#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 2.55 0.00 1.57 1.48 -1.26 -4.86 118.94 118.42 3mwo s TRP 5 Ca 0.00 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 56.60 3mwo s TRP 5 Cb 0.00 -3.17 0.00 0.00 -1.16 0.00 0.00 33.47 29.14 3mwo s TRP 5 CO 0.00 -1.80 0.00 0.41 -4.06 0.00 0.00 176.95 171.50 3mwo n GLY 6 N -0.56 2.38 0.20 3.67 0.00 -0.18 -5.03 105.19 105.67 3mwo n GLY 6 Ca 0.10 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.99 1.61 4.01 -1.26 -3.76 117.16 115.77 3mwo n TYR 7 Ca 0.00 -0.47 -0.21 0.00 -0.16 0.00 0.00 57.90 57.06 3mwo n TYR 7 Cb 0.00 -0.08 0.14 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.64 -0.71 0.25 2.72 0.00 -1.26 -4.73 105.19 100.82 3mwo n GLY 8 Ca 0.06 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.31 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 0.23 -0.00 1.61 3.64 -1.98 -1.96 116.57 118.11 3mwo h LYS 9 Ca -0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3mwo h LYS 9 Cb 0.93 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3mwo h LYS 9 CO 0.25 0.33 -0.69 0.72 -2.27 0.00 0.00 179.45 177.79 3mwo n HIS 10 N -4.32 0.00 -1.47 1.91 8.25 -1.26 -4.53 115.22 113.80 3mwo n HIS 10 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3mwo n HIS 10 Cb 0.23 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 0.36 -2.77 0.41 6.94 -1.21 -4.94 115.26 112.99 3mwo n ASN 11 Ca 0.04 -1.80 -0.11 0.00 -0.02 0.00 0.00 54.58 52.69 3mwo n ASN 11 Cb 0.29 -0.15 0.08 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.18 -1.55 0.44 4.83 0.00 -0.74 -1.01 105.19 106.98 3mwo n GLY 12 Ca 0.02 -1.64 0.26 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 0.24 0.00 1.61 0.11 -1.87 0.99 132.00 133.08 3mwo h PRO 13 Ca -0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3mwo h PRO 13 Cb 0.46 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3mwo h PRO 13 CO 0.11 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.22 3mwo n GLU 14 N -4.46 0.20 -0.00 1.05 0.00 -1.26 -2.65 120.64 113.52 3mwo n GLU 14 Ca 0.23 0.43 0.11 0.00 0.00 0.00 0.00 57.16 57.92 3mwo n GLU 14 Cb 0.93 -1.88 -0.15 0.00 0.00 0.00 0.00 31.44 30.35 3mwo n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3mwo n HIS 15 N -2.25 0.01 0.20 -1.84 8.25 0.34 -4.64 115.22 115.29 3mwo n HIS 15 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 3mwo n HIS 15 Cb 0.23 -0.32 0.58 0.00 1.12 0.00 0.00 29.99 31.60 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 0.13 0.00 4.41 6.55 -1.46 -2.26 115.95 123.32 3mwo h TRP 16 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 3mwo h TRP 16 Cb 0.81 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 29.07 3mwo h TRP 16 CO 0.00 0.08 -0.01 1.12 -1.05 0.00 0.00 178.44 178.59 3mwo h HIS 17 N 0.14 0.00 -0.45 0.49 2.07 -1.79 0.30 115.15 115.90 3mwo h HIS 17 Ca 0.04 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.42 3mwo h HIS 17 Cb -0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 3mwo h HIS 17 CO 0.00 0.01 -0.27 0.87 -3.07 0.00 0.00 177.93 175.47 3mwo h LYS 18 N 0.00 0.98 0.00 5.12 1.57 -1.76 -2.73 116.57 119.74 3mwo h LYS 18 Ca -0.00 -0.45 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 3mwo h LYS 18 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3mwo h LYS 18 CO 0.00 1.12 -1.43 -0.25 -0.57 0.00 0.00 179.45 178.32 3mwo n ASP 19 N -4.09 0.70 -3.53 0.86 8.00 -0.92 -4.67 116.55 112.89 3mwo n ASP 19 Ca -0.01 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.52 3mwo n ASP 19 Cb 0.49 0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 42.00 3mwo n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mwo n PHE 20 N -2.75 0.50 0.26 1.24 3.72 0.05 -4.99 117.46 115.50 3mwo n PHE 20 Ca -0.08 -3.65 0.18 0.00 -0.05 0.00 0.00 57.45 53.85 3mwo n PHE 20 Cb 0.75 -0.06 0.90 0.00 -0.94 0.00 0.00 39.48 40.12 3mwo n PHE 20 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mwo h PRO 21 N 5.41 0.00 0.00 -1.08 0.11 -1.73 0.14 132.00 134.85 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 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mwo h PRO 21 CO 0.50 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.80 3mwo n ILE 22 N -3.39 1.55 0.01 4.15 0.13 -1.26 -2.10 119.36 118.44 3mwo n ILE 22 Ca 0.00 0.40 0.22 0.00 -1.10 0.00 0.00 62.75 62.27 3mwo n ILE 22 Cb 0.31 -1.29 0.73 0.00 -0.84 0.00 0.00 39.64 38.55 3mwo n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3mwo h ALA 23 N 2.21 2.38 -0.58 1.51 0.00 -1.28 0.11 119.26 123.62 3mwo h ALA 23 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3mwo h ALA 23 Cb 0.11 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 3mwo h ALA 23 CO 0.00 -0.75 0.17 1.63 0.00 0.00 0.00 179.25 180.30 3mwo n LYS 24 N -4.02 3.02 -0.83 0.00 5.02 -0.89 -4.95 118.16 115.51 3mwo n LYS 24 Ca 0.10 -3.05 -0.17 0.00 -2.02 0.00 0.00 58.31 53.17 3mwo n LYS 24 Cb 0.69 -2.05 0.13 0.00 -0.02 0.00 0.00 35.03 33.78 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 -0.53 -1.96 0.02 0.72 0.00 0.38 -4.99 105.19 98.83 3mwo n GLY 25 Ca 0.37 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.96 0.11 -2.96 1.61 -0.58 -1.26 -4.33 120.64 110.27 3mwo n GLU 26 Ca 0.09 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.72 3mwo n GLU 26 Cb 0.33 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3mwo n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3mwo n ARG 27 N -1.74 1.04 -3.19 3.49 1.85 -1.26 -4.55 116.66 112.30 3mwo n ARG 27 Ca 0.05 -3.23 -0.32 0.00 -1.00 0.00 0.00 57.85 53.36 3mwo n ARG 27 Cb 0.38 -1.46 -0.05 0.00 -1.05 0.00 0.00 32.46 30.27 3mwo n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3mwo s GLN 28 N -2.49 3.86 0.17 2.89 -1.52 -1.26 -2.79 119.66 118.52 3mwo s GLN 28 Ca 0.34 0.45 0.08 0.00 -1.95 0.00 0.00 55.36 54.28 3mwo s GLN 28 Cb 0.39 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 30.63 3mwo s GLN 28 CO -0.04 0.18 -0.18 -1.12 -0.25 0.00 0.00 175.29 173.89 3mwo s SER 29 N -2.54 2.62 1.01 5.90 0.01 -1.26 -4.65 113.70 114.78 3mwo s SER 29 Ca 0.51 -0.87 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 3mwo s SER 29 Cb -0.11 -0.15 0.19 0.00 0.21 0.00 0.00 66.02 66.17 3mwo s SER 29 CO 0.22 -0.06 1.10 -0.81 0.41 0.00 0.00 173.24 174.10 3mwo n PRO 30 N 0.24 -1.18 -4.12 12.44 -0.04 -1.26 -4.55 135.00 136.52 3mwo n PRO 30 Ca -0.13 -1.70 -0.09 0.00 -0.04 0.00 0.00 63.50 61.55 3mwo n PRO 30 Cb 0.57 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 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 -3.37 0.32 0.09 0.52 -7.23 -1.26 -0.56 120.40 108.90 3mwo s VAL 31 Ca 0.63 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 3mwo s VAL 31 Cb -0.02 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.19 3mwo s VAL 31 CO 0.44 -0.85 1.14 -0.62 -0.31 0.00 0.00 175.10 174.90 3mwo s ASP 32 N -2.98 7.17 -0.53 4.85 2.15 -1.26 -3.02 116.67 123.04 3mwo s ASP 32 Ca 0.12 2.00 -0.19 0.00 0.43 0.00 0.00 52.55 54.91 3mwo s ASP 32 Cb 0.07 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.18 3mwo s ASP 32 CO -0.06 -0.37 0.65 -0.63 -0.17 0.00 0.00 175.17 174.58 3mwo s ILE 33 N 0.64 4.86 -0.62 4.11 1.01 0.69 -4.94 121.20 126.95 3mwo s ILE 33 Ca 0.55 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 60.26 3mwo s ILE 33 Cb -0.29 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 37.86 3mwo s ILE 33 CO 0.31 -0.91 1.16 -0.62 0.00 0.00 0.00 174.94 174.88 3mwo s ASP 34 N 3.00 6.34 0.54 3.58 -1.08 -1.26 -0.76 116.67 127.02 3mwo s ASP 34 Ca 0.14 -0.19 0.35 0.00 -0.52 0.00 0.00 52.55 52.32 3mwo s ASP 34 Cb -0.21 -2.53 1.58 0.00 -1.46 0.00 0.00 42.92 40.30 3mwo s ASP 34 CO 0.10 -1.53 2.04 0.71 0.52 0.00 0.00 175.17 177.01 3mwo h THR 35 N 6.09 0.00 0.00 1.71 1.35 -1.94 -2.00 112.91 118.11 3mwo h THR 35 Ca -0.26 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3mwo h THR 35 Cb 1.06 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3mwo h THR 35 CO 1.19 0.00 -0.69 0.45 -0.25 0.00 0.00 175.52 176.22 3mwo h HIS 36 N 0.00 0.00 -0.00 4.73 3.86 -2.03 -3.32 115.15 118.39 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 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3mwo h HIS 36 CO 0.00 0.00 -0.58 0.25 0.86 0.00 0.00 177.93 178.46 3mwo n THR 37 N -2.13 0.00 -2.00 2.45 -2.24 -0.91 -4.96 114.28 104.48 3mwo n THR 37 Ca 0.03 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 3mwo n THR 37 Cb 0.45 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3mwo n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mwo