1.05 3.07 -1.99 0.17 114.58 118.50 3mwe h GLU 249 Ca 0.44 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 3mwe h GLU 249 Cb 0.61 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3mwe h GLU 249 CO -0.20 0.85 -0.05 0.93 -1.40 0.00 0.00 179.01 179.14 3mwe h GLU 250 N 0.68 -0.14 -0.92 2.33 5.08 -1.69 -0.37 114.58 119.55 3mwe h GLU 250 Ca 0.11 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 3mwe h GLU 250 Cb 0.61 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 3mwe h GLU 250 CO 0.04 -0.07 0.55 0.00 -1.00 0.00 0.00 179.01 178.53 3mwe h ALA 251 N 0.71 1.35 0.06 3.43 0.00 -1.19 0.53 119.26 124.16 3mwe h ALA 251 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mwe h ALA 251 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mwe h ALA 251 CO 0.02 0.14 -0.03 -0.92 0.00 0.00 0.00 179.25 178.47 3mwe h TYR 252 N 0.88 -0.08 -0.45 0.00 3.20 -0.64 -1.58 116.97 118.31 3mwe h TYR 252 Ca 0.45 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.33 3mwe h TYR 252 Cb 0.45 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3mwe h TYR 252 CO -0.04 0.02 0.29 0.82 -1.64 0.00 0.00 178.16 177.62 3mwe h ILE 253 N -0.15 1.12 -0.36 1.81 1.08 -0.48 -0.28 117.51 120.24 3mwe h ILE 253 Ca -0.01 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 3mwe h ILE 253 Cb 0.13 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3mwe h ILE 253 CO 0.01 0.12 0.16 0.00 -0.69 0.00 0.00 178.15 177.75 3mwe h ALA 254 N 1.71 0.46 -0.43 1.87 0.00 -0.59 0.14 119.26 122.42 3mwe h ALA 254 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3mwe h ALA 254 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3mwe h ALA 254 CO -0.03 0.04 -0.01 0.22 0.00 0.00 0.00 179.25 179.46 3mwe h ASP 255 N 0.44 0.67 -0.50 0.00 3.58 -0.56 0.17 116.42 120.23 3mwe h ASP 255 Ca 0.12 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3mwe h ASP 255 Cb 0.14 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3mwe h ASP 255 CO -0.01 0.75 0.31 0.25 -2.88 0.00 0.00 179.24 177.66 3mwe h LEU 256 N 0.66 0.59 -0.15 2.28 5.85 -0.72 -3.07 115.31 120.74 3mwe h LEU 256 Ca 0.13 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3mwe h LEU 256 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3mwe h LEU 256 CO 0.02 0.45 0.06 -0.78 -0.34 0.00 0.00 178.44 177.86 3mwe h ASP 257 N 0.67 0.09 -0.25 1.25 3.58 0.45 -2.37 116.42 119.84 3mwe h ASP 257 Ca 0.18 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.71 3mwe h ASP 257 Cb -0.04 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3mwe h ASP 257 CO -0.04 0.07 0.21 0.00 -2.88 0.00 0.00 179.24 176.61 3mwe h ALA 258 N 1.08 2.05 -0.94 -0.78 0.00 -0.95 -2.79 119.26 116.94 3mwe h ALA 258 Ca 0.06 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.46 3mwe h ALA 258 Cb 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.54 3mwe h ALA 258 CO -0.05 -0.34 0.65 1.63 0.00 0.00 0.00 179.25 181.13 3mwe n LYS 259 N -4.12 2.23 -3.52 0.00 5.02 -0.89 -4.94 118.16 111.93 3mwe n LYS 259 Ca 0.03 -2.86 -0.09 0.00 -2.02 0.00 0.00 58.31 53.37 3mwe n LYS 259 Cb 0.36 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.23 3mwe n LYS 259 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3mwe s SER 260 N -1.22 -0.40 0.33 4.39 0.15 -1.05 -5.01 113.70 110.89 3mwe s SER 260 Ca 0.54 -0.08 0.17 0.00 0.70 0.00 0.00 55.95 57.29 3mwe s SER 260 Cb 0.45 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 65.41 3mwe s SER 260 CO 0.09 -0.81 1.50 1.23 1.20 0.00 0.00 173.24 176.45 3mwe h GLY 261 N 2.00 0.00 -1.87 9.45 0.00 -1.92 -3.45 103.07 107.27 3mwe h GLY 261 Ca -0.26 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.56 3mwe h GLY 261 CO 0.32 0.00 0.40 0.00 0.00 0.00 0.00 176.54 177.26 3mwe s ALA 262 N -3.04 2.56 -0.43 3.60 0.00 -1.26 -4.95 121.76 118.24 3mwe s ALA 262 Ca 0.05 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 3mwe s ALA 262 Cb 0.07 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mwe s ALA 262 CO 0.72 -1.06 0.37 0.45 0.00 0.00 0.00 175.76 176.24 3mwe s SER 263 N -2.20 6.15 -0.32 0.00 0.15 0.10 -4.90 113.70 112.68 3mwe s SER 263 Ca 0.70 -0.93 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 3mwe s SER 263 Cb -0.22 -2.19 0.06 0.00 -1.71 0.00 0.00 66.02 61.96 3mwe s SER 263 CO 0.35 -0.55 0.03 -0.76 1.20 0.00 0.00 173.24 173.51 3mwe s LEU 264 N 1.84 4.15 -0.02 3.45 1.43 -1.26 -0.78 118.68 127.50 3mwe s LEU 264 Ca 0.07 -1.46 0.05 0.00 -1.03 0.00 0.00 54.13 51.76 3mwe s LEU 264 Cb -0.20 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3mwe s LEU 264 CO 0.10 -0.31 -0.16 -0.54 0.23 0.00 0.00 176.35 175.67 3mwe s LYS 265 N 1.20 1.42 -0.17 1.70 -0.14 -0.38 -4.42 119.74 118.95 3mwe s LYS 265 Ca -0.02 -0.59 -0.10 0.00 -1.36 0.00 0.00 55.97 53.91 3mwe s LYS 265 Cb -0.20 -1.34 0.06 0.00 -1.68 0.00 0.00 37.83 34.67 3mwe s LYS 265 CO -0.02 0.33 0.40 -1.17 -0.76 0.00 0.00 175.35 174.13 3mwe s LEU 266 N -0.29 -0.01 -0.03 3.17 2.96 -1.26 -1.64 118.68 121.58 3mwe s LEU 266 Ca 0.04 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3mwe s LEU 266 Cb -0.07 1.33 0.02 0.00 0.50 0.00 0.00 46.19 47.97 3mwe s LEU 266 CO -0.00 -0.19 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.93 3mwe s THR 267 N 1.26 0.36 -0.34 3.68 2.01 -0.30 -4.79 115.64 117.52 3mwe s THR 267 Ca -0.08 -0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 3mwe s THR 267 Cb -0.08 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 3mwe s THR 267 CO -0.11 0.17 0.52 -0.76 -0.69 0.00 0.00 174.62 173.74 3mwe s LEU 268 N 0.75 4.30 -0.17 4.42 1.02 -1.26 -1.42 118.68 126.31 3mwe s LEU 268 Ca -0.09 0.06 -0.25 0.00 0.02 0.00 0.00 54.13 53.87 3mwe s LEU 268 Cb -0.12 -2.60 -0.23 0.00 0.02 0.00 0.00 46.19 43.27 3mwe s LEU 268 CO -0.01 -0.45 0.50 -0.07 0.02 0.00 0.00 176.35 176.34 3mwe h LEU 269 N 9.05 0.00 -6.46 1.79 3.38 -0.97 -3.45 115.31 118.65 3mwe h LEU 269 Ca -0.28 -0.76 -0.41 0.00 0.09 0.00 0.00 57.88 56.52 3mwe h LEU 269 Cb 1.13 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.54 3mwe h LEU 269 CO 0.76 1.24 -0.71 0.21 0.09 0.00 0.00 178.44 180.03 3mwe s ASN 270 N -6.53 1.78 0.50 -0.43 2.47 -0.70 -5.00 114.94 107.03 3mwe s ASN 270 Ca -0.24 -1.46 0.27 