#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwo s TRP 5 N 0.00 2.66 0.00 1.57 1.48 -1.26 -4.88 118.94 118.51 3mwo s TRP 5 Ca 0.00 1.55 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 3mwo s TRP 5 Cb 0.00 -3.16 0.00 0.00 -1.16 0.00 0.00 33.47 29.15 3mwo s TRP 5 CO 0.00 -1.63 0.00 0.41 -4.06 0.00 0.00 176.95 171.67 3mwo n GLY 6 N -0.54 2.59 0.10 3.67 0.00 -0.50 -5.03 105.19 105.48 3mwo n GLY 6 Ca 0.10 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.84 3mwo n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mwo n TYR 7 N 0.00 0.00 -2.21 1.61 4.01 -1.26 -3.78 117.16 115.52 3mwo n TYR 7 Ca 0.00 -0.58 -0.19 0.00 -0.16 0.00 0.00 57.90 56.97 3mwo n TYR 7 Cb 0.00 -0.09 0.11 0.00 -0.31 0.00 0.00 39.34 39.06 3mwo n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mwo n GLY 8 N -0.76 -0.09 0.34 2.72 0.00 -1.26 -4.67 105.19 101.47 3mwo n GLY 8 Ca 0.07 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 3mwo n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mwo h LYS 9 N 0.00 1.03 -0.00 1.61 3.64 -1.97 0.11 116.57 120.99 3mwo h LYS 9 Ca -0.27 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3mwo h LYS 9 Cb 0.90 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3mwo h LYS 9 CO 0.25 0.75 -0.82 0.72 -2.27 0.00 0.00 179.45 178.08 3mwo n HIS 10 N -4.36 0.00 -1.10 1.91 8.25 -1.26 -4.49 115.22 114.17 3mwo n HIS 10 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3mwo n HIS 10 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3mwo n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3mwo n ASN 11 N -1.07 0.23 -2.51 0.41 6.94 -1.19 -4.95 115.26 113.12 3mwo n ASN 11 Ca 0.05 -1.33 -0.07 0.00 -0.02 0.00 0.00 54.58 53.21 3mwo n ASN 11 Cb 0.36 -0.05 0.05 0.00 -2.36 0.00 0.00 39.78 37.78 3mwo n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mwo n GLY 12 N -0.08 -1.40 0.45 4.83 0.00 0.37 -1.41 105.19 107.95 3mwo n GLY 12 Ca 0.00 -1.65 0.28 0.00 0.00 0.00 0.00 46.02 44.65 3mwo n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mwo h PRO 13 N 0.00 0.25 0.00 1.61 0.11 -1.84 0.20 132.00 132.33 3mwo h PRO 13 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3mwo h PRO 13 Cb 0.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3mwo h PRO 13 CO 0.07 0.16 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 3mwo n GLU 14 N -4.53 0.00 -0.01 1.05 -0.58 -1.26 -2.77 120.64 112.55 3mwo n GLU 14 Ca 0.27 0.20 0.09 0.00 -0.42 0.00 0.00 57.16 57.30 3mwo n GLU 14 Cb 1.05 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 30.28 3mwo n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3mwo n HIS 15 N -1.50 0.00 0.12 -0.32 8.25 0.69 -4.64 115.22 117.83 3mwo n HIS 15 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 3mwo n HIS 15 Cb 0.20 -0.34 0.56 0.00 1.12 0.00 0.00 29.99 31.54 3mwo n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3mwo h TRP 16 N 0.00 0.21 -0.02 4.41 6.55 -1.43 -2.20 115.95 123.46 3mwo h TRP 16 Ca 0.00 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.85 3mwo h TRP 16 Cb 0.78 -0.07 -0.00 0.00 -0.86 0.00 0.00 29.16 29.01 3mwo h TRP 16 CO 0.00 0.12 0.03 1.12 -1.05 0.00 0.00 178.44 178.67 3mwo h HIS 17 N 0.22 0.00 -0.33 0.49 2.07 -1.79 -0.08 115.15 115.72 3mwo h HIS 17 Ca 0.10 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.56 3mwo h HIS 17 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 3mwo h HIS 17 CO -0.00 0.00 -0.02 0.87 -3.07 0.00 0.00 177.93 175.71 3mwo h LYS 18 N 0.00 0.60 0.00 5.12 1.57 -1.75 -2.68 116.57 119.43 3mwo h LYS 18 Ca 0.01 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 3mwo h LYS 18 Cb 0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3mwo h LYS 18 CO -0.00 0.74 -1.04 -0.44 -0.57 0.00 0.00 179.45 178.13 3mwo h ASP 19 N 0.40 0.00 -2.57 0.86 3.32 -1.64 -3.42 116.42 113.37 3mwo h ASP 19 Ca 0.09 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.55 3mwo h ASP 19 Cb 0.48 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.64 3mwo h ASP 19 CO 0.02 0.65 -0.87 -0.36 -1.72 0.00 0.00 179.24 176.96 3mwo s PHE 20 N -2.87 1.64 0.63 4.55 0.08 -0.08 -4.99 117.98 116.94 3mwo s PHE 20 Ca 0.00 -2.52 0.34 0.00 0.12 0.00 0.00 56.93 54.87 3mwo s PHE 20 Cb 0.08 -1.34 1.88 0.00 -0.57 0.00 0.00 43.02 43.07 3mwo s PHE 20 CO 0.79 -0.77 2.13 -1.35 -0.10 0.00 0.00 175.22 175.92 3mwo h PRO 21 N 5.69 0.00 0.00 0.24 0.11 -1.72 -0.06 132.00 136.26 3mwo h PRO 21 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3mwo h PRO 21 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mwo h PRO 21 CO 0.44 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.74 3mwo n ILE 22 N -3.33 1.39 0.08 4.15 3.06 -1.26 -2.15 119.36 121.30 3mwo n ILE 22 Ca -0.01 0.43 0.20 0.00 -2.50 0.00 0.00 62.75 60.87 3mwo n ILE 22 Cb 0.27 -1.35 0.74 0.00 0.54 0.00 0.00 39.64 39.84 3mwo n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mwo h ALA 23 N 2.18 2.22 -0.57 1.51 0.00 -1.31 0.82 119.26 124.10 3mwo h ALA 23 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3mwo h ALA 23 Cb 0.12 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3mwo h ALA 23 CO 0.00 -0.57 0.13 1.63 0.00 0.00 0.00 179.25 180.44 3mwo n LYS 24 N -4.03 3.68 -0.54 0.00 5.02 -0.91 -4.96 118.16 116.43 3mwo n LYS 24 Ca 0.07 -3.07 -0.10 0.00 -2.02 0.00 0.00 58.31 53.19 3mwo n LYS 24 Cb 0.54 -2.12 0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3mwo n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mwo n GLY 25 N -0.14 -1.73 0.12 0.72 0.00 0.28 -4.99 105.19 99.45 3mwo n GLY 25 Ca 0.33 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.87 3mwo n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mwo n GLU 26 N -2.20 0.40 -2.72 1.61 -0.58 -1.26 -4.33 120.64 111.56 3mwo n GLU 26 Ca 0.05 -0.25 -0.06 0.00 -0.42 0.00 0.00 57.16 56.49 3mwo n GLU 26 Cb 0.20 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.61 3mwo n GLU 26 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mwo n ARG 27 N -1.09 1.62 -3.04 3.49 1.74 -1.26 -4.51 116.66 113.62 3mwo n ARG 27 Ca 0.08 -3.46 -0.32 0.00 -0.77 0.00 0.00 57.85 53.38 3mwo n ARG 27 Cb 0.35 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 3mwo n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3mwo s GLN 28 N -3.50 3.95 0.19 5.56 -1.52 -1.26 -2.66 119.66 120.42 3mwo s GLN 28 Ca 0.29 0.64 0.09 0.00 -1.95 0.00 0.00 55.36 54.42 3mwo s GLN 28 Cb 0.39 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.73 3mwo s GLN 28 CO -0.01 0.09 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.83 3mwo s SER 29 N -2.52 2.73 1.03 5.90 0.01 -1.26 -4.65 113.70 114.94 3mwo s SER 29 Ca 0.54 -0.94 -0.14 0.00 1.31 0.00 0.00 55.95 56.72 3mwo s SER 29 Cb -0.10 -0.16 0.19 0.00 0.21 0.00 0.00 66.02 66.16 3mwo s SER 29 CO 0.21 -0.08 1.07 -0.81 0.41 0.00 0.00 173.24 174.04 3mwo n PRO 30 N -0.05 -1.29 -4.16 12.44 -0.04 -1.26 -4.53 135.00 136.12 3mwo n PRO 30 Ca -0.10 -1.65 -0.10 0.00 -0.04 0.00 0.00 63.50 61.60 3mwo n PRO 30 Cb 0.59 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.79 3mwo n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mwo s VAL 31 N -3.28 0.49 0.09 0.52 -7.23 -1.26 -0.47 120.40 109.24 3mwo s VAL 31 Ca 0.61 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 3mwo s VAL 31 Cb -0.02 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 35.10 3mwo s VAL 31 CO 0.43 -0.79 1.10 -0.62 -0.31 0.00 0.00 175.10 174.92 3mwo s ASP 32 N -3.03 7.24 -0.52 4.85 2.15 -1.26 -2.97 116.67 123.12 3mwo s ASP 32 Ca 0.14 1.94 -0.18 0.00 0.43 0.00 0.00 52.55 54.88 3mwo s ASP 32 Cb 0.06 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.17 3mwo s ASP 32 CO -0.04 -0.31 0.60 -0.63 -0.17 0.00 0.00 175.17 174.62 3mwo s ILE 33 N 0.56 4.93 -0.60 4.11 1.01 0.53 -4.94 121.20 126.80 3mwo s ILE 33 Ca 0.53 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 3mwo s ILE 33 Cb -0.27 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 37.93 3mwo s ILE 33 CO 0.31 -0.84 1.09 -0.62 0.00 0.00 0.00 174.94 174.88 3mwo s ASP 34 N 2.90 6.34 0.43 3.58 -1.08 -1.26 -0.86 116.67 126.72 3mwo s ASP 34 Ca 0.12 -0.24 0.20 0.00 -0.52 0.00 0.00 52.55 52.11 3mwo s ASP 34 Cb -0.21 -2.50 0.99 0.00 -1.46 0.00 0.00 42.92 39.73 3mwo s ASP 34 CO 0.10 -1.44 1.90 0.71 0.52 0.00 0.00 175.17 176.96 3mwo h THR 35 N 6.07 0.90 0.00 1.71 1.35 -1.95 -1.53 112.91 119.46 3mwo h THR 35 Ca -0.26 -1.03 -0.14 0.00 -0.55 0.00 0.00 66.41 64.43 3mwo h THR 35 Cb 1.06 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 3mwo h THR 35 CO 1.16 0.26 -0.69 0.45 -0.25 0.00 0.00 175.52 176.46 3mwo h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.26 115.15 118.45 3mwo h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mwo h HIS 36 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3mwo h HIS 36 CO 0.00 0.69 -0.98 2.41 0.86 0.00 0.00 177.93 180.91 3mwo n THR 37 N -3.37 0.32 -1.98 2.45 -1.04 -0.90 -4.86 114.28 104.90 3mwo n THR 37 Ca 0.01 