s ALA 38 N -2.19 3.59 -0.20 6.98 0.00 -0.80 -4.83 121.76 124.30 3mwo s ALA 38 Ca 0.07 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.29 3mwo s ALA 38 Cb 0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3mwo s ALA 38 CO 0.53 -0.77 0.10 0.21 0.00 0.00 0.00 175.76 175.83 3mwo s LYS 39 N -1.05 4.02 0.17 0.00 2.20 -0.66 -4.82 119.74 119.61 3mwo s LYS 39 Ca 0.55 -0.31 -0.32 0.00 -0.36 0.00 0.00 55.97 55.54 3mwo s LYS 39 Cb -0.42 -3.35 -0.11 0.00 -1.51 0.00 0.00 37.83 32.45 3mwo s LYS 39 CO 0.49 0.20 1.68 -0.47 -0.36 0.00 0.00 175.35 176.89 3mwo s TYR 40 N 0.62 2.78 -0.38 4.03 5.04 -1.26 -0.52 117.35 127.67 3mwo s TYR 40 Ca 0.05 0.37 0.04 0.00 -2.44 0.00 0.00 57.07 55.09 3mwo s TYR 40 Cb -0.13 -4.06 0.11 0.00 0.35 0.00 0.00 41.96 38.23 3mwo s TYR 40 CO 0.01 -4.07 0.09 0.34 -1.34 0.00 0.00 175.55 170.58 3mwo s ASP 41 N 1.55 4.66 0.42 4.32 -1.08 -0.29 -4.87 116.67 121.37 3mwo s ASP 41 Ca 0.74 -2.32 0.29 0.00 -0.52 0.00 0.00 52.55 50.74 3mwo s ASP 41 Cb -0.46 -1.62 1.46 0.00 -1.46 0.00 0.00 42.92 40.84 3mwo s ASP 41 CO 0.32 -0.35 1.87 -0.65 0.52 0.00 0.00 175.17 176.89 3mwo h PRO 42 N 7.40 0.00 0.00 4.34 0.11 -1.93 -1.55 132.00 140.37 3mwo h PRO 42 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3mwo h PRO 42 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3mwo h PRO 42 CO 0.55 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.17 3mwo n SER 43 N -2.54 0.82 -4.69 -2.05 3.41 -1.26 -4.83 113.62 102.49 3mwo n SER 43 Ca -0.01 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 3mwo n SER 43 Cb 0.11 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.29 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 -4.53 4.36 0.72 1.04 1.43 -0.58 -5.00 118.68 116.12 3mwo s LEU 44 Ca 0.10 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3mwo s LEU 44 Cb 0.12 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.80 3mwo s LEU 44 CO 0.61 -0.87 1.07 -0.54 0.23 0.00 0.00 176.35 176.85 3mwo s LYS 45 N 2.47 2.73 0.55 1.70 3.01 -1.24 -4.96 119.74 124.00 3mwo s LYS 45 Ca 0.73 0.88 -0.21 0.00 -1.01 0.00 0.00 55.97 56.35 3mwo s LYS 45 Cb -0.40 -1.97 -0.05 0.00 -1.01 0.00 0.00 37.83 34.41 3mwo s LYS 45 CO 0.32 -1.22 1.34 -2.14 0.51 0.00 0.00 175.35 174.16 3mwo s PRO 46 N -5.07 3.11 0.34 -1.68 0.02 -1.26 -3.17 135.00 127.28 3mwo s PRO 46 Ca 0.59 2.19 -0.28 0.00 0.02 0.00 0.00 61.00 63.52 3mwo s PRO 46 Cb -0.14 -2.22 -0.10 0.00 0.02 0.00 0.00 34.50 32.06 3mwo s PRO 46 CO 0.55 -1.20 1.30 -1.17 -0.33 0.00 0.00 177.00 176.15 3mwo s LEU 47 N -3.59 4.41 -0.32 -5.54 2.96 -1.26 -2.06 118.68 113.28 3mwo s LEU 47 Ca 0.72 2.67 -0.06 0.00 -0.22 0.00 0.00 54.13 57.25 3mwo s LEU 47 Cb -0.39 -3.67 0.03 0.00 0.50 0.00 0.00 46.19 42.66 3mwo s LEU 47 CO 0.46 -0.55 0.08 -0.55 -1.32 0.00 0.00 176.35 174.47 3mwo s SER 48 N -0.52 5.18 -0.32 3.68 0.15 -0.08 -4.87 113.70 116.91 3mwo s SER 48 Ca 0.49 -1.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 3mwo s SER 48 Cb -0.39 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.13 3mwo s SER 48 CO 0.52 -0.28 0.05 -0.69 1.20 0.00 0.00 173.24 174.04 3mwo s VAL 49 N 1.40 3.31 -0.55 4.45 1.01 -1.26 -1.47 120.40 127.28 3mwo s VAL 49 Ca -0.01 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 60.68 3mwo s VAL 49 Cb -0.19 -2.91 0.14 0.00 0.00 0.00 0.00 36.38 33.42 3mwo s VAL 49 CO 0.02 -0.16 0.31 -0.44 0.00 0.00 0.00 175.10 174.83 3mwo s SER 50 N 1.34 4.56 -0.03 3.32 0.01 -0.36 -4.91 113.70 117.63 3mwo s SER 50 Ca -0.03 -3.00 0.14 0.00 1.31 0.00 0.00 55.95 54.36 3mwo s SER 50 Cb -0.20 -1.70 0.41 0.00 0.21 0.00 0.00 66.02 64.75 3mwo s SER 50 CO 0.00 -0.26 1.34 -1.22 0.41 0.00 0.00 173.24 173.51 3mwo n TYR 51 N 3.16 0.67 0.22 2.43 4.01 -1.26 -1.78 117.16 124.60 3mwo n TYR 51 Ca 0.06 -0.55 0.07 0.00 -0.16 0.00 0.00 57.90 57.31 3mwo n TYR 51 Cb 0.34 -0.07 0.57 0.00 -0.31 0.00 0.00 39.34 39.86 3mwo n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3mwo h ASP 52 N 2.45 0.05 -0.50 7.72 3.58 -1.91 -1.79 116.42 126.02 3mwo h ASP 52 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3mwo h ASP 52 Cb 0.91 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.94 3mwo h ASP 52 CO 0.04 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.51 3mwo n GLN 53 N -4.46 3.46 -1.73 0.28 1.13 -1.24 -5.00 117.38 109.82 3mwo n GLN 53 Ca -0.02 -2.73 -0.42 0.00 -1.94 0.00 0.00 57.00 51.88 3mwo n GLN 53 Cb 0.14 -1.78 -0.01 0.00 0.11 0.00 0.00 30.24 28.70 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 0.63 1.93 -3.89 -1.58 0.00 -0.68 -4.68 120.51 112.24 3mwo n ALA 54 Ca 0.22 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 3mwo n ALA 54 Cb 0.82 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.76 3mwo n ALA 54 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mwo s THR 55 N -0.69 1.75 0.52 0.00 -4.23 -1.26 -4.92 115.64 106.82 3mwo s THR 55 Ca 0.59 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.77 3mwo s THR 55 Cb -0.53 -2.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.95 3mwo s THR 55 CO 0.58 -0.67 1.06 -0.94 -0.54 0.00 0.00 174.62 174.10 3mwo s SER 56 N 0.98 6.08 0.00 3.99 1.04 -1.26 -1.02 113.70 123.51 3mwo s SER 56 Ca 0.12 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.49 3mwo s SER 56 Cb -0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3mwo s SER 56 CO -0.12 -0.96 0.00 0.18 0.98 0.00 0.00 173.24 173.31 3mwo n LEU 57 N -1.30 1.90 -3.54 2.42 4.77 0.60 -3.94 117.00 117.92 3mwo n LEU 57 Ca 0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3mwo n LEU 57 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3mwo n LEU 57 CO 0.42 0.30 0.31 -0.60 -1.33 0.00 0.00 177.39 176.50 3mwo s ARG 58 N -1.94 1.11 -0.05 3.23 3.52 -1.21 -1.22 118.95 122.40 3mwo s ARG 58 Ca 0.00 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 3mwo s ARG 58 Cb 0.00 0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 33.89 3mwo s ARG 58 CO 0.00 -0.42 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.36 3mwo s ILE 59 N -2.83 1.72 -0.05 4.11 2.07 -0.24 -0.71 121.20 125.27 3mwo s ILE 59 Ca -0.03 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 3mwo s ILE 59 Cb -0.00 -1.46 0.02 0.00 0.13 0.00 0.00 42.46 41.14 3mwo s ILE 59 CO -0.05 0.49 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.18 3mwo s LEU 60 N -0.11 1.43 -0.46 8.50 2.96 -0.18 -1.15 118.68 129.66 3mwo s LEU 60 Ca -0.02 -0.18 -0.25 0.00 -0.22 0.00 0.00 54.13 53.46 3mwo s LEU 60 Cb -0.12 -0.57 0.03 0.00 0.50 0.00 0.00 46.19 46.03 3mwo s LEU 60 CO 0.02 -0.03 0.88 0.21 -1.32 0.00 0.00 176.35 176.11 3mwo s ASN 61 N 0.85 6.47 0.00 3.68 3.84 -0.40 -0.75 114.94 128.63 3mwo s ASN 61 Ca -0.12 0.04 0.22 0.00 0.21 0.00 0.00 52.86 53.21 3mwo s ASN 61 Cb -0.15 -2.43 0.61 0.00 -0.55 0.00 0.00 41.25 38.73 3mwo s ASN 61 CO 0.01 -1.00 1.51 -0.46 -2.79 0.00 0.00 177.10 174.37 3mwo n ASN 62 N 7.01 3.74 0.00 -4.21 0.23 -0.77 -0.34 115.26 120.93 3mwo n ASN 62 Ca 0.05 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 3mwo n ASN 62 Cb 0.48 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 1.61 1.74 0.00 4.83 0.00 -1.26 -4.79 105.19 107.32 3mwo n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.57 1.61 -0.00 -1.26 -4.68 115.22 105.33 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 -0.80 -1.10 -2.73 1.59 0.00 -1.26 -4.89 120.51 111.31 3mwo n ALA 65 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 3mwo n ALA 65 Cb 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 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 -4.69 2.75 -0.20 0.00 -0.71 -1.26 -1.84 117.98 112.02 3mwo s PHE 66 Ca 0.09 -0.36 -0.06 0.00 -1.04 0.00 0.00 56.93 55.57 3mwo s PHE 66 Cb -0.02 -1.72 -0.03 0.00 -1.21 0.00 0.00 43.02 40.05 3mwo s PHE 66 CO 0.03 0.02 0.02 -0.80 -1.34 0.00 0.00 175.22 173.16 3mwo s ASN 67 N -0.28 5.01 -0.34 1.98 -0.87 0.07 -4.26 114.94 116.27 3mwo s ASN 67 Ca 0.02 -0.15 -0.21 0.00 -1.57 0.00 0.00 52.86 50.95 3mwo s ASN 67 Cb -0.13 -1.86 -0.00 0.00 -0.02 0.00 0.00 41.25 39.24 3mwo s ASN 67 CO 0.03 0.07 0.65 -0.69 -2.57 0.00 0.00 177.10 174.59 3mwo s VAL 68 N 0.98 4.89 0.00 1.60 1.01 0.11 -1.01 120.40 127.98 3mwo s VAL 68 Ca 0.02 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 3mwo s VAL 68 Cb -0.14 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3mwo s VAL 68 CO 0.02 -0.26 0.18 -1.61 0.00 0.00 0.00 175.10 173.43 3mwo s GLU 69 N 2.72 3.41 0.19 2.72 2.02 0.11 -1.26 118.70 128.61 3mwo s GLU 69 Ca 0.26 -0.35 0.11 0.00 0.02 0.00 0.00 