#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlw s VAL 2 N 0.00 2.61 -0.09 -0.39 1.01 -1.26 -4.51 120.40 117.78 3mlw s VAL 2 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 3mlw s VAL 2 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.11 3mlw s VAL 2 CO 0.00 0.06 0.21 -1.58 0.00 0.00 0.00 175.10 173.79 3mlw s GLN 3 N 0.15 0.19 -0.23 2.72 0.74 -1.00 -5.02 119.66 117.21 3mlw s GLN 3 Ca 0.63 0.42 0.02 0.00 0.05 0.00 0.00 55.36 56.48 3mlw s GLN 3 Cb -0.43 -0.06 0.05 0.00 1.10 0.00 0.00 33.01 33.67 3mlw s GLN 3 CO 0.39 -0.12 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.38 3mlw s LEU 4 N 0.89 2.93 -0.15 3.68 1.43 -1.26 -1.75 118.68 124.44 3mlw s LEU 4 Ca -0.06 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 3mlw s LEU 4 Cb -0.08 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.70 3mlw s LEU 4 CO -0.05 -0.15 -0.17 0.54 0.23 0.00 0.00 176.35 176.75 3mlw s VAL 5 N 1.21 1.76 0.58 -1.59 0.11 -0.92 -4.21 120.40 117.34 3mlw s VAL 5 Ca -0.05 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 3mlw s VAL 5 Cb -0.18 -1.62 0.06 0.00 -1.53 0.00 0.00 36.38 33.12 3mlw s VAL 5 CO -0.07 0.49 0.80 -1.10 -3.33 0.00 0.00 175.10 171.89 3mlw s GLN 6 N 1.28 2.33 0.04 1.54 -0.21 -1.26 -1.70 119.66 121.67 3mlw s GLN 6 Ca 0.02 -1.07 0.16 0.00 0.02 0.00 0.00 55.36 54.49 3mlw s GLN 6 Cb -0.13 -2.52 -0.16 0.00 1.00 0.00 0.00 33.01 31.20 3mlw s GLN 6 CO -0.09 -0.85 0.78 -1.13 -2.12 0.00 0.00 175.29 171.88 3mlw n SER 7 N -2.37 0.85 0.00 5.90 3.41 -1.19 -4.98 113.62 115.24 3mlw n SER 7 Ca 0.11 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3mlw n SER 7 Cb 0.60 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3mlw n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlw n GLY 8 N 1.43 2.50 3.48 5.00 0.00 -1.26 -5.03 105.19 111.31 3mlw n GLY 8 Ca -0.11 -1.80 -0.46 0.00 0.00 0.00 0.00 46.02 43.64 3mlw n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlw n ALA 9 N 1.22 -1.73 -3.66 4.61 0.00 -1.26 -4.81 120.51 114.87 3mlw n ALA 9 Ca 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 3mlw n ALA 9 Cb 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 19.45 17.50 3mlw n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mlw s GLU 10 N -1.25 0.97 -0.18 0.00 0.41 -0.73 -5.00 118.70 112.91 3mlw s GLU 10 Ca 0.62 -0.12 -0.04 0.00 -0.41 0.00 0.00 54.97 55.02 3mlw s GLU 10 Cb -0.82 -1.02 -0.02 0.00 -1.78 0.00 0.00 34.13 30.49 3mlw s GLU 10 CO 0.58 -0.13 -0.03 0.08 -0.49 0.00 0.00 175.26 175.27 3mlw s VAL 11 N 1.18 3.78 0.23 2.63 1.01 -1.26 -1.06 120.40 126.91 3mlw s VAL 11 Ca -0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3mlw s VAL 11 Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3mlw s VAL 11 CO -0.01 0.45 0.19 -0.54 0.00 0.00 0.00 175.10 175.19 3mlw s LYS 12 N 0.83 1.34 0.23 2.72 -0.14 0.32 -4.99 119.74 120.04 3mlw s LYS 12 Ca -0.01 -1.68 0.09 0.00 -1.36 0.00 0.00 55.97 53.01 3mlw s LYS 12 Cb -0.14 0.30 -0.04 0.00 -1.68 0.00 0.00 37.83 36.26 3mlw s LYS 12 CO 0.02 -0.46 -0.04 0.15 -0.76 0.00 0.00 175.35 174.25 3mlw s LYS 13 N -3.99 2.20 0.21 1.68 1.02 -1.26 -1.79 119.74 117.81 3mlw s LYS 13 Ca 0.38 -1.34 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 3mlw s LYS 13 Cb 0.05 -2.17 -0.11 0.00 -0.52 0.00 0.00 37.83 35.09 3mlw s LYS 13 CO 0.15 0.40 1.64 0.00 -0.92 0.00 0.00 175.35 176.61 3mlw s ALA 14 N -2.04 3.84 0.00 5.17 0.00 -0.87 -2.72 121.76 125.13 3mlw s ALA 14 Ca 0.29 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3mlw s ALA 14 Cb -0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3mlw s ALA 14 CO 0.18 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3mlw n GLY 15 N 3.56 2.44 3.82 0.00 0.00 0.19 -4.97 105.19 110.22 3mlw n GLY 15 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3mlw n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mlw s GLU 16 N -0.70 4.26 0.47 1.61 2.02 -1.10 -4.37 118.70 120.89 3mlw s GLU 16 Ca 0.00 1.06 -0.13 0.00 0.02 0.00 0.00 54.97 55.92 3mlw s GLU 16 Cb 0.00 -2.39 -0.07 0.00 0.10 0.00 0.00 34.13 31.77 3mlw s GLU 16 CO 0.00 0.09 0.88 0.45 0.02 0.00 0.00 175.26 176.71 3mlw s SER 17 N -2.05 6.53 0.00 -0.19 0.15 -1.24 -1.26 113.70 115.65 3mlw s SER 17 Ca 0.57 1.33 -0.18 0.00 0.70 0.00 0.00 55.95 58.38 3mlw s SER 17 Cb -0.12 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 3mlw s SER 17 CO 0.16 -0.52 0.38 -0.22 1.20 0.00 0.00 173.24 174.25 3mlw s LEU 18 N -4.07 0.54 0.00 3.45 2.96 -1.05 -4.96 118.68 115.55 3mlw s LEU 18 Ca 0.55 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.59 3mlw s LEU 18 Cb -0.10 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.15 3mlw s LEU 18 CO 0.33 -0.55 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.03 3mlw s GLU 19 N -1.76 0.66 0.15 1.98 -6.30 -1.26 -0.94 118.70 111.23 3mlw s GLU 19 Ca -0.10 -0.37 0.06 0.00 -2.50 0.00 0.00 54.97 52.06 3mlw s GLU 19 Cb -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 34.13 33.44 3mlw s GLU 19 CO 0.02 0.17 -0.14 0.96 0.02 0.00 0.00 175.26 176.29 3mlw s ILE 20 N -0.36 1.43 0.36 -3.70 -4.36 0.05 -4.99 121.20 109.63 3mlw s ILE 20 Ca 0.02 -1.89 0.06 0.00 -0.26 0.00 0.00 60.65 58.58 3mlw s ILE 20 Cb -0.04 -1.71 -0.07 0.00 1.25 0.00 0.00 42.46 41.89 3mlw s ILE 20 CO -0.00 -0.49 -0.00 -0.94 0.24 0.00 0.00 174.94 173.74 3mlw s SER 21 N -2.75 3.25 -0.26 4.36 1.04 -1.26 -0.30 113.70 117.78 3mlw s SER 21 Ca 0.13 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 3mlw s SER 21 Cb -0.03 -0.27 0.15 0.00 0.10 0.00 0.00 66.02 65.98 3mlw s SER 21 CO 0.04 -0.44 0.45 0.00 0.98 0.00 0.00 173.24 174.26 3mlw s LYS 23 N 2.64 2.95 0.10 0.00 2.20 -0.69 -0.21 119.74 126.73 3mlw s LYS 23 Ca 0.15 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 54.61 3mlw s LYS 23 Cb -0.15 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.61 3mlw s LYS 23 CO -0.18 -0.55 0.59 0.20 -0.36 0.00 0.00 175.35 175.05 3mlw s GLY 24 N 1.50 2.63 0.16 5.54 0.00 -1.00 -2.17 107.32 113.98 3mlw s GLY 24 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 3mlw s GLY 24 CO 0.04 0.42 0.26 -1.35 0.00 0.00 0.00 173.10 172.46 3mlw s SER 25 N -1.29 0.07 -1.16 1.64 1.04 -0.72 -4.84 113.70 108.45 3mlw s SER 25 Ca 0.32 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3mlw s SER 25 Cb -0.18 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3mlw s SER 25 CO 0.19 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.15 3mlw n GLY 26 N -0.20 0.75 3.83 7.32 0.00 -1.26 -2.37 105.19 113.25 3mlw n GLY 26 Ca -0.07 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3mlw n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mlw s TYR 27 N -2.50 -0.03 -0.88 1.61 -0.85 -1.26 -4.38 117.35 109.07 3mlw s TYR 27 Ca 0.00 -0.52 -0.24 0.00 -0.52 0.00 0.00 57.07 55.79 3mlw s TYR 27 Cb 0.00 0.75 0.05 0.00 0.38 0.00 0.00 41.96 43.14 3mlw s TYR 27 CO 0.00 -1.38 1.31 0.99 -1.52 0.00 0.00 175.55 174.96 3mlw s THR 28 N -3.22 3.96 0.49 -3.49 2.01 -1.26 -4.86 115.64 109.27 3mlw s THR 28 Ca 0.13 -0.36 0.24 0.00 0.31 0.00 0.00 61.69 62.01 3mlw s THR 28 Cb -0.05 -4.95 0.41 0.00 0.01 0.00 0.00 72.50 67.92 3mlw s THR 28 CO 0.09 -1.83 1.92 0.15 -0.69 0.00 0.00 174.62 174.27 3mlw h PHE 29 N 9.78 0.19 -0.03 4.92 3.57 -1.96 0.01 116.94 133.42 3mlw h PHE 29 Ca -0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3mlw h PHE 29 Cb 1.03 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3mlw h PHE 29 CO 1.19 0.06 0.00 -2.37 -2.23 0.00 0.00 178.31 174.96 3mlw n THR 30 N -4.39 0.04 0.06 4.41 5.66 -1.26 -3.69 114.28 115.11 3mlw n THR 30 Ca 0.15 -0.06 -0.22 0.00 -3.05 0.00 0.00 64.05 60.87 3mlw n THR 30 Cb 0.72 -0.13 -0.15 0.00 -1.55 0.00 0.00 70.33 69.22 3mlw n THR 30 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 3mlw h ASP 31 N 0.33 0.55 -4.42 1.09 3.45 -1.38 -3.13 116.42 112.92 3mlw h ASP 31 Ca 0.00 -0.91 -0.69 0.00 0.43 0.00 0.00 57.03 55.86 3mlw h ASP 31 Cb 0.07 -0.18 -0.28 0.00 -0.56 0.00 0.00 39.33 38.38 3mlw h ASP 31 CO 0.00 1.65 -0.88 -1.00 -1.57 0.00 0.00 179.24 177.44 3mlw s HIS 32 N -2.52 2.29 0.37 4.55 3.76 -1.24 -4.93 115.29 117.56 3mlw s HIS 32 Ca -0.16 -0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 54.07 3mlw s HIS 32 Cb 0.04 -1.41 -0.12 0.00 1.11 0.00 0.00 32.58 32.20 3mlw s HIS 32 CO 0.84 0.06 1.16 0.91 -0.85 0.00 0.00 174.74 176.85 3mlw n TRP 33 N 2.04 1.76 -5.00 1.40 7.02 -1.26 -4.52 117.44 118.89 3mlw n TRP 33 Ca -0.17 0.57 -0.32 0.00 -1.02 0.00 0.00 57.50 56.57 3mlw n TRP 33 Cb 0.52 -2.33 -0.14 0.00 -2.42 0.00 0.00 31.31 26.94 3mlw n TRP 33 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3mlw s ILE 34 N -1.16 2.72 0.26 -0.99 1.09 -0.38 -1.55 121.20 121.19 3mlw s ILE 34 Ca 0.59 -0.83 0.11 0.00 -1.10 0.00 0.00 60.65 59.42 3mlw s ILE 34 Cb -0.58 -2.06 -0.05 0.00 -1.06 0.00 0.00 42.46 38.72 3mlw s ILE 34 CO 0.60 0.57 -0.10 0.00 -0.10 0.00 0.00 174.94 175.90 3mlw s ALA 35 N -0.32 2.94 -0.06 9.38 0.00 -0.43 -0.05 121.76 133.22 3mlw s ALA 35 Ca 0.02 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.30 3mlw s ALA 35 Cb -0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 3mlw s ALA 35 CO 0.02 0.30 -0.20 -1.58 0.00 0.00 0.00 175.76 174.30 3mlw s TRP 36 N -2.30 2.09 -0.06 0.00 0.52 -0.59 -1.88 118.94 116.71 3mlw s TRP 36 Ca 0.30 -0.70 0.04 0.00 0.02 0.00 0.00 56.10 55.76 3mlw s TRP 36 Cb -0.06 -1.40 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 3mlw s TRP 36 CO 0.17 -0.26 -0.19 0.08 0.02 0.00 0.00 176.95 176.77 3mlw s VAL 37 N 0.14 1.60 0.03 4.03 1.01 -0.40 -0.93 120.40 125.88 3mlw s VAL 37 Ca -0.09 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3mlw s VAL 37 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3mlw s VAL 37 CO 0.04 0.46 -0.14 -0.60 0.00 0.00 0.00 175.10 174.86 3mlw s ARG 38 N 0.16 2.25 -0.22 2.72 3.52 -0.13 -0.94 118.95 126.32 3mlw s ARG 38 Ca -0.08 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 54.59 3mlw s ARG 38 Cb -0.14 -2.30 0.09 0.00 -1.56 0.00 0.00 34.95 31.04 3mlw s ARG 38 CO 0.04 0.56 0.17 -1.14 -0.81 0.00 0.00 175.30 174.13 3mlw s GLN 39 N -1.42 0.17 0.20 5.12 0.74 0.28 -0.64 119.66 124.11 3mlw s GLN 39 Ca 0.15 -0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.21 3mlw s GLN 39 Cb -0.11 -1.32 -0.08 0.00 1.10 0.00 0.00 33.01 32.60 3mlw s GLN 39 CO 0.06 -0.77 1.24 0.08 -0.55 0.00 0.00 175.29 175.35 3mlw s VAL 40 N 2.23 3.39 -0.39 1.34 1.01 -1.26 -0.75 120.40 125.97 3mlw s VAL 40 Ca 0.06 1.18 -0.45 0.00 0.00 0.00 0.00 61.98 62.77 3mlw s VAL 40 Cb -0.16 -3.76 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 3mlw s VAL 40 CO -0.18 0.20 1.54 -2.65 0.00 0.00 0.00 175.10 174.01 3mlw n PRO 41 N 2.36 0.18 0.00 2.72 -0.02 -1.26 -0.16 135.00 138.81 3mlw n PRO 41 Ca 0.04 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3mlw n PRO 41 Cb 0.44 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3mlw n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlw n GLY 42 N 3.66 3.07 3.29 -1.23 0.00 -1.26 -5.01 105.19 107.71 3mlw n GLY 42 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 3mlw n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlw n LYS 43 N -1.88 0.07 -1.06 1.61 4.76 0.77 -5.13 118.16 117.30 3mlw n LYS 43 Ca 0.00 -2.34 -0.03 0.00 -2.87 0.00 0.00 58.31 53.07 3mlw n LYS 43 Cb 0.00 -0.53 0.01 0.00 -1.84 0.00 0.00 35.03 32.68 3mlw n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mlw n GLY 44 N -1.45 1.32 3.75 0.72 0.00 -1.26 -4.62 105.19 103.66 3mlw n GLY 44 Ca 0.14 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 3mlw n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlw s LEU 45 N 0.00 4.53 -0.07 0.99 1.43 -1.26 -4.34 118.68 119.95 3mlw s LEU 45 Ca 0.08 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 3mlw s LEU 45 Cb -0.01 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.86 3mlw s LEU 45 CO 0.05 0.07 -0.13 -0.70 0.23 0.00 0.00 176.35 175.88 3mlw s GLU 46 N -0.49 1.79 -0.06 1.70 2.12 0.18 -4.99 118.70 118.97 3mlw s GLU 46 Ca 0.40 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 3mlw s GLU 46 Cb -0.22 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.62 3mlw s GLU 46 CO 0.26 0.00 1.38 -0.46 -0.54 0.00 0.00 175.26 175.91 3mlw s TRP 47 N 0.77 2.75 -0.10 5.30 -0.00 -1.26 -0.95 118.94 125.45 3mlw s TRP 47 Ca -0.12 0.81 0.22 0.00 -0.00 0.00 0.00 56.10 57.01 3mlw s TRP 47 Cb -0.16 -3.63 -0.23 0.00 -0.00 0.00 0.00 33.47 29.45 3mlw s TRP 47 CO 0.02 -2.35 0.63 -1.33 -0.00 0.00 0.00 176.95 173.93 3mlw n MET 48 N 5.93 0.64 0.00 5.86 2.81 -0.10 -4.68 117.12 127.58 3mlw n MET 48 Ca 0.14 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3mlw n MET 48 Cb 0.44 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3mlw n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mlw n GLY 49 N 1.27 0.53 3.43 3.03 0.00 -1.24 -1.72 105.19 110.49 3mlw n GLY 49 Ca -0.05 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 3mlw n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3mlw s MET 50 N -0.67 1.24 0.01 1.61 0.23 0.25 -1.54 119.30 120.44 3mlw s MET 50 Ca 0.00 -0.81 0.03 0.00 -1.03 0.00 0.00 55.69 53.88 3mlw s MET 50 Cb 0.00 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.78 3mlw s MET 50 CO 0.00 -0.51 -0.10 -1.50 -2.03 0.00 0.00 175.02 170.88 3mlw s ILE 51 N -3.85 0.75 -0.40 3.16 -1.16 0.93 -1.11 121.20 119.52 3mlw s ILE 51 Ca 0.07 -0.62 -0.05 0.00 -0.51 0.00 0.00 60.65 59.54 3mlw s ILE 51 Cb 0.00 -0.67 0.10 0.00 0.61 0.00 0.00 42.46 42.50 3mlw s ILE 51 CO -0.07 0.05 0.21 -0.47 -2.81 0.00 0.00 174.94 171.86 3mlw s TYR 52 N -0.54 3.47 0.52 3.50 5.04 0.22 -1.25 117.35 128.32 3mlw s TYR 52 Ca 0.01 -2.09 0.31 0.00 -2.44 0.00 0.00 57.07 52.86 3mlw s TYR 52 Cb -0.05 -3.05 1.45 0.00 0.35 0.00 0.00 41.96 40.65 3mlw s TYR 52 CO 0.00 -0.93 1.87 -1.35 -1.34 0.00 0.00 175.55 173.81 3mlw h PRO 52 N 8.17 0.04 0.11 4.97 0.11 -1.85 0.99 132.00 144.54 3mlw h PRO 52 Ca -0.17 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.95 3mlw h PRO 52 Cb 1.06 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3mlw h PRO 52 CO 0.71 0.03 -0.43 0.78 -0.21 0.00 0.00 178.00 178.88 3mlw h GLY 53 N 0.04 -1.18 -0.07 -0.55 0.00 -1.85 -3.34 103.07 96.12 3mlw h GLY 53 Ca 0.45 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.40 3mlw h GLY 53 CO -0.03 -0.31 -0.03 2.09 0.00 0.00 0.00 176.54 178.26 3mlw n ASP 54 N -4.91 1.52 -1.97 0.19 5.68 -0.98 -5.00 116.55 111.08 3mlw n ASP 54 Ca -0.07 -2.00 -0.19 0.00 -0.50 0.00 0.00 54.79 52.03 3mlw n ASP 54 Cb 0.34 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3mlw n ASP 54 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3mlw n SER 55 N -0.54 -5.42 -4.76 -1.12 2.88 0.34 -4.98 113.62 100.02 3mlw n SER 55 Ca 0.03 0.12 -0.40 0.00 -1.33 0.00 0.00 58.87 57.28 3mlw n SER 55 Cb 0.40 -4.50 -0.03 0.00 -0.75 0.00 0.00 64.21 59.33 3mlw n SER 55 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mlw s ASP 56 N -2.32 7.01 0.10 -3.46 3.68 -1.20 -4.73 116.67 115.75 3mlw s ASP 56 Ca 0.00 2.45 0.06 0.00 2.13 0.00 0.00 52.55 57.19 3mlw s ASP 56 Cb 0.00 -2.63 -0.03 0.00 -1.45 0.00 0.00 42.92 38.80 3mlw s ASP 56 CO 0.00 -0.34 -0.15 0.42 0.13 0.00 0.00 175.17 175.23 3mlw s THR 57 N -1.17 1.32 -0.08 1.71 -4.23 -1.26 0.70 115.64 112.63 3mlw s THR 57 Ca 0.47 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3mlw s THR 57 Cb -0.35 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.13 3mlw s THR 57 CO 0.46 -0.30 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.62 3mlw s ARG 58 N -2.24 0.84 -0.12 3.99 3.52 -0.27 -4.99 118.95 119.68 3mlw s ARG 58 Ca 0.05 -0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.60 3mlw s ARG 58 Cb -0.07 -1.08 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 