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 3mwo n THR 37 Cb 0.77 -0.03 -0.02 0.00 -1.82 0.00 0.00 70.33 69.24 3mwo n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mwo s ALA 38 N -3.25 3.62 -0.22 2.41 0.00 -0.63 -4.87 121.76 118.82 3mwo s ALA 38 Ca 0.03 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 3mwo s ALA 38 Cb 0.13 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3mwo s ALA 38 CO 0.78 -0.78 0.13 0.21 0.00 0.00 0.00 175.76 176.11 3mwo s LYS 39 N -0.75 4.07 0.19 0.00 2.20 -0.83 -4.81 119.74 119.81 3mwo s LYS 39 Ca 0.58 -0.28 -0.32 0.00 -0.36 0.00 0.00 55.97 55.59 3mwo s LYS 39 Cb -0.43 -3.45 -0.12 0.00 -1.51 0.00 0.00 37.83 32.32 3mwo s LYS 39 CO 0.47 0.14 1.73 0.98 -0.36 0.00 0.00 175.35 178.31 3mwo n TYR 40 N 4.01 2.68 -3.98 4.03 9.36 -1.26 -0.74 117.16 131.25 3mwo n TYR 40 Ca -0.16 0.03 -0.32 0.00 3.32 0.00 0.00 57.90 60.77 3mwo n TYR 40 Cb 0.52 -2.67 -0.14 0.00 -0.63 0.00 0.00 39.34 36.41 3mwo n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3mwo s ASP 41 N 1.45 4.84 0.32 2.98 -1.08 -0.44 -4.87 116.67 119.88 3mwo s ASP 41 Ca 0.77 -2.13 0.24 0.00 -0.52 0.00 0.00 52.55 50.92 3mwo s ASP 41 Cb -0.52 -1.66 1.16 0.00 -1.46 0.00 0.00 42.92 40.44 3mwo s ASP 41 CO 0.34 -0.40 1.74 -0.65 0.52 0.00 0.00 175.17 176.72 3mwo h PRO 42 N 7.68 0.00 0.00 4.34 0.11 -1.94 -1.55 132.00 140.64 3mwo h PRO 42 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3mwo h PRO 42 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3mwo h PRO 42 CO 0.55 0.00 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.20 3mwo n SER 43 N -2.34 0.39 -4.74 -2.05 3.41 -1.26 -4.83 113.62 102.20 3mwo n SER 43 Ca 0.00 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 3mwo n SER 43 Cb 0.14 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.43 3mwo n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mwo s LEU 44 N -3.73 4.43 0.50 1.04 1.43 -0.59 -5.03 118.68 116.73 3mwo s LEU 44 Ca 0.12 2.39 -0.07 0.00 -1.03 0.00 0.00 54.13 55.55 3mwo s LEU 44 Cb 0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3mwo s LEU 44 CO 0.56 -0.49 0.83 -0.54 0.23 0.00 0.00 176.35 176.94 3mwo s LYS 45 N -0.29 3.57 0.47 1.70 3.01 -1.19 -4.98 119.74 122.04 3mwo s LYS 45 Ca 0.55 0.31 -0.24 0.00 -1.01 0.00 0.00 55.97 55.59 3mwo s LYS 45 Cb -0.36 -2.32 -0.08 0.00 -1.01 0.00 0.00 37.83 34.06 3mwo s LYS 45 CO 0.39 -0.26 1.32 -2.30 0.51 0.00 0.00 175.35 175.01 3mwo n PRO 46 N -2.29 1.90 -2.24 -1.68 -0.02 -1.26 -2.94 135.00 126.47 3mwo n PRO 46 Ca 0.02 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 3mwo n PRO 46 Cb 0.55 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3mwo n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mwo s LEU 47 N -2.46 4.45 -0.32 2.45 2.96 -1.26 -1.62 118.68 122.89 3mwo s LEU 47 Ca 0.65 2.48 -0.06 0.00 -0.22 0.00 0.00 54.13 56.97 3mwo s LEU 47 Cb -0.46 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.63 3mwo s LEU 47 CO 0.55 -0.44 0.09 -0.55 -1.32 0.00 0.00 176.35 174.68 3mwo s SER 48 N -0.26 5.19 -0.31 3.68 0.15 -0.13 -4.86 113.70 117.15 3mwo s SER 48 Ca 0.51 -0.93 -0.04 0.00 0.70 0.00 0.00 55.95 56.18 3mwo s SER 48 Cb -0.37 -1.87 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 3mwo s SER 48 CO 0.44 -0.26 0.04 -0.69 1.20 0.00 0.00 173.24 173.98 3mwo s VAL 49 N 1.44 3.37 -0.56 4.45 1.01 -1.26 -1.55 120.40 127.31 3mwo s VAL 49 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.81 3mwo s VAL 49 Cb -0.18 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 33.46 3mwo s VAL 49 CO 0.02 -0.08 0.32 -0.44 0.00 0.00 0.00 175.10 174.92 3mwo s SER 50 N 1.34 4.67 0.00 3.32 0.01 -0.14 -4.90 113.70 118.00 3mwo s SER 50 Ca -0.03 -2.94 0.12 0.00 1.31 0.00 0.00 55.95 54.41 3mwo s SER 50 Cb -0.19 -1.72 0.29 0.00 0.21 0.00 0.00 66.02 64.61 3mwo s SER 50 CO 0.00 -0.29 1.21 -1.22 0.41 0.00 0.00 173.24 173.36 3mwo n TYR 51 N 3.27 0.41 0.15 2.43 4.01 -1.26 -1.57 117.16 124.60 3mwo n TYR 51 Ca 0.06 -0.41 0.13 0.00 -0.16 0.00 0.00 57.90 57.52 3mwo n TYR 51 Cb 0.34 -0.02 0.65 0.00 -0.31 0.00 0.00 39.34 40.01 3mwo n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3mwo h ASP 52 N 2.25 0.02 -0.39 7.72 2.03 -1.91 -2.13 116.42 124.01 3mwo h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mwo h ASP 52 Cb 0.71 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 3mwo h ASP 52 CO 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 3mwo n GLN 53 N -4.48 3.14 -1.74 4.15 1.13 -1.21 -5.01 117.38 113.35 3mwo n GLN 53 Ca 0.02 -2.56 -0.42 0.00 -1.94 0.00 0.00 57.00 52.10 3mwo n GLN 53 Cb 0.29 -1.65 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 3mwo n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mwo n ALA 54 N 0.29 2.06 -3.87 -1.58 0.00 -0.80 -4.70 120.51 111.91 3mwo n ALA 54 Ca 0.19 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 3mwo n ALA 54 Cb 0.72 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 3mwo n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mwo s THR 55 N -0.74 1.42 0.49 0.00 2.01 -1.26 -4.90 115.64 112.66 3mwo s THR 55 Ca 0.58 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 3mwo s THR 55 Cb -0.52 -1.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.96 3mwo s THR 55 CO 0.58 -0.48 1.02 -0.94 -0.69 0.00 0.00 174.62 174.12 3mwo s SER 56 N 1.37 6.42 -0.05 3.53 1.04 -1.26 -0.90 113.70 123.85 3mwo s SER 56 Ca 0.05 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 3mwo s SER 56 Cb -0.18 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 3mwo s SER 56 CO -0.14 -0.73 -0.09 0.18 0.98 0.00 0.00 173.24 173.44 3mwo n LEU 57 N -1.07 0.64 -3.70 2.42 4.77 0.78 -4.20 117.00 116.65 3mwo n LEU 57 Ca 0.09 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 3mwo n LEU 57 Cb 0.53 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3mwo n LEU 57 CO 0.40 -0.02 0.09 -0.13 -1.33 0.00 0.00 177.39 176.40 3mwo s ARG 58 N -2.14 0.97 -0.03 3.23 0.52 -1.13 -1.07 118.95 119.30 3mwo s ARG 58 Ca -0.09 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 3mwo s ARG 58 Cb 0.03 0.42 -0.01 0.00 0.52 0.00 0.00 34.95 35.91 3mwo s ARG 58 CO 0.11 -0.35 -0.22 -1.50 0.02 0.00 0.00 175.30 173.36 3mwo s ILE 59 N -3.45 1.77 -0.01 1.52 2.07 -0.24 -0.83 121.20 122.04 3mwo s ILE 59 Ca 0.01 -0.94 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 3mwo s ILE 59 Cb 0.02 -1.49 0.01 0.00 0.13 0.00 0.00 42.46 41.13 3mwo s ILE 59 CO -0.09 0.50 -0.01 -0.22 -1.91 0.00 0.00 174.94 173.21 3mwo s LEU 60 N -0.36 1.75 -0.42 8.50 2.96 -0.43 -1.16 118.68 129.51 3mwo s LEU 60 Ca 0.04 -0.03 -0.20 0.00 -0.22 0.00 0.00 54.13 53.73 3mwo s LEU 60 Cb -0.10 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.48 3mwo s LEU 60 CO 0.01 -0.01 0.58 0.21 -1.32 0.00 0.00 176.35 175.81 3mwo s ASN 61 N 0.27 6.29 0.00 3.68 3.84 -0.28 -0.63 114.94 128.12 3mwo s ASN 61 Ca -0.02 -0.38 0.20 0.00 0.21 0.00 0.00 52.86 52.86 3mwo s ASN 61 Cb -0.05 -2.29 0.57 0.00 -0.55 0.00 0.00 41.25 38.93 3mwo s ASN 61 CO -0.01 -0.70 1.47 -0.46 -2.79 0.00 0.00 177.10 174.62 3mwo n ASN 62 N 6.05 3.44 0.00 -4.21 0.23 -0.88 -0.59 115.26 119.29 3mwo n ASN 62 Ca -0.03 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 3mwo n ASN 62 Cb 0.48 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3mwo n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mwo n GLY 63 N 1.52 1.33 0.00 4.83 0.00 -1.26 -4.79 105.19 106.82 3mwo n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3mwo n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mwo n HIS 64 N -2.00 0.00 -3.38 1.61 -0.00 -1.26 -4.68 115.22 105.51 3mwo n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 3mwo n HIS 64 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3mwo n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mwo n ALA 65 N -0.82 -0.71 -2.79 1.59 0.00 -1.26 -4.88 120.51 111.63 3mwo n ALA 65 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 3mwo n ALA 65 Cb 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 3mwo n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mwo s PHE 66 N -6.00 2.78 -0.14 0.00 -0.71 -1.26 -2.07 117.98 110.58 3mwo s PHE 66 Ca 0.06 -0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 55.54 3mwo s PHE 66 Cb -0.01 -1.75 -0.03 0.00 -1.21 0.00 0.00 43.02 40.02 3mwo s PHE 66 CO 0.03 0.00 -0.03 -0.80 -1.34 0.00 0.00 175.22 173.09 3mwo s ASN 67 N -0.18 4.92 -0.39 1.98 -0.87 0.20 -4.25 114.94 116.34 3mwo s ASN 67 Ca 0.00 -0.07 -0.19 0.00 -1.57 0.00 0.00 52.86 51.03 3mwo s ASN 67 Cb -0.13 -1.72 0.01 0.00 -0.02 0.00 0.00 41.25 39.39 3mwo s ASN 67 CO 0.03 0.21 0.55 -0.69 -2.57 0.00 0.00 177.10 174.63 3mwo s VAL 68 N 0.13 4.96 -0.13 1.60 1.01 -0.11 -1.31 120.40 126.56 3mwo s VAL 68 Ca -0.00 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 3mwo s VAL 68 Cb -0.13 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3mwo s VAL 68 CO 0.02 -0.36 0.17 -1.61 0.00 0.00 0.00 175.10 173.32 3mwo s GLU 69 N 2.50 3.66 0.15 2.72 