0.00 0.42 0.00 0.00 52.86 51.86 3mwe s ASN 270 Cb 0.01 0.31 1.48 0.00 -1.45 0.00 0.00 41.25 41.61 3mwe s ASN 270 CO 0.64 -0.31 1.81 -0.65 -3.72 0.00 0.00 177.10 174.87 3mwe h PRO 271 N 7.46 0.00 -0.00 0.43 0.11 -1.88 0.17 132.00 138.29 3mwe h PRO 271 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3mwe h PRO 271 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3mwe h PRO 271 CO 0.26 0.00 -0.69 1.63 -0.21 0.00 0.00 178.00 178.99 3mwe n LYS 272 N -2.57 0.36 -1.68 1.05 5.02 -1.26 -4.92 118.16 114.16 3mwe n LYS 272 Ca -0.02 -0.27 -0.38 0.00 -2.02 0.00 0.00 58.31 55.62 3mwe n LYS 272 Cb 0.20 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 3mwe n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mwe n GLY 273 N 1.47 0.19 0.22 0.72 0.00 0.60 -4.92 105.19 103.47 3mwe n GLY 273 Ca 0.06 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3mwe n GLY 273 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mwe n ARG 274 N -1.18 0.93 -3.72 1.61 1.85 -1.04 -4.61 116.66 110.50 3mwe n ARG 274 Ca 0.13 -0.44 -0.38 0.00 -1.00 0.00 0.00 57.85 56.16 3mwe n ARG 274 Cb 0.46 -1.49 -0.12 0.00 -1.05 0.00 0.00 32.46 30.26 3mwe n ARG 274 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3mwe s ILE 275 N -2.37 3.90 -0.01 8.89 1.01 0.08 -0.79 121.20 131.92 3mwe s ILE 275 Ca 0.30 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3mwe s ILE 275 Cb 0.20 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3mwe s ILE 275 CO 0.46 -0.22 -0.13 0.26 0.00 0.00 0.00 174.94 175.31 3mwe s TRP 276 N 1.42 2.72 0.10 3.97 0.52 0.23 -0.70 118.94 127.19 3mwe s TRP 276 Ca -0.01 -0.15 0.10 0.00 0.02 0.00 0.00 56.10 56.06 3mwe s TRP 276 Cb -0.20 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3mwe s TRP 276 CO 0.03 0.26 -0.25 0.95 0.02 0.00 0.00 176.95 177.96 3mwe s THR 277 N -0.86 2.06 -0.35 2.01 -4.23 -1.26 0.20 115.64 113.21 3mwe s THR 277 Ca 0.14 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3mwe s THR 277 Cb -0.11 -1.81 0.14 0.00 1.34 0.00 0.00 72.50 72.06 3mwe s THR 277 CO 0.04 0.13 0.26 -0.32 -0.54 0.00 0.00 174.62 174.19 3mwe s MET 278 N -1.76 0.52 -0.09 3.99 0.00 0.40 -4.91 119.30 117.45 3mwe s MET 278 Ca 0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 55.69 54.78 3mwe s MET 278 Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 34.83 33.64 3mwe s MET 278 CO 0.04 -1.17 -0.05 0.08 0.00 0.00 0.00 175.02 173.91 3mwe s VAL 279 N 1.38 3.81 -0.18 10.11 1.01 -1.26 -3.12 120.40 132.15 3mwe s VAL 279 Ca 0.16 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 3mwe s VAL 279 Cb -0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3mwe s VAL 279 CO -0.07 0.58 0.37 0.00 0.00 0.00 0.00 175.10 175.99 3mwe s ALA 280 N -0.54 3.55 0.00 5.51 0.00 -0.88 -1.61 121.76 127.79 3mwe s ALA 280 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3mwe s ALA 280 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3mwe s ALA 280 CO 0.02 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3mwe n GLY 281 N 3.67 2.88 0.17 0.00 0.00 -1.26 -3.58 105.19 107.08 3mwe n GLY 281 Ca -0.09 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 3mwe n GLY 281 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mwe h GLY 282 N 0.00 0.57 0.99 -0.02 0.00 -1.95 -1.48 103.07 101.18 3mwe h GLY 282 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mwe h GLY 282 CO 0.00 0.41 0.01 -1.33 0.00 0.00 0.00 176.54 175.63 3mwe h GLY 283 N 0.30 0.03 0.99 4.60 0.00 -2.01 -2.88 103.07 104.10 3mwe h GLY 283 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.42 3mwe h GLY 283 CO 0.02 0.01 0.62 0.00 0.00 0.00 0.00 176.54 177.19 3mwe h ALA 284 N 0.99 1.38 -0.61 3.60 0.00 -1.81 -1.82 119.26 121.00 3mwe h ALA 284 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3mwe h ALA 284 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3mwe h ALA 284 CO -0.00 0.54 0.12 0.66 0.00 0.00 0.00 179.25 180.57 3mwe h SER 285 N 1.21 0.92 -0.55 0.00 4.64 -1.12 -0.05 113.55 118.59 3mwe h SER 285 Ca 0.36 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3mwe h SER 285 Cb -0.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 3mwe h SER 285 CO -0.10 0.91 0.20 0.58 -0.87 0.00 0.00 176.83 177.55 3mwe h VAL 286 N 0.92 1.23 -0.34 0.95 2.07 -1.23 -2.44 116.25 117.41 3mwe h VAL 286 Ca 0.19 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3mwe h VAL 286 Cb 0.37 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3mwe h VAL 286 CO 0.01 0.28 0.09 0.58 0.02 0.00 0.00 177.57 178.54 3mwe h VAL 287 N 0.76 1.22 -0.85 2.57 2.07 -0.66 -0.34 116.25 121.03 3mwe h VAL 287 Ca 0.18 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3mwe h VAL 287 Cb 0.23 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3mwe h VAL 287 CO -0.01 0.25 0.49 1.88 0.02 0.00 0.00 177.57 180.20 3mwe h TYR 288 N 0.39 1.13 -0.37 1.57 0.05 -1.04 -0.61 116.97 118.10 3mwe h TYR 288 Ca 0.11 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3mwe h TYR 288 Cb 0.29 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3mwe h TYR 288 CO 0.01 0.77 0.21 0.77 -1.05 0.00 0.00 178.16 178.87 3mwe h SER 289 N 1.17 0.45 -0.67 3.88 0.02 -1.13 -1.35 113.55 115.92 3mwe h SER 289 Ca 0.30 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.28 3mwe h SER 289 Cb -0.02 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.34 3mwe h SER 289 CO -0.05 0.38 0.31 0.44 -1.14 0.00 0.00 176.83 176.77 3mwe h ASP 290 N 0.47 0.39 -0.30 3.07 3.32 -0.76 -2.10 116.42 120.51 3mwe h ASP 290 Ca 0.13 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3mwe h ASP 290 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3mwe h ASP 290 CO -0.02 0.23 -0.01 0.74 -1.72 0.00 0.00 179.24 178.45 3mwe h THR 291 N 0.54 1.26 -0.56 0.35 2.02 -0.70 0.79 112.91 116.61 3mwe h THR 291 Ca 0.33 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.58 3mwe h THR 291 Cb 0.36 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3mwe h THR 291 CO -0.27 0.31 0.32 0.40 0.37 0.00 0.00 175.52 176.64 3mwe h ILE 292 N 0.32 1.01 -0.55 3.11 2.04 -1.10 -0.82 117.51 121.52 3mwe h ILE 292 Ca 0.08 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 3mwe h ILE 292 Cb 0.45 