54.97 55.01 3mwo s GLU 69 Cb -0.14 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3mwo s GLU 69 CO 0.14 0.66 -0.24 -0.06 0.02 0.00 0.00 175.26 175.78 3mwo s PHE 70 N -1.35 2.31 -0.42 1.61 0.40 -0.30 -0.29 117.98 119.93 3mwo s PHE 70 Ca 0.28 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 3mwo s PHE 70 Cb -0.13 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.26 3mwo s PHE 70 CO 0.20 0.49 1.51 0.34 0.70 0.00 0.00 175.22 178.46 3mwo s ASP 71 N -2.63 6.17 -0.38 1.36 2.15 -0.19 -4.84 116.67 118.32 3mwo s ASP 71 Ca 0.20 0.83 0.06 0.00 0.43 0.00 0.00 52.55 54.07 3mwo s ASP 71 Cb -0.08 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.56 3mwo s ASP 71 CO 0.10 -1.57 1.65 -0.90 -0.17 0.00 0.00 175.17 174.28 3mwo n ASP 72 N 9.40 3.46 -0.19 -0.34 5.75 -1.26 -4.54 116.55 128.83 3mwo n ASP 72 Ca 0.17 -3.74 0.12 0.00 -0.01 0.00 0.00 54.79 51.34 3mwo n ASP 72 Cb 0.48 -0.72 0.22 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.09 1.05 -4.22 -1.12 3.41 -1.26 -4.89 113.62 105.48 3mwo n SER 73 Ca 0.45 -0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 58.10 3mwo n SER 73 Cb 1.21 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.70 1.08 -1.15 4.33 -0.21 -1.26 -5.07 119.66 114.68 3mwo s GLN 74 Ca 0.18 -1.52 -0.22 0.00 0.02 0.00 0.00 55.36 53.82 3mwo s GLN 74 Cb 0.18 -0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.05 3mwo s GLN 74 CO 0.62 -0.17 1.80 0.34 -2.12 0.00 0.00 175.29 175.76 3mwo s ASP 75 N -3.15 5.86 0.00 5.90 -1.08 -1.26 -4.63 116.67 118.31 3mwo s ASP 75 Ca 0.25 -1.73 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 3mwo s ASP 75 Cb 0.07 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3mwo s ASP 75 CO 0.04 -2.17 0.00 0.29 0.52 0.00 0.00 175.17 173.85 3mwo n LYS 76 N 8.51 0.00 -3.66 4.34 4.76 -1.26 -4.97 118.16 125.87 3mwo n LYS 76 Ca 0.44 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.58 3mwo n LYS 76 Cb 0.47 -0.87 -0.15 0.00 -1.84 0.00 0.00 35.03 32.65 3mwo n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mwo s ALA 77 N -2.00 1.30 0.06 7.82 0.00 -1.26 -3.54 121.76 124.14 3mwo s ALA 77 Ca 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.42 3mwo s ALA 77 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3mwo s ALA 77 CO 0.00 -1.73 -0.21 0.14 0.00 0.00 0.00 175.76 173.96 3mwo s VAL 78 N 1.60 1.68 -0.12 0.00 -7.23 -0.74 -0.46 120.40 115.12 3mwo s VAL 78 Ca 0.11 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3mwo s VAL 78 Cb -0.18 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3mwo s VAL 78 CO -0.24 0.14 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.38 3mwo s LEU 79 N -1.35 2.94 0.37 1.32 2.96 0.52 -1.22 118.68 124.21 3mwo s LEU 79 Ca 0.07 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3mwo s LEU 79 Cb -0.09 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.95 3mwo s LEU 79 CO 0.02 0.21 0.59 -1.59 -1.32 0.00 0.00 176.35 174.26 3mwo s LYS 80 N 0.12 2.06 2.48 1.98 -2.85 -0.54 -1.04 119.74 121.95 3mwo s LYS 80 Ca -0.04 -1.69 0.00 0.00 -1.00 0.00 0.00 55.97 53.24 3mwo s LYS 80 Cb -0.14 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 3mwo s LYS 80 CO 0.04 -0.90 0.00 0.41 0.10 0.00 0.00 175.35 175.00 3mwo n GLY 81 N -0.57 -0.48 7.00 0.59 0.00 -1.26 -0.90 105.19 109.57 3mwo n GLY 81 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 3.33 0.00 -0.02 0.00 -0.87 -1.33 105.19 106.30 3mwo n GLY 82 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 0.43 -3.22 1.61 -0.04 -1.26 -3.66 135.00 142.86 3mwo n PRO 83 Ca 0.00 -0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3mwo n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.58 4.35 -0.19 1.53 1.43 -0.44 -5.07 118.68 117.71 3mwo s LEU 84 Ca 0.28 1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 54.57 3mwo s LEU 84 Cb 0.20 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3mwo s LEU 84 CO 0.46 0.07 0.06 -1.81 0.23 0.00 0.00 176.35 175.37 3mwo s ASP 85 N -1.66 5.60 0.00 2.29 1.01 -1.26 -4.24 116.67 118.41 3mwo s ASP 85 Ca 0.40 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.73 3mwo s ASP 85 Cb -0.16 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3mwo s ASP 85 CO 0.20 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.35 3mwo n GLY 86 N 3.62 -1.35 3.07 0.21 0.00 -1.26 -4.95 105.19 104.53 3mwo n GLY 86 Ca -0.16 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 3mwo n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mwo s THR 87 N 0.00 1.06 -0.07 2.61 -1.32 -1.26 -4.44 115.64 112.21 3mwo s THR 87 Ca 0.00 -0.54 0.04 0.00 -1.21 0.00 0.00 61.69 59.99 3mwo s THR 87 Cb 0.00 -0.90 -0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3mwo s THR 87 CO 0.00 0.31 -0.20 -0.31 -2.21 0.00 0.00 174.62 172.20 3mwo s TYR 88 N -0.07 2.12 -0.16 9.09 1.51 -0.21 -1.37 117.35 128.27 3mwo s TYR 88 Ca 0.00 -0.74 -0.08 0.00 -1.01 0.00 0.00 57.07 55.25 3mwo s TYR 88 Cb -0.08 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3mwo s TYR 88 CO 0.00 -0.28 0.11 0.50 -1.11 0.00 0.00 175.55 174.77 3mwo s ARG 89 N 0.19 3.76 0.08 -0.62 3.52 0.29 -0.35 118.95 125.82 3mwo s ARG 89 Ca -0.11 -0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 54.96 3mwo s ARG 89 Cb -0.15 -3.24 -0.08 0.00 -1.56 0.00 0.00 34.95 29.92 3mwo s ARG 89 CO 0.05 0.51 1.56 -1.17 -0.81 0.00 0.00 175.30 175.44 3mwo s LEU 90 N -0.28 4.36 -0.14 -0.88 2.96 0.39 -1.27 118.68 123.81 3mwo s LEU 90 Ca 0.10 2.42 0.01 0.00 -0.22 0.00 0.00 54.13 56.45 3mwo s LEU 90 Cb -0.12 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3mwo s LEU 90 CO 0.01 -0.82 -0.12 0.00 -1.32 0.00 0.00 176.35 174.10 3mwo n ILE 91 N 4.48 0.81 -3.48 6.68 3.06 -0.29 -4.50 119.36 126.13 3mwo n ILE 91 Ca 0.14 -0.31 -0.10 0.00 -2.50 0.00 0.00 62.75 59.98 3mwo n ILE 91 Cb 0.41 -1.00 -0.02 0.00 0.54 0.00 0.00 39.64 39.57 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 -2.28 1.02 0.18 9.51 1.03 -1.21 -1.15 119.66 126.76 3mwo s GLN 92 Ca -0.19 -0.38 0.07 0.00 0.04 0.00 0.00 55.36 54.90 3mwo s GLN 92 Cb 0.05 0.47 -0.04 0.00 0.03 0.00 0.00 33.01 33.51 3mwo s GLN 92 CO 0.33 -0.45 -0.15 -0.59 -2.54 0.00 0.00 175.29 171.89 3mwo s PHE 93 N -3.38 1.67 0.32 9.60 -0.12 -0.39 -0.78 117.98 124.90 3mwo s PHE 93 Ca 0.04 -0.55 -0.15 0.00 -0.05 0.00 0.00 56.93 56.21 3mwo s PHE 93 Cb -0.01 -0.80 0.03 0.00 -0.63 0.00 0.00 43.02 41.60 3mwo s PHE 93 CO -0.10 0.31 0.66 -3.38 -0.05 0.00 0.00 175.22 172.66 3mwo s HIS 94 N -2.65 0.21 0.24 3.49 -3.43 -0.69 -0.71 115.29 111.75 3mwo s HIS 94 Ca 0.19 -0.69 0.07 0.00 -0.80 0.00 0.00 55.06 53.83 3mwo s HIS 94 Cb -0.02 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.62 3mwo s HIS 94 CO 0.06 -1.29 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.34 3mwo s PHE 95 N -3.25 1.82 -0.02 0.38 0.40 -1.26 -0.64 117.98 115.41 3mwo s PHE 95 Ca 0.18 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 3mwo s PHE 95 Cb -0.04 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 3mwo s PHE 95 CO 0.11 0.32 -0.20 -1.01 0.70 0.00 0.00 175.22 175.14 3mwo s HIS 96 N -2.99 1.80 0.25 0.36 3.76 -0.06 -4.74 115.29 113.67 3mwo s HIS 96 Ca 0.26 -0.37 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 3mwo s HIS 96 Cb 0.01 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 3mwo s HIS 96 CO 0.09 -0.05 0.47 1.67 -0.85 0.00 0.00 174.74 176.07 3mwo s TRP 97 N -0.40 0.42 0.52 1.40 -2.14 -1.20 -0.99 118.94 116.54 3mwo s TRP 97 Ca 0.06 -0.77 0.08 0.00 2.66 0.00 0.00 56.10 58.12 3mwo s TRP 97 Cb -0.08 0.15 0.04 0.00 -3.10 0.00 0.00 33.47 30.49 3mwo s TRP 97 CO -0.00 -0.99 0.57 0.20 -2.66 0.00 0.00 176.95 174.07 3mwo s GLY 98 N -3.03 2.03 0.14 3.67 0.00 -1.17 -1.02 107.32 107.93 3mwo s GLY 98 Ca 0.23 -1.78 0.25 0.00 0.00 0.00 0.00 44.72 43.43 3mwo s GLY 98 CO 0.10 -1.75 1.54 -1.14 0.00 0.00 0.00 173.10 171.85 3mwo n SER 99 N -1.93 0.70 -4.02 1.64 3.41 -1.26 -4.30 113.62 107.87 3mwo n SER 99 Ca 0.07 0.30 -0.08 0.00 -0.26 0.00 0.00 58.87 58.91 3mwo n SER 99 Cb 0.62 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 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 -4.21 2.22 0.53 1.04 1.43 -1.26 -5.05 118.68 113.38 3mwo s LEU 100 Ca 0.09 -0.75 0.30 0.00 -1.03 0.00 0.00 54.13 52.73 3mwo s LEU 100 Cb 0.13 0.30 1.50 0.00 0.03 0.00 0.00 46.19 48.16 3mwo s LEU 100 CO 0.66 -0.51 2.07 0.44 0.23 0.00 0.00 176.35 179.24 3mwo h ASP 101 N 3.63 0.00 0.04 2.29 3.32 -1.92 -2.82 116.42 120.95 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 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3mwo h ASP 101 CO 0.56 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.79 3mwo n GLY 102 N -0.58 -0.69 3.52 2.75 0.00 -1.26 -3.47 105.19 105.47 3mwo n GLY 102 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.05 1.40 0.00 1.61 -2.07 -1.07 -4.72 119.66 112.76 3mwo s GLN 103 Ca 0.31 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 3mwo s GLN 103 Cb 0.14 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 3mwo s GLN 103 CO 0.25 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 3mwo n GLY 104 N -0.33 1.58 3.82 2.60 0.00 -1.02 -3.05 105.19 108.79 3mwo n GLY 104 Ca -0.08 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 5.91 -0.16 1.61 1.04 -0.51 -3.28 113.70 118.31 3mwo s SER 105 Ca 0.00 1.