#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wae n ALA 3 N 0.00 2.80 0.01 -1.67 0.00 -1.26 -3.69 120.51 116.69 1wae n ALA 3 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 1wae n ALA 3 Cb 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 1wae n ALA 3 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wae h ASP 4 N 0.92 0.37 -3.37 0.00 3.32 -2.03 -3.39 116.42 112.24 1wae h ASP 4 Ca 0.00 -0.90 -0.55 0.00 0.02 0.00 0.00 57.03 55.60 1wae h ASP 4 Cb 0.38 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1wae h ASP 4 CO 0.00 1.23 -0.15 -0.54 -1.72 0.00 0.00 179.24 178.06 1wae s LYS 5 N -2.65 3.79 0.00 3.56 3.01 -1.24 -4.89 119.74 121.32 1wae s LYS 5 Ca -0.15 0.23 0.00 0.00 -1.01 0.00 0.00 55.97 55.05 1wae s LYS 5 Cb 0.01 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 34.11 1wae s LYS 5 CO 0.79 0.37 0.00 1.28 0.51 0.00 0.00 175.35 178.30 1wae n LEU 6 N 0.03 0.00 -4.65 3.17 4.77 -1.26 -4.66 117.00 114.40 1wae n LEU 6 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.59 1wae n LEU 6 Cb 0.52 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1wae n LEU 6 CO 0.45 0.00 0.66 -2.65 -1.33 0.00 0.00 177.39 174.52 1wae n PRO 7 N -1.21 1.14 -4.11 3.23 -0.02 -1.26 -4.73 135.00 128.04 1wae n PRO 7 Ca 0.00 0.43 -0.27 0.00 -2.02 0.00 0.00 63.50 61.64 1wae n PRO 7 Cb 0.00 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1wae n PRO 7 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1wae s HIS 8 N -1.43 3.07 0.02 6.00 3.76 -1.26 -1.39 115.29 124.07 1wae s HIS 8 Ca 0.73 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.58 1wae s HIS 8 Cb -0.44 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 1wae s HIS 8 CO 0.49 0.52 0.02 -0.08 -0.85 0.00 0.00 174.74 174.84 1wae s THR 9 N -1.69 0.13 -0.15 1.30 -1.32 -0.22 -4.91 115.64 108.77 1wae s THR 9 Ca 0.30 -1.03 -0.00 0.00 -1.21 0.00 0.00 61.69 59.74 1wae s THR 9 Cb -0.10 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 1wae s THR 9 CO 0.22 -0.57 -0.13 -0.54 -2.21 0.00 0.00 174.62 171.39 1wae s LYS 10 N -2.01 3.30 -0.09 7.08 1.02 -1.26 -0.21 119.74 127.57 1wae s LYS 10 Ca -0.10 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 1wae s LYS 10 Cb -0.05 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1wae s LYS 10 CO -0.02 0.07 0.01 0.08 -0.92 0.00 0.00 175.35 174.57 1wae s VAL 11 N 0.69 4.38 -0.23 3.17 1.01 -0.73 -4.96 120.40 123.73 1wae s VAL 11 Ca -0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1wae s VAL 11 Cb -0.15 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1wae s VAL 11 CO 0.02 0.60 0.13 -0.89 0.00 0.00 0.00 175.10 174.96 1wae s THR 12 N -0.81 5.10 0.45 3.92 2.01 -1.26 -4.74 115.64 120.31 1wae s THR 12 Ca 0.12 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 1wae s THR 12 Cb -0.11 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 68.96 1wae s THR 12 CO 0.02 0.36 0.85 -0.76 -0.69 0.00 0.00 174.62 174.39 1wae s LEU 13 N 1.08 3.74 0.15 4.42 1.43 -1.26 -4.87 118.68 123.37 1wae s LEU 13 Ca 0.06 1.27 0.08 0.00 -1.03 0.00 0.00 54.13 54.51 1wae s LEU 13 Cb -0.14 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1wae s LEU 13 CO 0.04 -0.48 -0.17 0.68 0.23 0.00 0.00 176.35 176.65 1wae s VAL 14 N -2.49 1.71 0.32 -1.59 -7.23 -1.26 -5.03 120.40 104.82 1wae s VAL 14 Ca 0.54 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 1wae s VAL 14 Cb -0.10 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 1wae s VAL 14 CO 0.33 -0.33 1.34 0.00 -0.31 0.00 0.00 175.10 176.13 1wae s ALA 15 N -2.03 3.52 0.73 1.32 0.00 -1.26 -4.69 121.76 119.35 1wae s ALA 15 Ca 0.14 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.23 1wae s ALA 15 Cb -0.06 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1wae s ALA 15 CO 0.06 -0.68 0.99 -2.30 0.00 0.00 0.00 175.76 173.82 1wae n PRO 16 N 1.07 0.50 -0.07 0.00 -0.02 -1.26 -2.25 135.00 132.97 1wae n PRO 16 Ca 0.01 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 1wae n PRO 16 Cb 0.41 -2.24 0.34 0.00 -0.02 0.00 0.00 33.50 31.99 1wae n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wae n PRO 17 N -1.94 1.46 -1.65 0.52 -0.04 -1.26 -5.07 135.00 127.03 1wae n PRO 17 Ca 0.13 -0.71 -0.31 0.00 -0.04 0.00 0.00 63.50 62.57 1wae n PRO 17 Cb 0.49 -1.30 0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1wae n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wae s GLN 18 N -1.82 3.05 -0.02 0.54 -1.52 -0.96 -0.94 119.66 117.99 1wae s GLN 18 Ca 0.26 0.95 0.06 0.00 -1.95 0.00 0.00 55.36 54.68 1wae s GLN 18 Cb 0.13 -2.00 -0.01 0.00 -0.22 0.00 0.00 33.01 30.90 1wae s GLN 18 CO 0.20 -1.01 -0.21 0.08 -0.25 0.00 0.00 175.29 174.10 1wae s VAL 19 N -3.01 1.70 0.34 1.09 1.01 -1.26 -4.70 120.40 115.57 1wae s VAL 19 Ca 0.58 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1wae s VAL 19 Cb -0.14 -1.42 -0.11 0.00 0.00 0.00 0.00 36.38 34.71 1wae s VAL 19 CO 0.53 0.48 1.53 -1.38 0.00 0.00 0.00 175.10 176.26 1wae s HIS 20 N -0.39 2.68 0.34 5.22 -3.43 -1.26 -4.90 115.29 113.55 1wae s HIS 20 Ca 0.05 1.00 -0.24 0.00 -0.80 0.00 0.00 55.06 55.07 1wae s HIS 20 Cb -0.09 -4.03 -0.15 0.00 -1.43 0.00 0.00 32.58 26.88 1wae s HIS 20 CO 0.00 -3.21 0.50 -2.30 -2.00 0.00 0.00 174.74 167.72 1wae n PRO 21 N 1.25 0.39 -3.67 -0.38 -0.02 -1.26 -4.96 135.00 126.35 1wae n PRO 21 Ca 0.04 0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.63 1wae n PRO 21 Cb 0.39 -1.30 -0.01 0.00 -0.02 0.00 0.00 33.50 32.55 1wae n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1wae s HIS 22 N -1.34 -0.14 -0.11 6.00 -3.43 -1.26 -5.08 115.29 109.93 1wae s HIS 22 Ca 0.62 -0.07 -0.07 0.00 -0.80 0.00 0.00 55.06 54.74 1wae s HIS 22 Cb -0.71 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1wae s HIS 22 CO 0.59 -0.60 0.15 -1.21 -2.00 0.00 0.00 174.74 171.66 1wae s GLU 23 N -2.99 3.45 0.00 -0.38 2.02 -1.26 -5.08 118.70 114.46 1wae s GLU 23 Ca 0.11 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.96 1wae s GLU 23 Cb 0.00 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1wae s GLU 23 CO -0.01 0.77 0.00 1.04 0.02 0.00 0.00 175.26 177.07 1wae n GLN 24 N 1.88 0.00 -1.95 1.61 6.02 -1.26 -4.89 117.38 118.80 1wae n GLN 24 Ca -0.19 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 1wae n GLN 24 Cb 0.55 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.84 1wae n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wae s ALA 25 N -4.00 2.72 -0.04 -1.58 0.00 -1.26 -4.40 121.76 113.19 1wae s ALA 25 Ca 0.00 1.