2.02 -0.01 -1.33 118.70 128.41 3mwo s GLU 69 Ca 0.19 -0.09 0.07 0.00 0.02 0.00 0.00 54.97 55.16 3mwo s GLU 69 Cb -0.15 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 3mwo s GLU 69 CO 0.15 0.66 -0.03 -0.06 0.02 0.00 0.00 175.26 176.00 3mwo s PHE 70 N -0.71 2.81 -0.47 1.61 0.40 0.30 -0.16 117.98 121.76 3mwo s PHE 70 Ca 0.14 -0.14 -0.28 0.00 -0.60 0.00 0.00 56.93 56.05 3mwo s PHE 70 Cb -0.12 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.02 3mwo s PHE 70 CO 0.04 0.50 1.47 0.34 0.70 0.00 0.00 175.22 178.26 3mwo s ASP 71 N -2.72 6.16 -0.38 1.36 2.15 -0.08 -4.83 116.67 118.33 3mwo s ASP 71 Ca 0.26 0.63 0.06 0.00 0.43 0.00 0.00 52.55 53.93 3mwo s ASP 71 Cb -0.10 -2.54 0.54 0.00 -0.30 0.00 0.00 42.92 40.52 3mwo s ASP 71 CO 0.17 -1.62 1.63 -0.90 -0.17 0.00 0.00 175.17 174.29 3mwo n ASP 72 N 9.45 3.60 -0.23 -0.34 5.75 -1.26 -4.58 116.55 128.95 3mwo n ASP 72 Ca 0.16 -3.74 0.13 0.00 -0.01 0.00 0.00 54.79 51.32 3mwo n ASP 72 Cb 0.49 -0.71 0.31 0.00 -1.03 0.00 0.00 41.12 40.17 3mwo n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3mwo n SER 73 N -1.08 1.06 -4.28 -1.12 3.41 -1.26 -4.87 113.62 105.48 3mwo n SER 73 Ca 0.45 -0.87 -0.15 0.00 -0.26 0.00 0.00 58.87 58.03 3mwo n SER 73 Cb 1.17 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 65.22 3mwo n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mwo s GLN 74 N -2.58 1.25 -0.95 4.33 -0.21 -1.26 -5.08 119.66 115.16 3mwo s GLN 74 Ca 0.21 -1.64 -0.23 0.00 0.02 0.00 0.00 55.36 53.73 3mwo s GLN 74 Cb 0.19 -0.35 0.07 0.00 1.00 0.00 0.00 33.01 33.92 3mwo s GLN 74 CO 0.56 -0.17 1.34 0.34 -2.12 0.00 0.00 175.29 175.23 3mwo s ASP 75 N -3.25 6.47 0.00 5.90 2.15 -1.26 -4.67 116.67 122.02 3mwo s ASP 75 Ca 0.29 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.84 3mwo s ASP 75 Cb 0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3mwo s ASP 75 CO 0.08 -1.45 0.00 0.29 -0.17 0.00 0.00 175.17 173.92 3mwo n LYS 76 N 8.39 2.54 -3.57 4.34 5.02 -1.26 -4.98 118.16 128.64 3mwo n LYS 76 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.25 3mwo n LYS 76 Cb 0.50 -0.64 -0.13 0.00 -0.02 0.00 0.00 35.03 34.74 3mwo n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mwo s ALA 77 N -0.96 1.29 0.07 7.82 0.00 -1.26 -3.34 121.76 125.38 3mwo s ALA 77 Ca 0.00 -1.94 0.10 0.00 0.00 0.00 0.00 51.96 50.11 3mwo s ALA 77 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 3mwo s ALA 77 CO 0.00 -1.99 -0.26 0.14 0.00 0.00 0.00 175.76 173.65 3mwo s VAL 78 N 1.06 2.12 -0.14 0.00 -7.23 -0.61 -0.55 120.40 115.05 3mwo s VAL 78 Ca 0.16 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3mwo s VAL 78 Cb -0.22 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 3mwo s VAL 78 CO -0.07 0.26 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.68 3mwo s LEU 79 N -1.48 2.95 0.00 1.32 2.96 0.33 -0.96 118.68 123.80 3mwo s LEU 79 Ca 0.12 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3mwo s LEU 79 Cb -0.10 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.92 3mwo s LEU 79 CO 0.03 0.17 0.48 2.29 -1.32 0.00 0.00 176.35 178.00 3mwo n LYS 80 N 3.53 0.69 0.00 1.98 2.85 -0.59 -1.15 118.16 125.47 3mwo n LYS 80 Ca -0.18 -2.44 0.00 0.00 -1.05 0.00 0.00 58.31 54.64 3mwo n LYS 80 Cb 0.53 2.43 0.00 0.00 -0.65 0.00 0.00 35.03 37.34 3mwo n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mwo n GLY 81 N -0.51 -0.12 7.00 2.58 0.00 -1.26 -0.96 105.19 111.91 3mwo n GLY 81 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3mwo n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwo n GLY 82 N 0.00 3.36 0.13 -0.02 0.00 -0.64 -0.80 105.19 107.22 3mwo n GLY 82 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.05 3mwo n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mwo n PRO 83 N 14.00 0.87 -3.15 1.61 -0.04 -1.26 -3.16 135.00 143.87 3mwo n PRO 83 Ca 0.00 -0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 62.84 3mwo n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3mwo n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mwo s LEU 84 N -2.31 4.33 -0.19 1.53 1.43 0.02 -5.06 118.68 118.42 3mwo s LEU 84 Ca 0.34 1.35 -0.09 0.00 -1.03 0.00 0.00 54.13 54.71 3mwo s LEU 84 Cb 0.21 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3mwo s LEU 84 CO 0.43 0.04 0.10 -1.81 0.23 0.00 0.00 176.35 175.34 3mwo s ASP 85 N -1.68 5.90 0.00 2.29 1.01 -1.26 -4.26 116.67 118.66 3mwo s ASP 85 Ca 0.42 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.83 3mwo s ASP 85 Cb -0.16 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.75 3mwo s ASP 85 CO 0.20 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.37 3mwo n GLY 86 N 3.57 -1.10 3.13 0.21 0.00 -1.26 -4.93 105.19 104.81 3mwo n GLY 86 Ca -0.16 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 3mwo n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mwo s THR 87 N 0.00 1.31 -0.06 2.61 -4.23 -1.26 -4.43 115.64 109.59 3mwo s THR 87 Ca 0.00 -0.68 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 3mwo s THR 87 Cb 0.00 -1.11 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 3mwo s THR 87 CO 0.00 0.38 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.93 3mwo s TYR 88 N -0.16 2.13 -0.14 3.99 1.51 -0.30 -1.25 117.35 123.13 3mwo s TYR 88 Ca 0.01 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.36 3mwo s TYR 88 Cb -0.09 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3mwo s TYR 88 CO 0.01 -0.22 0.03 0.50 -1.11 0.00 0.00 175.55 174.75 3mwo s ARG 89 N 0.01 3.52 0.13 -0.62 3.52 0.39 -0.51 118.95 125.39 3mwo s ARG 89 Ca -0.06 -0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 54.86 3mwo s ARG 89 Cb -0.13 -3.01 -0.09 0.00 -1.56 0.00 0.00 34.95 30.15 3mwo s ARG 89 CO 0.04 0.47 1.51 -1.17 -0.81 0.00 0.00 175.30 175.35 3mwo s LEU 90 N -0.23 4.37 -0.08 -0.88 2.96 0.28 -1.19 118.68 123.91 3mwo s LEU 90 Ca 0.07 2.49 0.02 0.00 -0.22 0.00 0.00 54.13 56.49 3mwo s LEU 90 Cb -0.12 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 3mwo s LEU 90 CO 0.02 -0.77 -0.05 0.00 -1.32 0.00 0.00 176.35 174.23 3mwo n ILE 91 N 4.08 0.49 -3.54 6.68 3.06 -0.27 -4.53 119.36 125.34 3mwo n ILE 91 Ca 0.13 -0.22 -0.09 0.00 -2.50 0.00 0.00 62.75 60.07 3mwo n ILE 91 Cb 0.40 -0.81 -0.02 0.00 0.54 0.00 0.00 39.64 39.75 3mwo n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mwo s GLN 92 N -2.17 1.09 0.16 9.51 1.03 -1.21 -0.54 119.66 127.53 3mwo s GLN 92 Ca -0.09 -0.45 0.05 0.00 0.04 0.00 0.00 55.36 54.91 3mwo s GLN 92 Cb 0.03 0.47 -0.04 0.00 0.03 0.00 0.00 33.01 33.49 3mwo s GLN 92 CO 0.22 -0.48 -0.12 -0.59 -2.54 0.00 0.00 175.29 171.79 3mwo s PHE 93 N -3.40 1.39 0.32 9.60 -0.12 -0.44 -0.75 117.98 124.58 3mwo s PHE 93 Ca 0.05 -0.69 -0.14 0.00 -0.05 0.00 0.00 56.93 56.10 3mwo s PHE 93 Cb -0.01 -0.69 0.02 0.00 -0.63 0.00 0.00 43.02 41.71 3mwo s PHE 93 CO -0.08 0.16 0.65 -3.38 -0.05 0.00 0.00 175.22 172.52 3mwo s HIS 94 N -3.09 0.26 0.25 3.49 -3.43 -0.78 -0.93 115.29 111.05 3mwo s HIS 94 Ca 0.17 -0.74 0.07 0.00 -0.80 0.00 0.00 55.06 53.76 3mwo s HIS 94 Cb 0.01 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 3mwo s HIS 94 CO 0.02 -1.29 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.33 3mwo s PHE 95 N -3.20 1.82 -0.02 0.38 0.40 -1.26 -0.78 117.98 115.32 3mwo s PHE 95 Ca 0.18 -0.67 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3mwo s PHE 95 Cb -0.04 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 3mwo s PHE 95 CO 0.11 0.28 -0.20 -1.01 0.70 0.00 0.00 175.22 175.10 3mwo s HIS 96 N -3.04 1.77 0.23 0.36 3.76 -0.08 -4.74 115.29 113.54 3mwo s HIS 96 Ca 0.27 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.70 3mwo s HIS 96 Cb 0.02 -1.15 -0.00 0.00 1.11 0.00 0.00 32.58 32.56 3mwo s HIS 96 CO 0.10 -0.04 0.43 1.67 -0.85 0.00 0.00 174.74 176.04 3mwo s TRP 97 N -0.42 0.37 0.51 1.40 -2.14 -1.21 -0.93 118.94 116.52 3mwo s TRP 97 Ca 0.07 -0.72 0.08 0.00 2.66 0.00 0.00 56.10 58.18 3mwo s TRP 97 Cb -0.08 0.13 0.03 0.00 -3.10 0.00 0.00 33.47 30.45 3mwo s TRP 97 CO -0.00 -0.92 0.53 0.20 -2.66 0.00 0.00 176.95 174.09 3mwo s GLY 98 N -3.00 2.07 0.19 3.67 0.00 -1.18 -0.95 107.32 108.12 3mwo s GLY 98 Ca 0.21 -1.74 0.26 0.00 0.00 0.00 0.00 44.72 43.45 3mwo s GLY 98 CO 0.07 -1.75 1.73 -1.14 0.00 0.00 0.00 173.10 172.00 3mwo n SER 99 N -1.86 0.78 -3.92 1.64 3.41 -1.26 -4.30 113.62 108.11 3mwo n SER 99 Ca 0.06 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 3mwo n SER 99 Cb 0.62 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3mwo n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mwo s LEU 100 N -4.45 1.71 0.56 1.04 1.43 -1.26 -5.06 118.68 112.65 3mwo s LEU 100 Ca 0.10 -0.63 0.29 0.00 -1.03 0.00 0.00 54.13 52.86 3mwo s LEU 100 Cb 0.13 0.76 1.67 0.00 0.03 0.00 0.00 46.19 48.77 3mwo s LEU 100 CO 0.61 -0.62 2.17 0.44 0.23 0.00 0.00 176.35 179.19 3mwo h ASP 101 N 3.18 0.00 0.00 2.29 3.32 -1.92 -2.75 116.42 120.54 3mwo h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3mwo