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3mwe h ILE 292 CO 0.02 0.11 0.01 0.00 0.00 0.00 0.00 178.15 178.28 3mwe h ASP 294 N 0.86 0.40 -0.41 0.00 3.58 -0.20 -2.36 116.42 118.29 3mwe h ASP 294 Ca 0.16 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3mwe h ASP 294 Cb 0.50 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3mwe h ASP 294 CO 0.02 0.47 0.00 0.18 -2.88 0.00 0.00 179.24 177.03 3mwe n LEU 295 N -4.31 4.32 0.00 2.28 4.77 -0.37 -4.90 117.00 118.79 3mwe n LEU 295 Ca 0.01 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3mwe n LEU 295 Cb 0.22 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3mwe n LEU 295 CO 0.38 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3mwe n GLY 296 N 0.47 0.75 1.06 -0.72 0.00 -0.89 -4.96 105.19 100.90 3mwe n GLY 296 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3mwe n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 297 N -2.20 1.68 0.37 -0.02 0.00 -0.06 -4.56 105.19 100.39 3mwe n GLY 297 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.60 3mwe n GLY 297 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3mwe h VAL 298 N 2.49 0.93 0.00 1.61 3.04 -1.80 -0.75 116.25 121.77 3mwe h VAL 298 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3mwe h VAL 298 Cb 0.96 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 3mwe h VAL 298 CO 0.14 0.15 0.00 0.78 -1.01 0.00 0.00 177.57 177.62 3mwe h ASN 299 N 0.79 0.00 -0.19 3.17 2.35 -1.97 -3.04 115.58 116.70 3mwe h ASN 299 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3mwe h ASN 299 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3mwe h ASN 299 CO -0.17 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 174.99 3mwe n GLU 300 N -2.31 2.06 -2.31 0.81 -0.58 -0.35 -4.76 120.64 113.21 3mwe n GLU 300 Ca 0.05 -1.92 -0.43 0.00 -0.42 0.00 0.00 57.16 54.45 3mwe n GLU 300 Cb 0.41 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 3mwe n GLU 300 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3mwe s LEU 301 N -1.50 3.53 0.07 -4.62 2.96 -0.85 -0.74 118.68 117.53 3mwe s LEU 301 Ca 0.29 0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 54.80 3mwe s LEU 301 Cb 0.18 -3.41 -0.16 0.00 0.50 0.00 0.00 46.19 43.30 3mwe s LEU 301 CO 0.26 -1.55 1.28 0.00 -1.32 0.00 0.00 176.35 175.02 3mwe h ALA 302 N 11.17 0.27 -2.74 5.97 0.00 -1.06 -3.27 119.26 129.61 3mwe h ALA 302 Ca -0.28 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.01 3mwe h ALA 302 Cb 1.11 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3mwe h ALA 302 CO 1.10 0.51 -0.23 0.54 0.00 0.00 0.00 179.25 181.17 3mwe s ASN 303 N -6.83 -0.04 0.06 0.00 4.22 -1.26 -0.39 114.94 110.70 3mwe s ASN 303 Ca -0.12 -0.89 -0.04 0.00 -2.14 0.00 0.00 52.86 49.67 3mwe s ASN 303 Cb 0.07 0.51 -0.02 0.00 1.28 0.00 0.00 41.25 43.08 3mwe s ASN 303 CO 0.86 -1.00 0.05 -0.72 -2.04 0.00 0.00 177.10 174.25 3mwe s TYR 304 N -3.99 0.37 -5.00 1.54 1.13 -0.51 -4.66 117.35 106.23 3mwe s TYR 304 Ca 0.20 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 3mwe s TYR 304 Cb 0.02 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 3mwe s TYR 304 CO 0.04 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.06 3mwe n GLY 305 N 0.11 0.25 3.59 5.49 0.00 -1.26 -1.15 105.19 112.22 3mwe n GLY 305 Ca -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 3mwe n GLY 305 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mwe s GLU 306 N -2.00 0.35 -0.29 1.61 -1.05 -0.65 -4.55 118.70 112.12 3mwe s GLU 306 Ca 0.00 -0.11 -0.00 0.00 -0.15 0.00 0.00 54.97 54.71 3mwe s GLU 306 Cb 0.00 0.16 0.09 0.00 -0.44 0.00 0.00 34.13 33.94 3mwe s GLU 306 CO 0.00 -0.15 0.06 1.52 0.95 0.00 0.00 175.26 177.64 3mwe s TYR 307 N -2.32 1.97 0.22 4.83 1.13 -0.63 -1.25 117.35 121.30 3mwe s TYR 307 Ca 0.08 -1.78 0.04 0.00 -1.41 0.00 0.00 57.07 54.00 3mwe s TYR 307 Cb -0.01 -1.75 -0.05 0.00 -1.10 0.00 0.00 41.96 39.05 3mwe s TYR 307 CO -0.05 -0.84 -0.02 -1.12 -2.51 0.00 0.00 175.55 171.02 3mwe s SER 308 N 1.53 1.88 0.00 -0.18 0.01 0.04 -4.10 113.70 112.87 3mwe s SER 308 Ca 0.06 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.13 3mwe s SER 308 Cb -0.18 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3mwe s SER 308 CO -0.18 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.60 3mwe n GLY 309 N -0.40 0.81 2.97 3.44 0.00 -1.26 0.02 105.19 110.77 3mwe n GLY 309 Ca -0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3mwe n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwe n ALA 310 N -2.09 -2.16 -1.65 4.61 0.00 -1.26 -4.14 120.51 113.82 3mwe n ALA 310 Ca 0.00 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 3mwe n ALA 310 Cb 0.49 -4.88 0.02 0.00 0.00 0.00 0.00 19.45 15.08 3mwe n ALA 310 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mwe s PRO 311 N -4.20 3.21 1.02 0.00 0.02 -1.26 -4.79 135.00 129.00 3mwe s PRO 311 Ca 0.37 1.36 -0.13 0.00 0.02 0.00 0.00 61.00 62.63 3mwe s PRO 311 Cb -0.05 -2.01 0.20 0.00 0.02 0.00 0.00 34.50 32.66 3mwe s PRO 311 CO 0.62 -0.92 1.10 -1.54 -0.33 0.00 0.00 177.00 175.93 3mwe s SER 312 N -2.43 2.47 0.20 2.53 1.04 -1.26 -4.71 113.70 111.54 3mwe s SER 312 Ca 0.67 1.10 -0.10 0.00 0.48 0.00 0.00 55.95 58.10 3mwe s SER 312 Cb -0.19 -1.72 0.13 0.00 0.10 0.00 0.00 66.02 64.33 3mwe s SER 312 CO 0.34 -3.21 1.78 -0.08 0.98 0.00 0.00 173.24 173.05 3mwe h GLU 313 N -1.95 1.04 -0.37 4.02 4.81 -1.92 -1.53 114.58 118.68 3mwe h GLU 313 Ca -0.54 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.49 3mwe h GLU 313 Cb 1.33 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3mwe h GLU 313 CO 0.56 0.83 0.11 0.37 -0.73 0.00 0.00 179.01 180.15 3mwe h GLN 314 N 1.00 0.59 -0.56 1.92 5.75 -1.92 0.23 115.11 122.12 3mwe h GLN 314 Ca 0.24 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3mwe h GLN 314 Cb 0.15 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 3mwe h GLN 314 CO -0.03 0.61 0.36 1.96 -2.65 0.00 0.00 178.83 179.08 3mwe h GLN 315 N 0.45 0.71 -0.53 1.69 4.20 -1.90 0.76 115.11 120.49 3mwe h GLN 315 Ca 0.12 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3mwe h GLN 315 Cb 0.27 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3mwe h GLN 315 CO -0.00 