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 1wae s ALA 25 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1wae s ALA 25 CO 0.00 -1.19 0.51 -0.08 0.00 0.00 0.00 175.76 175.00 1wae s THR 26 N -1.45 0.03 -1.55 0.00 -1.32 -0.74 -4.93 115.64 105.68 1wae s THR 26 Ca 0.73 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 61.24 1wae s THR 26 Cb -0.35 -0.81 0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1wae s THR 26 CO 0.40 -0.12 1.29 0.29 -2.21 0.00 0.00 174.62 174.27 1wae n LYS 27 N 1.20 0.63 -2.26 7.08 4.01 -1.26 -4.78 118.16 122.78 1wae n LYS 27 Ca -0.20 -0.45 -0.34 0.00 -0.51 0.00 0.00 58.31 56.81 1wae n LYS 27 Cb 0.56 -1.49 -0.00 0.00 -0.51 0.00 0.00 35.03 33.59 1wae n LYS 27 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1wae s SER 28 N -2.68 5.83 0.69 4.39 0.01 -1.26 -5.05 113.70 115.62 1wae s SER 28 Ca 0.17 2.05 -0.00 0.00 1.31 0.00 0.00 55.95 59.48 1wae s SER 28 Cb 0.18 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.95 1wae s SER 28 CO 0.63 -1.14 0.95 -0.83 0.41 0.00 0.00 173.24 173.26 1wae s GLY 29 N -2.02 1.77 0.72 3.44 0.00 -1.26 -5.05 107.32 104.92 1wae s GLY 29 Ca 0.70 -1.64 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 1wae s GLY 29 CO 0.28 -1.13 0.55 -1.05 0.00 0.00 0.00 173.10 171.75 1wae n PRO 30 N -2.74 0.31 -3.99 2.90 -0.02 -1.26 -5.04 135.00 125.16 1wae n PRO 30 Ca 0.13 0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 1wae n PRO 30 Cb 0.60 -1.84 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 1wae n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1wae s LYS 31 N -2.77 1.28 -0.40 -0.52 1.02 -1.26 -4.62 119.74 112.46 1wae s LYS 31 Ca 0.66 -1.24 -0.14 0.00 0.02 0.00 0.00 55.97 55.26 1wae s LYS 31 Cb -0.35 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1wae s LYS 31 CO 0.58 -0.49 0.28 0.08 -0.92 0.00 0.00 175.35 174.88 1wae s VAL 32 N -4.00 5.15 -0.29 3.17 1.01 -0.48 -1.50 120.40 123.45 1wae s VAL 32 Ca 0.21 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1wae s VAL 32 Cb 0.02 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1wae s VAL 32 CO 0.04 -0.29 0.45 -0.69 0.00 0.00 0.00 175.10 174.61 1wae s VAL 33 N 1.66 5.10 -0.09 2.92 1.01 -0.23 -1.06 120.40 129.71 1wae s VAL 33 Ca 0.05 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1wae s VAL 33 Cb -0.19 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1wae s VAL 33 CO 0.09 0.03 0.36 -1.61 0.00 0.00 0.00 175.10 173.98 1wae s GLU 34 N 2.22 4.09 0.10 2.72 2.02 0.71 -1.43 118.70 129.12 1wae s GLU 34 Ca 0.18 0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.45 1wae s GLU 34 Cb -0.16 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1wae s GLU 34 CO 0.11 0.42 -0.08 -0.06 0.02 0.00 0.00 175.26 175.67 1wae s PHE 35 N -0.16 0.93 0.01 1.61 0.40 -0.61 -1.78 117.98 118.37 1wae s PHE 35 Ca 0.21 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1wae s PHE 35 Cb -0.15 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.85 1wae s PHE 35 CO 0.09 -0.09 -0.04 0.99 0.70 0.00 0.00 175.22 176.86 1wae s THR 36 N -3.14 0.33 0.00 0.64 2.01 -1.26 -1.72 115.64 112.50 1wae s THR 36 Ca 0.09 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1wae s THR 36 Cb 0.02 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1wae s THR 36 CO -0.03 -0.03 -0.05 -0.04 -0.69 0.00 0.00 174.62 173.78 1wae s MET 37 N -0.42 0.41 -0.18 4.92 -1.94 -0.92 -4.94 119.30 116.23 1wae s MET 37 Ca -0.01 -0.25 0.01 0.00 -1.71 0.00 0.00 55.69 53.72 1wae s MET 37 Cb -0.03 -0.36 0.02 0.00 2.01 0.00 0.00 34.83 36.46 1wae s MET 37 CO -0.00 0.10 -0.19 0.99 -0.01 0.00 0.00 175.02 175.90 1wae s THR 38 N -0.29 2.13 0.24 2.05 2.01 -1.26 -1.73 115.64 118.79 1wae s THR 38 Ca 0.00 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1wae s THR 38 Cb -0.03 -1.89 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 1wae s THR 38 CO -0.00 0.53 1.34 -0.63 -0.69 0.00 0.00 174.62 175.17 1wae s ILE 39 N 1.25 3.00 -0.12 1.82 1.01 -0.70 -1.06 121.20 126.39 1wae s ILE 39 Ca 0.04 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.52 1wae s ILE 39 Cb -0.13 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1wae s ILE 39 CO -0.11 0.14 0.03 -0.70 0.00 0.00 0.00 174.94 174.30 1wae s GLU 40 N -0.49 0.47 0.05 2.79 2.12 -0.40 -4.54 118.70 118.70 1wae s GLU 40 Ca 0.56 -0.06 -0.23 0.00 0.36 0.00 0.00 54.97 55.60 1wae s GLU 40 Cb -0.38 -1.41 -0.06 0.00 0.26 0.00 0.00 34.13 32.54 1wae s GLU 40 CO 0.42 -0.47 0.69 -1.21 -0.54 0.00 0.00 175.26 174.15 1wae s GLU 41 N 1.98 4.42 -0.06 4.30 2.02 -1.26 -1.57 118.70 128.53 1wae s GLU 41 Ca 0.03 0.94 -0.31 0.00 0.02 0.00 0.00 54.97 55.65 1wae s GLU 41 Cb -0.14 -3.33 0.08 0.00 0.10 0.00 0.00 34.13 30.84 1wae s GLU 41 CO -0.06 0.39 0.73 -1.59 0.02 0.00 0.00 175.26 174.75 1wae s LYS 42 N -0.37 0.98 -0.02 1.61 -2.85 -0.41 -4.99 119.74 113.69 1wae s LYS 42 Ca 0.35 0.21 -0.25 0.00 -1.00 0.00 0.00 55.97 55.28 1wae s LYS 42 Cb -0.20 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 1wae s LYS 42 CO 0.21 -0.31 0.76 0.21 0.10 0.00 0.00 175.35 176.32 1wae s LYS 43 N -1.29 4.47 0.08 1.78 2.20 -1.26 -0.73 119.74 124.99 1wae s LYS 43 Ca -0.09 1.01 0.07 0.00 -0.36 0.00 0.00 55.97 56.60 1wae s LYS 43 Cb -0.00 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1wae s LYS 43 CO 0.08 0.11 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.36 1wae s MET 44 N 0.57 1.02 -0.15 4.03 -1.94 -0.05 -4.93 119.30 117.85 1wae s MET 44 Ca 0.40 -1.04 -0.21 0.00 -1.71 0.00 0.00 55.69 53.13 1wae s MET 44 Cb -0.19 -1.17 -0.03 0.00 2.01 0.00 0.00 34.83 35.45 1wae s MET 44 CO 0.21 0.27 0.60 0.08 -0.01 0.00 0.00 175.02 176.17 1wae s VAL 45 N -1.15 5.07 -0.59 -6.03 1.01 -1.26 -0.35 120.40 117.10 1wae s VAL 45 Ca 0.03 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.25 1wae s VAL 45 Cb -0.10 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1wae s VAL 45 CO 0.03 0.19 0.54 2.30 0.00 0.00 0.00 175.10 178.17 1wae n ILE 46 N 4.25 0.00 -4.10 2.22 -6.64 -0.08 -4.85 119.36 110.16 1wae n ILE 46 Ca -0.03 -0.46 -0.15 0.00 -1.77 0.00 0.00 62.75 60.34 1wae n ILE 46 Cb 0.51 1.09 -0.05 0.00 -1.44 0.00 0.00 39.64 39.74 1wae n ILE 46 CO 0.00 0.00 0.00 1.51 -1.77 0.00 0.00 176.55 176.29 1wae s ASP 47 N -0.80 0.92 0.38 7.28 1.47 -1.26 -1.76 116.67 122.90 1wae s ASP 47 Ca 0.05 -1.48 0.27 0.00 1.18 0.00 0.00 52.55 52.57 1wae s ASP 47 Cb 0.05 0.65 0.84 0.00 -0.34 0.00 0.00 42.92 44.11 1wae s ASP 47 CO 0.12 -1.26 1.77 0.44 0.68 0.00 0.00 175.17 176.91 1wae h ASP 48 N 2.13 0.00 0.84 2.11 3.45 -1.95 -3.25 116.42 119.75 1wae h ASP 48 Ca -0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1wae h ASP 48 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1wae h ASP 48 CO 0.39 0.00 -0.66 0.07 -1.57 0.00 0.00 179.24 177.47 1wae h LYS 49 N 0.00 0.00 0.00 3.56 2.10 -2.02 -3.48 116.57 116.73 1wae h LYS 49 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1wae h LYS 49 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1wae h LYS 49 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1wae n GLY 50 N 1.33 1.52 3.77 0.07 0.00 -1.23 -5.07 105.19 105.59 1wae n GLY 50 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1wae n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wae s THR 51 N -2.00 2.22 0.21 2.61 2.01 -1.26 -4.85 115.64 114.58 1wae s THR 51 Ca 0.00 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.29 1wae s THR 51 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1wae s THR 51 CO 0.00 0.03 -0.14 0.42 -0.69 0.00 0.00 174.62 174.24 1wae s THR 52 N -1.22 2.89 -0.09 -0.82 -4.23 -1.26 -0.90 115.64 110.01 1wae s THR 52 Ca 0.60 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1wae s THR 52 Cb -0.42 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1wae s THR 52 CO 0.54 -0.20 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.98 1wae s LEU 53 N -3.01 2.03 -0.83 4.79 2.96 0.53 -4.92 118.68 120.22 1wae s LEU 53 Ca 0.25 -0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 53.39 1wae s LEU 53 Cb -0.08 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1wae s LEU 53 CO 0.14 0.15 1.51 -1.10 -1.32 0.00 0.00 176.35 175.74 1wae s GLN 54 N 0.33 3.14 0.32 1.98 -1.52 -1.26 -0.87 119.66 121.77 1wae s GLN 54 Ca -0.17 -0.38 0.04 0.00 -1.95 0.00 0.00 55.36 52.90 1wae s GLN 54 Cb -0.17 -4.69 -0.02 0.00 -0.22 0.00 0.00 33.01 27.91 1wae s GLN 54 CO 0.08 -2.42 0.47 0.00 -0.25 0.00 0.00 175.29 173.17 1wae s ALA 55 N 6.61 3.93 -0.04 6.09 0.00 0.09 -4.93 121.76 133.50 1wae s ALA 55 Ca 0.48 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1wae s ALA 55 Cb -0.06 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.22 1wae s ALA 55 CO 0.06 0.03 -0.01 -1.64 0.00 0.00 0.00 175.76 174.20 1wae s MET 56 N -4.19 0.45 0.07 0.00 -1.94 -0.73 -1.28 119.30 111.68 1wae s MET 56 Ca 0.40 0.04 0.02 0.00 -1.71 0.00 0.00 55.69 54.45 1wae s MET 56 Cb -0.09 -0.62 -0.03 0.00 2.01 0.00 0.00 34.83 36.10 1wae s MET 56 CO 0.32 -0.14 -0.07 0.95 -0.01 0.00 0.00 175.02 176.07 1wae s THR 57 N 1.13 0.61 -0.24 2.05 -4.23 -0.61 -2.63 115.64 111.72 1wae s THR 57 Ca -0.08 -1.47 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 1wae s THR 57 Cb -0.14 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1wae s THR 57 CO -0.02 -0.61 0.59 -0.36 -0.54 0.00 0.00 174.62 173.69 1wae s PHE 58 N -2.41 3.31 -1.60 3.99 0.08 -1.26 -1.28 117.98 118.82 1wae s PHE 58 Ca -0.00 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1wae s PHE 58 Cb -0.03 -2.79 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 1wae s PHE 58 CO -0.02 -0.26 0.00 0.09 -0.10 0.00 0.00 175.22 174.93 1wae n ASN 59 N 5.42 -4.98 0.00 1.36 4.13 -0.22 -3.21 115.26 117.77 1wae n ASN 59 Ca -0.02 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1wae n ASN 59 Cb 0.49 -3.80 0.00 0.00 -1.54 0.00 0.00 39.78 34.93 1wae n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wae n GLY 60 N -0.91 1.32 3.40 7.41 0.00 -1.26 -4.99 105.19 110.15 1wae n GLY 60 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1wae n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wae s SER 61 N -3.14 3.20 -0.23 1.61 1.04 -1.20 -5.01 113.70 109.98 1wae s SER 61 Ca 0.00 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.54 1wae s SER 61 Cb 0.00 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.91 1wae s SER 61 CO 0.00 0.07 -0.09 -0.04 0.98 0.00 0.00 173.24 174.16 1wae s MET 62 N -2.76 2.95 0.90 4.02 -1.94 -1.26 -3.32 119.30 117.88 1wae s MET 62 Ca 0.20 -0.90 -0.15 0.00 -1.71 0.00 0.00 55.69 53.13 1wae s MET 62 Cb -0.07 -2.90 0.21 0.00 2.01 0.00 0.00 34.83 34.07 1wae s MET 62 CO 0.09 -0.33 1.18 -0.35 -0.01 0.00 0.00 175.02 175.60 1wae n PRO 63 N 4.67 -1.31 -0.67 2.03 -0.04 -1.26 -3.43 135.00 134.99 1wae n PRO 63 Ca -0.18 -1.82 -0.29 0.00 -0.04 0.00 0.00 63.50 61.17 1wae n PRO 63 Cb 0.48 -1.25 0.21 0.00 -0.04 0.00 0.00 33.50 32.91 1wae n PRO 63 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wae s GLY 64 N -5.50 1.60 0.55 0.55 0.00 -0.12 -4.78 107.32 99.62 1wae s GLY 64 Ca 0.67 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 45.29 1wae s GLY 64 CO 0.47 0.71 1.32 2.56 0.00 0.00 0.00 173.10 178.16 1wae s PRO 65 N -4.58 3.13 -0.03 2.90 0.04 -1.26 -4.63 135.00 130.58 1wae s PRO 65 Ca 0.67 2.13 -0.27 0.00 0.04 0.00 0.00 61.00 63.57 1wae s PRO 65 Cb -0.23 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1wae