3mlw s ARG 58 CO 0.03 -0.26 0.06 0.71 -0.81 0.00 0.00 175.30 175.03 3mlw s TYR 59 N 1.74 3.33 0.23 5.12 2.02 -1.26 -0.58 117.35 127.95 3mlw s TYR 59 Ca 0.02 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.69 3mlw s TYR 59 Cb -0.13 -1.91 -0.15 0.00 -0.40 0.00 0.00 41.96 39.38 3mlw s TYR 59 CO -0.05 0.48 1.10 0.45 -1.57 0.00 0.00 175.55 175.97 3mlw n SER 60 N 2.42 1.40 0.15 2.29 2.88 -0.70 -4.84 113.62 117.22 3mlw n SER 60 Ca -0.19 1.16 0.19 0.00 -1.33 0.00 0.00 58.87 58.70 3mlw n SER 60 Cb 0.54 -1.26 0.78 0.00 -0.75 0.00 0.00 64.21 63.52 3mlw n SER 60 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3mlw h PRO 61 N 2.75 0.00 -0.52 -1.46 0.11 -1.92 -1.68 132.00 129.29 3mlw h PRO 61 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3mlw h PRO 61 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 3mlw h PRO 61 CO 0.66 0.00 0.05 -1.13 -0.21 0.00 0.00 178.00 177.37 3mlw n SER 62 N -3.68 5.01 -4.54 -2.05 3.41 -1.26 -4.85 113.62 105.66 3mlw n SER 62 Ca 0.04 -3.04 -0.43 0.00 -0.26 0.00 0.00 58.87 55.19 3mlw n SER 62 Cb 0.49 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 3mlw n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mlw s LEU 63 N -2.85 4.00 0.48 1.04 1.43 -0.64 -4.93 118.68 117.21 3mlw s LEU 63 Ca 0.51 -0.22 0.24 0.00 -1.03 0.00 0.00 54.13 53.63 3mlw s LEU 63 Cb 0.40 -2.93 1.30 0.00 0.03 0.00 0.00 46.19 44.99 3mlw s LEU 63 CO 0.13 -1.23 1.70 1.56 0.23 0.00 0.00 176.35 178.73 3mlw h GLN 64 N 9.31 0.00 0.00 1.70 4.20 -1.89 -3.43 115.11 124.99 3mlw h GLN 64 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3mlw h GLN 64 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3mlw h GLN 64 CO 1.09 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.66 3mlw n GLY 65 N -1.24 0.95 0.10 3.46 0.00 -1.26 -4.93 105.19 102.26 3mlw n GLY 65 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3mlw n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mlw h ARG 66 N 3.84 0.00 -5.84 1.61 3.08 -1.96 -3.47 114.38 111.65 3mlw h ARG 66 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3mlw h ARG 66 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.83 3mlw h ARG 66 CO 0.00 0.44 -0.72 0.54 -1.07 0.00 0.00 179.97 179.17 3mlw s VAL 67 N -2.87 3.51 0.32 2.04 0.11 -1.26 -2.93 120.40 119.31 3mlw s VAL 67 Ca -0.01 -0.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.56 3mlw s VAL 67 Cb 0.08 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 3mlw s VAL 67 CO 0.80 0.56 0.22 0.42 -3.33 0.00 0.00 175.10 173.77 3mlw s THR 68 N -0.33 0.12 0.03 5.04 -4.23 -0.35 -4.93 115.64 110.99 3mlw s THR 68 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3mlw s THR 68 Cb -0.13 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3mlw s THR 68 CO 0.02 0.00 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.99 3mlw s MET 69 N -3.65 0.55 0.13 3.99 -1.94 -1.26 -1.24 119.30 115.87 3mlw s MET 69 Ca 0.38 -0.58 -0.07 0.00 -1.71 0.00 0.00 55.69 53.70 3mlw s MET 69 Cb 0.03 -0.41 -0.01 0.00 2.01 0.00 0.00 34.83 36.45 3mlw s MET 69 CO 0.22 0.09 0.21 -1.54 -0.01 0.00 0.00 175.02 173.99 3mlw s SER 70 N -1.08 0.12 -0.09 3.03 1.04 -0.69 -4.97 113.70 111.06 3mlw s SER 70 Ca -0.05 -0.84 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 3mlw s SER 70 Cb -0.07 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.47 3mlw s SER 70 CO 0.00 -0.80 0.19 0.00 0.98 0.00 0.00 173.24 173.61 3mlw s ALA 71 N -3.94 -0.34 -0.40 5.32 0.00 -1.26 -0.07 121.76 121.07 3mlw s ALA 71 Ca 0.13 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 3mlw s ALA 71 Cb 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3mlw s ALA 71 CO -0.04 -0.36 0.31 0.34 0.00 0.00 0.00 175.76 176.01 3mlw s ASP 72 N 1.72 6.12 0.55 0.00 3.68 -0.39 -4.95 116.67 123.39 3mlw s ASP 72 Ca -0.04 -0.78 0.21 0.00 2.13 0.00 0.00 52.55 54.07 3mlw s ASP 72 Cb -0.12 -2.17 1.49 0.00 -1.45 0.00 0.00 42.92 40.68 3mlw s ASP 72 CO -0.07 -0.43 2.19 0.11 0.13 0.00 0.00 175.17 177.10 3mlw h LYS 73 N 8.62 0.00 0.30 4.34 1.57 -1.86 -0.70 116.57 128.84 3mlw h LYS 73 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3mlw h LYS 73 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3mlw h LYS 73 CO 0.72 0.00 -0.15 1.15 -0.57 0.00 0.00 179.45 180.61 3mlw h THR 74 N 0.00 0.72 -0.23 -0.16 2.02 -1.96 -3.25 112.91 110.04 3mlw h THR 74 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3mlw h THR 74 Cb 0.01 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3mlw h THR 74 CO -0.00 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.17 3mlw n LEU 75 N -5.16 2.88 -3.87 2.58 4.32 -1.22 -4.96 117.00 111.58 3mlw n LEU 75 Ca -0.10 -1.15 -0.26 0.00 -0.02 0.00 0.00 56.01 54.48 3mlw n LEU 75 Cb 0.25 -0.14 -0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3mlw n LEU 75 CO 0.32 0.57 -0.18 -1.20 -1.22 0.00 0.00 177.39 175.68 3mlw n SER 76 N 1.15 -1.44 -4.14 -1.43 7.64 -0.31 -4.85 113.62 110.25 3mlw n SER 76 Ca 0.17 -0.99 -0.18 0.00 1.01 0.00 0.00 58.87 58.88 3mlw n SER 76 Cb 0.54 -3.22 -0.12 0.00 -1.01 0.00 0.00 64.21 60.40 3mlw n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mlw s THR 77 N -3.82 1.01 0.06 0.44 2.01 -0.96 -2.36 115.64 112.01 3mlw s THR 77 Ca 0.10 -1.17 0.08 0.00 0.31 0.00 0.00 61.69 61.01 3mlw s THR 77 Cb -0.04 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3mlw s THR 77 CO 0.88 -0.18 -0.19 0.00 -0.69 0.00 0.00 174.62 174.43 3mlw s ALA 78 N -1.15 2.57 -0.05 7.40 0.00 0.71 -1.27 121.76 129.98 3mlw s ALA 78 Ca -0.02 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.74 3mlw s ALA 78 Cb -0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3mlw s ALA 78 CO 0.02 0.57 -0.19 0.71 0.00 0.00 0.00 175.76 176.87 3mlw s TYR 79 N -0.97 1.87 -0.24 0.00 1.51 0.90 -0.27 117.35 120.15 3mlw s TYR 79 Ca 0.15 -0.54 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 3mlw s TYR 79 Cb -0.10 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 3mlw s TYR 79 CO 0.06 -0.18 0.12 -1.17 -1.11 0.00 0.00 175.55 173.28 3mlw s LEU 80 N -0.01 3.85 0.04 -1.29 2.96 0.59 -1.71 118.68 123.12 3mlw s LEU 80 Ca -0.04 -0.00 0.09 0.00 -0.22 0.00 0.00 54.13 53.96 3mlw s LEU 80 Cb -0.12 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3mlw s LEU 80 CO 0.02 0.04 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.75 3mlw s GLN 81 N 1.19 1.67 -0.02 1.98 -0.21 -0.38 -0.77 119.66 123.13 3mlw s GLN 81 Ca 0.06 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.41 3mlw s GLN 81 Cb -0.14 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 32.04 3mlw s GLN 81 CO 0.05 0.47 -0.10 -1.58 -2.12 0.00 0.00 175.29 172.01 3mlw s TRP 82 N -0.80 1.04 -0.11 0.91 0.51 -0.12 -1.21 118.94 119.17 3mlw s TRP 82 Ca 0.10 -0.25 -0.22 0.00 -2.12 0.00 0.00 56.10 53.61 3mlw s TRP 82 Cb -0.10 -0.72 -0.27 0.00 -0.81 0.00 0.00 33.47 31.57 3mlw s TRP 82 CO 0.02 -0.09 0.70 0.77 -0.51 0.00 0.00 176.95 177.84 3mlw h SER 82 N 6.26 0.26 -2.32 2.95 0.02 -1.82 -2.77 113.55 116.13 3mlw h SER 82 Ca -0.33 -0.89 -0.43 0.00 -0.84 0.00 0.00 61.79 59.29 3mlw h SER 82 Cb 1.17 -0.09 -0.35 0.00 0.14 0.00 0.00 62.40 63.27 3mlw h SER 82 CO 0.49 1.35 -0.72 -0.60 -1.14 0.00 0.00 176.83 176.20 3mlw s ARG 82 N -2.37 0.42 0.54 3.45 3.52 -1.26 -3.60 118.95 119.64 3mlw s ARG 82 Ca -0.18 -0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 54.55 3mlw s ARG 82 Cb 0.01 -0.91 -0.05 0.00 -1.56 0.00 0.00 34.95 32.44 3mlw s ARG 82 CO 0.75 -1.11 1.38 1.28 -0.81 0.00 0.00 175.30 176.79 3mlw n LEU 82 N 4.78 5.54 -4.47 -0.88 4.77 -0.39 -4.72 117.00 121.63 3mlw n LEU 82 Ca 0.03 1.