h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3mwo h ASP 101 CO 0.55 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 3mwo n GLY 102 N -1.01 -0.71 3.53 2.75 0.00 -1.26 -3.42 105.19 105.07 3mwo n GLY 102 Ca -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3mwo n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mwo s GLN 103 N -2.00 1.41 0.00 1.61 -2.07 -1.04 -4.70 119.66 112.87 3mwo s GLN 103 Ca 0.32 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.82 3mwo s GLN 103 Cb 0.15 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 3mwo s GLN 103 CO 0.25 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 3mwo n GLY 104 N -0.34 2.16 3.82 2.60 0.00 -1.02 -3.09 105.19 109.32 3mwo n GLY 104 Ca -0.07 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3mwo n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mwo s SER 105 N 0.00 5.74 -0.17 1.61 1.04 -0.51 -3.34 113.70 118.07 3mwo s SER 105 Ca 0.00 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 57.98 3mwo s SER 105 Cb 0.00 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.55 3mwo s SER 105 CO 0.00 -1.20 -0.19 -0.62 0.98 0.00 0.00 173.24 172.22 3mwo n GLU 106 N -2.48 0.49 -1.95 4.02 1.02 -1.26 -4.85 120.64 115.63 3mwo n GLU 106 Ca 0.08 0.44 -0.35 0.00 -0.02 0.00 0.00 57.16 57.31 3mwo n GLU 106 Cb 0.53 -1.62 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 3mwo n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mwo s HIS 107 N -2.44 2.42 0.21 -0.32 3.76 -1.26 -4.20 115.29 113.46 3mwo s HIS 107 Ca -0.21 1.54 0.08 0.00 -0.15 0.00 0.00 55.06 56.31 3mwo s HIS 107 Cb 0.04 -3.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.27 3mwo s HIS 107 CO 0.33 -2.09 -0.15 0.95 -0.85 0.00 0.00 174.74 172.94 3mwo s THR 108 N -1.77 1.77 -0.23 1.30 -4.23 -1.16 -4.68 115.64 106.64 3mwo s THR 108 Ca 0.75 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 3mwo s THR 108 Cb -0.28 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.57 3mwo s THR 108 CO 0.35 -0.58 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.06 3mwo s VAL 109 N -2.93 1.78 -1.53 2.29 1.01 -0.79 -0.35 120.40 119.88 3mwo s VAL 109 Ca 0.23 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 3mwo s VAL 109 Cb -0.01 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.51 3mwo s VAL 109 CO 0.07 0.01 0.67 0.47 0.00 0.00 0.00 175.10 176.31 3mwo n ASP 110 N 4.60 -2.21 0.00 3.32 8.00 -0.04 -0.81 116.55 129.41 3mwo n ASP 110 Ca -0.14 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3mwo n ASP 110 Cb 0.44 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 3mwo n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mwo n LYS 111 N -4.44 0.00 -2.35 -1.24 4.76 -1.26 -4.99 118.16 108.63 3mwo n LYS 111 Ca -0.11 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3mwo n LYS 111 Cb 0.59 -3.12 -0.03 0.00 -1.84 0.00 0.00 35.03 30.63 3mwo n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3mwo s LYS 112 N -0.31 4.39 -0.12 1.97 2.20 0.01 -4.99 119.74 122.89 3mwo s LYS 112 Ca 0.00 1.85 -0.15 0.00 -0.36 0.00 0.00 55.97 57.31 3mwo s LYS 112 Cb 0.00 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3mwo s LYS 112 CO 0.00 -0.33 0.35 0.15 -0.36 0.00 0.00 175.35 175.16 3mwo s LYS 113 N 1.24 4.20 0.56 4.03 1.02 -1.26 -1.88 119.74 127.65 3mwo s LYS 113 Ca 0.60 0.23 -0.03 0.00 0.02 0.00 0.00 55.97 56.79 3mwo s LYS 113 Cb -0.31 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.63 3mwo s LYS 113 CO 0.29 0.30 0.83 0.71 -0.92 0.00 0.00 175.35 176.56 3mwo s TYR 114 N 0.23 3.10 0.40 3.18 2.02 -1.26 -4.64 117.35 120.38 3mwo s TYR 114 Ca 0.20 0.35 0.19 0.00 -0.37 0.00 0.00 57.07 57.44 3mwo s TYR 114 Cb -0.14 -2.70 1.08 0.00 -0.40 0.00 0.00 41.96 39.80 3mwo s TYR 114 CO 0.07 -0.80 1.97 0.00 -1.57 0.00 0.00 175.55 175.22 3mwo h ALA 115 N -0.03 1.44 -2.70 3.71 0.00 -1.41 -1.28 119.26 118.99 3mwo h ALA 115 Ca -0.45 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.37 3mwo h ALA 115 Cb 1.27 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3mwo h ALA 115 CO 0.58 0.27 0.39 0.00 0.00 0.00 0.00 179.25 180.48 3mwo s ALA 116 N -4.32 -1.32 -0.14 0.00 0.00 -1.10 -3.12 121.76 111.76 3mwo s ALA 116 Ca -0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 3mwo s ALA 116 Cb 0.14 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.04 3mwo s ALA 116 CO 0.66 -1.03 0.32 -2.00 0.00 0.00 0.00 175.76 173.71 3mwo s GLU 117 N -3.01 0.28 -0.11 0.00 2.12 -0.10 -1.27 118.70 116.62 3mwo s GLU 117 Ca 0.15 0.66 -0.14 0.00 0.36 0.00 0.00 54.97 56.00 3mwo s GLU 117 Cb -0.04 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 3mwo s GLU 117 CO 0.06 -0.17 0.34 -1.17 -0.54 0.00 0.00 175.26 173.78 3mwo s LEU 118 N 1.42 4.32 -0.22 2.70 2.96 0.23 -0.91 118.68 129.19 3mwo s LEU 118 Ca -0.09 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 3mwo s LEU 118 Cb -0.10 -2.45 0.03 0.00 0.50 0.00 0.00 46.19 44.17 3mwo s LEU 118 CO -0.10 0.17 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.94 3mwo s HIS 119 N -0.03 2.99 -0.37 5.38 3.76 0.04 -0.88 115.29 126.18 3mwo s HIS 119 Ca 0.20 -1.88 -0.14 0.00 -0.15 0.00 0.00 55.06 53.08 3mwo s HIS 119 Cb -0.14 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3mwo s HIS 119 CO 0.07 -0.82 0.30 -0.51 -0.85 0.00 0.00 174.74 172.93 3mwo s LEU 120 N 1.23 4.76 -0.23 0.89 1.43 -0.17 -1.87 118.68 124.71 3mwo s LEU 120 Ca -0.01 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3mwo s LEU 120 Cb -0.16 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3mwo s LEU 120 CO -0.09 -0.36 0.23 -0.69 0.23 0.00 0.00 176.35 175.67 3mwo s VAL 121 N 1.79 5.31 0.05 -1.59 1.01 0.07 -1.20 120.40 125.84 3mwo s VAL 121 Ca 0.07 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.44 3mwo s VAL 121 Cb -0.18 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3mwo s VAL 121 CO 0.11 0.31 -0.17 -1.00 0.00 0.00 0.00 175.10 174.34 3mwo s HIS 122 N 1.20 1.52 0.08 5.22 3.76 -0.30 -1.11 115.29 125.66 3mwo s HIS 122 Ca 0.11 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.73 3mwo s HIS 122 Cb -0.14 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 3mwo s HIS 122 CO 0.06 0.07 -0.18 1.67 -0.85 0.00 0.00 174.74 175.51 3mwo s TRP 123 N -0.86 2.55 -0.17 1.40 1.48 -0.33 -0.95 118.94 122.06 3mwo s TRP 123 Ca 0.04 -0.26 -0.29 0.00 -1.06 0.00 0.00 56.10 54.53 3mwo s TRP 123 Cb -0.08 -1.41 -0.02 0.00 -1.16 0.00 0.00 33.47 30.79 3mwo s TRP 123 CO 0.02 0.32 1.44 1.21 -4.06 0.00 0.00 176.95 175.87 3mwo s ASN 124 N -1.78 6.72 0.49 -2.66 3.84 0.32 -0.46 114.94 121.41 3mwo s ASN 124 Ca 0.16 1.75 0.33 0.00 0.21 0.00 0.00 52.86 55.32 3mwo s ASN 124 Cb -0.11 -2.54 1.68 0.00 -0.55 0.00 0.00 41.25 39.74 3mwo s ASN 124 CO 0.08 -0.94 2.01 0.71 -2.79 0.00 0.00 177.10 176.16 3mwo h THR 125 N 5.71 0.00 0.00 -5.21 1.35 -1.52 -1.51 112.91 111.72 3mwo h THR 125 Ca -0.31 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3mwo h THR 125 Cb 1.13 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3mwo h THR 125 CO 0.98 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.54 3mwo n LYS 127 N -2.73 0.13 -0.07 4.72 2.85 -1.26 -2.13 118.16 119.67 3mwo n LYS 127 Ca -0.01 0.48 0.08 0.00 -1.05 0.00 0.00 58.31 57.81 3mwo n LYS 127 Cb 0.13 -1.81 0.11 0.00 -0.65 0.00 0.00 35.03 32.80 3mwo n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3mwo n TYR 128 N -2.08 0.18 0.00 5.58 4.01 -0.57 -5.01 117.16 119.28 3mwo n TYR 128 Ca 0.01 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3mwo n TYR 128 Cb 0.14 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3mwo n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mwo n GLY 129 N 0.94 1.48 3.79 2.72 0.00 -0.91 -4.46 105.19 108.76 3mwo n GLY 129 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 3mwo n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mwo s ASP 130 N 0.00 -0.07 0.19 1.61 1.47 -1.26 -5.05 116.67 113.56 3mwo s ASP 130 Ca 0.00 -0.92 -0.11 0.00 1.18 0.00 0.00 52.55 52.70 3mwo s ASP 130 Cb 0.00 0.77 0.10 0.00 -0.34 0.00 0.00 42.92 43.45 3mwo s ASP 130 CO 0.00 -1.48 1.79 0.15 0.68 0.00 0.00 175.17 176.32 3mwo h PHE 131 N 2.03 0.91 -0.51 2.11 3.57 -1.94 -1.44 116.94 121.66 3mwo h PHE 131 Ca -0.26 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.17 3mwo h PHE 131 Cb 1.25 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3mwo h PHE 131 CO 0.89 0.66 0.15 0.78 -2.23 0.00 0.00 178.31 178.56 3mwo h GLY 132 N 0.89 0.82 1.52 2.40 0.00 -1.97 -1.77 103.07 104.95 3mwo h GLY 132 Ca 0.23 -0.44 -0.25 0.00 0.00 0.00 0.00 47.33 46.87 3mwo h GLY 132 CO -0.03 0.41 -1.06 0.50 0.00 0.00 0.00 176.54 176.36 3mwo h LYS 133 N 0.74 0.41 -0.93 4.80 1.79 -1.80 -3.33 116.57 118.26 3mwo h LYS 133 Ca 0.17 -0.51 -0.01 0.00 -2.18 0.00 0.00 60.65 58.12 3mwo h LYS 133 Cb 0.23 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 3mwo h LYS 133 CO -0.01 1.17 0.54 0.00 -1.08 0.00 0.00 179.45 180.08 3mwo h ALA 134 N 0.64 1.21 