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 3mwo s SER 105 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 3mwo s SER 105 CO 0.00 -1.08 -0.19 -0.62 0.98 0.00 0.00 173.24 172.33 3mwo n GLU 106 N -2.33 0.48 -2.09 4.02 1.02 -1.26 -4.85 120.64 115.63 3mwo n GLU 106 Ca 0.08 0.47 -0.35 0.00 -0.02 0.00 0.00 57.16 57.33 3mwo n GLU 106 Cb 0.53 -1.65 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.38 2.53 0.21 -0.32 3.76 -1.26 -4.20 115.29 113.63 3mwo s HIS 107 Ca -0.19 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 56.33 3mwo s HIS 107 Cb 0.03 -3.37 -0.05 0.00 1.11 0.00 0.00 32.58 30.30 3mwo s HIS 107 CO 0.29 -1.89 -0.14 0.95 -0.85 0.00 0.00 174.74 173.10 3mwo s THR 108 N -1.75 1.76 -0.24 1.30 -4.23 -1.17 -4.70 115.64 106.61 3mwo s THR 108 Ca 0.74 -2.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3mwo s THR 108 Cb -0.27 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.57 3mwo s THR 108 CO 0.31 -0.58 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.07 3mwo s VAL 109 N -2.96 1.64 -1.54 2.29 1.01 -0.80 -0.22 120.40 119.83 3mwo s VAL 109 Ca 0.23 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3mwo s VAL 109 Cb -0.01 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.54 3mwo s VAL 109 CO 0.07 -0.12 0.64 0.47 0.00 0.00 0.00 175.10 176.16 3mwo n ASP 110 N 4.62 -2.07 0.00 3.32 8.00 0.06 -0.84 116.55 129.64 3mwo n ASP 110 Ca -0.11 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3mwo n ASP 110 Cb 0.44 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 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 -4.43 0.00 -2.34 -1.24 4.76 -1.26 -5.00 118.16 108.65 3mwo n LYS 111 Ca -0.12 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 3mwo n LYS 111 Cb 0.59 -3.05 -0.03 0.00 -1.84 0.00 0.00 35.03 30.70 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 -0.29 4.37 -0.15 1.97 2.20 -0.02 -4.99 119.74 122.84 3mwo s LYS 112 Ca 0.00 1.85 -0.15 0.00 -0.36 0.00 0.00 55.97 57.32 3mwo s LYS 112 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 3mwo s LYS 112 CO 0.00 -0.38 0.33 0.15 -0.36 0.00 0.00 175.35 175.09 3mwo s LYS 113 N 1.50 4.25 0.58 4.03 1.02 -1.26 -1.90 119.74 127.96 3mwo s LYS 113 Ca 0.60 0.18 -0.03 0.00 0.02 0.00 0.00 55.97 56.75 3mwo s LYS 113 Cb -0.31 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.61 3mwo s LYS 113 CO 0.28 0.24 0.85 0.71 -0.92 0.00 0.00 175.35 176.51 3mwo s TYR 114 N 0.43 3.06 0.37 3.18 2.02 -1.26 -4.64 117.35 120.50 3mwo s TYR 114 Ca 0.19 0.33 0.16 0.00 -0.37 0.00 0.00 57.07 57.38 3mwo s TYR 114 Cb -0.14 -2.77 0.89 0.00 -0.40 0.00 0.00 41.96 39.55 3mwo s TYR 114 CO 0.06 -0.89 1.89 0.00 -1.57 0.00 0.00 175.55 175.04 3mwo h ALA 115 N -0.10 1.38 -2.83 3.71 0.00 -1.43 -1.28 119.26 118.72 3mwo h ALA 115 Ca -0.44 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.28 3mwo h ALA 115 Cb 1.28 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3mwo h ALA 115 CO 0.58 0.37 0.31 0.00 0.00 0.00 0.00 179.25 180.51 3mwo s ALA 116 N -4.21 -1.25 -0.11 0.00 0.00 -1.08 -3.05 121.76 112.06 3mwo s ALA 116 Ca -0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 3mwo s ALA 116 Cb 0.14 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.08 3mwo s ALA 116 CO 0.69 -1.03 0.25 -2.00 0.00 0.00 0.00 175.76 173.67 3mwo s GLU 117 N -3.38 0.19 -0.10 0.00 2.12 -0.16 -1.18 118.70 116.18 3mwo s GLU 117 Ca 0.13 0.58 -0.15 0.00 0.36 0.00 0.00 54.97 55.89 3mwo s GLU 117 Cb -0.05 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 3mwo s GLU 117 CO 0.07 -0.19 0.36 -1.17 -0.54 0.00 0.00 175.26 173.79 3mwo s LEU 118 N 1.51 4.32 -0.22 2.70 2.96 0.36 -0.88 118.68 129.43 3mwo s LEU 118 Ca -0.07 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 3mwo s LEU 118 Cb -0.11 -2.50 0.04 0.00 0.50 0.00 0.00 46.19 44.13 3mwo s LEU 118 CO -0.09 0.15 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.94 3mwo s HIS 119 N 0.01 3.03 -0.38 5.38 3.76 0.18 -0.89 115.29 126.38 3mwo s HIS 119 Ca 0.21 -1.99 -0.15 0.00 -0.15 0.00 0.00 55.06 52.98 3mwo s HIS 119 Cb -0.14 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.62 3mwo s HIS 119 CO 0.08 -0.84 0.34 -0.51 -0.85 0.00 0.00 174.74 172.96 3mwo s LEU 120 N 1.20 4.76 -0.22 0.89 1.43 -0.18 -1.71 118.68 124.85 3mwo s LEU 120 Ca -0.02 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3mwo s LEU 120 Cb -0.17 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 3mwo s LEU 120 CO -0.09 -0.42 0.20 -0.69 0.23 0.00 0.00 176.35 175.58 3mwo s VAL 121 N 1.91 5.34 0.04 -1.59 1.01 0.04 -1.28 120.40 125.86 3mwo s VAL 121 Ca 0.09 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.41 3mwo s VAL 121 Cb -0.17 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3mwo s VAL 121 CO 0.12 0.35 -0.15 -1.00 0.00 0.00 0.00 175.10 174.41 3mwo s HIS 122 N 0.91 1.35 0.08 5.22 3.76 -0.33 -1.14 115.29 125.14 3mwo s HIS 122 Ca 0.10 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.73 3mwo s HIS 122 Cb -0.13 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 3mwo s HIS 122 CO 0.04 0.05 -0.19 1.67 -0.85 0.00 0.00 174.74 175.46 3mwo s TRP 123 N -0.88 2.51 -0.13 1.40 1.48 -0.40 -0.77 118.94 122.16 3mwo s TRP 123 Ca 0.03 -0.28 -0.29 0.00 -1.06 0.00 0.00 56.10 54.49 3mwo s TRP 123 Cb -0.08 -1.39 -0.03 0.00 -1.16 0.00 0.00 33.47 30.81 3mwo s TRP 123 CO 0.01 0.31 1.40 1.21 -4.06 0.00 0.00 176.95 175.82 3mwo s ASN 124 N -1.78 6.84 0.49 -2.66 3.84 0.36 -0.55 114.94 121.48 3mwo s ASN 124 Ca 0.16 1.87 0.33 0.00 0.21 0.00 0.00 52.86 55.43 3mwo s ASN 124 Cb -0.10 -2.54 1.64 0.00 -0.55 0.00 0.00 41.25 39.70 3mwo s ASN 124 CO 0.07 -0.83 2.01 0.71 -2.79 0.00 0.00 177.10 176.27 3mwo h THR 125 N 5.53 0.00 0.00 -5.21 1.35 -1.57 -1.50 112.91 111.52 3mwo h THR 125 Ca -0.31 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3mwo h THR 125 Cb 1.13 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3mwo h THR 125 CO 0.97 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.31 3mwo h LYS 127 N 0.00 0.00 -0.20 4.72 2.10 -1.90 -2.27 116.57 119.02 3mwo h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mwo h LYS 127 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3mwo h LYS 127 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3mwo n TYR 128 N -2.35 0.24 0.00 0.07 4.01 -0.56 -5.01 117.16 113.57 3mwo n TYR 128 Ca 0.01 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3mwo n TYR 128 Cb 0.17 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.13 1.45 3.79 2.72 0.00 -0.86 -4.47 105.19 108.95 3mwo n GLY 129 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.02 -0.12 0.18 1.61 1.47 -1.26 -5.05 116.67 113.51 3mwo s ASP 130 Ca 0.00 -0.82 -0.13 0.00 1.18 0.00 0.00 52.55 52.78 3mwo s ASP 130 Cb 0.00 0.74 0.08 0.00 -0.34 0.00 0.00 42.92 43.40 3mwo s ASP 130 CO 0.00 -1.40 1.78 0.15 0.68 0.00 0.00 175.17 176.38 3mwo h PHE 131 N 2.04 0.82 -0.71 2.11 3.57 -1.94 -1.17 116.94 121.67 3mwo h PHE 131 Ca -0.24 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 3mwo h PHE 131 Cb 1.25 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 3mwo h PHE 131 CO 0.69 0.60 0.39 0.78 -2.23 0.00 0.00 178.31 178.54 3mwo h GLY 132 N 0.80 1.04 1.50 2.40 0.00 -1.97 -1.60 103.07 105.24 3mwo h GLY 132 Ca 0.21 -0.46 -0.24 0.00 0.00 0.00 0.00 47.33 46.84 3mwo h GLY 132 CO -0.03 0.44 -0.99 0.50 0.00 0.00 0.00 176.54 176.46 3mwo h LYS 133 N 0.98 0.44 -0.92 4.80 1.79 -1.79 -3.32 116.57 118.55 3mwo h LYS 133 Ca 0.25 -0.50 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 3mwo h LYS 133 Cb 0.02 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 3mwo h LYS 133 CO -0.04 1.15 0.52 0.00 -1.08 0.00 0.00 179.45 180.00 3mwo h ALA 134 N 0.67 1.18 0.00 3.86 0.00 -0.52 -2.11 