s PRO 65 CO 0.62 -1.16 0.84 0.99 0.04 0.00 0.00 177.00 178.32 1wae s THR 66 N -1.37 4.94 -0.19 1.26 2.01 -1.26 -4.37 115.64 116.67 1wae s THR 66 Ca 0.72 1.75 -0.11 0.00 0.31 0.00 0.00 61.69 64.36 1wae s THR 66 Cb -0.38 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 1wae s THR 66 CO 0.44 0.22 0.17 -0.76 -0.69 0.00 0.00 174.62 174.00 1wae s LEU 67 N 0.84 4.22 -0.13 4.42 1.02 -0.60 -4.62 118.68 123.84 1wae s LEU 67 Ca 0.44 0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.92 1wae s LEU 67 Cb -0.19 -2.16 0.00 0.00 0.02 0.00 0.00 46.19 43.86 1wae s LEU 67 CO 0.23 0.16 -0.19 -0.69 0.02 0.00 0.00 176.35 175.88 1wae s VAL 68 N 0.36 2.35 0.28 -1.59 1.01 -1.26 0.07 120.40 121.62 1wae s VAL 68 Ca 0.10 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1wae s VAL 68 Cb -0.11 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1wae s VAL 68 CO -0.00 0.54 0.17 1.33 0.00 0.00 0.00 175.10 177.13 1wae n VAL 69 N 3.88 0.00 -4.30 2.92 0.24 -0.76 -5.01 118.33 115.30 1wae n VAL 69 Ca -0.19 -1.85 -0.28 0.00 -2.04 0.00 0.00 64.34 59.98 1wae n VAL 69 Cb 0.52 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 1wae n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1wae s HIS 70 N -2.89 2.58 0.08 6.34 3.76 -1.26 -1.83 115.29 122.07 1wae s HIS 70 Ca 0.24 -0.24 -0.35 0.00 -0.15 0.00 0.00 55.06 54.55 1wae s HIS 70 Cb 0.01 -1.30 -0.15 0.00 1.11 0.00 0.00 32.58 32.26 1wae s HIS 70 CO 0.17 0.47 1.55 -1.91 -0.85 0.00 0.00 174.74 174.17 1wae n GLU 71 N 0.32 1.77 0.00 1.40 2.13 0.00 -1.08 120.64 125.18 1wae n GLU 71 Ca -0.12 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1wae n GLU 71 Cb 0.54 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1wae n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wae n GLY 72 N 3.30 2.98 3.66 8.31 0.00 -0.69 -4.69 105.19 118.07 1wae n GLY 72 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1wae n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wae s ASP 73 N -1.16 2.36 -0.08 1.61 1.01 -0.24 -4.67 116.67 115.49 1wae s ASP 73 Ca 0.00 1.14 0.04 0.00 0.71 0.00 0.00 52.55 54.45 1wae s ASP 73 Cb 0.00 -1.79 -0.01 0.00 1.01 0.00 0.00 42.92 42.12 1wae s ASP 73 CO 0.00 -3.29 -0.21 -0.31 0.21 0.00 0.00 175.17 171.56 1wae s TYR 74 N -2.95 2.56 -0.10 4.23 1.51 -0.56 -1.30 117.35 120.74 1wae s TYR 74 Ca 0.66 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 1wae s TYR 74 Cb -0.19 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 1wae s TYR 74 CO 0.58 -0.19 0.37 0.08 -1.11 0.00 0.00 175.55 175.28 1wae s VAL 75 N -0.08 5.20 -0.27 0.71 1.01 0.15 -1.07 120.40 126.06 1wae s VAL 75 Ca -0.05 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1wae s VAL 75 Cb -0.14 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1wae s VAL 75 CO 0.04 0.44 0.06 -1.58 0.00 0.00 0.00 175.10 174.06 1wae s GLN 76 N -0.01 0.81 -0.13 2.72 0.74 -0.51 -1.47 119.66 121.81 1wae s GLN 76 Ca 0.21 -0.88 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 1wae s GLN 76 Cb -0.15 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 1wae s GLN 76 CO 0.09 -0.84 -0.04 -1.17 -0.55 0.00 0.00 175.29 172.77 1wae s LEU 77 N 1.66 3.25 -0.26 3.68 2.96 0.29 -1.57 118.68 128.68 1wae s LEU 77 Ca 0.05 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 1wae s LEU 77 Cb -0.17 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1wae s LEU 77 CO -0.18 0.23 0.16 -0.89 -1.32 0.00 0.00 176.35 174.35 1wae s THR 78 N -0.01 5.16 -0.21 3.68 2.01 -0.70 -1.01 115.64 124.56 1wae s THR 78 Ca 0.01 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1wae s THR 78 Cb -0.13 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1wae s THR 78 CO 0.03 0.30 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.01 1wae s LEU 79 N 1.45 3.02 -0.13 4.42 2.96 -0.70 -2.16 118.68 127.55 1wae s LEU 79 Ca 0.07 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1wae s LEU 79 Cb -0.15 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1wae s LEU 79 CO 0.07 0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 1wae s VAL 80 N 1.31 3.05 -0.47 1.68 1.01 -0.71 -2.22 120.40 124.06 1wae s VAL 80 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1wae s VAL 80 Cb -0.14 -2.28 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1wae s VAL 80 CO -0.01 0.52 0.21 0.21 0.00 0.00 0.00 175.10 176.03 1wae s ASN 81 N 0.34 4.57 0.71 3.32 2.47 -0.51 -1.73 114.94 124.11 1wae s ASN 81 Ca -0.11 -2.70 -0.16 0.00 0.42 0.00 0.00 52.86 50.31 1wae s ASN 81 Cb -0.16 -1.66 0.02 0.00 -1.45 0.00 0.00 41.25 38.00 1wae s ASN 81 CO 0.06 -0.30 1.24 -2.84 -3.72 0.00 0.00 177.10 171.53 1wae s PRO 82 N 0.15 2.25 0.64 0.43 0.02 -1.26 0.12 135.00 137.35 1wae s PRO 82 Ca 0.15 1.87 0.34 0.00 0.02 0.00 0.00 61.00 63.38 1wae s PRO 82 Cb -0.23 -1.83 1.89 0.00 0.02 0.00 0.00 34.50 34.35 1wae s PRO 82 CO -0.03 -1.78 2.12 0.00 -0.33 0.00 0.00 177.00 176.99 1wae h ALA 83 N -0.04 1.40 0.00 -1.55 0.00 -1.90 -1.70 119.26 115.47 1wae h ALA 83 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wae h ALA 83 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wae h ALA 83 CO 0.51 -0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.78 1wae n THR 84 N -3.27 0.66 -2.48 0.00 -2.24 -1.26 -4.78 114.28 100.91 1wae n THR 84 Ca -0.01 0.15 -0.27 0.00 -2.27 0.00 0.00 64.05 61.65 1wae n THR 84 Cb 0.27 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1wae n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wae s ASN 85 N -3.17 5.79 -0.06 3.42 0.01 -0.64 -5.00 114.94 115.29 1wae s ASN 85 Ca 0.09 0.76 0.11 0.00 -0.71 0.00 0.00 52.86 53.11 1wae s ASN 85 Cb 0.13 -1.85 -0.16 0.00 0.41 0.00 0.00 41.25 39.78 1wae s ASN 85 CO 0.37 -0.91 0.15 0.00 -1.51 0.00 0.00 177.10 175.20 1wae n ALA 86 N -2.47 2.09 -2.76 0.60 0.00 -1.26 -4.79 120.51 111.92 1wae n ALA 86 Ca 0.03 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.74 1wae n ALA 86 Cb 0.57 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1wae