0.00 3.86 0.00 -0.58 -2.27 119.26 122.11 3mwo h ALA 134 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3mwo h ALA 134 Cb 1.72 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3mwo h ALA 134 CO 0.18 0.67 0.00 1.33 0.00 0.00 0.00 179.25 181.43 3mwo n VAL 135 N -4.34 1.10 1.29 0.00 0.24 -0.73 -1.14 118.33 114.74 3mwo n VAL 135 Ca 0.10 0.33 0.10 0.00 -2.04 0.00 0.00 64.34 62.84 3mwo n VAL 135 Cb 0.07 -1.20 0.38 0.00 -1.47 0.00 0.00 33.84 31.62 3mwo n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mwo n GLN 136 N -1.82 1.66 -4.36 7.34 6.02 -0.85 -4.69 117.38 120.68 3mwo n GLN 136 Ca 0.02 -0.99 -0.30 0.00 -0.01 0.00 0.00 57.00 55.72 3mwo n GLN 136 Cb 0.15 -1.38 -0.12 0.00 1.02 0.00 0.00 30.24 29.92 3mwo n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mwo s GLN 137 N -1.80 1.81 0.48 -1.09 -1.52 -0.29 -5.03 119.66 112.22 3mwo s GLN 137 Ca 0.31 -1.16 0.24 0.00 -1.95 0.00 0.00 55.36 52.81 3mwo s GLN 137 Cb 0.17 -2.12 1.19 0.00 -0.22 0.00 0.00 33.01 32.02 3mwo s GLN 137 CO 0.25 0.49 1.96 -1.35 -0.25 0.00 0.00 175.29 176.39 3mwo h PRO 138 N 3.85 0.00 -0.64 2.91 0.11 -1.85 -2.44 132.00 133.94 3mwo h PRO 138 Ca -0.50 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.16 3mwo h PRO 138 Cb 1.17 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.96 3mwo h PRO 138 CO 0.46 0.19 -0.48 -0.40 -0.21 0.00 0.00 178.00 177.56 3mwo n ASP 139 N -3.63 4.59 0.08 -2.05 5.75 -1.26 -4.13 116.55 115.90 3mwo n ASP 139 Ca -0.01 -3.78 -0.16 0.00 -0.01 0.00 0.00 54.79 50.83 3mwo n ASP 139 Cb 0.32 -0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 39.84 3mwo n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3mwo h GLY 140 N 1.87 0.47 -3.34 6.12 0.00 -1.13 -3.43 103.07 103.62 3mwo h GLY 140 Ca 0.34 -0.95 -0.61 0.00 0.00 0.00 0.00 47.33 46.10 3mwo h GLY 140 CO 0.73 0.83 -0.82 1.08 0.00 0.00 0.00 176.54 178.37 3mwo s LEU 141 N -7.58 2.42 -0.11 3.11 1.43 0.26 -0.52 118.68 117.69 3mwo s LEU 141 Ca -0.06 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 3mwo s LEU 141 Cb 0.08 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3mwo s LEU 141 CO 0.89 0.08 -0.11 0.00 0.23 0.00 0.00 176.35 177.43 3mwo s ALA 142 N -1.69 1.46 -0.19 4.21 0.00 -0.13 -0.90 121.76 124.52 3mwo s ALA 142 Ca 0.18 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3mwo s ALA 142 Cb -0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3mwo s ALA 142 CO 0.08 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 175.61 3mwo s VAL 143 N 1.30 3.17 -0.33 0.00 1.01 -0.88 -1.16 120.40 123.51 3mwo s VAL 143 Ca -0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 3mwo s VAL 143 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3mwo s VAL 143 CO -0.05 0.47 0.58 -0.22 0.00 0.00 0.00 175.10 175.88 3mwo s LEU 144 N 1.11 4.23 -0.14 3.92 2.96 -0.34 -1.26 118.68 129.16 3mwo s LEU 144 Ca 0.01 0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3mwo s LEU 144 Cb -0.15 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 3mwo s LEU 144 CO -0.02 -0.50 0.04 -0.83 -1.32 0.00 0.00 176.35 173.72 3mwo s GLY 145 N 1.72 1.89 -0.06 7.98 0.00 0.35 -1.00 107.32 118.20 3mwo s GLY 145 Ca 0.22 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3mwo s GLY 145 CO 0.13 -0.23 -0.04 -0.42 0.00 0.00 0.00 173.10 172.55 3mwo s ILE 146 N -0.23 0.55 0.40 0.90 1.01 -0.06 -1.06 121.20 122.70 3mwo s ILE 146 Ca 0.07 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 3mwo s ILE 146 Cb -0.12 -0.61 -0.10 0.00 0.01 0.00 0.00 42.46 41.65 3mwo s ILE 146 CO 0.02 0.25 0.99 -0.36 0.00 0.00 0.00 174.94 175.84 3mwo s PHE 147 N 1.27 3.36 -0.13 3.97 0.08 -1.26 -0.60 117.98 124.68 3mwo s PHE 147 Ca -0.05 1.67 0.01 0.00 0.12 0.00 0.00 56.93 58.67 3mwo s PHE 147 Cb -0.14 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 3mwo s PHE 147 CO -0.02 -0.28 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.15 3mwo s LEU 148 N -2.72 2.55 0.21 -0.37 1.02 -0.39 -0.66 118.68 118.32 3mwo s LEU 148 Ca 0.58 -0.40 0.10 0.00 0.02 0.00 0.00 54.13 54.43 3mwo s LEU 148 Cb -0.17 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 3mwo s LEU 148 CO 0.22 0.15 -0.12 -1.59 0.02 0.00 0.00 176.35 175.03 3mwo s LYS 149 N 0.42 1.97 -0.20 1.70 -2.85 -0.36 -1.98 119.74 118.43 3mwo s LYS 149 Ca -0.12 -1.40 -0.19 0.00 -1.00 0.00 0.00 55.97 53.27 3mwo s LYS 149 Cb -0.16 -2.06 -0.03 0.00 -2.06 0.00 0.00 37.83 33.51 3mwo s LYS 149 CO 0.06 0.40 0.53 0.08 0.10 0.00 0.00 175.35 176.53 3mwo s VAL 150 N -1.90 5.09 0.00 1.79 1.01 -1.26 -0.81 120.40 124.32 3mwo s VAL 150 Ca 0.26 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3mwo s VAL 150 Cb -0.08 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3mwo s VAL 150 CO 0.15 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3mwo n GLY 151 N 3.90 0.59 3.78 4.51 0.00 0.40 -4.91 105.19 113.46 3mwo n GLY 151 Ca -0.04 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 3mwo n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mwo s SER 152 N 2.00 5.38 0.60 1.61 1.04 -1.26 -3.99 113.70 119.08 3mwo s SER 152 Ca 0.00 2.03 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 3mwo s SER 152 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 3mwo s SER 152 CO 0.00 -1.45 1.15 0.00 0.98 0.00 0.00 173.24 173.92 3mwo s ALA 153 N -2.18 2.55 -0.49 5.32 0.00 -1.26 -2.32 121.76 123.37 3mwo s ALA 153 Ca 0.68 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 3mwo s ALA 153 Cb -0.21 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.62 3mwo s ALA 153 CO 0.36 -1.09 0.43 0.21 0.00 0.00 0.00 175.76 175.67 3mwo s LYS 154 N -3.59 2.98 0.39 0.00 2.47 -1.18 -4.77 119.74 116.04 3mwo s LYS 154 Ca 0.72 -1.44 0.07 0.00 -1.56 0.00 0.00 55.97 53.76 3mwo s LYS 154 Cb -0.25 -4.18 0.82 0.00 -1.46 0.00 0.00 37.83 32.77 3mwo s LYS 154 CO 0.34 -1.11 2.01 -1.35 0.16 0.00 0.00 175.35 175.40 3mwo h PRO 155 N 8.80 0.61 0.00 4.03 0.11 -1.90 -1.11 132.00 142.54 3mwo h PRO 155 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3mwo h PRO 155 Cb 1.11 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3mwo h PRO 155 CO 0.92 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.53 3mwo n GLY 156 N -1.47 -1.16 0.12 -0.55 0.00 -1.26 -1.90 105.19 98.98 3mwo n GLY 156 Ca 0.07 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3mwo n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mwo h LEU 157 N 0.00 0.00 -1.27 0.99 5.85 -1.40 -3.40 115.31 116.07 3mwo h LEU 157 Ca 0.00 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3mwo h LEU 157 Cb 0.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3mwo h LEU 157 CO 0.00 0.03 0.17 -0.61 -0.34 0.00 0.00 178.44 177.69 3mwo h GLN 158 N 0.00 0.67 -0.36 1.25 5.75 -1.40 -1.26 115.11 119.76 3mwo h GLN 158 Ca 0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3mwo h GLN 158 Cb 0.92 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 3mwo h GLN 158 CO 0.00 0.57 0.19 0.87 -2.65 0.00 0.00 178.83 177.81 3mwo h LYS 159 N 0.66 0.49 0.21 1.69 1.57 -1.78 -0.53 116.57 118.88 3mwo h LYS 159 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3mwo h LYS 159 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3mwo h LYS 159 CO -0.01 0.37 -0.10 0.28 -0.57 0.00 0.00 179.45 179.41 3mwo h VAL 160 N 0.50 0.88 -0.86 0.50 2.07 -1.54 -3.20 116.25 114.60 3mwo h VAL 160 Ca 0.13 -0.61 0.13 0.00 0.82 0.00 0.00 66.70 67.18 3mwo h VAL 160 Cb 0.02 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 3mwo h VAL 160 CO -0.02 0.13 0.47 0.58 0.02 0.00 0.00 177.57 178.75 3mwo h VAL 161 N -0.59 0.78 0.00 2.57 2.07 -0.84 -2.19 116.25 118.05 3mwo h VAL 161 Ca -0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3mwo h VAL 161 Cb 0.43 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3mwo h VAL 161 CO 0.05 0.13 0.00 0.44 0.02 0.00 0.00 177.57 178.20 3mwo h ASP 162 N 0.69 0.00 0.21 0.57 3.32 -1.14 -2.71 116.42 117.36 3mwo h ASP 162 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3mwo h ASP 162 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3mwo h ASP 162 CO -0.33 0.00 -0.49 1.33 -1.72 0.00 0.00 179.24 178.03 3mwo n VAL 163 N -2.47 0.00 0.19 -1.35 0.24 -0.83 -4.42 118.33 109.69 3mwo n VAL 163 Ca 0.03 -0.10 0.05 0.00 -2.04 0.00 0.00 64.34 62.28 3mwo n VAL 163 Cb 0.34 0.65 0.50 0.00 -1.47 0.00 0.00 33.84 33.85 3mwo n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3mwo h LEU 164 N 0.97 0.09 -1.58 1.34 3.38 -1.42 -1.08 115.31 117.01 3mwo h LEU 164 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3mwo h LEU 164 Cb 0.56 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3mwo h LEU 164 CO 0.00 0.20 0.00 -2.24 0.09 0.00 0.00 178.44 176.49 3mwo h ASP 165 N 0.10 0.00 0.37 -0.43 3.04 -1.79 -1.76 116.42 115.96 3mwo h ASP 165 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 3mwo h ASP 165 Cb 0.