119.26 122.34 3mwo h ALA 134 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3mwo h ALA 134 Cb 1.63 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3mwo h ALA 134 CO 0.17 0.67 0.00 1.33 0.00 0.00 0.00 179.25 181.42 3mwo n VAL 135 N -4.34 1.11 1.39 0.00 0.24 -0.67 -1.35 118.33 114.72 3mwo n VAL 135 Ca 0.10 0.28 0.11 0.00 -2.04 0.00 0.00 64.34 62.79 3mwo n VAL 135 Cb 0.08 -1.08 0.43 0.00 -1.47 0.00 0.00 33.84 31.80 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 -1.56 1.59 -4.61 7.34 6.02 -0.79 -4.67 117.38 120.70 3mwo n GLN 136 Ca 0.03 -0.89 -0.29 0.00 -0.01 0.00 0.00 57.00 55.84 3mwo n GLN 136 Cb 0.15 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.85 1.56 0.52 -1.09 -1.52 -0.46 -5.03 119.66 111.80 3mwo s GLN 137 Ca 0.32 -1.24 0.30 0.00 -1.95 0.00 0.00 55.36 52.79 3mwo s GLN 137 Cb 0.17 -1.92 1.39 0.00 -0.22 0.00 0.00 33.01 32.44 3mwo s GLN 137 CO 0.26 0.47 2.01 -1.35 -0.25 0.00 0.00 175.29 176.44 3mwo h PRO 138 N 4.28 0.00 -0.54 2.91 0.11 -1.85 -2.19 132.00 134.72 3mwo h PRO 138 Ca -0.49 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.25 3mwo h PRO 138 Cb 1.16 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 3mwo h PRO 138 CO 0.41 0.10 -0.40 -0.40 -0.21 0.00 0.00 178.00 177.51 3mwo n ASP 139 N -3.36 4.04 0.06 -2.05 5.75 -1.26 -4.12 116.55 115.60 3mwo n ASP 139 Ca -0.01 -3.80 -0.13 0.00 -0.01 0.00 0.00 54.79 50.84 3mwo n ASP 139 Cb 0.29 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 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 1.66 0.50 -3.51 6.12 0.00 -1.08 -3.43 103.07 103.33 3mwo h GLY 140 Ca 0.29 -0.83 -0.58 0.00 0.00 0.00 0.00 47.33 46.21 3mwo h GLY 140 CO 0.62 0.74 -0.81 1.08 0.00 0.00 0.00 176.54 178.17 3mwo s LEU 141 N -7.85 2.40 -0.11 3.11 1.43 0.22 -0.49 118.68 117.38 3mwo s LEU 141 Ca -0.06 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3mwo s LEU 141 Cb 0.09 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.37 3mwo s LEU 141 CO 0.87 0.04 -0.11 0.00 0.23 0.00 0.00 176.35 177.38 3mwo s ALA 142 N -1.68 1.50 -0.20 4.21 0.00 0.05 -0.84 121.76 124.80 3mwo s ALA 142 Ca 0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 3mwo s ALA 142 Cb -0.08 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 3mwo s ALA 142 CO 0.07 -0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.58 3mwo s VAL 143 N 1.32 3.07 -0.33 0.00 1.01 -0.84 -1.19 120.40 123.44 3mwo s VAL 143 Ca -0.01 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 3mwo s VAL 143 Cb -0.14 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 3mwo s VAL 143 CO -0.05 0.46 0.67 -0.22 0.00 0.00 0.00 175.10 175.96 3mwo s LEU 144 N 1.24 4.17 -0.14 3.92 2.96 -0.41 -1.34 118.68 129.09 3mwo s LEU 144 Ca 0.03 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3mwo s LEU 144 Cb -0.14 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3mwo s LEU 144 CO -0.04 -0.57 0.01 -0.83 -1.32 0.00 0.00 176.35 173.61 3mwo s GLY 145 N 1.71 1.83 -0.05 7.98 0.00 0.53 -1.01 107.32 118.31 3mwo s GLY 145 Ca 0.27 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3mwo s GLY 145 CO 0.14 -0.20 -0.05 -0.42 0.00 0.00 0.00 173.10 172.57 3mwo s ILE 146 N -0.06 0.62 0.35 0.90 1.01 -0.06 -1.00 121.20 122.96 3mwo s ILE 146 Ca 0.04 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 3mwo s ILE 146 Cb -0.13 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 3mwo s ILE 146 CO 0.02 0.25 0.92 -0.36 0.00 0.00 0.00 174.94 175.77 3mwo s PHE 147 N 1.03 3.55 -0.13 3.97 0.08 -1.26 -0.48 117.98 124.73 3mwo s PHE 147 Ca -0.09 1.67 0.01 0.00 0.12 0.00 0.00 56.93 58.64 3mwo s PHE 147 Cb -0.14 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 3mwo s PHE 147 CO -0.00 0.11 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.55 3mwo s LEU 148 N -2.47 2.53 0.24 -0.37 1.02 -0.33 -0.79 118.68 118.51 3mwo s LEU 148 Ca 0.54 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 54.38 3mwo s LEU 148 Cb -0.15 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 3mwo s LEU 148 CO 0.20 0.15 -0.05 -1.59 0.02 0.00 0.00 176.35 175.07 3mwo s LYS 149 N 0.45 2.16 -0.21 1.70 -2.85 -0.41 -2.00 119.74 118.58 3mwo s LYS 149 Ca -0.11 -1.40 -0.17 0.00 -1.00 0.00 0.00 55.97 53.29 3mwo s LYS 149 Cb -0.16 -2.13 -0.04 0.00 -2.06 0.00 0.00 37.83 33.45 3mwo s LYS 149 CO 0.05 0.39 0.44 0.08 0.10 0.00 0.00 175.35 176.41 3mwo s VAL 150 N -2.13 5.15 0.00 1.79 1.01 -1.26 -0.84 120.40 124.13 3mwo s VAL 150 Ca 0.29 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.06 3mwo s VAL 150 Cb -0.07 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3mwo s VAL 150 CO 0.18 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3mwo n GLY 151 N 4.03 0.64 3.77 4.51 0.00 0.48 -4.91 105.19 113.70 3mwo n GLY 151 Ca -0.07 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 5.55 0.58 1.61 1.04 -1.26 -4.00 113.70 119.23 3mwo s SER 152 Ca 0.00 2.23 -0.19 0.00 0.48 0.00 0.00 55.95 58.47 3mwo s SER 152 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3mwo s SER 152 CO 0.00 -1.34 1.19 0.00 0.98 0.00 0.00 173.24 174.08 3mwo s ALA 153 N -1.75 2.58 -0.48 5.32 0.00 -1.26 -2.41 121.76 123.75 3mwo s ALA 153 Ca 0.74 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 3mwo s ALA 153 Cb -0.25 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.50 3mwo s ALA 153 CO 0.29 -1.08 0.47 0.21 0.00 0.00 0.00 175.76 175.65 3mwo s LYS 154 N -3.32 3.03 0.35 0.00 2.47 -1.18 -4.80 119.74 116.28 3mwo s LYS 154 Ca 0.76 -1.18 0.06 0.00 -1.56 0.00 0.00 55.97 54.05 3mwo s LYS 154 Cb -0.29 -4.11 0.73 0.00 -1.46 0.00 0.00 37.83 32.70 3mwo s LYS 154 CO 0.32 -1.08 1.91 -1.35 0.16 0.00 0.00 175.35 175.30 3mwo h PRO 155 N 8.83 0.76 0.00 4.03 0.11 -1.91 -1.31 132.00 142.52 3mwo h PRO 155 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3mwo h PRO 155 Cb 1.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3mwo h PRO 155 CO 0.90 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 179.60 3mwo n GLY 156 N -1.43 -1.13 0.09 -0.55 0.00 -1.26 -2.13 105.19 98.78 3mwo n GLY 156 Ca 0.14 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.14 0.99 5.85 -1.45 -3.40 115.31 116.16 3mwo h LEU 157 Ca 0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3mwo h LEU 157 Cb 0.32 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3mwo h LEU 157 CO 0.00 0.07 0.46 -0.61 -0.34 0.00 0.00 178.44 178.02 3mwo h GLN 158 N 0.00 1.05 -0.15 1.25 5.75 -1.47 -1.45 115.11 120.09 3mwo h GLN 158 Ca 0.00 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 3mwo h GLN 158 Cb 0.84 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3mwo h GLN 158 CO 0.00 0.74 -0.00 0.87 -2.65 0.00 0.00 178.83 177.79 3mwo h LYS 159 N 1.07 0.22 -0.07 1.69 1.57 -1.79 -0.57 116.57 118.69 3mwo h LYS 159 Ca 0.28 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3mwo h LYS 159 Cb -0.03 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3mwo h LYS 159 CO -0.05 0.24 -0.07 0.28 -0.57 0.00 0.00 179.45 179.29 3mwo h VAL 160 N 0.22 1.37 -0.82 0.50 2.07 -1.57 -3.14 116.25 114.88 3mwo h VAL 160 Ca 0.05 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.45 3mwo h VAL 160 Cb 0.16 2.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 3mwo h VAL 160 CO 0.00 0.34 0.46 0.58 0.02 0.00 0.00 177.57 178.97 3mwo h VAL 161 N -0.27 0.88 0.00 2.57 2.07 -0.83 -2.55 116.25 118.13 3mwo h VAL 161 Ca 0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3mwo h VAL 161 Cb 0.58 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3mwo h VAL 161 CO 0.02 0.14 -0.06 0.44 0.02 0.00 0.00 177.57 178.12 3mwo h ASP 162 N 0.75 0.00 0.73 0.57 3.32 -1.13 -2.73 116.42 117.93 3mwo h ASP 162 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3mwo h ASP 162 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3mwo h ASP 162 CO -0.26 0.06 -0.43 0.55 -1.72 0.00 0.00 179.24 177.44 3mwo n VAL 163 N -3.15 0.12 0.26 -1.35 3.14 -0.97 -4.27 118.33 112.12 3mwo n VAL 163 Ca 0.02 -0.09 0.10 0.00 -2.96 0.00 0.00 64.34 61.41 3mwo n VAL 163 Cb 0.42 -0.02 0.71 0.00 -1.06 0.00 0.00 33.84 33.88 3mwo n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3mwo h LEU 164 N 0.00 0.00 -2.35 6.55 3.38 -1.43 -1.37 115.31 120.09 3mwo h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3mwo h LEU 164 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mwo h LEU 164 CO 0.00 0.06 -0.03 0.44 0.09 0.00 0.00 178.44 178.99 3mwo h ASP 165 N 0.00 0.00 0.17 -0.43 3.32 -1.79 -2.00 116.42 115.70 3mwo h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mwo