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.78 3mlw n LEU 82 Cb 0.43 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.84 3mlw n LEU 82 CO 0.06 -0.51 -0.25 -1.83 -1.33 0.00 0.00 177.39 173.53 3mlw s GLU 83 N -2.85 1.74 0.28 3.23 -1.05 -1.26 0.52 118.70 119.31 3mlw s GLU 83 Ca 0.70 -2.00 0.02 0.00 -0.15 0.00 0.00 54.97 53.54 3mlw s GLU 83 Cb -0.42 -0.80 0.60 0.00 -0.44 0.00 0.00 34.13 33.07 3mlw s GLU 83 CO 0.50 -0.28 1.79 0.00 0.95 0.00 0.00 175.26 178.22 3mlw h ALA 84 N 2.01 1.46 -0.01 -0.84 0.00 -1.93 -1.40 119.26 118.55 3mlw h ALA 84 Ca -0.39 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3mlw h ALA 84 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mlw h ALA 84 CO 0.66 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.79 3mlw n SER 85 N -4.77 0.11 -0.05 0.00 3.41 -1.26 -2.76 113.62 108.29 3mlw n SER 85 Ca 0.19 -1.57 0.15 0.00 -0.26 0.00 0.00 58.87 57.38 3mlw n SER 85 Cb 0.46 -0.01 0.80 0.00 -0.26 0.00 0.00 64.21 65.20 3mlw n SER 85 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mlw n ASP 86 N -0.65 0.19 -4.62 4.04 8.00 -0.53 -4.84 116.55 118.13 3mlw n ASP 86 Ca 0.11 -0.70 -0.43 0.00 0.71 0.00 0.00 54.79 54.48 3mlw n ASP 86 Cb 0.07 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3mlw n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mlw s THR 87 N -2.26 3.69 0.14 -3.53 2.01 -1.11 -4.91 115.64 109.67 3mlw s THR 87 Ca 0.38 0.76 -0.24 0.00 0.31 0.00 0.00 61.69 62.89 3mlw s THR 87 Cb 0.21 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 69.05 3mlw s THR 87 CO 0.41 -0.36 1.06 0.00 -0.69 0.00 0.00 174.62 175.05 3mlw s ALA 88 N 5.49 -1.74 -0.01 7.40 0.00 -0.69 -4.55 121.76 127.65 3mlw s ALA 88 Ca 0.72 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 3mlw s ALA 88 Cb -0.23 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3mlw s ALA 88 CO 0.30 -1.06 0.62 1.41 0.00 0.00 0.00 175.76 177.03 3mlw s MET 89 N -2.54 4.35 -0.20 0.00 -2.45 0.07 -1.20 119.30 117.34 3mlw s MET 89 Ca 0.18 0.77 0.01 0.00 -1.25 0.00 0.00 55.69 55.41 3mlw s MET 89 Cb -0.01 -3.36 0.03 0.00 1.25 0.00 0.00 34.83 32.73 3mlw s MET 89 CO 0.03 0.30 -0.16 0.71 1.05 0.00 0.00 175.02 176.95 3mlw s TYR 90 N 0.01 2.90 0.10 4.11 1.51 -0.43 -0.56 117.35 125.00 3mlw s TYR 90 Ca 0.32 -1.73 0.03 0.00 -1.01 0.00 0.00 57.07 54.68 3mlw s TYR 90 Cb -0.18 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3mlw s TYR 90 CO 0.17 -0.80 0.15 0.71 -1.11 0.00 0.00 175.55 174.67 3mlw s TYR 91 N 1.27 3.29 0.06 2.71 2.02 -0.12 0.44 117.35 127.02 3mlw s TYR 91 Ca 0.02 0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.87 3mlw s TYR 91 Cb -0.15 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3mlw s TYR 91 CO -0.10 0.53 -0.07 0.00 -1.57 0.00 0.00 175.55 174.34 3mlw s ALA 93 N -1.14 -0.33 -0.14 0.00 0.00 -0.79 -0.91 121.76 118.46 3mlw s ALA 93 Ca 0.20 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 3mlw s ALA 93 Cb -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3mlw s ALA 93 CO 0.12 -0.16 0.20 -0.98 0.00 0.00 0.00 175.76 174.94 3mlw s ARG 94 N 1.18 3.89 -1.09 0.00 1.04 -0.58 -1.31 118.95 122.08 3mlw s ARG 94 Ca -0.09 -0.04 -0.20 0.00 -1.04 0.00 0.00 55.73 54.36 3mlw s ARG 94 Cb -0.11 -3.31 0.08 0.00 -2.04 0.00 0.00 34.95 29.57 3mlw s ARG 94 CO -0.06 0.51 1.47 -1.17 -0.04 0.00 0.00 175.30 176.00 3mlw s LEU 95 N -0.30 4.00 -0.30 -1.89 2.96 -0.59 -3.80 118.68 118.75 3mlw s LEU 95 Ca 0.14 -1.95 -0.22 0.00 -0.22 0.00 0.00 54.13 51.88 3mlw s LEU 95 Cb -0.12 -2.53 0.20 0.00 0.50 0.00 0.00 46.19 44.23 3mlw s LEU 95 CO 0.03 -1.28 1.38 -2.28 -1.32 0.00 0.00 176.35 172.89 3mlw s HIS 96 N 4.07 -0.07 0.01 5.38 2.46 -0.33 -4.52 115.29 122.29 3mlw s HIS 96 Ca 0.45 0.15 0.01 0.00 0.47 0.00 0.00 55.06 56.14 3mlw s HIS 96 Cb -0.00 0.34 -0.01 0.00 -0.13 0.00 0.00 32.58 32.78 3mlw s HIS 96 CO -0.04 -0.03 -0.02 -0.47 -2.47 0.00 0.00 174.74 171.70 3mlw s TYR 97 N 0.36 0.20 -0.17 3.88 5.04 -0.58 -3.97 117.35 122.10 3mlw s TYR 97 Ca 0.02 -0.17 -0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3mlw s TYR 97 Cb -0.04 -0.13 0.04 0.00 0.35 0.00 0.00 41.96 42.18 3mlw s TYR 97 CO -0.14 -0.05 -0.07 -1.12 -1.34 0.00 0.00 175.55 172.84 3mlw s SER 98 N -0.46 2.97 0.80 4.32 0.01 -1.26 -1.52 113.70 118.57 3mlw s SER 98 Ca -0.04 -0.72 -0.11 0.00 1.31 0.00 0.00 55.95 56.39 3mlw s SER 98 Cb -0.03 -1.00 0.07 0.00 0.21 0.00 0.00 66.02 65.27 3mlw s SER 98 CO -0.00 -0.17 1.09 1.51 0.41 0.00 0.00 173.24 176.08 3mlw s ASP 99 N 1.57 4.40 0.25 2.44 1.47 -1.19 -4.96 116.67 120.65 3mlw s ASP 99 Ca 0.00 1.37 0.23 0.00 1.18 0.00 0.00 52.55 55.34 3mlw s ASP 99 Cb -0.15 -2.11 0.97 0.00 -0.34 0.00 0.00 42.92 41.29 3mlw s ASP 99 CO -0.08 -2.03 1.70 0.54 0.68 0.00 0.00 175.17 175.98 3mlw n ARG 100 N -3.48 0.19 -0.28 2.11 1.74 -1.26 -1.74 116.66 113.93 3mlw n ARG 100 Ca 0.07 0.42 -0.02 0.00 -0.77 0.00 0.00 57.85 57.55 3mlw n ARG 100 Cb 0.56 -1.86 0.08 0.00 -1.02 0.00 0.00 32.46 30.22 3mlw n ARG 100 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3mlw n SER 100 N -2.22 2.69 0.00 0.55 3.41 -1.26 -4.88 113.62 111.91 3mlw n SER 100 Ca 0.02 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 3mlw n SER 100 Cb 0.23 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3mlw n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlw n GLY 100 N 0.12 2.03 3.73 5.00 0.00 -0.71 -4.98 105.19 110.37 3mlw n GLY 100 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3mlw n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mlw n SER 100 N 0.00 2.43 -3.95 1.61 7.64 -1.25 -4.88 113.62 115.22 3mlw n SER 100 Ca 0.00 0.96 -0.31 0.00 1.01 0.00 0.00 58.87 60.53 3mlw n SER 100 Cb 0.00 -1.55 -0.15 0.00 -1.01 0.00 0.00 64.21 61.50 3mlw n SER 100 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3mlw s TYR 100 N -1.31 3.04 -0.15 1.43 5.04 -1.26 -3.19 117.35 120.95 3mlw s TYR 100 Ca 0.72 -2.45 -0.04 0.00 -2.44 0.00 0.00 57.07 52.86 3mlw s TYR 100 Cb -0.42 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 3mlw s TYR 100 CO 0.49 -0.90 -0.01 -0.06 -1.34 0.00 0.00 175.55 173.73 3mlw s PHE 100 N 1.16 3.10 -0.91 4.97 0.40 -0.57 -5.01 117.98 121.11 3mlw s PHE 100 Ca 0.06 -0.14 0.10 0.00 -0.60 0.00 0.00 56.93 56.35 3mlw s PHE 100 Cb -0.19 -1.96 0.24 0.00 0.51 0.00 0.00 43.02 41.62 3mlw s PHE 100 CO -0.11 0.08 1.15 0.27 0.70 0.00 0.00 175.22 177.31 3mlw n ASN 100 N 3.33 2.63 -0.02 1.36 0.23 -1.26 -1.53 115.26 120.01 3mlw n ASN 100 Ca -0.17 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.00 3mlw n ASN 100 Cb 0.53 -0.17 0.01 0.00 -2.08 0.00 0.00 39.78 38.06 3mlw n ASN 100 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mlw n ASP 100 N 0.44 1.13 -4.16 0.53 5.75 -1.26 -4.67 116.55 114.31 3mlw n ASP 100 Ca 0.09 -1.63 -0.34 0.00 -0.01 0.00 0.00 54.79 52.90 3mlw n ASP 100 Cb 0.38 -0.02 -0.14 0.00 -1.03 0.00 0.00 41.12 40.30 3mlw n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mlw s VAL 100 N -0.63 2.71 -1.13 2.12 1.01 -1.26 -4.93 120.40 118.29 3mlw s VAL 100 Ca 0.01 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 3mlw s VAL 100 Cb 0.01 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3mlw s VAL 100 CO 0.00 0.05 1.95 0.49 0.00 0.00 0.00 175.10 177.59 3mlw n PHE 100 N 4.59 3.00 -0.07 5.22 3.72 -1.26 -1.19 117.46 131.48 3mlw n PHE 100 Ca -0.15 -2.15 -0.15 0.00 -0.05 0.00 0.00 57.45 54.96 3mlw n PHE 100 Cb 0.45 -2.32 -0.13 0.00 -0.94 0.00 0.00 39.48 36.54 3mlw n PHE 100 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3mlw h HIS 101 N 7.96 0.03 -3.25 1.38 -0.00 -1.69 -3.46 115.15 116.12 3mlw h HIS 101 Ca 0.40 -0.02 -0.59 0.00 -0.00 0.00 0.00 60.37 60.16 3mlw h HIS 101 Cb 0.78 -0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.11 3mlw h HIS 101 CO 1.31 1.04 -0.18 1.41 -0.00 0.00 0.00 177.93 181.51 3mlw s MET 102 N -2.24 4.23 0.14 5.26 -2.45 -1.26 -5.01 119.30 117.97 3mlw s MET 102 Ca -0.19 0.39 0.08 0.00 -1.25 0.00 0.00 55.69 54.71 3mlw s MET 102 Cb -0.02 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.64 3mlw s MET 102 CO 0.69 0.31 -0.17 -1.58 1.05 0.00 0.00 175.02 