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 3mwo h ASP 165 CO 0.01 0.00 -0.33 -1.54 -2.04 0.00 0.00 179.24 175.34 3mwo n SER 166 N -2.68 0.74 -2.47 4.15 3.41 -0.41 -4.10 113.62 112.25 3mwo n SER 166 Ca -0.00 -0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 57.90 3mwo n SER 166 Cb 0.18 0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3mwo n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mwo n ILE 167 N -1.04 1.84 -0.24 -1.33 -5.35 -0.67 -4.72 119.36 107.86 3mwo n ILE 167 Ca 0.10 -3.71 0.01 0.00 -0.27 0.00 0.00 62.75 58.88 3mwo n ILE 167 Cb 0.34 -0.05 0.25 0.00 -1.74 0.00 0.00 39.64 38.43 3mwo n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mwo h LYS 168 N 2.52 0.99 -6.21 6.28 3.64 -1.69 -3.42 116.57 118.67 3mwo h LYS 168 Ca 0.11 -0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.84 3mwo h LYS 168 Cb 1.29 -0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.76 3mwo h LYS 168 CO 0.54 0.66 -0.73 0.95 -2.27 0.00 0.00 179.45 178.60 3mwo s THR 169 N -5.86 2.78 0.17 1.00 -4.23 -1.26 -0.46 115.64 107.78 3mwo s THR 169 Ca -0.11 -2.25 -0.33 0.00 -1.18 0.00 0.00 61.69 57.81 3mwo s THR 169 Cb 0.18 -2.46 -0.14 0.00 1.34 0.00 0.00 72.50 71.42 3mwo s THR 169 CO 0.79 -0.39 1.52 1.17 -0.54 0.00 0.00 174.62 177.17 3mwo n LYS 170 N -0.69 2.06 0.00 3.99 4.81 -0.45 -2.06 118.16 125.82 3mwo n LYS 170 Ca -0.06 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3mwo n LYS 170 Cb 0.60 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.17 3mwo n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mwo n GLY 171 N 3.07 2.54 3.76 3.14 0.00 0.24 -4.45 105.19 113.49 3mwo n GLY 171 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3mwo n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mwo s LYS 172 N -0.98 4.73 0.07 1.61 1.02 -0.87 -4.89 119.74 120.43 3mwo s LYS 172 Ca 0.00 1.46 -0.03 0.00 0.02 0.00 0.00 55.97 57.42 3mwo s LYS 172 Cb 0.00 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3mwo s LYS 172 CO 0.00 0.39 0.03 -1.54 -0.92 0.00 0.00 175.35 173.31 3mwo s SER 173 N -1.32 0.38 0.00 2.83 1.04 -1.26 -1.13 113.70 114.25 3mwo s SER 173 Ca 0.45 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 3mwo s SER 173 Cb -0.24 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3mwo s SER 173 CO 0.30 -0.65 0.20 0.00 0.98 0.00 0.00 173.24 174.06 3mwo s ALA 174 N -3.93 -0.47 0.52 5.32 0.00 -0.31 -4.95 121.76 117.94 3mwo s ALA 174 Ca 0.10 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 3mwo s ALA 174 Cb 0.07 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.26 3mwo s ALA 174 CO -0.08 -0.24 1.30 0.16 0.00 0.00 0.00 175.76 176.89 3mwo s ASP 175 N -1.47 5.54 -0.47 0.00 1.47 -1.26 -1.08 116.67 119.41 3mwo s ASP 175 Ca -0.13 2.62 0.06 0.00 1.18 0.00 0.00 52.55 56.28 3mwo s ASP 175 Cb -0.06 -2.62 0.18 0.00 -0.34 0.00 0.00 42.92 40.08 3mwo s ASP 175 CO 0.02 -1.37 0.62 0.12 0.68 0.00 0.00 175.17 175.23 3mwo s PHE 176 N -1.38 -1.13 0.25 2.11 5.36 -0.23 -4.70 117.98 118.26 3mwo s PHE 176 Ca 0.69 -0.67 0.06 0.00 -0.96 0.00 0.00 56.93 56.05 3mwo s PHE 176 Cb -0.37 0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.35 3mwo s PHE 176 CO 0.43 -1.16 0.30 0.95 -1.46 0.00 0.00 175.22 174.28 3mwo s THR 177 N 1.02 4.85 -1.76 0.12 -4.23 -1.26 -3.15 115.64 111.24 3mwo s THR 177 Ca 0.26 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3mwo s THR 177 Cb -0.02 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.17 3mwo s THR 177 CO -0.07 -0.32 0.00 0.59 -0.54 0.00 0.00 174.62 174.27 3mwo n ASN 178 N -1.34 -5.08 -4.69 3.99 3.02 -1.26 -4.94 115.26 104.96 3mwo n ASN 178 Ca -0.08 0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 3mwo n ASN 178 Cb 0.57 -4.12 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 3mwo n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3mwo s PHE 179 N -2.69 3.54 -0.46 3.10 5.36 -1.26 -4.99 117.98 120.58 3mwo s PHE 179 Ca 0.00 1.53 -0.15 0.00 -0.96 0.00 0.00 56.93 57.35 3mwo s PHE 179 Cb 0.00 -3.10 0.06 0.00 -0.34 0.00 0.00 43.02 39.64 3mwo s PHE 179 CO 0.00 -0.14 0.37 0.34 -1.46 0.00 0.00 175.22 174.33 3mwo s ASP 180 N 1.05 6.13 0.00 6.13 -1.08 -1.26 -4.46 116.67 123.18 3mwo s ASP 180 Ca 0.47 -1.23 0.15 0.00 -0.52 0.00 0.00 52.55 51.42 3mwo s ASP 180 Cb -0.19 -2.17 0.69 0.00 -1.46 0.00 0.00 42.92 39.79 3mwo s ASP 180 CO 0.20 -0.60 1.47 -0.81 0.52 0.00 0.00 175.17 175.95 3mwo n PRO 181 N 5.19 0.07 0.26 4.34 -0.04 -1.26 -1.98 135.00 141.57 3mwo n PRO 181 Ca -0.12 0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.69 3mwo n PRO 181 Cb 0.44 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.26 3mwo n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mwo h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.51 114.38 114.57 3mwo h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mwo h ARG 182 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3mwo h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3mwo n GLY 183 N -1.38 -0.74 0.61 0.04 0.00 -0.84 -2.76 105.19 100.12 3mwo n GLY 183 Ca -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3mwo n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mwo n LEU 184 N -0.99 2.39 -4.88 0.99 4.77 -0.57 -4.06 117.00 114.65 3mwo n LEU 184 Ca 0.17 -1.24 -0.33 0.00 -0.03 0.00 0.00 56.01 54.58 3mwo n LEU 184 Cb 0.08 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3mwo n LEU 184 CO 0.13 0.49 0.05 -0.76 -1.33 0.00 0.00 177.39 175.97 3mwo s LEU 185 N -1.11 4.30 0.92 2.23 1.43 -1.11 -4.92 118.68 120.43 3mwo s LEU 185 Ca 0.19 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.84 3mwo s LEU 185 Cb 0.12 -3.14 0.17 0.00 0.03 0.00 0.00 46.19 43.37 3mwo s LEU 185 CO 0.18 0.11 1.28 -2.16 0.23 0.00 0.00 176.35 175.99 3mwo s PRO 186 N -2.26 0.98 0.05 1.29 0.04 -1.26 -5.00 135.00 128.83 3mwo s PRO 186 Ca 0.37 -0.26 -0.25 0.00 0.04 0.00 0.00 61.00 60.90 3mwo s PRO 186 Cb -0.13 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 3mwo s PRO 186 CO 0.21 -2.21 1.55 0.93 0.04 0.00 0.00 177.00 177.52 3mwo h GLU 187 N -1.49 -0.12 -6.26 4.56 5.08 -1.92 -3.44 114.58 110.98 3mwo h GLU 187 Ca -0.45 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.35 3mwo h GLU 187 Cb 1.26 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 3mwo h GLU 187 CO 0.46 0.06 -0.08 0.45 -1.00 0.00 0.00 179.01 178.90 3mwo s SER 188 N -5.24 6.90 -0.23 1.42 0.15 -1.26 -4.98 113.70 110.46 3mwo s SER 188 Ca -0.14 1.13 0.14 0.00 0.70 0.00 0.00 55.95 57.78 3mwo s SER 188 Cb 0.04 -2.31 0.69 0.00 -1.71 0.00 0.00 66.02 62.74 3mwo s SER 188 CO 0.65 0.18 1.63 0.18 1.20 0.00 0.00 173.24 177.08 3mwo n LEU 189 N 1.20 5.07 -4.78 3.45 4.77 -1.26 -4.72 117.00 120.73 3mwo n LEU 189 Ca -0.08 -3.06 -0.41 0.00 -0.03 0.00 0.00 56.01 52.44 3mwo n LEU 189 Cb 0.51 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3mwo n LEU 189 CO 0.42 0.71 1.13 -1.81 -1.33 0.00 0.00 177.39 176.50 3mwo s ASP 190 N -1.33 6.36 0.12 -1.43 1.01 -1.26 -4.72 116.67 115.41 3mwo s ASP 190 Ca 0.50 3.03 -0.10 0.00 0.71 0.00 0.00 52.55 56.70 3mwo s ASP 190 Cb 0.39 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.66 3mwo s ASP 190 CO 0.12 -0.86 0.25 -0.72 0.21 0.00 0.00 175.17 174.17 3mwo s TYR 191 N -1.12 0.19 0.10 4.23 -0.85 -1.26 -1.46 117.35 117.17 3mwo s TYR 191 Ca 0.53 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 56.52 3mwo s TYR 191 Cb -0.46 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 3mwo s TYR 191 CO 0.63 -0.62 0.09 -1.58 -1.52 0.00 0.00 175.55 172.54 3mwo s TRP 192 N -3.89 3.18 -0.01 -3.49 0.51 0.07 -0.82 118.94 114.48 3mwo s TRP 192 Ca 0.09 0.06 -0.03 0.00 -2.12 0.00 0.00 56.10 54.09 3mwo s TRP 192 Cb 0.04 -1.60 -0.00 0.00 -0.81 0.00 0.00 33.47 31.10 3mwo s TRP 192 CO -0.07 0.52 0.07 -0.08 -0.51 0.00 0.00 176.95 176.88 3mwo s THR 193 N -1.45 0.05 0.15 2.01 -1.32 0.17 -0.52 115.64 114.72 3mwo s THR 193 Ca 0.30 -0.39 -0.24 0.00 -1.21 0.00 0.00 61.69 60.15 3mwo s THR 193 Cb -0.12 -0.23 0.07 0.00 -1.51 0.00 0.00 72.50 70.71 3mwo s THR 193 CO 0.22 -0.21 0.64 -0.72 -2.21 0.00 0.00 174.62 172.34 3mwo s TYR 194 N -0.67 -0.50 -0.03 9.09 1.13 -1.01 -1.49 117.35 123.88 3mwo s TYR 194 Ca -0.07 0.29 -0.24 0.00 -1.41 0.00 0.00 57.07 55.63 3mwo s TYR 194 Cb -0.05 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 3mwo s TYR 194 CO 0.00 -0.84 0.73 -1.25 -2.51 0.00 0.00 175.55 171.68 3mwo s PRO 195 N -3.69 4.45 0.00 -3.49 0.04 -1.26 -1.23 135.00 129.82 3mwo s PRO 195 Ca 0.02 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3mwo s PRO 195 Cb -0.01 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.11 3mwo s PRO 195 CO -0.12 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.48 3mwo n GLY 196 N 2.84 4.08 3.24 0.56 0.00 0.40 -4.82 105.19 111.48 3mwo n GLY 196 Ca -0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3mwo n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mwo s SER 197 N 1.76 0.54 0.55 1.61 1.04 -1.09 -2.18 113.70 115.94 3mwo s SER 197 Ca 0.00 -1.37 -0.22 0.00 0.48 0.00 0.00 55.95 54.84 3mwo s SER 197 Cb 