h ASP 165 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3mwo h ASP 165 CO 0.01 0.03 -0.29 -1.54 -1.72 0.00 0.00 179.24 175.73 3mwo n SER 166 N -3.32 1.27 -2.55 6.45 3.41 -0.52 -4.10 113.62 114.25 3mwo n SER 166 Ca -0.02 -1.06 -0.14 0.00 -0.26 0.00 0.00 58.87 57.39 3mwo n SER 166 Cb 0.16 0.20 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.46 1.65 -0.23 -1.33 -5.35 -0.76 -4.74 119.36 108.13 3mwo n ILE 167 Ca 0.12 -3.69 -0.00 0.00 -0.27 0.00 0.00 62.75 58.91 3mwo n ILE 167 Cb 0.37 0.03 0.22 0.00 -1.74 0.00 0.00 39.64 38.52 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 2.68 1.03 -6.37 6.28 3.64 -1.70 -3.42 116.57 118.71 3mwo h LYS 168 Ca 0.07 -0.08 -0.62 0.00 -1.27 0.00 0.00 60.65 58.75 3mwo h LYS 168 Cb 1.19 -0.22 -0.15 0.00 -0.41 0.00 0.00 32.23 32.64 3mwo h LYS 168 CO 0.56 0.70 -0.76 0.95 -2.27 0.00 0.00 179.45 178.64 3mwo s THR 169 N -5.83 2.68 0.11 1.00 -4.23 -1.26 -0.58 115.64 107.53 3mwo s THR 169 Ca -0.11 -2.11 -0.36 0.00 -1.18 0.00 0.00 61.69 57.93 3mwo s THR 169 Cb 0.18 -2.36 -0.15 0.00 1.34 0.00 0.00 72.50 71.50 3mwo s THR 169 CO 0.79 -0.26 1.46 1.17 -0.54 0.00 0.00 174.62 177.23 3mwo n LYS 170 N -0.28 1.59 0.00 3.99 4.81 -0.19 -2.03 118.16 126.05 3mwo n LYS 170 Ca -0.08 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3mwo n LYS 170 Cb 0.58 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.35 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 2.97 1.83 3.74 3.14 0.00 0.54 -4.53 105.19 112.87 3mwo n GLY 171 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.87 4.80 0.16 1.61 -0.14 -0.86 -4.90 119.74 119.54 3mwo s LYS 172 Ca 0.00 1.47 0.03 0.00 -1.36 0.00 0.00 55.97 56.11 3mwo s LYS 172 Cb 0.00 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.79 3mwo s LYS 172 CO 0.00 0.41 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.42 3mwo s SER 173 N -0.77 1.46 -0.03 2.83 1.04 -1.26 -1.27 113.70 115.70 3mwo s SER 173 Ca 0.43 -1.10 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 3mwo s SER 173 Cb -0.25 0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.94 3mwo s SER 173 CO 0.31 -0.47 0.18 0.00 0.98 0.00 0.00 173.24 174.24 3mwo s ALA 174 N -3.52 -0.45 0.37 5.32 0.00 -0.30 -4.93 121.76 118.24 3mwo s ALA 174 Ca 0.20 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.08 3mwo s ALA 174 Cb 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 22.99 3mwo s ALA 174 CO 0.02 -0.17 1.40 -0.25 0.00 0.00 0.00 175.76 176.76 3mwo n ASP 175 N 2.02 3.32 -2.94 0.00 8.00 -1.26 -1.08 116.55 124.60 3mwo n ASP 175 Ca -0.19 1.21 -0.11 0.00 0.71 0.00 0.00 54.79 56.42 3mwo n ASP 175 Cb 0.57 -1.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.09 3mwo n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3mwo n PHE 176 N 0.35 -2.94 -3.88 1.24 7.35 -0.35 -4.72 117.46 114.50 3mwo n PHE 176 Ca 0.03 -1.97 -0.23 0.00 -0.76 0.00 0.00 57.45 54.53 3mwo n PHE 176 Cb 0.38 1.12 -0.02 0.00 0.35 0.00 0.00 39.48 41.30 3mwo n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3mwo s THR 177 N 0.59 5.25 -1.63 -2.13 -4.23 -1.26 -2.86 115.64 109.37 3mwo s THR 177 Ca 0.31 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3mwo s THR 177 Cb 0.03 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.04 3mwo s THR 177 CO -0.10 -0.30 0.00 0.59 -0.54 0.00 0.00 174.62 174.26 3mwo n ASN 178 N -1.24 -4.92 -4.71 3.99 3.02 -1.25 -4.95 115.26 105.20 3mwo n ASN 178 Ca -0.08 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 3mwo n ASN 178 Cb 0.56 -3.89 -0.04 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.66 3.61 -0.44 3.10 5.36 -1.26 -4.99 117.98 120.71 3mwo s PHE 179 Ca 0.00 1.48 -0.14 0.00 -0.96 0.00 0.00 56.93 57.31 3mwo s PHE 179 Cb 0.00 -2.97 0.05 0.00 -0.34 0.00 0.00 43.02 39.76 3mwo s PHE 179 CO 0.00 0.03 0.33 0.34 -1.46 0.00 0.00 175.22 174.45 3mwo s ASP 180 N 0.91 6.00 0.00 6.13 -1.08 -1.26 -4.43 116.67 122.95 3mwo s ASP 180 Ca 0.45 -1.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.42 3mwo s ASP 180 Cb -0.19 -2.13 0.61 0.00 -1.46 0.00 0.00 42.92 39.75 3mwo s ASP 180 CO 0.23 -0.55 1.45 -0.81 0.52 0.00 0.00 175.17 176.01 3mwo n PRO 181 N 5.12 0.01 0.30 4.34 -0.04 -1.26 -2.16 135.00 141.32 3mwo n PRO 181 Ca -0.12 0.25 0.16 0.00 -0.04 0.00 0.00 63.50 63.76 3mwo n PRO 181 Cb 0.45 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.34 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 -1.42 114.38 114.66 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3mwo h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3mwo n GLY 183 N -1.10 -0.70 0.63 0.04 0.00 -0.92 -2.71 105.19 100.42 3mwo n GLY 183 Ca -0.03 -0.13 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 -1.03 2.48 -4.84 0.99 4.77 -0.53 -4.08 117.00 114.74 3mwo n LEU 184 Ca 0.15 -1.34 -0.37 0.00 -0.03 0.00 0.00 56.01 54.42 3mwo n LEU 184 Cb 0.08 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3mwo n LEU 184 CO 0.12 0.53 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.83 3mwo s LEU 185 N -1.09 4.37 0.94 2.23 1.43 -1.10 -4.92 118.68 120.54 3mwo s LEU 185 Ca 0.20 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.69 3mwo s LEU 185 Cb 0.12 -2.17 0.16 0.00 0.03 0.00 0.00 46.19 44.33 3mwo s LEU 185 CO 0.18 0.35 1.13 -2.16 0.23 0.00 0.00 176.35 176.08 3mwo s PRO 186 N -0.75 0.86 0.09 1.29 0.04 -1.26 -4.97 135.00 130.30 3mwo s PRO 186 Ca 0.15 0.30 -0.23 0.00 0.04 0.00 0.00 61.00 61.26 3mwo s PRO 186 Cb -0.13 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 3mwo s PRO 186 CO 0.05 -2.39 1.72 0.93 0.04 0.00 0.00 177.00 177.35 3mwo h GLU 187 N -1.64 -0.08 -6.26 4.56 5.08 -1.93 -3.43 114.58 110.88 3mwo h GLU 187 Ca -0.51 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 3mwo h GLU 187 Cb 1.33 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 3mwo h GLU 187 CO 0.59 -0.06 -0.05 0.45 -1.00 0.00 0.00 179.01 178.95 3mwo s SER 188 N -5.12 6.98 -0.22 1.42 0.15 -1.26 -4.98 113.70 110.68 3mwo s SER 188 Ca -0.14 1.20 0.15 0.00 0.70 0.00 0.00 55.95 57.86 3mwo s SER 188 Cb 0.06 -2.33 0.72 0.00 -1.71 0.00 0.00 66.02 62.76 3mwo s SER 188 CO 0.66 0.22 1.63 0.18 1.20 0.00 0.00 173.24 177.13 3mwo n LEU 189 N 1.40 5.07 -4.76 3.45 4.77 -1.26 -4.72 117.00 120.95 3mwo n LEU 189 Ca -0.09 -2.97 -0.41 0.00 -0.03 0.00 0.00 56.01 52.51 3mwo n LEU 189 Cb 0.51 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3mwo n LEU 189 CO 0.41 0.65 1.16 0.47 -1.33 0.00 0.00 177.39 178.75 3mwo n ASP 190 N 0.19 3.76 -3.89 -1.43 8.00 -1.26 -4.75 116.55 117.17 3mwo n ASP 190 Ca 0.26 1.20 -0.09 0.00 0.71 0.00 0.00 54.79 56.87 3mwo n ASP 190 Cb 1.09 -1.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 3mwo n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mwo s TYR 191 N -0.78 0.25 0.09 1.24 -0.85 -1.26 -1.42 117.35 114.61 3mwo s TYR 191 Ca 0.57 -0.64 0.04 0.00 -0.52 0.00 0.00 57.07 56.51 3mwo s TYR 191 Cb -0.49 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.77 3mwo s TYR 191 CO 0.59 -0.63 0.05 -1.58 -1.52 0.00 0.00 175.55 172.46 3mwo s TRP 192 N -3.91 3.10 -0.00 -3.49 0.51 0.16 -1.04 118.94 114.27 3mwo s TRP 192 Ca 0.10 0.02 -0.02 0.00 -2.12 0.00 0.00 56.10 54.08 3mwo s TRP 192 Cb 0.04 -1.57 -0.00 0.00 -0.81 0.00 0.00 33.47 31.12 3mwo s TRP 192 CO -0.06 0.50 0.04 -0.08 -0.51 0.00 0.00 176.95 176.85 3mwo s THR 193 N -1.39 0.05 0.10 2.01 -1.32 0.18 -0.50 115.64 114.77 3mwo s THR 193 Ca 0.28 -0.41 -0.25 0.00 -1.21 0.00 0.00 61.69 60.09 3mwo s THR 193 Cb -0.12 -0.21 0.08 0.00 -1.51 0.00 0.00 72.50 70.74 3mwo s THR 193 CO 0.21 -0.23 0.67 -0.72 -2.21 0.00 0.00 174.62 172.34 3mwo s TYR 194 N -0.70 -0.51 -0.05 9.09 1.13 -1.01 -1.44 117.35 123.86 3mwo s TYR 194 Ca -0.08 0.40 -0.25 0.00 -1.41 0.00 0.00 57.07 55.73 3mwo s TYR 194 Cb -0.05 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 3mwo s TYR 194 CO -0.00 -0.76 0.78 -1.25 -2.51 0.00 0.00 175.55 171.81 3mwo s PRO 195 N -3.30 4.47 0.00 -3.49 0.04 -1.26 -1.39 135.00 130.07 3mwo s PRO 195 Ca 0.00 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3mwo s PRO 195 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3mwo s PRO 195 CO -0.09 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.38 3mwo n GLY 196 N 3.06 4.38 3.24 0.56 0.00 0.41 -4.81 105.19 112.03 3mwo n GLY 196 Ca 0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 1.62 0.67 0.51 1.61 1.04 -1.12 -2.23 113.70 115.79 3mwo s SER 197 Ca 0.00 -1.34 -0.23 0.00 0.48 0.00 0.00 55.95 54.86 3mwo s SER 197 Cb 0.00 0.26 