175.32 3mlw s TRP 103 N 0.17 1.67 0.68 4.11 0.52 -1.26 -1.53 118.94 123.30 3mlw s TRP 103 Ca 0.24 -0.49 -0.05 0.00 0.02 0.00 0.00 56.10 55.82 3mlw s TRP 103 Cb -0.15 -0.86 0.06 0.00 -1.15 0.00 0.00 33.47 31.38 3mlw s TRP 103 CO 0.10 0.25 0.96 0.20 0.02 0.00 0.00 176.95 178.49 3mlw s GLY 104 N -2.50 1.73 0.00 0.98 0.00 -0.08 -4.66 107.32 102.79 3mlw s GLY 104 Ca 0.12 -1.10 0.22 0.00 0.00 0.00 0.00 44.72 43.96 3mlw s GLY 104 CO 0.05 -0.70 1.71 -1.06 0.00 0.00 0.00 173.10 173.10 3mlw n GLN 105 N -2.80 0.04 0.00 2.90 3.00 -1.26 -4.72 117.38 114.53 3mlw n GLN 105 Ca 0.09 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3mlw n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 3mlw n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mlw n GLY 106 N 0.76 1.02 3.11 1.08 0.00 -1.26 -5.00 105.19 104.90 3mlw n GLY 106 Ca 0.06 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3mlw n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlw s THR 107 N -2.30 2.11 -0.03 2.61 2.01 0.17 -4.70 115.64 115.51 3mlw s THR 107 Ca 0.00 -1.17 -0.25 0.00 0.31 0.00 0.00 61.69 60.58 3mlw s THR 107 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3mlw s THR 107 CO 0.00 0.35 0.77 0.28 -0.69 0.00 0.00 174.62 175.33 3mlw s THR 108 N 1.23 4.95 -0.11 -0.82 -1.32 -1.26 -1.31 115.64 116.99 3mlw s THR 108 Ca 0.00 1.60 -0.01 0.00 -1.21 0.00 0.00 61.69 62.08 3mlw s THR 108 Cb -0.15 -4.11 0.03 0.00 -1.51 0.00 0.00 72.50 66.76 3mlw s THR 108 CO -0.10 0.26 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.82 3mlw s VAL 109 N 0.66 0.88 -0.12 5.08 1.01 -0.34 -1.78 120.40 125.79 3mlw s VAL 109 Ca 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3mlw s VAL 109 Cb -0.19 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3mlw s VAL 109 CO 0.21 0.30 -0.09 -0.89 0.00 0.00 0.00 175.10 174.63 3mlw s THR 110 N 1.76 3.42 -0.13 3.92 2.01 -0.22 -1.71 115.64 124.69 3mlw s THR 110 Ca 0.04 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 3mlw s THR 110 Cb -0.13 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 69.98 3mlw s THR 110 CO -0.07 0.54 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.65 3mlw s VAL 111 N 0.01 0.91 -0.13 3.82 1.01 -1.26 -0.52 120.40 124.23 3mlw s VAL 111 Ca -0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3mlw s VAL 111 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3mlw s VAL 111 CO 0.03 0.24 0.06 -0.94 0.00 0.00 0.00 175.10 174.49 3mlw s SER 112 N 1.74 5.71 -0.44 3.32 1.04 -0.74 -4.66 113.70 119.68 3mlw s SER 112 Ca 0.03 0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.74 3mlw s SER 112 Cb -0.14 -1.84 0.42 0.00 0.10 0.00 0.00 66.02 64.56 3mlw s SER 112 CO -0.08 0.30 1.07 -1.54 0.98 0.00 0.00 173.24 173.98 3mlw n SER 113 N 2.66 4.21 -3.63 7.02 3.41 -1.26 -2.06 113.62 123.96 3mlw n SER 113 Ca -0.18 -3.57 -0.11 0.00 -0.26 0.00 0.00 58.87 54.74 3mlw n SER 113 Cb 0.53 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 3mlw n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mlw s ALA 114 N -3.46 -1.87 1.02 7.33 0.00 -1.26 -4.62 121.76 118.89 3mlw s ALA 114 Ca 0.45 2.03 -0.13 0.00 0.00 0.00 0.00 51.96 54.31 3mlw s ALA 114 Cb 0.40 -1.30 0.18 0.00 0.00 0.00 0.00 23.12 22.39 3mlw s ALA 114 CO -0.15 -0.31 1.03 0.43 0.00 0.00 0.00 175.76 176.76 3mlw n SER 115 N 2.73 -0.09 -4.63 0.00 7.64 -1.26 -5.03 113.62 113.00 3mlw n SER 115 Ca -0.14 -1.35 -0.42 0.00 1.01 0.00 0.00 58.87 57.97 3mlw n SER 115 Cb 0.56 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 3mlw n SER 115 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mlw s THR 116 N -3.23 4.79 -0.05 0.44 2.01 -1.26 -4.65 115.64 113.70 3mlw s THR 116 Ca 0.59 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.96 3mlw s THR 116 Cb -0.02 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.35 3mlw s THR 116 CO 0.42 -0.20 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.30 3mlw s LYS 117 N 2.96 1.22 0.65 4.92 2.20 -0.36 -4.96 119.74 126.36 3mlw s LYS 117 Ca 0.34 -0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.53 3mlw s LYS 117 Cb -0.14 -1.08 -0.01 0.00 -1.51 0.00 0.00 37.83 35.08 3mlw s LYS 117 CO 0.11 0.03 1.05 0.20 -0.36 0.00 0.00 175.35 176.38 3mlw s GLY 118 N 0.56 1.81 0.33 5.54 0.00 -1.26 -1.62 107.32 112.67 3mlw s GLY 118 Ca -0.10 0.15 -0.09 0.00 0.00 0.00 0.00 44.72 44.68 3mlw s GLY 118 CO 0.02 0.46 0.66 2.56 0.00 0.00 0.00 173.10 176.79 3mlw s PRO 119 N -4.75 3.77 0.07 2.90 0.04 -1.26 -4.59 135.00 131.18 3mlw s PRO 119 Ca 0.59 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.79 3mlw s PRO 119 Cb -0.14 -2.52 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 3mlw s PRO 119 CO 0.49 0.13 0.51 -1.12 0.04 0.00 0.00 177.00 177.05 3mlw s SER 120 N -2.88 6.92 -0.05 6.66 0.01 -0.17 -4.92 113.70 119.27 3mlw s SER 120 Ca 0.49 1.12 0.05 0.00 1.31 0.00 0.00 55.95 58.91 3mlw s SER 120 Cb -0.11 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 3mlw s SER 120 CO 0.27 0.24 -0.19 0.68 0.41 0.00 0.00 173.24 174.65 3mlw s VAL 121 N -1.20 2.61 -0.02 3.43 -7.23 -1.26 -1.07 120.40 115.67 3mlw s VAL 121 Ca 0.30 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 3mlw s VAL 121 Cb -0.17 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 3mlw s VAL 121 CO 0.17 0.58 -0.12 -0.36 -0.31 0.00 0.00 175.10 175.06 3mlw s PHE 122 N -0.50 1.15 0.26 2.82 0.08 -0.24 -4.98 117.98 116.57 3mlw s PHE 122 Ca 0.06 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 3mlw s PHE 122 Cb -0.11 -0.77 -0.09 0.00 -0.57 0.00 0.00 43.02 41.47 3mlw s PHE 122 CO 0.01 -0.07 1.07 -1.25 -0.10 0.00 0.00 175.22 174.88 3mlw s PRO 123 N -0.08 4.67 -0.68 0.24 0.04 -1.26 -0.06 135.00 137.88 3mlw s PRO 123 Ca 0.01 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 3mlw s PRO 123 Cb -0.07 -3.22 0.18 0.00 0.04 0.00 0.00 34.50 31.43 3mlw s PRO 123 CO 0.00 0.25 0.54 -0.51 0.04 0.00 0.00 177.00 177.32 3mlw s LEU 124 N -1.27 5.81 0.38 -3.56 1.43 -0.25 -4.86 118.68 116.36 3mlw s LEU 124 Ca 0.44 -2.69 -0.27 0.00 -1.03 0.00 0.00 54.13 50.58 3mlw s LEU 124 Cb -0.31 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 3mlw s LEU 124 CO 0.39 -0.47 1.40 0.00 0.23 0.00 0.00 176.35 177.90 3mlw s ALA 125 N 0.17 3.46 0.66 4.21 0.00 -1.26 -1.40 121.76 127.60 3mlw s ALA 125 Ca 0.16 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.41 3mlw s ALA 125 Cb -0.17 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.39 3mlw s ALA 125 CO -0.05 -0.94 1.08 -1.25 0.00 0.00 0.00 175.76 174.60 3mlw s PRO 126 N -2.10 2.92 0.30 0.00 0.04 -1.26 -4.89 135.00 130.03 3mlw s PRO 126 Ca 0.54 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 3mlw s PRO 126 Cb -0.43 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.18 3mlw s PRO 126 CO 0.57 -1.13 0.82 -1.54 0.04 0.00 0.00 177.00 175.77 3mlw s SER 127 N -3.00 -0.09 0.18 6.66 1.04 -1.26 -4.54 113.70 112.70 3mlw s SER 127 Ca 0.63 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 3mlw s SER 127 Cb -0.17 0.73 0.10 0.00 0.10 0.00 0.00 66.02 66.78 3mlw s SER 127 CO 0.44 -1.41 1.58 0.28 0.98 0.00 0.00 173.24 175.11 3mlw h SER 128 N 2.00 -1.30 0.37 7.02 0.02 -1.97 0.12 113.55 119.81 3mlw h SER 128 Ca -0.27 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3mlw h SER 128 Cb 1.24 0.62 0.00 0.00 0.14 0.00 0.00 62.40 64.41 3mlw h SER 128 CO 0.33 -0.31 0.00 0.11 -1.14 0.00 0.00 176.83 175.82 3mlw h LYS 129 N -0.18 0.00 0.00 3.45 1.79 -1.99 -2.21 116.57 117.43 3mlw h LYS 129 Ca 0.22 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.42 3mlw h LYS 129 Cb 0.56 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 3mlw h LYS 129 CO -0.70 0.00 -1.84 0.45 -1.08 0.00 0.00 179.45 176.28 3mlw n SER 130 N -2.56 0.58 -4.79 0.86 2.88 0.13 -4.95 113.62 105.77 3mlw n SER 130 Ca -0.00 0.27 -0.38 0.00 -1.33 0.00 0.00 58.87 57.42 3mlw n