0.00 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3mwo s SER 197 CO 0.00 -0.79 1.37 -0.76 0.98 0.00 0.00 173.24 174.04 3mwo s LEU 198 N -3.21 3.84 0.00 2.42 1.43 -0.45 -4.51 118.68 118.21 3mwo s LEU 198 Ca 0.37 2.80 0.24 0.00 -1.03 0.00 0.00 54.13 56.51 3mwo s LEU 198 Cb 0.07 -4.27 0.39 0.00 0.03 0.00 0.00 46.19 42.41 3mwo s LEU 198 CO 0.12 -1.61 1.37 0.35 0.23 0.00 0.00 176.35 176.81 3mwo n THR 199 N -1.05 0.08 -4.39 5.49 -2.24 -1.26 -4.41 114.28 106.50 3mwo n THR 199 Ca 0.10 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 3mwo n THR 199 Cb 0.45 1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 69.78 3mwo n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mwo s THR 200 N -1.92 2.15 0.26 4.28 -4.23 -1.26 -4.72 115.64 110.21 3mwo s THR 200 Ca 0.31 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 3mwo s THR 200 Cb 0.20 -1.99 -0.14 0.00 1.34 0.00 0.00 72.50 71.91 3mwo s THR 200 CO 0.31 -0.14 1.07 -2.65 -0.54 0.00 0.00 174.62 172.67 3mwo n PRO 201 N 0.41 1.37 -0.10 3.99 -0.02 -1.26 -0.69 135.00 138.69 3mwo n PRO 201 Ca -0.14 0.48 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 3mwo n PRO 201 Cb 0.56 -1.90 0.09 0.00 -0.02 0.00 0.00 33.50 32.22 3mwo n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mwo n PRO 202 N 1.03 1.47 -2.15 0.52 -0.04 -1.26 -5.00 135.00 129.56 3mwo n PRO 202 Ca 0.11 -0.70 -0.20 0.00 -0.04 0.00 0.00 63.50 62.67 3mwo n PRO 202 Cb 0.30 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 3mwo n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mwo n LEU 203 N 0.07 -1.77 -4.77 1.53 4.77 0.13 -4.90 117.00 112.06 3mwo n LEU 203 Ca 0.07 0.12 -0.40 0.00 -0.03 0.00 0.00 56.01 55.77 3mwo n LEU 203 Cb 0.18 -2.79 -0.00 0.00 -2.33 0.00 0.00 43.42 38.47 3mwo n LEU 203 CO 0.05 -0.44 1.04 -0.76 -1.33 0.00 0.00 177.39 175.94 3mwo s LEU 204 N -5.35 4.26 -1.28 2.23 1.43 -1.26 -4.42 118.68 114.28 3mwo s LEU 204 Ca 0.00 2.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.85 3mwo s LEU 204 Cb 0.00 -3.80 0.17 0.00 0.03 0.00 0.00 46.19 42.59 3mwo s LEU 204 CO 0.00 -0.87 1.98 -0.62 0.23 0.00 0.00 176.35 177.06 3mwo n GLU 205 N 0.27 3.92 -0.02 1.70 1.02 -1.26 -1.34 120.64 124.93 3mwo n GLU 205 Ca 0.03 -3.58 0.01 0.00 -0.02 0.00 0.00 57.16 53.59 3mwo n GLU 205 Cb 0.42 -2.83 0.01 0.00 -0.02 0.00 0.00 31.44 29.02 3mwo n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mwo s VAL 207 N -0.77 3.27 -0.38 0.00 1.01 -0.92 -0.58 120.40 122.03 3mwo s VAL 207 Ca 0.02 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 3mwo s VAL 207 Cb 0.01 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3mwo s VAL 207 CO 0.00 0.51 0.72 -0.89 0.00 0.00 0.00 175.10 175.44 3mwo s THR 208 N 0.45 4.78 -0.00 3.92 2.01 -0.08 -0.46 115.64 126.26 3mwo s THR 208 Ca -0.08 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 62.33 3mwo s THR 208 Cb -0.15 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 3mwo s THR 208 CO 0.04 -0.45 0.71 0.26 -0.69 0.00 0.00 174.62 174.50 3mwo s TRP 209 N 2.97 3.67 -0.24 4.92 0.52 -0.36 -2.08 118.94 128.34 3mwo s TRP 209 Ca 0.28 1.34 -0.00 0.00 0.02 0.00 0.00 56.10 57.74 3mwo s TRP 209 Cb -0.14 -2.77 0.07 0.00 -1.15 0.00 0.00 33.47 29.48 3mwo s TRP 209 CO 0.17 0.23 -0.01 0.42 0.02 0.00 0.00 176.95 177.78 3mwo s ILE 210 N 0.20 1.26 -0.24 2.03 1.01 -0.39 -2.39 121.20 122.68 3mwo s ILE 210 Ca 0.37 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 3mwo s ILE 210 Cb -0.19 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3mwo s ILE 210 CO 0.20 -0.20 -0.04 -0.69 0.00 0.00 0.00 174.94 174.22 3mwo s VAL 211 N 1.50 3.29 0.29 2.92 1.01 0.32 -0.50 120.40 129.24 3mwo s VAL 211 Ca -0.03 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3mwo s VAL 211 Cb -0.18 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 3mwo s VAL 211 CO -0.08 0.33 1.17 -0.76 0.00 0.00 0.00 175.10 175.75 3mwo s LEU 212 N 1.44 4.51 0.21 3.92 1.43 -0.22 -0.75 118.68 129.22 3mwo s LEU 212 Ca 0.04 2.39 -0.01 0.00 -1.03 0.00 0.00 54.13 55.52 3mwo s LEU 212 Cb -0.15 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.62 3mwo s LEU 212 CO -0.03 -0.27 1.56 0.50 0.23 0.00 0.00 176.35 178.33 3mwo h LYS 213 N 3.76 0.51 -5.51 1.70 3.64 -1.59 -3.43 116.57 115.66 3mwo h LYS 213 Ca -0.47 -0.29 -0.61 0.00 -1.27 0.00 0.00 60.65 58.01 3mwo h LYS 213 Cb 1.22 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 3mwo h LYS 213 CO 0.67 0.88 0.16 -2.00 -2.27 0.00 0.00 179.45 176.89 3mwo s GLU 214 N -4.08 4.09 0.70 1.90 2.12 -1.26 -5.01 118.70 117.16 3mwo s GLU 214 Ca -0.07 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 3mwo s GLU 214 Cb 0.12 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3mwo s GLU 214 CO 0.83 -0.42 1.06 -1.25 -0.54 0.00 0.00 175.26 174.94 3mwo s PRO 215 N 2.51 2.89 0.21 4.30 0.04 -1.26 -4.64 135.00 139.04 3mwo s PRO 215 Ca 0.26 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.26 3mwo s PRO 215 Cb -0.15 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3mwo s PRO 215 CO 0.09 -1.14 0.44 0.96 0.04 0.00 0.00 177.00 177.39 3mwo s ILE 216 N -2.98 5.12 -0.15 0.56 -4.36 0.17 -4.87 121.20 114.69 3mwo s ILE 216 Ca 0.59 -0.03 -0.11 0.00 -0.26 0.00 0.00 60.65 60.84 3mwo s ILE 216 Cb -0.15 -3.68 -0.05 0.00 1.25 0.00 0.00 42.46 39.84 3mwo s ILE 216 CO 0.54 -0.13 0.20 -0.55 0.24 0.00 0.00 174.94 175.24 3mwo s SER 217 N -2.83 6.38 0.20 4.36 0.15 -1.26 -1.23 113.70 119.47 3mwo s SER 217 Ca 0.42 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.59 3mwo s SER 217 Cb -0.11 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 3mwo s SER 217 CO 0.27 0.24 -0.17 0.68 1.20 0.00 0.00 173.24 175.46 3mwo s VAL 218 N -0.13 1.89 0.53 4.45 -7.23 0.01 -3.12 120.40 116.80 3mwo s VAL 218 Ca 0.14 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 3mwo s VAL 218 Cb -0.12 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3mwo s VAL 218 CO 0.03 -0.46 0.89 -0.94 -0.31 0.00 0.00 175.10 174.31 3mwo s SER 219 N -3.11 6.28 0.32 4.85 1.04 -1.12 -0.45 113.70 121.51 3mwo s SER 219 Ca 0.21 1.17 0.03 0.00 0.48 0.00 0.00 55.95 57.84 3mwo s SER 219 Cb -0.03 -2.35 0.63 0.00 0.10 0.00 0.00 66.02 64.36 3mwo s SER 219 CO 0.08 -0.69 1.89 -1.28 0.98 0.00 0.00 173.24 174.23 3mwo h SER 220 N 0.10 0.82 -0.32 7.02 0.87 -1.92 -1.60 113.55 118.52 3mwo h SER 220 Ca -0.46 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.04 3mwo h SER 220 Cb 1.20 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 3mwo h SER 220 CO 0.62 0.49 -0.08 -0.33 -0.53 0.00 0.00 176.83 177.00 3mwo h GLU 221 N 0.91 0.72 -0.20 2.24 3.07 -1.95 -0.41 114.58 118.97 3mwo h GLU 221 Ca 0.41 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 3mwo h GLU 221 Cb 0.38 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3mwo h GLU 221 CO -0.18 0.79 0.05 1.96 -1.40 0.00 0.00 179.01 180.23 3mwo h GLN 222 N 0.67 0.31 -0.02 2.33 4.20 -1.69 -2.75 115.11 118.16 3mwo h GLN 222 Ca 0.12 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 3mwo h GLN 222 Cb 0.53 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3mwo h GLN 222 CO 0.03 0.44 -0.63 -0.24 -0.67 0.00 0.00 178.83 177.76 3mwo h VAL 223 N 0.13 1.43 -0.54 -0.54 3.04 -1.25 -2.58 116.25 115.95 3mwo h VAL 223 Ca 0.06 -2.12 0.05 0.00 -1.01 0.00 0.00 66.70 63.68 3mwo h VAL 223 Cb 0.27 2.12 -0.03 0.00 -2.01 0.00 0.00 31.29 31.64 3mwo h VAL 223 CO 0.00 0.61 0.36 -0.07 -1.01 0.00 0.00 177.57 177.46 3mwo h LEU 224 N 0.07 0.48 -0.75 3.16 3.38 -1.01 -1.15 115.31 119.48 3mwo h LEU 224 Ca -0.01 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3mwo h LEU 224 Cb 1.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3mwo h LEU 224 CO 0.09 0.32 -0.55 0.11 0.09 0.00 0.00 178.44 178.50 3mwo h LYS 225 N 0.55 0.22 -0.85 1.13 1.57 -1.16 -2.42 116.57 115.61 3mwo h LYS 225 Ca 0.23 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3mwo h LYS 225 Cb 0.21 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3mwo h LYS 225 CO -0.06 0.71 0.53 0.74 -0.57 0.00 0.00 179.45 180.80 3mwo h PHE 226 N 0.17 0.99 0.00 -1.35 -1.00 -1.11 -2.57 116.94 112.07 3mwo h PHE 226 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3mwo h PHE 226 Cb 1.02 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.26 3mwo h PHE 226 CO 0.02 0.51 0.00 0.54 -1.61 0.00 0.00 178.31 177.77 3mwo n ARG 227 N -4.61 0.52 0.05 1.51 1.74 -0.89 -2.30 116.66 112.68 3mwo n ARG 227 Ca 0.12 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.36 3mwo n ARG 227 Cb 0.16 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.26 3mwo n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mwo n LYS 228 N -1.13 0.25 -0.71 5.56 5.02 -0.97 -4.54 118.16 121.64 3mwo n LYS 228 Ca 0.14 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.19 3mwo n LYS 228 Cb 0.12 -1.64 0.18 0.00 -0.02 0.00 0.00 35.03 33.67 3mwo n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mwo s LEU 229 N -3.99 2.37 0.01 -0.35 1.43 -0.97 -4.86 