0.47 0.02 1.15 -0.67 0.00 0.00 178.83 179.80 3mwe h THR 316 N 0.74 1.25 -0.43 -0.54 2.02 -1.09 0.17 112.91 115.02 3mwe h THR 316 Ca 0.21 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3mwe h THR 316 Cb -0.07 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3mwe h THR 316 CO -0.05 0.37 0.28 0.22 0.37 0.00 0.00 175.52 176.70 3mwe h TYR 317 N 0.83 0.55 -0.33 3.16 3.20 0.04 -0.23 116.97 124.19 3mwe h TYR 317 Ca 0.16 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 3mwe h TYR 317 Cb 0.46 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3mwe h TYR 317 CO 0.03 0.37 -0.21 -0.44 -1.64 0.00 0.00 178.16 176.26 3mwe h ASP 318 N 0.58 0.63 0.21 -2.11 3.32 -0.46 -1.47 116.42 117.12 3mwe h ASP 318 Ca 0.16 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3mwe h ASP 318 Cb -0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3mwe h ASP 318 CO -0.03 0.84 -0.10 0.22 -1.72 0.00 0.00 179.24 178.45 3mwe h TYR 319 N 0.56 -0.27 -0.74 4.55 3.20 -0.80 -3.14 116.97 120.33 3mwe h TYR 319 Ca 0.08 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3mwe h TYR 319 Cb 0.67 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.97 3mwe h TYR 319 CO 0.03 0.08 0.44 0.00 -1.64 0.00 0.00 178.16 177.07 3mwe h ALA 320 N 0.01 1.00 0.00 1.82 0.00 -0.93 -1.83 119.26 119.34 3mwe h ALA 320 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mwe h ALA 320 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mwe h ALA 320 CO 0.05 0.16 -0.10 1.57 0.00 0.00 0.00 179.25 180.92 3mwe h LYS 321 N 0.82 0.00 -0.15 0.00 2.10 -1.34 0.10 116.57 118.10 3mwe h LYS 321 Ca 0.32 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.83 3mwe h LYS 321 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3mwe h LYS 321 CO -0.17 0.10 -0.47 1.15 -2.00 0.00 0.00 179.45 178.07 3mwe h THR 322 N 0.00 1.34 -0.49 0.07 2.02 -1.28 -0.65 112.91 113.92 3mwe h THR 322 Ca -0.00 -1.74 -0.09 0.00 0.77 0.00 0.00 66.41 65.34 3mwe h THR 322 Cb 0.39 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 3mwe h THR 322 CO 0.01 0.53 -0.06 0.40 0.37 0.00 0.00 175.52 176.78 3mwe h ILE 323 N 0.22 1.27 -0.60 3.11 2.04 -1.20 -1.00 117.51 121.34 3mwe h ILE 323 Ca -0.02 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3mwe h ILE 323 Cb 1.09 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3mwe h ILE 323 CO 0.10 0.41 0.38 -0.07 0.00 0.00 0.00 178.15 178.97 3mwe h LEU 324 N 0.76 0.70 -0.30 1.44 3.38 -0.76 -1.29 115.31 119.25 3mwe h LEU 324 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3mwe h LEU 324 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3mwe h LEU 324 CO 0.04 0.52 0.19 -1.28 0.09 0.00 0.00 178.44 178.00 3mwe h SER 325 N 0.81 0.34 -0.13 -0.43 0.87 -1.04 -2.90 113.55 111.08 3mwe h SER 325 Ca 0.22 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3mwe h SER 325 Cb -0.07 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3mwe h SER 325 CO -0.04 0.26 0.04 -0.07 -0.53 0.00 0.00 176.83 176.48 3mwe h LEU 326 N 0.39 0.25 -1.60 2.23 3.38 -0.48 -2.33 115.31 117.15 3mwe h LEU 326 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mwe h LEU 326 Cb -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3mwe h LEU 326 CO -0.02 0.27 0.00 1.15 0.09 0.00 0.00 178.44 179.93 3mwe n MET 327 N -4.41 2.04 -1.01 1.13 0.00 -0.55 -3.83 117.12 110.50 3mwe n MET 327 Ca -0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 57.70 56.07 3mwe n MET 327 Cb 0.15 -1.43 0.16 0.00 0.00 0.00 0.00 33.22 32.10 3mwe n MET 327 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3mwe n THR 328 N 0.80 2.44 -0.02 3.17 -2.24 -0.88 -4.72 114.28 112.83 3mwe n THR 328 Ca 0.17 -3.32 -0.22 0.00 -2.27 0.00 0.00 64.05 58.42 3mwe n THR 328 Cb 0.44 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.04 3mwe n THR 328 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3mwe h ARG 329 N 1.30 0.20 -4.97 -0.78 2.47 -1.66 -3.48 114.38 107.46 3mwe h ARG 329 Ca 0.17 -0.35 -0.40 0.00 -1.26 0.00 0.00 59.98 58.14 3mwe h ARG 329 Cb 1.31 0.13 -0.26 0.00 -1.65 0.00 0.00 29.97 29.50 3mwe h ARG 329 CO 0.34 1.17 -0.78 -1.21 0.56 0.00 0.00 179.97 180.05 3mwe s GLU 330 N -2.49 0.79 0.47 0.04 8.01 -1.26 -5.14 118.70 119.12 3mwe s GLU 330 Ca -0.23 -0.58 -0.22 0.00 0.01 0.00 0.00 54.97 53.95 3mwe s GLU 330 Cb 0.06 -0.75 -0.08 0.00 -4.31 0.00 0.00 34.13 29.05 3mwe s GLU 330 CO 0.73 0.19 1.11 0.15 0.01 0.00 0.00 175.26 177.45 3mwe s LYS 331 N -0.82 3.75 -0.06 1.61 1.02 -1.26 -5.06 119.74 118.93 3mwe s LYS 331 Ca 0.01 1.60 0.03 0.00 0.02 0.00 0.00 55.97 57.62 3mwe s LYS 331 Cb -0.06 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3mwe s LYS 331 CO 0.00 -0.51 -0.11 -1.58 -0.92 0.00 0.00 175.35 172.23 3mwe s HIS 332 N -1.71 2.80 0.46 3.18 5.65 -1.26 -5.02 115.29 119.38 3mwe s HIS 332 Ca 0.65 -0.08 0.17 0.00 0.25 0.00 0.00 55.06 56.05 3mwe s HIS 332 Cb -0.24 -1.66 1.13 0.00 -1.18 0.00 0.00 32.58 30.63 3mwe s HIS 332 CO 0.28 0.25 1.96 -1.35 -0.65 0.00 0.00 174.74 175.23 3mwe h PRO 333 N 5.29 0.30 -0.61 2.88 0.11 -1.97 -1.30 132.00 136.70 3mwe h PRO 333 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mwe h PRO 333 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mwe h PRO 333 CO 0.51 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 3mwe n ASP 334 N -4.45 5.40 -0.81 -2.05 8.00 -1.26 -5.07 116.55 116.31 3mwe n ASP 334 Ca 0.12 -2.75 0.03 0.00 0.71 0.00 0.00 54.79 52.90 3mwe n ASP 334 Cb 0.49 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 3mwe n ASP 334 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mwe n GLY 335 N 0.83 -1.38 3.22 0.44 0.00 -0.49 -4.97 105.19 102.83 3mwe n GLY 335 Ca 0.27 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3mwe n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mwe s LYS 336 N -0.38 1.10 -0.06 1.61 1.02 -0.69 -4.75 119.74 117.60 3mwe s LYS 336 Ca 0.00 -1.54 0.04 0.00 0.02 0.00 0.00 55.97 54.49 3mwe s LYS 336 Cb 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 3mwe s LYS 336 CO 0.00 -0.20 -0.18 0.42 -0.92 0.00 0.00 175.35 174.48 3mwe s ILE 337 N -3.80 1.51 -0.19 2.17 1.01 0.03 -0.69 121.20 121.24 3mwe s ILE 337 Ca 0.26 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3mwe