SER 130 Cb 0.14 0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 3mlw n SER 130 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3mlw s THR 131 N -2.69 4.91 -0.43 2.46 -1.32 0.17 -3.21 115.64 115.53 3mlw s THR 131 Ca -0.06 1.09 0.02 0.00 -1.21 0.00 0.00 61.69 61.54 3mlw s THR 131 Cb 0.08 -3.85 0.15 0.00 -1.51 0.00 0.00 72.50 67.37 3mlw s THR 131 CO 0.83 0.50 0.28 -0.55 -2.21 0.00 0.00 174.62 173.47 3mlw s SER 132 N -0.67 2.89 0.61 8.08 0.15 0.36 -4.94 113.70 120.18 3mlw s SER 132 Ca 0.28 -2.74 0.00 0.00 0.70 0.00 0.00 55.95 54.19 3mlw s SER 132 Cb -0.18 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 3mlw s SER 132 CO 0.16 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3mlw n GLY 133 N 3.34 0.93 1.42 9.45 0.00 -1.26 -3.41 105.19 115.67 3mlw n GLY 133 Ca 0.17 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.31 3mlw n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlw n GLY 134 N 0.00 2.58 3.12 -0.02 0.00 -1.26 -4.94 105.19 104.68 3mlw n GLY 134 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 3mlw n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlw s THR 135 N -2.09 1.14 0.00 2.61 2.01 -1.22 -1.84 115.64 116.26 3mlw s THR 135 Ca 0.34 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3mlw s THR 135 Cb 0.26 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 3mlw s THR 135 CO 0.09 0.26 -0.10 0.00 -0.69 0.00 0.00 174.62 174.19 3mlw s ALA 136 N -0.43 0.80 -0.15 7.40 0.00 0.73 0.14 121.76 130.25 3mlw s ALA 136 Ca 0.05 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 3mlw s ALA 136 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3mlw s ALA 136 CO -0.00 0.17 0.11 0.00 0.00 0.00 0.00 175.76 176.04 3mlw s ALA 137 N -0.42 3.68 0.05 0.00 0.00 -1.20 -0.17 121.76 123.70 3mlw s ALA 137 Ca 0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 3mlw s ALA 137 Cb -0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3mlw s ALA 137 CO -0.00 0.41 -0.04 -0.48 0.00 0.00 0.00 175.76 175.65 3mlw s LEU 138 N -0.38 2.42 0.00 0.00 0.05 -0.75 -4.07 118.68 115.96 3mlw s LEU 138 Ca 0.11 -0.86 -0.01 0.00 0.05 0.00 0.00 54.13 53.42 3mlw s LEU 138 Cb -0.12 0.13 0.00 0.00 -2.05 0.00 0.00 46.19 44.16 3mlw s LEU 138 CO 0.01 -0.50 0.40 0.61 -0.55 0.00 0.00 176.35 176.33 3mlw n GLY 139 N 0.50 2.35 3.04 -3.48 0.00 -0.49 -1.06 105.19 106.05 3mlw n GLY 139 Ca -0.17 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 3mlw n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlw s LEU 141 N 0.89 4.64 -0.41 0.00 2.96 0.92 -1.79 118.68 125.89 3mlw s LEU 141 Ca -0.09 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 3mlw s LEU 141 Cb -0.15 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.08 3mlw s LEU 141 CO 0.00 -0.60 0.28 -0.69 -1.32 0.00 0.00 176.35 174.02 3mlw s VAL 142 N 2.36 4.69 0.15 1.68 1.01 -0.03 -1.07 120.40 129.19 3mlw s VAL 142 Ca 0.16 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3mlw s VAL 142 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3mlw s VAL 142 CO 0.15 -0.41 -0.06 -1.59 0.00 0.00 0.00 175.10 173.19 3mlw s LYS 143 N 1.55 1.04 -0.88 2.72 -2.85 -0.23 -0.46 119.74 120.62 3mlw s LYS 143 Ca 0.03 -1.46 -0.05 0.00 -1.00 0.00 0.00 55.97 53.49 3mlw s LYS 143 Cb -0.22 -0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 35.05 3mlw s LYS 143 CO 0.06 -0.01 0.78 -0.25 0.10 0.00 0.00 175.35 176.03 3mlw n ASP 144 N -0.19 -6.07 -4.20 0.03 9.92 0.66 -1.00 116.55 115.69 3mlw n ASP 144 Ca -0.09 -0.57 -0.14 0.00 -0.53 0.00 0.00 54.79 53.45 3mlw n ASP 144 Cb 0.61 -4.57 -0.10 0.00 -0.64 0.00 0.00 41.12 36.43 3mlw n ASP 144 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3mlw s TYR 145 N -3.31 1.12 -0.27 1.24 -0.85 -0.81 -4.29 117.35 110.18 3mlw s TYR 145 Ca 0.37 -0.73 -0.25 0.00 -0.52 0.00 0.00 57.07 55.94 3mlw s TYR 145 Cb -0.05 -0.60 0.08 0.00 0.38 0.00 0.00 41.96 41.77 3mlw s TYR 145 CO 0.64 0.01 0.76 0.12 -1.52 0.00 0.00 175.55 175.56 3mlw s PHE 146 N -2.92 -0.75 0.00 -3.49 5.36 -0.64 0.19 117.98 115.73 3mlw s PHE 146 Ca 0.11 1.82 0.00 0.00 -0.96 0.00 0.00 56.93 57.90 3mlw s PHE 146 Cb 0.00 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 3mlw s PHE 146 CO -0.00 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.05 3mlw n PRO 147 N 2.63 2.56 -2.97 10.12 -0.04 -1.26 -1.23 135.00 144.81 3mlw n PRO 147 Ca -0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 3mlw n PRO 147 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 3mlw n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mlw s GLU 148 N 1.94 3.50 0.24 0.54 2.02 -1.26 -4.76 118.70 120.93 3mlw s GLU 148 Ca 0.00 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 54.97 3mlw s GLU 148 Cb 0.00 -2.51 0.04 0.00 0.10 0.00 0.00 34.13 31.77 3mlw s GLU 148 CO 0.00 -0.05 0.34 -0.35 0.02 0.00 0.00 175.26 175.21 3mlw n PRO 149 N -2.05 0.73 -4.49 0.39 -0.04 -1.26 -4.98 135.00 123.31 3mlw n PRO 149 Ca -0.02 -1.21 -0.24 0.00 -0.04 0.00 0.00 63.50 61.99 3mlw n PRO 149 Cb 0.56 -0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 3mlw n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mlw s VAL 150 N -0.57 2.03 0.09 0.52 0.11 -1.26 -4.62 120.40 116.69 3mlw s VAL 150 Ca 0.25 -2.19 0.08 0.00 -2.93 0.00 0.00 61.98 57.18 3mlw s VAL 150 Cb -0.02 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.26 3mlw s VAL 150 CO 0.16 -0.26 -0.20 0.42 -3.33 0.00 0.00 175.10 171.89 3mlw s THR 151 N -2.75 1.61 0.05 5.04 -4.23 -0.64 -5.00 115.64 109.72 3mlw s THR 151 Ca 0.31 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 3mlw s THR 151 Cb 0.02 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 3mlw s THR 151 CO 0.14 -0.03 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.32 3mlw s VAL 152 N -1.10 1.41 0.11 2.29 1.01 -1.26 -2.30 120.40 120.56 3mlw s VAL 152 Ca 0.05 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 3mlw s VAL 152 Cb -0.10 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.03 3mlw s VAL 152 CO 0.03 0.04 0.29 -0.94 0.00 0.00 0.00 175.10 174.52 3mlw s SER 153 N -1.34 -0.03 0.05 3.32 1.04 -0.75 -4.98 113.70 111.01 3mlw s SER 153 Ca 0.04 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 56.00 3mlw s SER 153 Cb -0.09 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3mlw s SER 153 CO 0.02 -0.80 -0.21 0.26 0.98 0.00 0.00 173.24 173.48 3mlw s TRP 154 N -3.85 2.46 -1.16 5.02 0.52 -1.26 0.14 118.94 120.81 3mlw s TRP 154 Ca 0.06 -0.32 -0.23 0.00 0.02 0.00 0.00 56.10 55.63 3mlw s TRP 154 Cb 0.03 -1.43 0.03 0.00 -1.15 0.00 0.00 33.47 30.96 3mlw s TRP 154 CO -0.10 0.22 0.44 0.09 0.02 0.00 0.00 176.95 177.61 3mlw n ASN 155 N 1.58 -2.41 -2.53 2.95 3.02 0.15 0.03 115.26 118.06 3mlw n ASN 155 Ca -0.16 -1.16 -0.09 0.00 -0.03 0.00 0.00 54.58 53.14 3mlw n ASN 155 Cb 0.52 -1.40 -0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3mlw n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mlw n SER 156 N -1.97 -2.82 0.00 6.41 7.64 -1.26 -0.65 113.62 120.97 3mlw n SER 156 Ca -0.15 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3mlw n SER 156 Cb 0.53 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 3mlw n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlw n GLY 157 N -0.71 3.17 0.27 0.23 0.00 0.10 -4.91 105.19 103.34 3mlw n GLY 157 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3mlw n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlw h ALA 158 N 0.00 1.00 -2.52 4.61 0.00 -0.94 -3.37 119.26 118.03 3mlw h ALA 158 Ca 0.00 0.16 -0.61 0.00 0.00 0.00 0.00 54.91 54.47 3mlw h ALA 158 Cb 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 3mlw h ALA 158 CO 0.00 -0.33 0.13 -1.17 0.00 0.00 0.00 179.25 177.88 3mlw s LEU 159 N -10.56 4.08 -0.01 0.00 2.96 -1.23 -4.92 118.68 109.00 3mlw s LEU 159 Ca -0.13 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 3mlw s LEU 159 