n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wae s MET 87 N -2.55 2.72 0.60 0.00 -1.94 -1.26 -4.91 119.30 111.96 1wae s MET 87 Ca -0.05 -1.11 -0.10 0.00 -1.71 0.00 0.00 55.69 52.72 1wae s MET 87 Cb 0.06 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 1wae s MET 87 CO 0.47 0.41 1.00 -1.25 -0.01 0.00 0.00 175.02 175.64 1wae s PRO 88 N -3.59 3.56 0.26 2.03 0.04 -1.26 -4.28 135.00 131.75 1wae s PRO 88 Ca 0.32 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.99 1wae s PRO 88 Cb -0.08 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wae s PRO 88 CO 0.23 -0.54 0.37 0.72 0.04 0.00 0.00 177.00 177.82 1wae n HIS 89 N -2.69 -1.24 -3.08 0.56 8.25 -0.76 -4.95 115.22 111.31 1wae n HIS 89 Ca 0.05 -1.66 0.00 0.00 -0.26 0.00 0.00 57.72 55.86 1wae n HIS 89 Cb 0.54 0.42 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1wae n HIS 89 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wae n ASN 90 N -1.73 0.00 -3.78 0.41 0.23 -1.26 -0.44 115.26 108.70 1wae n ASN 90 Ca -0.00 -0.71 -0.13 0.00 -0.53 0.00 0.00 54.58 53.21 1wae n ASN 90 Cb 0.42 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.01 1wae n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wae s VAL 91 N -2.63 -0.00 -0.17 3.53 0.11 -1.26 -4.31 120.40 115.67 1wae s VAL 91 Ca 0.00 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1wae s VAL 91 Cb 0.00 -0.37 0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1wae s VAL 91 CO 0.00 0.01 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.08 1wae s ASP 92 N 0.25 2.91 -0.31 3.54 -1.08 0.05 -0.14 116.67 121.90 1wae s ASP 92 Ca -0.01 -0.67 -0.13 0.00 -0.52 0.00 0.00 52.55 51.22 1wae s ASP 92 Cb -0.03 -1.01 -0.03 0.00 -1.46 0.00 0.00 42.92 40.39 1wae s ASP 92 CO -0.01 -0.16 0.28 -0.36 0.52 0.00 0.00 175.17 175.44 1wae s PHE 93 N 1.57 3.22 -0.10 -5.34 0.08 -0.11 -1.17 117.98 116.13 1wae s PHE 93 Ca 0.01 0.06 0.30 0.00 0.12 0.00 0.00 56.93 57.42 1wae s PHE 93 Cb -0.15 -2.51 1.30 0.00 -0.57 0.00 0.00 43.02 41.09 1wae s PHE 93 CO -0.08 -0.29 1.89 0.45 -0.10 0.00 0.00 175.22 177.09 1wae h HIS 94 N 8.39 0.00 -0.00 0.36 3.86 -1.46 -2.06 115.15 124.23 1wae h HIS 94 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1wae h HIS 94 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1wae h HIS 94 CO 0.72 0.00 -0.00 0.41 0.86 0.00 0.00 177.93 179.92 1wae n GLY 95 N -0.17 -1.18 3.82 2.45 0.00 -1.26 -4.90 105.19 103.95 1wae n GLY 95 Ca 0.01 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1wae n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wae s ALA 96 N -2.38 3.71 -0.25 4.61 0.00 -0.77 -4.66 121.76 122.01 1wae s ALA 96 Ca 0.35 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1wae s ALA 96 Cb 0.21 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1wae s ALA 96 CO 0.43 0.08 -0.10 0.99 0.00 0.00 0.00 175.76 177.17 1wae s THR 97 N -2.28 2.49 0.00 0.00 2.01 -1.26 -4.73 115.64 111.87 1wae s THR 97 Ca 0.38 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1wae s THR 97 Cb -0.06 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1wae s THR 97 CO 0.25 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1wae n GLY 98 N 4.57 2.90 3.88 4.40 0.00 -1.26 -4.97 105.19 114.70 1wae n GLY 98 Ca -0.16 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 1wae n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wae n ALA 99 N 0.14 -1.31 -3.61 4.61 0.00 -1.26 -1.16 120.51 117.91 1wae n ALA 99 Ca 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 1wae n ALA 99 Cb 0.00 -4.51 0.07 0.00 0.00 0.00 0.00 19.45 15.01 1wae n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wae n LEU 100 N -4.71 -3.42 0.00 0.00 4.77 -1.26 -1.73 117.00 110.65 1wae n LEU 100 Ca 0.03 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1wae n LEU 100 Cb 0.53 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 1wae n LEU 100 CO 0.74 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1wae n GLY 101 N -1.61 0.37 0.00 -0.72 0.00 -0.31 -2.75 105.19 100.18 1wae n GLY 101 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1wae n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wae n GLY 102 N -1.46 0.91 0.28 -0.02 0.00 -0.71 -0.94 105.19 103.26 1wae n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wae n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wae h ALA 103 N 0.00 1.02 0.00 4.61 0.00 -0.34 -2.03 119.26 122.52 1wae h ALA 103 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wae h ALA 103 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wae h ALA 103 CO 0.00 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1wae n LYS 104 N -4.74 0.08 -0.02 0.00 4.76 -1.16 -2.67 118.16 114.40 1wae n LYS 104 Ca 0.11 0.40 0.01 0.00 -2.87 0.00 0.00 58.31 55.96 1wae n LYS 104 Cb 0.20 -1.68 0.02 0.00 -1.84 0.00 0.00 35.03 31.73 1wae n LYS 104 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1wae n LEU 105 N -1.83 1.95 -0.47 -0.35 4.77 -0.79 -4.60 117.00 115.67 1wae n LEU 105 Ca 0.02 -1.79 0.04 0.00 -0.03 0.00 0.00 56.01 54.25 1wae n LEU 105 Cb 0.14 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1wae n LEU 105 CO 0.12 0.48 0.35 0.35 -1.33 0.00 0.00 177.39 177.36 1wae n THR 106 N -0.24 0.83 -2.01 -5.08 -2.24 -1.04 -4.81 114.28 99.69 1wae n THR 106 Ca 0.02 -1.14 -0.43 0.00 -2.27 0.00 0.00 64.05 60.22 1wae n THR 106 Cb 0.23 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1wae n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wae s ASN 107 N -1.93 5.99 -0.15 3.42 0.01 -1.23 -4.16 114.94 116.89 1wae s ASN 107 Ca 0.18 1.40 0.01 0.00 -0.71 0.00 0.00 52.86 53.73 1wae s ASN 107 Cb 0.17 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.32 1wae s ASN 107 CO -0.01 -1.61 -0.16 0.68 -1.51 0.00 0.00 177.10 174.48 1wae s VAL 108 N 6.53 1.72 0.68 1.60 -7.23 0.42 -4.98 120.40 119.16 1wae s VAL 108 Ca 0.79 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 1wae s VAL 