s ILE 337 Cb 0.07 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3mwe s ILE 337 CO 0.05 0.43 -0.15 -0.22 0.00 0.00 0.00 174.94 175.05 3mwe s LEU 338 N 0.24 2.38 -0.42 2.97 2.96 -0.44 -0.61 118.68 125.76 3mwe s LEU 338 Ca -0.09 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.12 3mwe s LEU 338 Cb -0.14 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.03 3mwe s LEU 338 CO 0.04 -0.00 0.30 -0.63 -1.32 0.00 0.00 176.35 174.73 3mwe s ILE 339 N 1.32 4.92 -0.93 6.68 -1.09 0.13 -1.03 121.20 131.20 3mwe s ILE 339 Ca 0.05 -0.95 -0.08 0.00 -2.23 0.00 0.00 60.65 57.44 3mwe s ILE 339 Cb -0.14 -3.84 0.24 0.00 -1.58 0.00 0.00 42.46 37.14 3mwe s ILE 339 CO -0.09 -0.40 0.86 -0.63 -1.23 0.00 0.00 174.94 173.45 3mwe s ILE 340 N 1.60 5.29 0.29 2.92 1.01 0.12 -0.46 121.20 131.96 3mwe s ILE 340 Ca 0.04 -3.18 0.02 0.00 0.00 0.00 0.00 60.65 57.53 3mwe s ILE 340 Cb -0.21 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.03 3mwe s ILE 340 CO 0.07 -1.08 0.16 0.61 0.00 0.00 0.00 174.94 174.69 3mwe n GLY 341 N 3.10 3.16 0.00 6.18 0.00 -1.18 -1.76 105.19 114.69 3mwe n GLY 341 Ca 0.18 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3mwe n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 342 N 1.57 2.22 0.00 -0.02 0.00 -0.94 -2.08 105.19 105.93 3mwe n GLY 342 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3mwe n GLY 342 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mwe n SER 343 N 0.00 0.00 -4.26 1.61 3.41 -1.23 -4.55 113.62 108.60 3mwe n SER 343 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 3mwe n SER 343 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3mwe n SER 343 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3mwe s ILE 344 N 0.00 3.62 0.61 -1.33 1.01 -1.26 -3.04 121.20 120.81 3mwe s ILE 344 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 3mwe s ILE 344 Cb 0.00 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3mwe s ILE 344 CO 0.00 -0.15 1.25 0.00 0.00 0.00 0.00 174.94 176.04 3mwe s ALA 345 N 1.38 2.51 -0.12 9.38 0.00 -0.88 -4.77 121.76 129.26 3mwe s ALA 345 Ca -0.02 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3mwe s ALA 345 Cb -0.19 -3.49 -0.24 0.00 0.00 0.00 0.00 23.12 19.19 3mwe s ALA 345 CO 0.02 -1.31 0.36 0.09 0.00 0.00 0.00 175.76 174.92 3mwe n ASN 346 N -1.65 1.66 0.00 0.00 3.02 -1.26 -4.19 115.26 112.84 3mwe n ASN 346 Ca 0.14 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 3mwe n ASN 346 Cb 0.49 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3mwe n ASN 346 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 3mwe n PHE 347 N -3.30 0.00 -1.67 3.10 -1.74 -1.26 -4.82 117.46 107.77 3mwe n PHE 347 Ca -0.30 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.14 3mwe n PHE 347 Cb 1.05 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 42.01 3mwe n PHE 347 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 3mwe n THR 348 N -0.48 0.13 -2.52 1.97 -1.04 -1.26 -4.87 114.28 106.21 3mwe n THR 348 Ca 0.00 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 3mwe n THR 348 Cb 0.02 -1.55 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 3mwe n THR 348 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3mwe s ASN 349 N 0.84 6.23 0.42 8.00 2.47 -1.26 -3.52 114.94 128.13 3mwe s ASN 349 Ca 0.77 -0.84 0.10 0.00 0.42 0.00 0.00 52.86 53.31 3mwe s ASN 349 Cb -0.67 -2.56 0.91 0.00 -1.45 0.00 0.00 41.25 37.48 3mwe s ASN 349 CO 0.39 -1.75 2.02 0.58 -3.72 0.00 0.00 177.10 174.62 3mwe h VAL 350 N 6.42 1.11 -0.61 -5.21 2.07 -1.41 -2.05 116.25 116.57 3mwe h VAL 350 Ca -0.07 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3mwe h VAL 350 Cb 1.04 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3mwe h VAL 350 CO 1.34 0.14 0.36 0.00 0.02 0.00 0.00 177.57 179.42 3mwe h ALA 351 N 1.75 0.77 -0.33 1.67 0.00 -1.66 -0.54 119.26 120.93 3mwe h ALA 351 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3mwe h ALA 351 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3mwe h ALA 351 CO -0.00 0.26 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 3mwe h ALA 352 N 1.18 0.46 -0.48 0.00 0.00 -1.75 -1.98 119.26 116.68 3mwe h ALA 352 Ca 0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3mwe h ALA 352 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3mwe h ALA 352 CO -0.04 0.33 0.14 1.79 0.00 0.00 0.00 179.25 181.47 3mwe h THR 353 N 0.43 1.23 -0.06 0.00 1.35 -1.28 -2.91 112.91 111.67 3mwe h THR 353 Ca 0.08 -0.79 -0.07 0.00 -0.55 0.00 0.00 66.41 65.08 3mwe h THR 353 Cb 0.64 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 3mwe h THR 353 CO 0.04 0.29 -0.30 -0.26 -0.25 0.00 0.00 175.52 175.03 3mwe h PHE 354 N 0.65 0.13 -0.87 4.73 -1.00 -1.07 -1.95 116.94 117.57 3mwe h PHE 354 Ca 0.15 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.96 3mwe h PHE 354 Cb 0.29 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.76 3mwe h PHE 354 CO 0.02 0.41 0.55 0.87 -1.61 0.00 0.00 178.31 178.55 3mwe h LYS 355 N 0.10 1.00 -0.42 1.51 1.57 -1.16 0.20 116.57 119.37 3mwe h LYS 355 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3mwe h LYS 355 Cb 0.59 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3mwe h LYS 355 CO 0.04 0.66 0.13 0.78 -0.57 0.00 0.00 179.45 180.49 3mwe h GLY 356 N 1.03 0.70 1.02 3.86 0.00 -1.26 -1.20 103.07 107.22 3mwe h GLY 356 Ca 0.36 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3mwe h GLY 356 CO -0.15 0.39 0.31 -2.22 0.00 0.00 0.00 176.54 174.87 3mwe h ILE 357 N 0.54 1.24 -0.52 2.60 2.04 -0.66 -2.31 117.51 120.44 3mwe h ILE 357 Ca 0.13 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3mwe h ILE 357 Cb 0.27 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3mwe h ILE 357 CO -0.00 0.29 0.31 0.58 0.00 0.00 0.00 178.15 179.33 3mwe h VAL 358 N 1.00 1.16 -0.95 1.67 2.07 -0.49 -0.83 116.25 119.88 3mwe h VAL 358 Ca 0.24 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3mwe h VAL 358 Cb 0.17 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3mwe h VAL 358 CO -0.02 0.16 0.62 0.03 0.02 0.00 0.00 177.57 178.38 3mwe h ARG 359 N 0.70 1.09 -0.49 1.57 3.08 -0.86 -1.12 114.38 118.35 3mwe h ARG 359 Ca 0.19 