Cb 0.21 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 44.09 3mlw s LEU 159 CO 0.76 -0.33 0.77 0.41 -1.32 0.00 0.00 176.35 176.63 3mlw n THR 160 N 5.05 0.46 -3.63 3.68 -1.04 -1.26 -4.27 114.28 113.27 3mlw n THR 160 Ca -0.01 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 3mlw n THR 160 Cb 0.49 0.69 -0.07 0.00 -1.82 0.00 0.00 70.33 69.62 3mlw n THR 160 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3mlw s SER 161 N -0.65 -0.70 -0.35 8.00 0.15 -1.26 -4.29 113.70 114.60 3mlw s SER 161 Ca 0.02 1.32 -0.15 0.00 0.70 0.00 0.00 55.95 57.84 3mlw s SER 161 Cb 0.02 1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 65.65 3mlw s SER 161 CO 0.00 -0.25 0.37 -0.83 1.20 0.00 0.00 173.24 173.73 3mlw s GLY 162 N 0.27 1.90 -0.22 9.45 0.00 -1.25 -4.88 107.32 112.60 3mlw s GLY 162 Ca -0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.43 3mlw s GLY 162 CO 0.00 1.01 -0.08 0.14 0.00 0.00 0.00 173.10 174.18 3mlw s VAL 163 N 2.02 3.04 -0.24 1.40 1.01 -1.26 -2.14 120.40 124.23 3mlw s VAL 163 Ca 0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3mlw s VAL 163 Cb -0.17 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3mlw s VAL 163 CO 0.12 0.42 -0.03 -2.28 0.00 0.00 0.00 175.10 173.32 3mlw s HIS 164 N 1.42 3.01 -0.40 5.22 2.46 0.26 -4.99 115.29 122.28 3mlw s HIS 164 Ca 0.05 -1.12 -0.06 0.00 0.47 0.00 0.00 55.06 54.40 3mlw s HIS 164 Cb -0.14 -2.11 0.09 0.00 -0.13 0.00 0.00 32.58 30.28 3mlw s HIS 164 CO -0.05 -0.61 0.20 0.99 -2.47 0.00 0.00 174.74 172.80 3mlw s THR 165 N 1.44 3.67 0.84 0.89 2.01 -1.26 0.16 115.64 123.39 3mlw s THR 165 Ca 0.04 -1.67 -0.11 0.00 0.31 0.00 0.00 61.69 60.26 3mlw s THR 165 Cb -0.15 -3.33 0.09 0.00 0.01 0.00 0.00 72.50 69.12 3mlw s THR 165 CO -0.03 -0.53 1.09 -0.36 -0.69 0.00 0.00 174.62 174.10 3mlw s PHE 166 N 1.29 2.51 0.63 4.92 0.40 -0.40 -4.99 117.98 122.33 3mlw s PHE 166 Ca 0.04 1.33 -0.17 0.00 -0.60 0.00 0.00 56.93 57.53 3mlw s PHE 166 Cb -0.23 -3.11 -0.01 0.00 0.51 0.00 0.00 43.02 40.18 3mlw s PHE 166 CO -0.01 -2.08 1.13 -2.14 0.70 0.00 0.00 175.22 172.83 3mlw s PRO 167 N -4.97 2.89 0.63 0.24 0.02 -1.26 -4.58 135.00 127.98 3mlw s PRO 167 Ca 0.62 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 3mlw s PRO 167 Cb -0.17 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 3mlw s PRO 167 CO 0.56 -1.20 1.07 0.00 -0.33 0.00 0.00 177.00 177.10 3mlw s ALA 168 N -2.08 2.64 0.06 -1.55 0.00 -1.26 -4.75 121.76 114.82 3mlw s ALA 168 Ca 0.70 0.38 0.08 0.00 0.00 0.00 0.00 51.96 53.13 3mlw s ALA 168 Cb -0.23 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3mlw s ALA 168 CO 0.37 -1.04 -0.22 0.54 0.00 0.00 0.00 175.76 175.42 3mlw s VAL 169 N -2.53 2.53 -0.27 0.00 0.11 0.30 -4.97 120.40 115.58 3mlw s VAL 169 Ca 0.64 -1.36 -0.10 0.00 -2.93 0.00 0.00 61.98 58.23 3mlw s VAL 169 Cb -0.17 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 3mlw s VAL 169 CO 0.42 0.29 0.15 -0.22 -3.33 0.00 0.00 175.10 172.40 3mlw s LEU 170 N -1.54 3.82 0.66 2.54 0.20 -1.26 -2.39 118.68 120.70 3mlw s LEU 170 Ca 0.14 -0.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.85 3mlw s LEU 170 Cb -0.10 -2.05 0.05 0.00 -0.43 0.00 0.00 46.19 43.66 3mlw s LEU 170 CO 0.05 -0.04 0.94 -1.10 -0.29 0.00 0.00 176.35 175.91 3mlw s GLN 171 N 1.67 2.28 0.06 1.98 -0.21 -0.49 -4.97 119.66 119.99 3mlw s GLN 171 Ca 0.07 -0.44 0.24 0.00 0.02 0.00 0.00 55.36 55.24 3mlw s GLN 171 Cb -0.16 -2.27 0.96 0.00 1.00 0.00 0.00 33.01 32.54 3mlw s GLN 171 CO 0.08 -1.08 1.75 -1.13 -2.12 0.00 0.00 175.29 172.79 3mlw n SER 172 N -2.74 0.21 0.00 5.90 3.41 -1.26 -2.31 113.62 116.83 3mlw n SER 172 Ca 0.08 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 3mlw n SER 172 Cb 0.60 -0.58 0.72 0.00 -0.26 0.00 0.00 64.21 64.69 3mlw n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mlw n SER 173 N -1.71 0.00 0.00 4.04 3.41 -1.26 -4.90 113.62 113.20 3mlw n SER 173 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3mlw n SER 173 Cb 0.29 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3mlw n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlw n GLY 174 N 1.29 1.31 3.94 5.00 0.00 -0.98 -4.79 105.19 110.95 3mlw n GLY 174 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3mlw n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlw s LEU 175 N 0.00 4.29 0.41 0.99 1.02 -1.26 -4.73 118.68 119.40 3mlw s LEU 175 Ca 0.00 0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.43 3mlw s LEU 175 Cb 0.00 -3.01 -0.01 0.00 0.02 0.00 0.00 46.19 43.19 3mlw s LEU 175 CO 0.00 0.01 0.60 -0.31 0.02 0.00 0.00 176.35 176.67 3mlw s TYR 176 N -1.81 3.19 0.03 0.29 1.51 0.13 -1.40 117.35 119.29 3mlw s TYR 176 Ca 0.36 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.41 3mlw s TYR 176 Cb -0.11 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.55 3mlw s TYR 176 CO 0.29 -0.23 0.20 -1.12 -1.11 0.00 0.00 175.55 173.57 3mlw s SER 177 N -4.20 0.01 0.13 2.29 0.01 -1.01 -0.25 113.70 110.68 3mlw s SER 177 Ca 0.47 -0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.30 3mlw s SER 177 Cb -0.10 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.43 3mlw s SER 177 CO 0.36 -0.50 0.37 -1.48 0.41 0.00 0.00 173.24 172.39 3mlw s LEU 178 N -1.85 0.59 -0.04 2.44 0.05 0.39 -0.54 118.68 119.72 3mlw s LEU 178 Ca -0.08 -0.43 0.06 0.00 0.05 0.00 0.00 54.13 53.73 3mlw s LEU 178 Cb -0.03 1.68 -0.02 0.00 -2.05 0.00 0.00 46.19 45.77 3mlw s LEU 178 CO -0.02 -0.85 -0.24 -0.44 -0.55 0.00 0.00 176.35 174.25 3mlw s SER 179 N -2.83 3.21 -0.12 1.48 0.01 -1.26 -0.85 113.70 113.33 3mlw s SER 179 Ca 0.05 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.88 3mlw s SER 179 Cb 0.02 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 3mlw s SER 179 CO -0.10 0.29 -0.18 -0.55 0.41 0.00 0.00 173.24 173.11 3mlw s SER 180 N -0.41 3.60 0.04 2.44 0.15 -0.74 -1.28 113.70 117.51 3mlw s SER 180 Ca 0.04 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.32 3mlw s SER 180 Cb -0.12 -1.52 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 3mlw s SER 180 CO 0.01 0.16 -0.19 0.68 1.20 0.00 0.00 173.24 175.10 3mlw s VAL 181 N 0.39 1.51 0.00 4.45 -7.23 0.12 -0.20 120.40 119.44 3mlw s VAL 181 Ca -0.14 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 3mlw s VAL 181 Cb -0.17 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3mlw s VAL 181 CO 0.07 0.14 -0.16 0.54 -0.31 0.00 0.00 175.10 175.37 3mlw s VAL 182 N -0.82 1.27 -0.14 1.32 0.11 -0.22 0.93 120.40 122.85 3mlw s VAL 182 Ca 0.06 -0.79 -0.09 0.00 -2.93 0.00 0.00 61.98 58.22 3mlw s VAL 182 Cb -0.09 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.64 3mlw s VAL 182 CO 0.02 0.27 0.18 0.42 -3.33 0.00 0.00 175.10 172.66 3mlw s THR 183 N -0.50 5.41 0.13 5.04 -4.23 -0.91 -1.80 115.64 118.78 3mlw s THR 183 Ca 0.05 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.86 3mlw s THR 183 Cb -0.07 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 3mlw s THR 183 CO -0.00 0.54 0.03 0.68 -0.54 0.00 0.00 174.62 175.33 3mlw s VAL 184 N -0.48 0.27 0.25 2.29 -7.23 0.76 -3.81 120.40 112.46 3mlw s VAL 184 Ca 0.14 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3mlw s VAL 184 Cb -0.12 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 3mlw s VAL 184 CO 0.03 -0.54 1.24 -2.84 -0.31 0.00 0.00 175.10 172.68 3mlw s PRO 185 N -4.00 4.46 0.32 4.82 0.02 -1.26 -0.19 135.00 139.17 3mlw s PRO 185 Ca 0.22 2.01 0.25 0.00 0.02 0.00 0.00 61.00 63.49 3mlw s PRO 185 Cb 0.07 -3.16 0.57 0.00 0.02 0.00 0.00 34.50 32.00 3mlw s PRO 185 CO 0.01 -0.09 1.68 0.66 -0.33 0.00 0.00 177.00 178.93 3mlw h SER 186 N 4.39 0.00 0.15 2.53 4.64 -1.66 -3.02 113.55 120.59 3mlw h SER 186 Ca -0.46 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3mlw h SER 186 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mlw h SER 186 CO 0.71 0.00 -0.14 0.28 -0.87 