108 Cb -0.23 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1wae s VAL 108 CO 0.33 0.48 1.06 0.20 -0.31 0.00 0.00 175.10 176.87 1wae s ASN 109 N 1.36 5.59 0.12 4.85 0.01 -1.26 -1.83 114.94 123.78 1wae s ASN 109 Ca 0.03 1.37 -0.33 0.00 -0.71 0.00 0.00 52.86 53.22 1wae s ASN 109 Cb -0.13 -2.26 -0.13 0.00 0.41 0.00 0.00 41.25 39.14 1wae s ASN 109 CO -0.10 -1.27 1.71 -2.65 -1.51 0.00 0.00 177.10 173.27 1wae n PRO 110 N -3.00 2.41 -0.05 -0.60 -0.02 -1.26 -1.73 135.00 130.75 1wae n PRO 110 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1wae n PRO 110 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1wae n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wae n GLY 111 N 3.84 0.70 3.60 -1.23 0.00 0.33 -4.67 105.19 107.76 1wae n GLY 111 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1wae n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wae s GLU 112 N -0.95 1.93 0.22 1.61 2.02 -0.71 -4.89 118.70 117.93 1wae s GLU 112 Ca 0.00 -2.10 -0.14 0.00 0.02 0.00 0.00 54.97 52.76 1wae s GLU 112 Cb 0.00 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1wae s GLU 112 CO 0.00 -0.09 0.47 1.14 0.02 0.00 0.00 175.26 176.79 1wae s GLN 113 N -3.75 1.46 0.24 1.61 -2.07 -1.26 -1.43 119.66 114.47 1wae s GLN 113 Ca 0.33 -1.14 -0.15 0.00 -1.82 0.00 0.00 55.36 52.58 1wae s GLN 113 Cb 0.09 0.47 0.01 0.00 -1.09 0.00 0.00 33.01 32.49 1wae s GLN 113 CO 0.17 -0.60 0.53 0.00 -1.32 0.00 0.00 175.29 174.07 1wae s ALA 114 N -3.97 -0.58 -0.04 2.60 0.00 -0.94 -5.00 121.76 113.82 1wae s ALA 114 Ca 0.18 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1wae s ALA 114 Cb -0.00 0.97 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1wae s ALA 114 CO 0.05 -0.88 0.02 0.99 0.00 0.00 0.00 175.76 175.94 1wae s THR 115 N -3.97 0.09 0.01 0.00 2.01 -1.26 -1.72 115.64 110.80 1wae s THR 115 Ca 0.17 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.45 1wae s THR 115 Cb -0.02 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1wae s THR 115 CO 0.06 0.16 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.67 1wae s LEU 116 N 1.41 2.10 -0.02 4.42 2.96 -0.18 -4.97 118.68 124.40 1wae s LEU 116 Ca -0.05 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1wae s LEU 116 Cb -0.13 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1wae s LEU 116 CO -0.03 0.28 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.50 1wae s ARG 117 N -0.88 1.55 0.03 1.98 3.52 -1.26 -0.55 118.95 123.33 1wae s ARG 117 Ca 0.10 -0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 54.96 1wae s ARG 117 Cb -0.10 -1.46 0.01 0.00 -1.56 0.00 0.00 34.95 31.84 1wae s ARG 117 CO 0.00 0.36 0.21 -0.59 -0.81 0.00 0.00 175.30 174.48 1wae s PHE 118 N -0.33 0.00 -0.13 5.12 -0.12 -0.54 -5.00 117.98 116.99 1wae s PHE 118 Ca 0.05 -0.15 -0.22 0.00 -0.05 0.00 0.00 56.93 56.55 1wae s PHE 118 Cb -0.08 -0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1wae s PHE 118 CO -0.00 -0.41 0.67 0.21 -0.05 0.00 0.00 175.22 175.64 1wae s LYS 119 N -2.22 4.33 -1.28 1.99 2.20 -1.26 -0.67 119.74 122.83 1wae s LYS 119 Ca -0.08 0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 56.18 1wae s LYS 119 Cb -0.03 -3.51 0.14 0.00 -1.51 0.00 0.00 37.83 32.93 1wae s LYS 119 CO -0.02 -0.08 1.76 0.00 -0.36 0.00 0.00 175.35 176.65 1wae n ALA 120 N 4.40 4.68 1.09 3.13 0.00 -0.42 -4.75 120.51 128.64 1wae n ALA 120 Ca -0.01 -4.19 0.08 0.00 0.00 0.00 0.00 53.44 49.33 1wae n ALA 120 Cb 0.50 -3.15 0.28 0.00 0.00 0.00 0.00 19.45 17.09 1wae n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wae n ASP 121 N 5.25 1.71 -3.90 0.00 5.75 -1.26 -1.70 116.55 122.41 1wae n ASP 121 Ca 0.41 -1.83 -0.19 0.00 -0.01 0.00 0.00 54.79 53.17 1wae n ASP 121 Cb 0.40 -0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.17 1wae n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wae s ARG 122 N -1.68 0.78 0.45 0.11 0.52 -1.26 -4.82 118.95 113.04 1wae s ARG 122 Ca 0.28 -0.11 -0.21 0.00 -0.52 0.00 0.00 55.73 55.18 1wae s ARG 122 Cb 0.15 -0.78 -0.10 0.00 0.52 0.00 0.00 34.95 34.73 1wae s ARG 122 CO 0.21 -0.06 0.98 -1.54 0.02 0.00 0.00 175.30 174.91 1wae s SER 123 N 0.81 6.76 0.00 0.23 1.04 -1.26 -4.79 113.70 116.48 1wae s SER 123 Ca -0.11 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1wae s SER 123 Cb -0.14 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1wae s SER 123 CO 0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1wae n GLY 124 N -0.58 1.02 3.74 7.32 0.00 -0.38 -3.40 105.19 112.91 1wae n GLY 124 Ca 0.08 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1wae n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wae s THR 125 N -1.00 5.30 -0.02 2.61 -4.23 0.48 -0.27 115.64 118.50 1wae s THR 125 Ca 0.00 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1wae s THR 125 Cb 0.00 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.21 1wae s THR 125 CO 0.00 0.40 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.02 1wae s PHE 126 N 0.36 1.07 0.42 3.99 0.40 0.25 -4.38 117.98 120.09 1wae s PHE 126 Ca 0.17 -0.26 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 1wae s PHE 126 Cb -0.13 -0.73 -0.09 0.00 0.51 0.00 0.00 43.02 42.58 1wae s PHE 126 CO 0.04 -0.09 1.04 0.08 0.70 0.00 0.00 175.22 177.00 1wae s VAL 127 N 0.05 3.78 0.13 -0.44 1.01 -1.26 -0.57 120.40 123.10 1wae s VAL 127 Ca -0.01 1.29 0.10 0.00 0.00 0.00 0.00 61.98 63.36 1wae s VAL 127 Cb -0.08 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1wae s VAL 127 CO 0.00 -0.07 -0.23 -0.72 0.00 0.00 0.00 175.10 174.08 1wae s TYR 128 N -1.77 2.40 0.21 5.22 -0.85 -0.17 -1.18 117.35 121.20 1wae s TYR 128 Ca 0.60 -0.33 -0.08 0.00 -0.52 0.00 0.00 57.07 56.74 1wae s TYR 128 Cb -0.20 -1.28 -0.02 0.00 0.38 0.00 0.00 41.96 40.85 1wae s TYR 128 CO 0.25 0.37 0.31 0.14 -1.52 0.00 0.00 175.55 175.10 1wae s VAL 129 N -1.15 0.01 -0.23 -3.49 -7.23 -0.32 -2.00 120.40 105.99 1wae s VAL 129 Ca 0.16 -1.63 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1wae