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3mwe h ARG 359 Cb -0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3mwe h ARG 359 CO -0.03 0.72 -0.04 0.00 -1.07 0.00 0.00 179.97 179.55 3mwe h ALA 360 N 1.47 0.66 -0.61 0.04 0.00 -0.84 -1.71 119.26 118.29 3mwe h ALA 360 Ca 0.40 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3mwe h ALA 360 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mwe h ALA 360 CO -0.14 0.50 0.04 0.82 0.00 0.00 0.00 179.25 180.47 3mwe h ILE 361 N 0.75 1.26 -0.64 0.00 2.04 -0.47 -1.78 117.51 118.67 3mwe h ILE 361 Ca 0.13 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 3mwe h ILE 361 Cb 0.56 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3mwe h ILE 361 CO 0.03 0.40 0.11 -0.09 0.00 0.00 0.00 178.15 178.60 3mwe h ARG 362 N 0.96 1.04 0.00 2.37 2.43 -1.10 0.86 114.38 120.93 3mwe h ARG 362 Ca 0.18 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3mwe h ARG 362 Cb 0.50 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3mwe h ARG 362 CO 0.02 0.95 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.74 3mwe h ASP 363 N 0.98 0.00 -0.22 -3.80 3.32 -0.75 -3.12 116.42 112.82 3mwe h ASP 363 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3mwe h ASP 363 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3mwe h ASP 363 CO 0.01 0.25 0.00 -1.22 -1.72 0.00 0.00 179.24 176.56 3mwe n TYR 364 N -3.46 0.51 -0.14 4.55 4.01 -0.72 -4.74 117.16 117.16 3mwe n TYR 364 Ca -0.00 -0.70 0.10 0.00 -0.16 0.00 0.00 57.90 57.14 3mwe n TYR 364 Cb 0.43 -0.15 0.43 0.00 -0.31 0.00 0.00 39.34 39.74 3mwe n TYR 364 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 3mwe h GLN 365 N 1.40 0.55 0.65 -0.72 3.07 -0.77 -1.35 115.11 117.94 3mwe h GLN 365 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 3mwe h GLN 365 Cb 0.98 -0.12 0.01 0.00 0.08 0.00 0.00 27.48 28.43 3mwe h GLN 365 CO 0.08 0.36 -0.31 0.78 0.09 0.00 0.00 178.83 179.83 3mwe h GLY 366 N 0.56 -0.91 1.92 0.06 0.00 -1.85 -2.31 103.07 100.54 3mwe h GLY 366 Ca 0.31 0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.99 3mwe h GLY 366 CO -0.10 -0.33 0.04 -2.55 0.00 0.00 0.00 176.54 173.59 3mwe h PRO 367 N -0.99 0.02 -0.59 4.80 0.11 -1.92 -2.58 132.00 130.84 3mwe h PRO 367 Ca -0.09 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 3mwe h PRO 367 Cb 0.67 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 3mwe h PRO 367 CO 0.15 0.02 0.20 -0.07 -0.21 0.00 0.00 178.00 178.08 3mwe h LEU 368 N 0.02 0.85 -0.72 2.35 3.38 -1.13 0.35 115.31 120.42 3mwe h LEU 368 Ca 0.02 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3mwe h LEU 368 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3mwe h LEU 368 CO -0.00 0.83 0.07 0.11 0.09 0.00 0.00 178.44 179.53 3mwe h LYS 369 N 0.84 1.05 -0.39 1.13 1.57 -1.18 -2.28 116.57 117.31 3mwe h LYS 369 Ca 0.19 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3mwe h LYS 369 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3mwe h LYS 369 CO -0.01 0.99 -0.01 0.93 -0.57 0.00 0.00 179.45 180.78 3mwe h GLU 370 N 0.98 0.63 -0.27 3.15 5.08 -1.07 -2.13 114.58 120.95 3mwe h GLU 370 Ca 0.19 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3mwe h GLU 370 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3mwe h GLU 370 CO 0.02 0.66 0.00 0.72 -1.00 0.00 0.00 179.01 179.40 3mwe n HIS 371 N -4.25 0.35 -3.61 4.33 8.25 0.08 -4.94 115.22 115.44 3mwe n HIS 371 Ca 0.02 -0.17 -0.20 0.00 -0.26 0.00 0.00 57.72 57.10 3mwe n HIS 371 Cb 0.27 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.43 3mwe n HIS 371 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3mwe n GLU 372 N 0.44 -5.02 -3.02 -0.41 1.02 -0.80 -3.68 120.64 109.17 3mwe n GLU 372 Ca 0.14 0.68 -0.40 0.00 -0.02 0.00 0.00 57.16 57.57 3mwe n GLU 372 Cb 0.32 -5.34 -0.05 0.00 -0.02 0.00 0.00 31.44 26.35 3mwe n GLU 372 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3mwe s VAL 373 N -3.57 4.94 -0.10 2.62 1.01 -0.90 -1.70 120.40 122.71 3mwe s VAL 373 Ca 0.05 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 3mwe s VAL 373 Cb -0.01 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3mwe s VAL 373 CO 0.79 0.29 -0.05 -0.89 0.00 0.00 0.00 175.10 175.24 3mwe s THR 374 N 0.51 3.85 -0.13 3.92 2.01 0.13 -4.40 115.64 121.53 3mwe s THR 374 Ca 0.38 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3mwe s THR 374 Cb -0.19 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 3mwe s THR 374 CO 0.20 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.94 3mwe s ILE 375 N -0.37 3.16 -0.12 1.82 1.01 -0.34 -1.33 121.20 125.03 3mwe s ILE 375 Ca 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 3mwe s ILE 375 Cb -0.12 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3mwe s ILE 375 CO 0.02 0.52 -0.11 -0.36 0.00 0.00 0.00 174.94 175.01 3mwe s PHE 376 N 0.35 2.84 -0.07 3.97 0.40 -0.20 -0.75 117.98 124.52 3mwe s PHE 376 Ca -0.10 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.77 3mwe s PHE 376 Cb -0.16 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.57 3mwe s PHE 376 CO 0.05 -0.09 -0.10 0.08 0.70 0.00 0.00 175.22 175.86 3mwe s VAL 377 N 0.12 1.05 -0.07 -0.44 1.01 0.08 0.11 120.40 122.26 3mwe s VAL 377 Ca -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3mwe s VAL 377 Cb -0.15 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.28 3mwe s VAL 377 CO 0.04 0.35 0.14 -0.60 0.00 0.00 0.00 175.10 175.03 3mwe s ARG 378 N 0.92 0.05 -0.06 2.72 3.00 -0.72 0.21 118.95 125.07 3mwe s ARG 378 Ca -0.10 0.45 -0.29 0.00 -1.00 0.00 0.00 55.73 54.79 3mwe s ARG 378 Cb -0.15 -0.24 0.06 0.00 0.00 0.00 0.00 34.95 34.62 3mwe s ARG 378 CO 0.01 -0.24 0.64 0.50 0.00 0.00 0.00 175.30 176.21 3mwe s ARG 379 N 1.72 1.00 0.31 5.12 3.00 -1.20 -2.22 118.95 126.67 3mwe s ARG 379 Ca -0.03 0.27 0.03 0.00 -1.00 0.00 0.00 55.73 55.00 3mwe s ARG 379 Cb -0.12 0.47 -0.05 0.00 0.00 0.00 0.00 34.95 35.25 3mwe s ARG 379 CO -0.06 -0.29 0.09 0.20 0.00 0.00 0.00 175.30 175.24 3mwe s GLY 380 N -1.07 2.03 0.00 8.12 0.00 -1.17 -4.48 107.32 110.75 3mwe s GLY 380 Ca -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.78 3mwe s GLY 380 CO 0.09 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.08 