0.00 0.00 176.83 176.81 3mlw h SER 187 N 0.00 0.00 -0.26 4.97 0.02 -1.92 -3.01 113.55 113.35 3mlw h SER 187 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mlw h SER 187 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3mlw h SER 187 CO 0.00 0.14 0.00 -1.54 -1.14 0.00 0.00 176.83 174.29 3mlw n SER 188 N -4.30 2.85 0.30 3.07 3.41 -1.14 -4.52 113.62 113.29 3mlw n SER 188 Ca -0.03 -1.90 0.20 0.00 -0.26 0.00 0.00 58.87 56.88 3mlw n SER 188 Cb 0.21 -0.16 0.95 0.00 -0.26 0.00 0.00 64.21 64.94 3mlw n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mlw h LEU 189 N 3.85 0.00 -2.92 1.04 4.07 -1.63 -0.82 115.31 118.90 3mlw h LEU 189 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3mlw h LEU 189 Cb 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.58 3mlw h LEU 189 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3mlw n GLY 190 N -0.56 2.86 0.00 0.83 0.00 -1.26 -4.63 105.19 102.42 3mlw n GLY 190 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3mlw n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mlw n THR 191 N 0.30 0.00 -3.68 2.61 -2.24 -1.04 -5.08 114.28 105.15 3mlw n THR 191 Ca 0.10 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 3mlw n THR 191 Cb 0.41 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 3mlw n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mlw s GLN 192 N -0.74 3.62 -0.06 -0.78 2.00 -0.34 -5.10 119.66 118.26 3mlw s GLN 192 Ca 0.00 -0.07 -0.04 0.00 -2.00 0.00 0.00 55.36 53.24 3mlw s GLN 192 Cb 0.00 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.87 3mlw s GLN 192 CO 0.00 0.51 0.14 -0.08 -0.50 0.00 0.00 175.29 175.36 3mlw s THR 193 N -1.58 5.34 -0.16 -0.34 -1.32 -1.26 -4.87 115.64 111.45 3mlw s THR 193 Ca 0.38 -0.03 -0.00 0.00 -1.21 0.00 0.00 61.69 60.83 3mlw s THR 193 Cb -0.13 -3.40 0.04 0.00 -1.51 0.00 0.00 72.50 67.50 3mlw s THR 193 CO 0.23 0.47 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.72 3mlw s TYR 194 N -1.16 1.88 -0.12 9.09 2.02 -1.26 -4.99 117.35 122.81 3mlw s TYR 194 Ca 0.21 -1.15 0.02 0.00 -0.37 0.00 0.00 57.07 55.78 3mlw s TYR 194 Cb -0.12 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3mlw s TYR 194 CO 0.11 -0.63 -0.15 0.42 -1.57 0.00 0.00 175.55 173.73 3mlw s ILE 195 N 1.58 1.53 0.08 2.71 1.01 -1.26 0.04 121.20 126.89 3mlw s ILE 195 Ca 0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 3mlw s ILE 195 Cb -0.15 -1.40 -0.06 0.00 0.01 0.00 0.00 42.46 40.86 3mlw s ILE 195 CO -0.08 0.45 0.43 0.00 0.00 0.00 0.00 174.94 175.73 3mlw s ASN 197 N -1.65 3.86 -0.16 0.00 0.01 0.37 -1.75 114.94 115.61 3mlw s ASN 197 Ca 0.32 -0.63 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 3mlw s ASN 197 Cb -0.14 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 39.90 3mlw s ASN 197 CO 0.17 -0.04 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.85 3mlw s VAL 198 N 1.36 2.38 -0.11 1.60 1.01 0.67 -1.82 120.40 125.49 3mlw s VAL 198 Ca 0.04 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3mlw s VAL 198 Cb -0.14 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3mlw s VAL 198 CO -0.07 0.53 -0.14 0.21 0.00 0.00 0.00 175.10 175.62 3mlw s ASN 199 N 0.96 2.39 -0.41 3.32 2.47 -0.97 -0.66 114.94 122.04 3mlw s ASN 199 Ca -0.03 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 52.85 3mlw s ASN 199 Cb -0.15 -1.06 0.13 0.00 -1.45 0.00 0.00 41.25 38.73 3mlw s ASN 199 CO -0.04 0.00 0.22 -2.28 -3.72 0.00 0.00 177.10 171.28 3mlw s HIS 200 N 1.05 1.67 0.31 0.43 5.65 -0.53 -1.62 115.29 122.26 3mlw s HIS 200 Ca -0.05 -2.18 -0.01 0.00 0.25 0.00 0.00 55.06 53.07 3mlw s HIS 200 Cb -0.15 -1.66 0.49 0.00 -1.18 0.00 0.00 32.58 30.09 3mlw s HIS 200 CO -0.02 -0.80 1.98 0.87 -0.65 0.00 0.00 174.74 176.11 3mlw h LYS 201 N 6.94 1.02 0.00 2.88 1.79 -1.84 -2.11 116.57 125.25 3mlw h LYS 201 Ca -0.01 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3mlw h LYS 201 Cb 0.95 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3mlw h LYS 201 CO 0.43 0.68 -0.01 -1.35 -1.08 0.00 0.00 179.45 178.13 3mlw h PRO 202 N 1.05 0.00 -0.01 3.15 0.11 -1.93 -2.03 132.00 132.34 3mlw h PRO 202 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3mlw h PRO 202 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3mlw h PRO 202 CO -0.06 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 176.60 3mlw n SER 203 N -3.26 1.32 -3.66 -2.05 3.41 -1.04 -5.01 113.62 103.33 3mlw n SER 203 Ca -0.03 -1.19 -0.31 0.00 -0.26 0.00 0.00 58.87 57.09 3mlw n SER 203 Cb 0.09 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 3mlw n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mlw n ASN 204 N 0.13 -5.44 -4.05 4.04 4.13 -0.76 -4.91 115.26 108.40 3mlw n ASN 204 Ca 0.02 -0.99 -0.23 0.00 1.68 0.00 0.00 54.58 55.05 3mlw n ASN 204 Cb 0.09 -3.46 -0.16 0.00 -1.54 0.00 0.00 39.78 34.71 3mlw n ASN 204 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3mlw s THR 205 N -3.45 1.08 -0.05 3.41 -4.23 -1.14 -5.02 115.64 106.24 3mlw s THR 205 Ca 0.47 -0.50 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 3mlw s THR 205 Cb -0.16 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 3mlw s THR 205 CO 0.86 0.33 -0.24 -0.54 -0.54 0.00 0.00 174.62 174.48 3mlw s LYS 206 N 0.27 2.36 -0.02 3.99 1.02 -1.26 -1.45 119.74 124.65 3mlw s LYS 206 Ca -0.06 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.07 3mlw s LYS 206 Cb -0.11 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.15 3mlw s LYS 206 CO 0.02 0.40 -0.06 0.08 -0.92 0.00 0.00 175.35 174.87 3mlw s VAL 207 N -0.23 0.56 -0.16 3.17 1.01 0.17 -4.99 120.40 119.93 3mlw s VAL 207 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3mlw s VAL 207 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3mlw s VAL 207 CO 0.03 0.19 -0.16 -1.81 0.00 0.00 0.00 175.10 173.35 3mlw s ASP 208 N 0.34 3.57 -0.06 3.32 1.01 -1.26 -0.24 116.67 123.35 3mlw s ASP 208 Ca -0.04 -0.50 0.03 0.00 0.71 0.00 0.00 52.55 52.74 3mlw s ASP 208 Cb -0.08 -1.55 0.01 0.00 1.01 0.00 0.00 42.92 42.30 3mlw s ASP 208 CO 0.00 0.06 -0.14 -0.75 0.21 0.00 0.00 175.17 174.55 3mlw s LYS 209 N 0.94 1.84 -0.18 8.23 2.47 -0.72 -4.97 119.74 127.35 3mlw s LYS 209 Ca -0.03 -0.49 -0.23 0.00 -1.56 0.00 0.00 55.97 53.65 3mlw s LYS 209 Cb -0.15 -1.51 -0.02 0.00 -1.46 0.00 0.00 37.83 34.69 3mlw s LYS 209 CO -0.02 0.08 0.75 0.21 0.16 0.00 0.00 175.35 176.52 3mlw s LYS 210 N 0.51 4.27 -0.32 4.03 2.20 -1.26 -0.79 119.74 128.38 3mlw s LYS 210 Ca -0.13 0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 56.22 3mlw s LYS 210 Cb -0.15 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3mlw s LYS 210 CO 0.04 -0.28 0.19 0.08 -0.36 0.00 0.00 175.35 175.02 3mlw s VAL 211 N 2.00 4.92 0.29 4.02 1.01 0.11 -4.89 120.40 127.86 3mlw s VAL 211 Ca 0.34 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3mlw s VAL 211 Cb -0.16 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 3mlw s VAL 211 CO 0.12 0.07 -0.09 -1.61 0.00 0.00 0.00 175.10 173.59 3mlw s GLU 212 N 1.67 1.62 0.00 2.72 2.02 -1.26 -4.26 118.70 121.21 3mlw s GLU 212 Ca 0.05 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3mlw s GLU 212 Cb -0.17 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.71 3mlw s GLU 212 CO 0.08 0.10 0.00 -0.35 0.02 0.00 0.00 175.26 175.12 3mlw n PRO 213 N -0.63 -0.66 -4.87 0.39 -0.04 -1.26 -4.20 135.00 123.74 3mlw n PRO 213 Ca -0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.13 3mlw n PRO 213 Cb 0.63 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.92 3mlw n PRO 213 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3mlw s LYS 214 N -2.18 2.15 0.00 0.54 0.00 -1.26 -4.97 119.74 114.01 3mlw s LYS 214 Ca 0.00 -0.62 0.25 0.00 0.00 0.00 0.00 55.97 55.60 3mlw s LYS 214 Cb 0.00 -1.73 0.39 0.00 0.00 0.00 0.00 37.83 36.49 3mlw s LYS 214 CO 0.00 0.15 1.37 0.45 0.00 0.00 0.00 175.35 177.32