s VAL 129 Cb -0.10 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1wae s VAL 129 CO 0.08 -0.07 0.16 0.00 -0.31 0.00 0.00 175.10 174.96 1wae n ALA 131 N 4.20 3.06 -2.18 0.00 0.00 -1.26 -4.31 120.51 120.02 1wae n ALA 131 Ca -0.15 -3.79 -0.41 0.00 0.00 0.00 0.00 53.44 49.09 1wae n ALA 131 Cb 0.52 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 1wae n ALA 131 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1wae s PRO 132 N -1.13 4.70 0.11 0.00 0.02 -1.26 -4.89 135.00 132.54 1wae s PRO 132 Ca 0.34 1.50 -0.34 0.00 0.02 0.00 0.00 61.00 62.51 1wae s PRO 132 Cb 0.09 -3.35 -0.14 0.00 0.02 0.00 0.00 34.50 31.12 1wae s PRO 132 CO -0.13 0.22 1.58 -1.91 -0.33 0.00 0.00 177.00 176.43 1wae n GLU 133 N 2.59 1.98 0.00 5.54 2.13 -1.26 -1.03 120.64 130.58 1wae n GLU 133 Ca 0.02 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1wae n GLU 133 Cb 0.48 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1wae n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wae n GLY 134 N 3.40 2.79 1.64 8.31 0.00 -1.26 -4.84 105.19 115.23 1wae n GLY 134 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1wae n GLY 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wae n MET 135 N -2.00 1.42 0.38 1.61 2.81 -0.20 -4.97 117.12 116.17 1wae n MET 135 Ca 0.00 -3.05 -0.18 0.00 -1.81 0.00 0.00 57.70 52.66 1wae n MET 135 Cb 0.00 -1.18 -0.09 0.00 -0.71 0.00 0.00 33.22 31.25 1wae n MET 135 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1wae h VAL 136 N 4.26 0.25 -0.93 2.03 2.07 -1.84 -3.01 116.25 119.08 1wae h VAL 136 Ca -0.05 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1wae h VAL 136 Cb 1.46 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1wae h VAL 136 CO 0.20 0.01 0.61 -0.65 0.02 0.00 0.00 177.57 177.76 1wae h PRO 137 N -1.04 1.17 -0.44 1.57 0.11 -1.92 -2.67 132.00 128.79 1wae h PRO 137 Ca -0.10 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.97 1wae h PRO 137 Cb 0.75 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1wae h PRO 137 CO 0.16 0.78 0.25 2.35 -0.21 0.00 0.00 178.00 181.33 1wae h TRP 138 N 1.21 0.46 -0.56 0.65 7.01 -1.96 -0.68 115.95 122.09 1wae h TRP 138 Ca 0.36 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.31 1wae h TRP 138 Cb -0.07 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1wae h TRP 138 CO -0.01 0.26 0.11 0.45 -2.79 0.00 0.00 178.44 176.46 1wae h HIS 139 N 0.50 0.97 0.18 2.65 3.86 -1.36 -1.58 115.15 120.37 1wae h HIS 139 Ca 0.18 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1wae h HIS 139 Cb 0.04 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.24 1wae h HIS 139 CO -0.08 0.85 -0.09 0.28 0.86 0.00 0.00 177.93 179.75 1wae h VAL 140 N 0.81 0.91 0.00 2.45 2.07 -1.27 -2.56 116.25 118.66 1wae h VAL 140 Ca 0.17 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1wae h VAL 140 Cb 0.39 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1wae h VAL 140 CO 0.01 0.11 -0.07 -0.37 0.02 0.00 0.00 177.57 177.27 1wae h VAL 141 N -0.48 0.21 0.00 2.57 -1.51 -1.12 -2.14 116.25 113.78 1wae h VAL 141 Ca -0.03 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1wae h VAL 141 Cb 0.37 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1wae h VAL 141 CO 0.04 0.06 0.00 -1.20 -1.23 0.00 0.00 177.57 175.25 1wae n SER 142 N -3.25 0.00 0.00 4.19 7.64 -0.60 -4.78 113.62 116.82 1wae n SER 142 Ca -0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wae n SER 142 Cb 0.28 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1wae n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wae n GLY 143 N 1.22 0.32 2.94 0.23 0.00 -0.81 -1.77 105.19 107.32 1wae n GLY 143 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1wae n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wae n MET 144 N 0.00 3.52 -3.74 1.61 2.81 -0.97 -4.61 117.12 115.74 1wae n MET 144 Ca 0.00 -3.48 -0.10 0.00 -1.81 0.00 0.00 57.70 52.31 1wae n MET 144 Cb 0.00 -2.98 -0.06 0.00 -0.71 0.00 0.00 33.22 29.47 1wae n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1wae s SER 145 N 1.37 -0.10 0.00 7.83 1.04 -1.26 -2.40 113.70 120.17 1wae s SER 145 Ca 0.41 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wae s SER 145 Cb 0.08 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1wae s SER 145 CO -0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1wae n GLY 146 N 0.10 1.80 3.16 7.32 0.00 -0.85 -0.95 105.19 115.79 1wae n GLY 146 Ca -0.17 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1wae n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wae s THR 147 N -2.81 1.37 -0.23 2.61 2.01 -1.26 -1.00 115.64 116.33 1wae s THR 147 Ca 0.00 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 1wae s THR 147 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 1wae s THR 147 CO 0.00 0.39 0.04 -0.22 -0.69 0.00 0.00 174.62 174.13 1wae s LEU 148 N -0.41 3.35 -0.25 4.42 2.96 0.27 -1.55 118.68 127.47 1wae s LEU 148 Ca 0.07 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1wae s LEU 148 Cb -0.07 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1wae s LEU 148 CO -0.01 0.01 0.10 -0.32 -1.32 0.00 0.00 176.35 174.82 1wae s MET 149 N 1.31 3.78 -0.41 1.98 -2.45 0.11 -0.58 119.30 123.04 1wae s MET 149 Ca 0.04 -0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 53.98 1wae s MET 149 Cb -0.15 -3.41 0.07 0.00 1.25 0.00 0.00 34.83 32.60 1wae s MET 149 CO 0.02 -0.13 0.24 0.08 1.05 0.00 0.00 175.02 176.27 1wae s VAL 150 N 1.51 4.13 0.28 10.11 1.01 0.63 -1.82 120.40 136.25 1wae s VAL 150 Ca 0.06 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 1wae s VAL 150 Cb -0.15 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1wae s VAL 150 CO 0.05 -0.47 0.72 -0.76 0.00 0.00 0.00 175.10 174.65 1wae s LEU 151 N 1.41 4.17 0.44 3.92 1.43 -0.76 -1.25 118.68 128.05 1wae s LEU 151 Ca 0.03 1.32 -0.24 0.00 -1.03 0.00 0.00 54.13 54.20 1wae s LEU 151 Cb -0.22 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 