3mwe n GLY 381 N -0.63 1.20 3.66 0.20 0.00 -1.26 -2.08 105.19 106.28 3mwe n GLY 381 Ca -0.02 -2.03 -0.48 0.00 0.00 0.00 0.00 46.02 43.49 3mwe n GLY 381 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mwe n PRO 382 N -1.72 2.12 -1.88 1.61 -0.02 -1.23 -1.78 135.00 132.10 3mwe n PRO 382 Ca 0.00 0.76 -0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3mwe n PRO 382 Cb 0.00 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 30.78 3mwe n PRO 382 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mwe n ASN 383 N 7.29 -3.10 0.14 2.55 3.02 -1.26 -1.16 115.26 122.74 3mwe n ASN 383 Ca 0.24 0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.84 3mwe n ASN 383 Cb 0.31 -2.09 0.22 0.00 -0.61 0.00 0.00 39.78 37.60 3mwe n ASN 383 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3mwe h TYR 384 N 0.00 0.03 -0.67 3.10 -0.00 -1.70 -2.67 116.97 115.05 3mwe h TYR 384 Ca -0.17 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.52 3mwe h TYR 384 Cb 0.95 -0.01 -0.03 0.00 -0.00 0.00 0.00 36.73 37.64 3mwe h TYR 384 CO 0.20 0.57 0.30 1.96 -0.00 0.00 0.00 178.16 181.19 3mwe h GLN 385 N 0.02 0.98 -0.41 0.10 7.50 -1.92 0.15 115.11 121.54 3mwe h GLN 385 Ca -0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 58.65 58.99 3mwe h GLN 385 Cb 0.98 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 28.32 3mwe h GLN 385 CO 0.07 0.80 0.25 1.49 -1.50 0.00 0.00 178.83 179.94 3mwe h GLU 386 N 0.94 0.55 -0.66 1.46 4.81 -1.94 -2.16 114.58 117.58 3mwe h GLU 386 Ca 0.23 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3mwe h GLU 386 Cb 0.15 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3mwe h GLU 386 CO -0.02 0.40 0.41 0.78 -0.73 0.00 0.00 179.01 179.84 3mwe h GLY 387 N 0.54 0.95 1.57 1.92 0.00 -1.01 -1.84 103.07 105.20 3mwe h GLY 387 Ca 0.15 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3mwe h GLY 387 CO -0.03 0.37 -0.10 1.41 0.00 0.00 0.00 176.54 178.20 3mwe h LEU 388 N 0.89 0.50 0.10 3.11 3.38 -0.64 -2.46 115.31 120.20 3mwe h LEU 388 Ca 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3mwe h LEU 388 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3mwe h LEU 388 CO -0.05 0.64 -0.05 -0.09 0.09 0.00 0.00 178.44 178.99 3mwe h ARG 389 N 0.49 -0.12 0.00 1.13 2.43 -0.80 -1.90 114.38 115.60 3mwe h ARG 389 Ca 0.09 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3mwe h ARG 389 Cb 0.47 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3mwe h ARG 389 CO 0.03 0.09 -0.06 -0.39 -1.51 0.00 0.00 179.97 178.12 3mwe h VAL 390 N -0.32 0.31 -0.16 0.20 -1.51 -1.26 -0.31 116.25 113.21 3mwe h VAL 390 Ca -0.01 -0.37 -0.22 0.00 -1.23 0.00 0.00 66.70 64.87 3mwe h VAL 390 Cb 0.27 1.28 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 3mwe h VAL 390 CO 0.02 0.06 -0.77 0.24 -1.23 0.00 0.00 177.57 175.89 3mwe h MET 391 N 0.00 0.80 -0.46 5.19 2.86 -1.17 -1.89 114.93 120.26 3mwe h MET 391 Ca -0.00 -0.64 -0.10 0.00 -2.06 0.00 0.00 59.70 56.90 3mwe h MET 391 Cb 0.27 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3mwe h MET 391 CO 0.01 1.25 -0.10 0.78 1.06 0.00 0.00 176.91 179.91 3mwe h GLY 392 N 0.58 0.95 0.68 8.32 0.00 -0.54 -2.84 103.07 110.22 3mwe h GLY 392 Ca -0.05 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.52 3mwe h GLY 392 CO 0.16 0.71 -0.19 0.83 0.00 0.00 0.00 176.54 178.04 3mwe h GLU 393 N 0.72 -0.36 -0.04 4.80 5.08 -1.08 -1.82 114.58 121.88 3mwe h GLU 393 Ca 0.12 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3mwe h GLU 393 Cb 0.64 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3mwe h GLU 393 CO 0.04 -0.24 0.04 -0.24 -1.00 0.00 0.00 179.01 177.61 3mwe h VAL 394 N -0.37 0.55 0.48 3.13 3.04 -1.30 -0.11 116.25 121.67 3mwe h VAL 394 Ca 0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.69 3mwe h VAL 394 Cb 0.39 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3mwe h VAL 394 CO -0.10 0.00 -0.23 1.23 -1.01 0.00 0.00 177.57 177.46 3mwe h GLY 395 N 0.00 -0.68 0.64 3.17 0.00 -1.10 -1.14 103.07 103.96 3mwe h GLY 395 Ca 0.02 0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.66 3mwe h GLY 395 CO -0.00 -0.25 0.27 0.50 0.00 0.00 0.00 176.54 177.06 3mwe h LYS 396 N -0.98 0.49 -0.21 4.80 1.57 -0.89 0.33 116.57 121.68 3mwe h LYS 396 Ca -0.07 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3mwe h LYS 396 Cb 0.59 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3mwe h LYS 396 CO 0.11 0.33 0.06 1.15 -0.57 0.00 0.00 179.45 180.52 3mwe h THR 397 N 0.51 0.92 0.00 -0.16 2.02 -1.07 -3.24 112.91 111.90 3mwe h THR 397 Ca 0.25 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 3mwe h THR 397 Cb 0.20 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3mwe h THR 397 CO -0.19 0.03 -0.80 0.71 0.37 0.00 0.00 175.52 175.63 3mwe h THR 398 N 0.15 0.17 0.00 3.16 1.35 -0.98 -3.47 112.91 113.28 3mwe h THR 398 Ca 0.09 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 3mwe h THR 398 Cb 0.08 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3mwe h THR 398 CO -0.11 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3mwe n GLY 399 N 1.20 0.73 3.73 5.82 0.00 0.09 -5.02 105.19 111.74 3mwe n GLY 399 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3mwe n GLY 399 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mwe s ILE 400 N -2.68 4.89 -0.17 -0.61 1.01 -1.12 -5.01 121.20 117.52 3mwe s ILE 400 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 3mwe s ILE 400 Cb 0.00 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3mwe s ILE 400 CO 0.00 0.28 1.61 -2.84 0.00 0.00 0.00 174.94 173.99 3mwe s PRO 401 N 0.51 3.92 -0.17 2.79 0.02 -1.26 -4.54 135.00 136.27 3mwe s PRO 401 Ca 0.41 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.23 3mwe s PRO 401 Cb -0.19 -4.01 0.05 0.00 0.02 0.00 0.00 34.50 30.37 3mwe s PRO 401 CO 0.22 -1.15 -0.00 0.42 -0.33 0.00 0.00 177.00 176.16 3mwe s ILE 402 N 4.82 0.74 -0.27 2.83 1.01 -1.26 -1.20 121.20 127.88 3mwe s ILE 402 Ca 0.71 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 3mwe s ILE 402 Cb -0.27 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 3mwe s ILE 402 CO 0.28 -0.03 0.17 -1.00 0.00 0.00 0.00 174.94 174.37 3mwe s HIS 403 N 1.78 3.21 -0.00 3.97 3.76 0.07 -4.86 115.29 123.21 3mwe s HIS 403 Ca 0.00 0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.00 3mwe s HIS 403 Cb -0.16 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 3mwe s HIS 403 CO -0.07 -0.17 -0.07 0.14 -0.85 0.00 0.00 174.74 173.71 3mwe s VAL 404 N 1.71 3.59 0.03 -0.90 -7.23 -1.26 -0.74 120.40 115.59 3mwe s VAL 404 Ca 0.07 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 3mwe s VAL 404 Cb -0.16 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 3mwe s VAL 404 CO 0.10 0.41 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.92 3mwe s PHE 405 N -0.97 0.31 0.00 2.82 0.40 0.13 -4.96 117.98 115.72 3mwe s PHE 405 Ca 0.16 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 3mwe s PHE 405 Cb -0.11 -0.23 0.00 0.00 0.51 0.00 0.00 43.02 43.19 3mwe s PHE 405 CO 0.07 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.15 3mwe n GLY 406 N 1.18 4.33 0.03 4.36 0.00 -1.26 -3.22 105.19 110.61 3mwe n GLY 406 Ca -0.21 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3mwe n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mwe n THR 407 N 0.00 0.35 0.23 2.61 -2.24 -1.26 -2.28 114.28 111.69 3mwe n THR 407 Ca 0.00 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3mwe n THR 407 Cb 0.00 -0.64 0.52 0.00 -2.10 0.00 0.00 70.33 68.11 3mwe n THR 407 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3mwe h GLU 408 N 0.00 0.00 -5.60 -0.78 9.09 -1.98 -3.42 114.58 111.90 3mwe h GLU 408 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.82 3mwe h GLU 408 Cb 0.50 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.50 3mwe h GLU 408 CO 0.00 0.21 -0.01 0.99 0.05 0.00 0.00 179.01 180.25 3mwe s THR 409 N -3.78 5.09 0.25 -1.06 2.01 -0.96 -5.01 115.64 112.18 3mwe s THR 409 Ca -0.00 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.72 3mwe s THR 409 Cb 0.11 -3.87 -0.14 0.00 0.01 0.00 0.00 72.50 68.61 3mwe s THR 409 CO 0.63 0.17 1.19 1.57 -0.69 0.00 0.00 174.62 177.49 3mwe n HIS 410 N 4.73 1.65 -0.26 4.92 -0.00 -1.26 -4.83 115.22 120.17 3mwe n HIS 410 Ca -0.04 0.61 0.07 0.00 0.46 0.00 0.00 57.72 58.81 3mwe n HIS 410 Cb 0.50 -2.33 0.20 0.00 -0.12 0.00 0.00 29.99 28.23 3mwe n HIS 410 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 3mwe h MET 411 N 3.02 0.27 -0.01 1.57 4.05 -1.92 -0.05 114.93 121.86 3mwe h MET 411 Ca -0.43 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3mwe h MET 411 Cb 1.32 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3mwe h MET 411 CO 0.67 0.18 0.00 0.25 0.23 0.00 0.00 176.91 178.24 3mwe n THR 412 N -5.15 0.00 0.08 -0.77 -2.24 -1.26 -4.22 114.28 100.72 3mwe n THR 412 Ca 0.15 -0.21 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3mwe n THR 412 Cb 0.49 0.32 0.49 0.00 -2.10 0.00 0.00 70.33 69.53 3mwe n THR 412 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mwe h ALA 413 N 4.29 1.80 0.00 6.98 0.00 -1.34 -1.78 119.26 129.21 3mwe h ALA 413 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3mwe h ALA 413 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mwe h ALA 413 CO 0.00 0.19 -0.07 -0.84 0.00 0.00 0.00 179.25 178.53 3mwe h ILE 414 N 0.39 0.42 -0.45 0.00 3.07 -1.76 -2.11 117.51 117.07 3mwe h ILE 414 Ca 0.11 -0.37 -0.08 0.00 1.55 0.00 0.00 64.86 66.07 3mwe h ILE 414 Cb -0.04 1.25 -0.02 0.00 -0.27 0.00 0.00 36.82 37.75 3mwe h ILE 414 CO -0.02 0.07 -0.02 0.58 -1.05 0.00 0.00 178.15 177.71 3mwe h VAL 415 N 0.00 1.26 -0.72 0.16 2.07 -1.63 0.13 116.25 117.52 3mwe h VAL 415 Ca -0.00 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3mwe h VAL 415 Cb 0.25 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3mwe h VAL 415 CO 0.01 0.37 0.24 1.23 0.02 0.00 0.00 177.57 179.44 3mwe h GLY 416 N 0.66 1.20 0.93 2.17 0.00 -1.51 -2.35 103.07 104.16 3mwe h GLY 416 Ca 0.13 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 3mwe h GLY 416 CO 0.03 0.65 0.05 -0.33 0.00 0.00 0.00 176.54 176.95 3mwe h MET 417 N 1.06 0.14 -0.94 4.80 2.07 -1.17 0.23 114.93 121.12 3mwe h MET 417 Ca 0.23 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.91 3mwe h MET 417 Cb 0.29 -0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 29.93 3mwe h MET 417 CO -0.01 0.18 0.60 0.00 1.07 0.00 0.00 176.91 178.75 3mwe h ALA 418 N 0.95 1.31 -0.01 6.32 0.00 -0.87 -2.27 119.26 124.69 3mwe h ALA 418 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mwe h ALA 418 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mwe h ALA 418 CO -0.01 0.36 -0.02 1.28 0.00 0.00 0.00 179.25 180.86 3mwe n LEU 419 N -4.56 1.47 -0.80 0.00 4.77 -0.89 -4.93 117.00 112.06 3mwe n LEU 419 Ca 0.14 -0.48 -0.08 0.00 -0.03 0.00 0.00 56.01 55.56 3mwe n LEU 419 Cb 0.19 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3mwe n LEU 419 CO 0.31 0.25 -0.09 0.61 -1.33 0.00 0.00 177.39 177.14 3mwe n GLY 420 N 1.19 0.29 0.03 -0.72 0.00 -0.70 -4.92 105.19 100.35 3mwe n GLY 420 Ca 0.19 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3mwe n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mwe n HIS 421 N -3.69 0.21 -3.51 1.61 8.25 -0.01 -4.92 115.22 113.17 3mwe n HIS 421 Ca -0.09 0.06 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 3mwe n HIS 421 Cb 0.49 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 3mwe n HIS 421 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3mwe s ARG 422 N -3.08 1.17 0.57 -0.41 1.70 -1.20 -4.99 118.95 112.71 3mwe s ARG 422 Ca 0.09 -0.47 -0.15 0.00 -0.47 0.00 0.00 55.73 54.73 3mwe s ARG 422 Cb 0.16 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 35.02 3mwe s ARG 422 CO 0.72 -0.48 1.02 -2.14 -1.08 0.00 0.00 175.30 173.33 3mwe s PRO 423 N -3.46 3.66 -0.31 3.89 0.02 -1.26 -4.27 135.00 133.28 3mwe s PRO 423 Ca 0.00 0.95 -0.25 0.00 0.02 0.00 0.00 61.00 61.72 3mwe s PRO 423 Cb -0.00 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.43 3mwe s PRO 423 CO -0.10 -0.51 0.88 0.42 -0.33 0.00 0.00 177.00 177.35 3mwe s ILE 424 N -2.76 4.71 -2.00 2.83 1.01 -1.26 -4.83 121.20 118.90 3mwe s ILE 424 Ca 0.59 1.37 0.11 0.00 0.00 0.00 0.00 60.65 62.71 3mwe s ILE 424 Cb -0.12 -4.23 0.32 0.00 0.01 0.00 0.00 42.46 38.44 3mwe s ILE 424 CO 0.40 -0.31 1.10 -2.65 0.00 0.00 0.00 174.94 173.47