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 3mwo s SER 197 CO 0.00 -0.76 1.33 0.18 0.98 0.00 0.00 173.24 174.98 3mwo n LEU 198 N -0.32 5.05 -0.87 2.42 4.77 -0.36 -4.51 117.00 123.20 3mwo n LEU 198 Ca -0.01 1.02 0.12 0.00 -0.03 0.00 0.00 56.01 57.12 3mwo n LEU 198 Cb 0.65 -1.56 0.25 0.00 -2.33 0.00 0.00 43.42 40.44 3mwo n LEU 198 CO 0.34 -0.59 0.72 0.35 -1.33 0.00 0.00 177.39 176.88 3mwo n THR 199 N -0.76 0.17 -4.35 -5.08 -2.24 -1.26 -4.41 114.28 96.34 3mwo n THR 199 Ca 0.09 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 3mwo n THR 199 Cb 0.43 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.83 2.05 0.20 4.28 -4.23 -1.26 -4.72 115.64 110.13 3mwo s THR 200 Ca 0.33 -1.73 -0.31 0.00 -1.18 0.00 0.00 61.69 58.80 3mwo s THR 200 Cb 0.21 -1.85 -0.16 0.00 1.34 0.00 0.00 72.50 72.04 3mwo s THR 200 CO 0.31 -0.02 0.99 -2.65 -0.54 0.00 0.00 174.62 172.71 3mwo n PRO 201 N 0.84 0.95 -0.04 3.99 -0.02 -1.26 -0.58 135.00 138.87 3mwo n PRO 201 Ca -0.17 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 3mwo n PRO 201 Cb 0.54 -1.70 0.24 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.27 1.24 -2.34 0.52 -0.04 -1.26 -5.00 135.00 129.39 3mwo n PRO 202 Ca 0.14 -0.37 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 3mwo n PRO 202 Cb 0.26 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.30 -1.88 -4.77 1.53 4.77 0.25 -4.90 117.00 111.70 3mwo n LEU 203 Ca 0.08 0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 3mwo n LEU 203 Cb 0.11 -2.81 -0.01 0.00 -2.33 0.00 0.00 43.42 38.38 3mwo n LEU 203 CO 0.06 -0.25 0.99 -0.76 -1.33 0.00 0.00 177.39 176.10 3mwo s LEU 204 N -5.64 4.32 -1.32 2.23 1.43 -1.26 -4.43 118.68 114.02 3mwo s LEU 204 Ca 0.00 2.71 -0.10 0.00 -1.03 0.00 0.00 54.13 55.72 3mwo s LEU 204 Cb 0.00 -3.76 0.14 0.00 0.03 0.00 0.00 46.19 42.60 3mwo s LEU 204 CO 0.00 -0.71 2.00 -0.62 0.23 0.00 0.00 176.35 177.25 3mwo n GLU 205 N 0.47 3.60 -0.01 1.70 1.02 -1.26 -1.22 120.64 124.95 3mwo n GLU 205 Ca 0.02 -3.36 0.00 0.00 -0.02 0.00 0.00 57.16 53.80 3mwo n GLU 205 Cb 0.42 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 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 -0.54 3.40 -0.40 0.00 1.01 -0.95 -0.61 120.40 122.31 3mwo s VAL 207 Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3mwo s VAL 207 Cb 0.00 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3mwo s VAL 207 CO 0.00 0.50 0.70 -0.89 0.00 0.00 0.00 175.10 175.41 3mwo s THR 208 N 0.47 4.79 0.02 3.92 2.01 -0.02 -0.44 115.64 126.39 3mwo s THR 208 Ca -0.07 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.17 3mwo s THR 208 Cb -0.15 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 3mwo s THR 208 CO 0.04 -0.49 0.76 0.26 -0.69 0.00 0.00 174.62 174.49 3mwo s TRP 209 N 2.93 3.70 -0.25 4.92 0.52 -0.48 -1.98 118.94 128.30 3mwo s TRP 209 Ca 0.26 1.43 -0.00 0.00 0.02 0.00 0.00 56.10 57.81 3mwo s TRP 209 Cb -0.14 -2.82 0.07 0.00 -1.15 0.00 0.00 33.47 29.43 3mwo s TRP 209 CO 0.18 0.23 0.01 0.42 0.02 0.00 0.00 176.95 177.80 3mwo s ILE 210 N 0.15 1.24 -0.24 2.03 1.01 -0.45 -2.41 121.20 122.53 3mwo s ILE 210 Ca 0.39 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 3mwo s ILE 210 Cb -0.20 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3mwo s ILE 210 CO 0.22 -0.29 -0.01 -0.69 0.00 0.00 0.00 174.94 174.17 3mwo s VAL 211 N 1.50 3.46 0.28 2.92 1.01 0.35 -0.35 120.40 129.56 3mwo s VAL 211 Ca -0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3mwo s VAL 211 Cb -0.18 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 3mwo s VAL 211 CO -0.11 0.31 1.19 -0.76 0.00 0.00 0.00 175.10 175.74 3mwo s LEU 212 N 1.47 4.49 0.20 3.92 1.43 -0.17 -0.66 118.68 129.35 3mwo s LEU 212 Ca 0.04 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.54 3mwo s LEU 212 Cb -0.15 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.57 3mwo s LEU 212 CO -0.02 -0.32 1.50 0.50 0.23 0.00 0.00 176.35 178.24 3mwo h LYS 213 N 3.95 0.43 -5.61 1.70 3.64 -1.58 -3.42 116.57 115.69 3mwo h LYS 213 Ca -0.47 -0.30 -0.61 0.00 -1.27 0.00 0.00 60.65 58.00 3mwo h LYS 213 Cb 1.22 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 3mwo h LYS 213 CO 0.68 0.91 0.26 -2.00 -2.27 0.00 0.00 179.45 177.03 3mwo s GLU 214 N -3.84 4.06 0.73 1.90 2.12 -1.26 -5.01 118.70 117.40 3mwo s GLU 214 Ca -0.06 0.58 -0.11 0.00 0.36 0.00 0.00 54.97 55.74 3mwo s GLU 214 Cb 0.11 -3.68 0.03 0.00 0.26 0.00 0.00 34.13 30.85 3mwo s GLU 214 CO 0.83 -0.51 1.07 -1.25 -0.54 0.00 0.00 175.26 174.86 3mwo s PRO 215 N 2.67 2.65 0.12 4.30 0.04 -1.26 -4.63 135.00 138.88 3mwo s PRO 215 Ca 0.29 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3mwo s PRO 215 Cb -0.15 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3mwo s PRO 215 CO 0.10 -1.30 0.28 0.96 0.04 0.00 0.00 177.00 177.08 3mwo s ILE 216 N -3.04 5.31 -0.09 0.56 -4.36 0.03 -4.87 121.20 114.74 3mwo s ILE 216 Ca 0.59 -0.43 -0.12 0.00 -0.26 0.00 0.00 60.65 60.43 3mwo s ILE 216 Cb -0.15 -3.68 -0.05 0.00 1.25 0.00 0.00 42.46 39.83 3mwo s ILE 216 CO 0.55 0.00 0.29 -0.55 0.24 0.00 0.00 174.94 175.47 3mwo s SER 217 N -2.84 6.55 0.21 4.36 0.15 -1.26 -1.28 113.70 119.59 3mwo s SER 217 Ca 0.36 0.65 0.08 0.00 0.70 0.00 0.00 55.95 57.74 3mwo s SER 217 Cb -0.12 -2.17 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 3mwo s SER 217 CO 0.28 0.26 -0.13 0.68 1.20 0.00 0.00 173.24 175.53 3mwo s VAL 218 N -0.46 1.71 0.48 4.45 -7.23 -0.02 -3.13 120.40 116.20 3mwo s VAL 218 Ca 0.18 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 3mwo s VAL 218 Cb -0.14 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 3mwo s VAL 218 CO 0.07 -0.57 0.78 -0.94 -0.31 0.00 0.00 175.10 174.14 3mwo s SER 219 N -3.33 6.22 0.31 4.85 1.04 -1.17 -0.39 113.70 121.23 3mwo s SER 219 Ca 0.23 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.58 3mwo s SER 219 Cb -0.00 -2.19 0.64 0.00 0.10 0.00 0.00 66.02 64.56 3mwo s SER 219 CO 0.07 -0.60 1.85 -1.28 0.98 0.00 0.00 173.24 174.27 3mwo h SER 220 N 0.23 0.84 -0.28 7.02 0.87 -1.92 -1.54 113.55 118.77 3mwo h SER 220 Ca -0.47 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.05 3mwo h SER 220 Cb 1.21 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 3mwo h SER 220 CO 0.61 0.45 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.94 3mwo h GLU 221 N 0.90 0.68 -0.12 2.24 3.07 -1.95 -0.15 114.58 119.26 3mwo h GLU 221 Ca 0.47 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 3mwo h GLU 221 Cb 0.53 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3mwo h GLU 221 CO -0.24 0.76 0.00 1.96 -1.40 0.00 0.00 179.01 180.10 3mwo h GLN 222 N 0.62 0.20 -0.01 2.33 4.20 -1.68 -2.67 115.11 118.11 3mwo h GLN 222 Ca 0.11 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 3mwo h GLN 222 Cb 0.53 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3mwo h GLN 222 CO 0.03 0.44 -0.57 -0.24 -0.67 0.00 0.00 178.83 177.82 3mwo h VAL 223 N -0.06 1.41 -0.61 -0.54 3.04 -1.24 -2.59 116.25 115.66 3mwo h VAL 223 Ca 0.03 -1.96 0.05 0.00 -1.01 0.00 0.00 66.70 63.81 3mwo h VAL 223 Cb 0.35 2.05 -0.04 0.00 -2.01 0.00 0.00 31.29 31.64 3mwo h VAL 223 CO 0.01 0.56 0.40 -0.07 -1.01 0.00 0.00 177.57 177.46 3mwo h LEU 224 N 0.02 0.55 -0.70 3.16 3.38 -0.95 -1.46 115.31 119.31 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 1.