118.68 112.30 3mwo s LEU 229 Ca 0.07 1.99 0.08 0.00 -1.03 0.00 0.00 54.13 55.24 3mwo s LEU 229 Cb 0.14 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 3mwo s LEU 229 CO 0.73 -3.29 -0.25 0.20 0.23 0.00 0.00 176.35 173.97 3mwo s ASN 230 N -2.70 2.96 0.13 2.29 0.02 0.39 -0.59 114.94 117.43 3mwo s ASN 230 Ca 0.67 -0.50 -0.10 0.00 -1.02 0.00 0.00 52.86 51.91 3mwo s ASN 230 Cb -0.23 -0.30 -0.07 0.00 0.02 0.00 0.00 41.25 40.67 3mwo s ASN 230 CO 0.59 0.28 1.38 -0.26 0.02 0.00 0.00 177.10 179.11 3mwo h PHE 231 N 5.22 0.97 -4.30 2.20 0.04 -1.40 -3.35 116.94 116.32 3mwo h PHE 231 Ca -0.44 -0.39 -0.51 0.00 2.80 0.00 0.00 57.97 59.43 3mwo h PHE 231 Cb 1.13 -0.16 0.12 0.00 2.20 0.00 0.00 35.95 39.24 3mwo h PHE 231 CO 0.43 1.21 0.34 0.54 -0.60 0.00 0.00 178.31 180.22 3mwo s ASN 232 N -7.03 4.77 0.71 2.17 4.22 -1.26 -4.33 114.94 114.20 3mwo s ASN 232 Ca -0.09 1.66 -0.11 0.00 -2.14 0.00 0.00 52.86 52.17 3mwo s ASN 232 Cb 0.10 -2.43 0.02 0.00 1.28 0.00 0.00 41.25 40.21 3mwo s ASN 232 CO 0.89 -1.84 1.10 -0.83 -2.04 0.00 0.00 177.10 174.37 3mwo s GLY 233 N -3.61 1.63 0.25 0.45 0.00 -1.26 -1.35 107.32 103.43 3mwo s GLY 233 Ca 0.60 -0.33 -0.31 0.00 0.00 0.00 0.00 44.72 44.68 3mwo s GLY 233 CO 0.56 0.04 1.53 -2.21 0.00 0.00 0.00 173.10 173.02 3mwo n GLU 234 N -3.02 2.37 -1.71 2.90 2.13 -1.26 -1.96 120.64 120.08 3mwo n GLU 234 Ca 0.07 0.84 -0.04 0.00 0.66 0.00 0.00 57.16 58.70 3mwo n GLU 234 Cb 0.57 -2.58 -0.01 0.00 0.27 0.00 0.00 31.44 29.69 3mwo n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mwo n GLY 235 N 2.51 0.39 3.42 8.31 0.00 -1.26 -5.06 105.19 113.50 3mwo n GLY 235 Ca 0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 3mwo n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mwo s GLU 236 N -3.48 1.53 0.26 1.61 2.02 -0.83 -5.10 118.70 114.71 3mwo s GLU 236 Ca 0.00 -1.71 -0.31 0.00 0.02 0.00 0.00 54.97 52.97 3mwo s GLU 236 Cb 0.00 -1.42 -0.13 0.00 0.10 0.00 0.00 34.13 32.69 3mwo s GLU 236 CO 0.00 0.21 1.51 -2.30 0.02 0.00 0.00 175.26 174.70 3mwo n PRO 237 N -0.53 2.34 -2.35 0.39 -0.02 -1.26 -4.86 135.00 128.71 3mwo n PRO 237 Ca -0.06 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 3mwo n PRO 237 Cb 0.61 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3mwo n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mwo s GLU 238 N -0.31 4.23 -0.22 -0.52 2.12 -1.26 -4.77 118.70 117.97 3mwo s GLU 238 Ca 0.67 1.76 0.01 0.00 0.36 0.00 0.00 54.97 57.77 3mwo s GLU 238 Cb -0.58 -3.78 0.05 0.00 0.26 0.00 0.00 34.13 30.08 3mwo s GLU 238 CO 0.48 -0.71 -0.09 -1.21 -0.54 0.00 0.00 175.26 173.18 3mwo s GLU 239 N 3.48 2.00 0.35 4.30 2.02 -1.26 -5.07 118.70 124.52 3mwo s GLU 239 Ca 0.58 -1.02 -0.28 0.00 0.02 0.00 0.00 54.97 54.27 3mwo s GLU 239 Cb -0.24 -2.60 -0.11 0.00 0.10 0.00 0.00 34.13 31.29 3mwo s GLU 239 CO 0.18 -0.51 1.41 -0.51 0.02 0.00 0.00 175.26 175.85 3mwo s LEU 240 N 1.31 4.37 -0.94 1.80 1.43 -1.26 -1.21 118.68 124.18 3mwo s LEU 240 Ca -0.04 2.88 -0.24 0.00 -1.03 0.00 0.00 54.13 55.69 3mwo s LEU 240 Cb -0.18 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.42 3mwo s LEU 240 CO -0.07 -0.73 1.47 -0.32 0.23 0.00 0.00 176.35 176.93 3mwo s MET 241 N -1.82 3.40 0.05 1.70 -2.45 0.24 -4.55 119.30 115.87 3mwo s MET 241 Ca 0.52 -0.83 -0.05 0.00 -1.25 0.00 0.00 55.69 54.08 3mwo s MET 241 Cb -0.43 -5.07 -0.02 0.00 1.25 0.00 0.00 34.83 30.56 3mwo s MET 241 CO 0.57 -2.31 0.07 0.14 1.05 0.00 0.00 175.02 174.55 3mwo s VAL 242 N 5.65 0.16 -1.34 10.11 -7.23 -1.26 -4.52 120.40 121.97 3mwo s VAL 242 Ca 0.46 -1.30 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 3mwo s VAL 242 Cb -0.02 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.82 3mwo s VAL 242 CO -0.03 -0.72 0.99 0.47 -0.31 0.00 0.00 175.10 175.50 3mwo n ASP 243 N 0.48 -3.74 -2.42 4.85 8.00 -0.12 -4.83 116.55 118.76 3mwo n ASP 243 Ca -0.17 -0.67 -0.28 0.00 0.71 0.00 0.00 54.79 54.38 3mwo n ASP 243 Cb 0.60 -4.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 3mwo n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3mwo n ASN 244 N -3.02 6.86 -4.34 -2.24 6.94 -1.11 -4.90 115.26 113.45 3mwo n ASN 244 Ca -0.13 -3.38 -0.31 0.00 -0.02 0.00 0.00 54.58 50.73 3mwo n ASN 244 Cb 0.61 -1.13 -0.15 0.00 -2.36 0.00 0.00 39.78 36.75 3mwo n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3mwo s TRP 245 N -2.50 2.40 0.07 -2.53 1.48 -1.26 -4.63 118.94 111.97 3mwo s TRP 245 Ca 0.52 -0.39 -0.24 0.00 -1.06 0.00 0.00 56.10 54.93 3mwo s TRP 245 Cb 0.38 -1.53 -0.06 0.00 -1.16 0.00 0.00 33.47 31.10 3mwo s TRP 245 CO -0.18 -0.00 0.74 0.50 -4.06 0.00 0.00 176.95 173.95 3mwo s ARG 246 N -0.62 4.48 0.91 3.25 3.52 -1.26 -4.98 118.95 124.25 3mwo s ARG 246 Ca 0.10 1.04 -0.12 0.00 -0.13 0.00 0.00 55.73 56.62 3mwo s ARG 246 Cb -0.10 -3.33 0.14 0.00 -1.56 0.00 0.00 34.95 30.09 3mwo s ARG 246 CO -0.01 0.37 1.11 -1.25 -0.81 0.00 0.00 175.30 174.72 3mwo s PRO 247 N -0.36 1.15 0.37 5.12 0.04 -1.26 -4.59 135.00 135.46 3mwo s PRO 247 Ca 0.37 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.61 3mwo s PRO 247 Cb -0.21 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 3mwo s PRO 247 CO 0.23 -2.23 1.46 0.00 0.04 0.00 0.00 177.00 176.50 3mwo n ALA 248 N -3.82 2.19 -2.60 8.56 0.00 -1.26 -4.33 120.51 119.24 3mwo n ALA 248 Ca 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 3mwo n ALA 248 Cb 0.58 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.58 3mwo n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mwo s GLN 249 N -1.97 2.50 0.25 0.00 -1.52 0.37 -4.94 119.66 114.36 3mwo s GLN 249 Ca 0.54 -1.39 -0.31 0.00 -1.95 0.00 0.00 55.36 52.25 3mwo s GLN 249 Cb -0.49 -2.28 -0.12 0.00 -0.22 0.00 0.00 33.01 29.90 3mwo s GLN 249 CO 0.63 0.22 1.65 -2.14 -0.25 0.00 0.00 175.29 175.40 3mwo s PRO 250 N -3.82 4.13 0.31 2.91 0.02 -1.26 -4.58 135.00 132.70 3mwo s PRO 250 Ca 0.36 2.58 0.08 0.00 0.02 0.00 0.00 61.00 64.03 3mwo s PRO 250 Cb -0.05 -3.05 0.50 0.00 0.02 0.00 0.00 34.50 31.91 3mwo s PRO 250 CO 0.23 -0.68 1.72 1.25 -0.33 0.00 0.00 177.00 179.19 3mwo h LEU 251 N 5.82 0.21 0.00 -5.54 5.85 -1.94 -3.43 115.31 116.27 3mwo h LEU 251 Ca -0.45 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3mwo h LEU 251 Cb 1.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3mwo h LEU 251 CO 0.87 0.59 0.00 0.29 -0.34 0.00 0.00 178.44 179.86 3mwo n LYS 252 N -4.03 0.00 -2.11 1.25 5.02 -1.26 -2.83 118.16 114.19 3mwo n LYS 252 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 3mwo n LYS 252 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.48 3mwo n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3mwo n ASN 253 N 2.69 7.67 -4.07 4.39 5.15 -1.26 -4.91 115.26 124.92 3mwo n ASN 253 Ca 0.00 -3.20 -0.13 0.00 -0.60 0.00 0.00 54.58 50.65 3mwo n ASN 253 Cb 0.00 -1.35 -0.11 0.00 -0.53 0.00 0.00 39.78 37.78 3mwo n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mwo s ARG 254 N -1.36 0.55 -0.11 1.20 0.52 -1.13 -5.10 118.95 113.52 3mwo s ARG 254 Ca 0.51 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.97 3mwo s ARG 254 Cb 0.17 -0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.31 3mwo s ARG 254 CO -0.09 0.06 -0.16 -0.65 0.02 0.00 0.00 175.30 174.48 3mwo s GLN 255 N -1.58 3.13 -0.15 3.54 -0.21 -1.26 -5.04 119.66 118.09 3mwo s GLN 255 Ca -0.09 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.38 3mwo s GLN 255 Cb -0.10 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 3mwo s GLN 255 CO 0.01 0.27 0.38 0.42 -2.12 0.00 0.00 175.29 174.25 3mwo s ILE 256 N 0.16 5.25 -0.00 1.08 1.01 -1.26 -4.67 121.20 122.77 3mwo s ILE 256 Ca -0.09 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.30 3mwo s ILE 256 Cb -0.15 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3mwo s ILE 256 CO 0.06 0.34 -0.04 -0.54 0.00 0.00 0.00 174.94 174.76 3mwo s LYS 257 N 0.67 2.65 -0.04 2.79 1.02 -0.55 -1.96 119.74 124.32 3mwo s LYS 257 Ca 0.20 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.53 3mwo s LYS 257 Cb -0.14 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 3mwo s LYS 257 CO 0.07 0.61 -0.04 0.00 -0.92 0.00 0.00 175.35 175.07 3mwo s ALA 258 N -1.02 3.09 -2.08 5.17 0.00 0.08 -0.65 121.76 126.35 3mwo s ALA 258 Ca 0.18 -0.93 0.29 0.00 0.00 0.00 0.00 51.96 51.50 3mwo s ALA 258 Cb -0.11 -1.26 1.24 0.00 0.00 0.00 0.00 23.12 22.99 3mwo s ALA 258 CO 0.08 0.60 1.85 -1.13 0.00 0.00 0.00 175.76 177.17 3mwo n SER 259 N 1.85 0.85 -4.02 0.00 3.41 -0.00 -1.32 113.62 114.39 3mwo n SER 259 Ca -0.17 -1.07 -0.08 0.00 -0.26 0.00 0.00 58.87 57.29 3mwo n SER 259 Cb 0.53 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3mwo n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mwo s PHE 260 N -2.19 0.37 -1.67 7.33 -0.71 -1.26 -4.90 117.98 114.94 3mwo s PHE 260 Ca 0.36 -0.77 0.13 0.00 -1.04 0.00 0.00 56.93 55.62 3mwo s PHE 260 Cb 0.21 -0.27 0.11 0.00 -1.21 0.00 0.00 43.02 41.85 3mwo s PHE 260 CO 0.40 -0.30 0.92 0.36 -1.34 0.00 0.00 175.22 175.26