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3mwo h LEU 224 CO 0.08 0.37 -0.47 0.11 0.09 0.00 0.00 178.44 178.62 3mwo h LYS 225 N 0.64 0.43 -0.97 1.13 1.57 -1.11 -2.45 116.57 115.81 3mwo h LYS 225 Ca 0.26 -0.24 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3mwo h LYS 225 Cb 0.21 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 3mwo h LYS 225 CO -0.07 0.81 0.61 0.74 -0.57 0.00 0.00 179.45 180.96 3mwo h PHE 226 N 0.34 1.12 0.00 -1.35 -1.00 -1.15 -2.53 116.94 112.37 3mwo h PHE 226 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3mwo h PHE 226 Cb 0.96 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 40.16 3mwo h PHE 226 CO 0.03 0.51 0.00 0.54 -1.61 0.00 0.00 178.31 177.78 3mwo n ARG 227 N -4.59 0.48 0.02 1.51 1.74 -0.90 -2.33 116.66 112.59 3mwo n ARG 227 Ca 0.16 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 3mwo n ARG 227 Cb 0.26 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.18 0.08 -0.86 5.56 5.02 -0.95 -4.54 118.16 121.29 3mwo n LYS 228 Ca 0.13 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 3mwo n LYS 228 Cb 0.14 -1.55 0.17 0.00 -0.02 0.00 0.00 35.03 33.78 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 -3.34 2.15 0.02 -0.35 1.43 -0.98 -4.87 118.68 112.74 3mwo s LEU 229 Ca 0.10 1.77 0.09 0.00 -1.03 0.00 0.00 54.13 55.05 3mwo s LEU 229 Cb 0.16 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 3mwo s LEU 229 CO 0.70 -3.16 -0.26 0.20 0.23 0.00 0.00 176.35 174.06 3mwo s ASN 230 N -2.92 3.03 0.15 2.29 0.02 0.25 -0.61 114.94 117.15 3mwo s ASN 230 Ca 0.66 -0.54 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 3mwo s ASN 230 Cb -0.21 -0.30 -0.03 0.00 0.02 0.00 0.00 41.25 40.73 3mwo s ASN 230 CO 0.59 0.27 1.36 -0.26 0.02 0.00 0.00 177.10 179.08 3mwo h PHE 231 N 5.06 0.40 -4.34 2.20 0.04 -1.38 -3.36 116.94 115.57 3mwo h PHE 231 Ca -0.45 -0.22 -0.50 0.00 2.80 0.00 0.00 57.97 59.60 3mwo h PHE 231 Cb 1.14 -0.05 0.09 0.00 2.20 0.00 0.00 35.95 39.33 3mwo h PHE 231 CO 0.45 1.03 0.38 0.54 -0.60 0.00 0.00 178.31 180.10 3mwo s ASN 232 N -6.98 5.34 0.68 2.17 4.22 -1.26 -4.37 114.94 114.74 3mwo s ASN 232 Ca -0.04 1.47 -0.11 0.00 -2.14 0.00 0.00 52.86 52.05 3mwo s ASN 232 Cb 0.10 -2.34 0.00 0.00 1.28 0.00 0.00 41.25 40.29 3mwo s ASN 232 CO 0.84 -1.45 1.06 -0.83 -2.04 0.00 0.00 177.10 174.68 3mwo s GLY 233 N -3.94 1.63 0.25 0.45 0.00 -1.26 -1.02 107.32 103.44 3mwo s GLY 233 Ca 0.58 -0.33 -0.31 0.00 0.00 0.00 0.00 44.72 44.66 3mwo s GLY 233 CO 0.54 0.01 1.47 -2.21 0.00 0.00 0.00 173.10 172.91 3mwo n GLU 234 N -2.91 2.25 -0.86 2.90 2.13 -1.26 -2.01 120.64 120.87 3mwo n GLU 234 Ca 0.06 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3mwo n GLU 234 Cb 0.57 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.78 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 2.20 0.59 3.74 8.31 0.00 -1.26 -5.04 105.19 113.73 3mwo n GLY 235 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.14 2.47 0.29 1.61 2.02 -0.85 -5.08 118.70 119.03 3mwo s GLU 236 Ca 0.00 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.27 3mwo s GLU 236 Cb 0.00 -2.26 -0.12 0.00 0.10 0.00 0.00 34.13 31.85 3mwo s GLU 236 CO 0.00 0.20 1.54 -2.30 0.02 0.00 0.00 175.26 174.73 3mwo n PRO 237 N -1.12 2.57 -2.32 0.39 -0.02 -1.26 -4.88 135.00 128.36 3mwo n PRO 237 Ca -0.04 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 3mwo n PRO 237 Cb 0.60 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.70 4.29 -0.17 -0.52 2.12 -1.26 -4.74 118.70 117.72 3mwo s GLU 238 Ca 0.63 1.83 -0.00 0.00 0.36 0.00 0.00 54.97 57.80 3mwo s GLU 238 Cb -0.52 -3.64 0.04 0.00 0.26 0.00 0.00 34.13 30.27 3mwo s GLU 238 CO 0.51 -0.58 -0.07 -2.00 -0.54 0.00 0.00 175.26 172.57 3mwo s GLU 239 N 2.69 1.66 0.34 4.30 2.56 -1.26 -5.06 118.70 123.93 3mwo s GLU 239 Ca 0.60 -0.58 -0.29 0.00 0.00 0.00 0.00 54.97 54.71 3mwo s GLU 239 Cb -0.28 -2.08 -0.11 0.00 2.00 0.00 0.00 34.13 33.67 3mwo s GLU 239 CO 0.23 -0.40 1.43 -0.51 -0.56 0.00 0.00 175.26 175.45 3mwo s LEU 240 N 1.57 4.37 -1.01 2.70 1.43 -1.26 -1.15 118.68 125.32 3mwo s LEU 240 Ca 0.01 2.87 -0.23 0.00 -1.03 0.00 0.00 54.13 55.75 3mwo s LEU 240 Cb -0.15 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.46 3mwo s LEU 240 CO -0.08 -0.74 1.48 -0.32 0.23 0.00 0.00 176.35 176.91 3mwo s MET 241 N -1.64 3.54 0.04 1.70 -2.45 0.22 -4.58 119.30 116.13 3mwo s MET 241 Ca 0.53 -1.08 -0.03 0.00 -1.25 0.00 0.00 55.69 53.86 3mwo s MET 241 Cb -0.44 -5.35 -0.02 0.00 1.25 0.00 0.00 34.83 30.28 3mwo s MET 241 CO 0.56 -2.27 0.03 0.14 1.05 0.00 0.00 175.02 174.53 3mwo s VAL 242 N 5.23 0.16 -1.34 10.11 -7.23 -1.26 -4.50 120.40 121.56 3mwo s VAL 242 Ca 0.47 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3mwo s VAL 242 Cb -0.00 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.97 3mwo s VAL 242 CO -0.09 -0.71 0.87 0.47 -0.31 0.00 0.00 175.10 175.32 3mwo n ASP 243 N 0.69 -2.67 -2.30 4.85 8.00 -0.19 -4.84 116.55 120.09 3mwo n ASP 243 Ca -0.18 -0.75 -0.26 0.00 0.71 0.00 0.00 54.79 54.31 3mwo n ASP 243 Cb 0.59 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 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 6.75 -4.34 -2.24 6.94 -1.08 -4.90 115.26 113.37 3mwo n ASN 244 Ca -0.19 -3.30 -0.31 0.00 -0.02 0.00 0.00 54.58 50.76 3mwo n ASN 244 Cb 0.63 -1.12 -0.15 0.00 -2.36 0.00 0.00 39.78 36.78 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 -2.27 2.37 0.04 -2.53 1.48 -1.26 -4.62 118.94 112.14 3mwo s TRP 245 Ca 0.49 -0.40 -0.21 0.00 -1.06 0.00 0.00 56.10 54.92 3mwo s TRP 245 Cb 0.36 -1.47 -0.06 0.00 -1.16 0.00 0.00 33.47 31.14 3mwo s TRP 245 CO -0.14 0.05 0.62 0.50 -4.06 0.00 0.00 176.95 173.93 3mwo s ARG 246 N -0.88 4.33 0.88 3.25 3.52 -1.26 -4.96 118.95 123.82 3mwo s ARG 246 Ca 0.11 0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 56.40 3mwo s ARG 246 Cb -0.10 -3.31 0.12 0.00 -1.56 0.00 0.00 34.95 30.10 3mwo s ARG 246 CO 0.01 0.45 1.12 -1.25 -0.81 0.00 0.00 175.30 174.81 3mwo s PRO 247 N -0.51 1.40 0.36 5.12 0.04 -1.26 -4.59 135.00 135.56 3mwo s PRO 247 Ca 0.32 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 3mwo s PRO 247 Cb -0.19 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 3mwo s PRO 247 CO 0.19 -2.05 1.44 0.00 0.04 0.00 0.00 177.00 176.62 3mwo n ALA 248 N -3.69 2.03 -2.65 8.56 0.00 -1.26 -4.35 120.51 119.15 3mwo n ALA 248 Ca 0.07 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 3mwo n ALA 248 Cb 0.58 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.84 2.54 0.32 0.00 -1.52 0.28 -4.93 119.66 114.51 3mwo s GLN 249 Ca 0.55 -1.33 -0.29 0.00 -1.95 0.00 0.00 55.36 52.34 3mwo s GLN 249 Cb -0.51 -2.32 -0.11 0.00 -0.22 0.00 0.00 33.01 29.85 3mwo s GLN 249 CO 0.62 0.28 1.53 -2.14 -0.25 0.00 0.00 175.29 175.33 3mwo s PRO 250 N -3.80 4.14 0.29 2.91 0.02 -1.26 -4.56 135.00 132.72 3mwo s PRO 250 Ca 0.35 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.98 3mwo s PRO 250 Cb -0.06 -3.01 0.43 0.00 0.02 0.00 0.00 34.50 31.88 3mwo s PRO 250 CO 0.23 -0.56 1.68 1.25 -0.33 0.00 0.00 177.00 179.26 3mwo h LEU 251 N 4.08 0.22 0.00 -5.54 5.85 -1.95 -3.43 115.31 114.54 3mwo h LEU 251 Ca -0.49 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3mwo h LEU 251 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3mwo h LEU 251 CO 0.73 0.65 0.00 0.29 -0.34 0.00 0.00 178.44 179.77 3mwo n LYS 252 N -3.99 0.00 -2.21 1.25 5.02 -1.26 -3.09 118.16 113.87 3mwo n LYS 252 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 3mwo n LYS 252 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 1.25 6.91 -4.08 4.39 5.15 -1.26 -4.91 115.26 122.71 3mwo n ASN 253 Ca 0.00 -3.19 -0.13 0.00 -0.60 0.00 0.00 54.58 50.66 3mwo n ASN 253 Cb 0.00 -1.38 -0.11 0.00 -0.53 0.00 0.00 39.78 37.75 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 -0.96 0.57 -0.10 1.20 0.52 -1.18 -5.10 118.95 113.90 3mwo s ARG 254 Ca 0.47 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3mwo s ARG 254 Cb 0.15 -0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 3mwo s ARG 254 CO -0.05 0.06 -0.17 -0.65 0.02 0.00 0.00 175.30 174.51 3mwo s GLN 255 N -1.68 3.06 -0.11 3.54 -0.21 -1.26 -5.04 119.66 117.96 3mwo s GLN 255 Ca -0.08 -0.75 -0.19 0.00 0.02 0.00 0.00 55.36 54.35 3mwo s GLN 255 Cb -0.09 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3mwo s GLN 255 CO 0.00 0.30 0.53 0.42 -2.12 0.00 0.00 175.29 174.42 3mwo s ILE 256 N 0.10 5.15 0.02 1.08 1.01 -1.26 -4.69 121.20 122.61 3mwo s ILE 256 Ca -0.08 1.06 0.01 0.00 0.00 0.00 0.00 60.65 61.64 3mwo s ILE 256 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3mwo s ILE 256 CO 0.05 0.31 0.05 -0.54 0.00 0.00 0.00 174.94 174.82 3mwo s LYS 257 N 0.64 2.92 -0.01 2.79 1.02 -0.52 -1.65 119.74 124.94 3mwo s LYS 257 Ca 0.28 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.73 3mwo s LYS 257 Cb -0.16 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3mwo s LYS 257 CO 0.12 0.62 -0.10 0.00 -0.92 0.00 0.00 175.35 175.07 3mwo s ALA 258 N -1.21 2.87 -2.21 5.17 0.00 0.33 -0.64 121.76 126.05 3mwo s ALA 258 Ca 0.23 -1.03 0.28 0.00 0.00 0.00 0.00 51.96 51.44 3mwo s ALA 258 Cb -0.12 -1.03 1.08 0.00 0.00 0.00 0.00 23.12 23.05 3mwo s ALA 258 CO 0.15 0.59 1.76 -1.13 0.00 0.00 0.00 175.76 177.13 3mwo n SER 259 N 1.76 1.16 -4.03 0.00 3.41 -0.20 -1.14 113.62 114.59 3mwo n SER 259 Ca -0.16 -1.23 -0.08 0.00 -0.26 0.00 0.00 58.87 57.14 3mwo n SER 259 Cb 0.52 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.15 0.40 -0.84 7.33 -0.71 -1.26 -4.89 117.98 115.86 3mwo s PHE 260 Ca 0.35 -0.85 0.07 0.00 -1.04 0.00 0.00 56.93 55.46 3mwo s PHE 260 Cb 0.21 -0.29 0.05 0.00 -1.21 0.00 0.00 43.02 41.78 3mwo s PHE 260 CO 0.39 -0.36 0.71 0.36 -1.34 0.00 0.00 175.22 174.99