1wae s LEU 151 CO 0.02 -0.11 1.29 -2.84 0.23 0.00 0.00 176.35 174.94 1wae s PRO 152 N -2.59 3.76 0.41 1.29 0.02 -1.26 -0.82 135.00 135.81 1wae s PRO 152 Ca 0.50 2.09 0.15 0.00 0.02 0.00 0.00 61.00 63.76 1wae s PRO 152 Cb -0.13 -2.58 1.02 0.00 0.02 0.00 0.00 34.50 32.83 1wae s PRO 152 CO 0.19 -0.65 1.90 0.00 -0.33 0.00 0.00 177.00 178.11 1wae h ARG 153 N 2.30 0.45 -0.64 5.54 3.08 -1.90 -0.65 114.38 122.57 1wae h ARG 153 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1wae h ARG 153 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1wae h ARG 153 CO 0.61 0.30 0.00 -3.47 -1.07 0.00 0.00 179.97 176.34 1wae n ASP 154 N -4.50 4.65 -0.01 7.04 4.64 -1.26 -1.78 116.55 125.33 1wae n ASP 154 Ca 0.16 -2.59 0.00 0.00 -1.38 0.00 0.00 54.79 50.98 1wae n ASP 154 Cb 0.54 -0.60 -0.00 0.00 -1.04 0.00 0.00 41.12 40.02 1wae n ASP 154 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wae n GLY 155 N 0.81 -1.37 3.80 0.27 0.00 -0.25 -4.64 105.19 103.80 1wae n GLY 155 Ca 0.23 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1wae n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wae s LEU 156 N -2.49 3.71 0.05 0.99 1.43 -1.26 -4.62 118.68 116.50 1wae s LEU 156 Ca 0.00 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 1wae s LEU 156 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 1wae s LEU 156 CO 0.00 -0.90 -0.07 -0.54 0.23 0.00 0.00 176.35 175.07 1wae s LYS 157 N -3.57 0.58 0.78 1.70 -0.14 -1.26 -1.70 119.74 116.12 1wae s LYS 157 Ca 0.65 -0.88 -0.05 0.00 -1.36 0.00 0.00 55.97 54.34 1wae s LYS 157 Cb -0.16 -0.24 0.14 0.00 -1.68 0.00 0.00 37.83 35.89 1wae s LYS 157 CO 0.26 0.03 1.07 0.16 -0.76 0.00 0.00 175.35 176.11 1wae s ASP 158 N -1.90 4.11 0.60 2.83 -4.77 0.22 -4.73 116.67 113.02 1wae s ASP 158 Ca -0.06 -0.09 0.30 0.00 -3.30 0.00 0.00 52.55 49.40 1wae s ASP 158 Cb -0.06 -0.25 1.74 0.00 -1.09 0.00 0.00 42.92 43.26 1wae s ASP 158 CO -0.01 -2.03 2.15 -0.65 0.70 0.00 0.00 175.17 175.33 1wae h PRO 159 N -0.80 0.00 -0.08 2.11 0.11 -1.90 -0.27 132.00 131.17 1wae h PRO 159 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1wae h PRO 159 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1wae h PRO 159 CO 0.42 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.25 1wae n GLN 160 N -3.75 2.09 -0.50 1.05 3.00 -1.26 -4.95 117.38 113.06 1wae n GLN 160 Ca -0.00 -1.60 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 1wae n GLN 160 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.02 1wae n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wae n GLY 161 N 1.30 0.75 3.81 1.08 0.00 -0.11 -5.06 105.19 106.95 1wae n GLY 161 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1wae n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wae s LYS 162 N -0.50 3.78 0.35 1.61 1.02 -1.26 -4.70 119.74 120.05 1wae s LYS 162 Ca 0.00 1.20 -0.27 0.00 0.02 0.00 0.00 55.97 56.92 1wae s LYS 162 Cb 0.00 -2.10 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 1wae s LYS 162 CO 0.00 -0.43 1.13 -2.14 -0.92 0.00 0.00 175.35 172.99 1wae s PRO 163 N -3.60 4.32 0.17 -1.68 0.02 -1.26 -0.61 135.00 132.35 1wae s PRO 163 Ca 0.64 1.78 0.08 0.00 0.02 0.00 0.00 61.00 63.52 1wae s PRO 163 Cb -0.14 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1wae s PRO 163 CO 0.25 -0.07 -0.18 -0.51 -0.33 0.00 0.00 177.00 176.16 1wae s LEU 164 N -2.08 2.45 0.08 -5.54 1.43 -0.69 -4.80 118.68 109.53 1wae s LEU 164 Ca 0.52 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1wae s LEU 164 Cb -0.30 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1wae s LEU 164 CO 0.38 -0.05 0.31 -1.38 0.23 0.00 0.00 176.35 175.83 1wae s HIS 165 N -2.16 -0.07 0.10 0.29 -3.43 -1.26 -4.11 115.29 104.64 1wae s HIS 165 Ca 0.16 -0.20 0.10 0.00 -0.80 0.00 0.00 55.06 54.33 1wae s HIS 165 Cb -0.05 0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 1wae s HIS 165 CO 0.07 -0.58 -0.26 1.52 -2.00 0.00 0.00 174.74 173.48 1wae s TYR 166 N -3.29 2.29 -0.19 0.38 1.13 -1.26 -4.89 117.35 111.53 1wae s TYR 166 Ca 0.00 -0.39 0.22 0.00 -1.41 0.00 0.00 57.07 55.49 1wae s TYR 166 Cb 0.02 -1.29 -0.14 0.00 -1.10 0.00 0.00 41.96 39.44 1wae s TYR 166 CO -0.08 0.25 0.80 -0.25 -2.51 0.00 0.00 175.55 173.76 1wae n ASP 167 N 1.26 0.47 -3.86 -0.18 8.00 0.77 -4.95 116.55 118.06 1wae n ASP 167 Ca -0.18 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 1wae n ASP 167 Cb 0.53 1.14 -0.08 0.00 -0.02 0.00 0.00 41.12 42.69 1wae n ASP 167 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wae s ARG 168 N -3.41 0.76 0.02 -1.24 3.52 -1.05 -5.00 118.95 112.54 1wae s ARG 168 Ca -0.03 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 1wae s ARG 168 Cb 0.12 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.80 1wae s ARG 168 CO 0.84 -0.23 -0.12 0.00 -0.81 0.00 0.00 175.30 174.99 1wae s ALA 169 N -3.23 0.96 0.05 6.12 0.00 -1.26 -2.12 121.76 122.27 1wae s ALA 169 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1wae s ALA 169 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1wae s ALA 169 CO -0.08 0.18 -0.13 0.71 0.00 0.00 0.00 175.76 176.44 1wae s TYR 170 N -0.68 1.16 -0.08 0.00 2.02 -0.46 -4.16 117.35 115.14 1wae s TYR 170 Ca 0.01 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1wae s TYR 170 Cb -0.07 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 1wae s TYR 170 CO 0.01 0.04 -0.17 -0.08 -1.57 0.00 0.00 175.55 173.77 1wae s THR 171 N -1.07 1.53 -0.12 -0.71 -1.32 -0.11 -1.28 115.64 112.56 1wae s THR 171 Ca -0.01 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1wae s THR 171 Cb -0.09 -1.35 0.02 0.00 -1.51 0.00 0.00 72.50 69.57 1wae s THR 171 CO 0.02 0.44 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.13 1wae s ILE 172 N 0.46 1.25 -0.14 5.08 1.09 0.24 -4.44 121.20 124.73 1wae s ILE 172 Ca -0.15 -0.45 -0.05 0.00 -1.10 0.00 0.00 60.65 58.90 1wae s ILE 172 Cb -0.16 -1.20 -0.04 0.00 -1.06 0.00 0.00 42.46 40.00 1wae s ILE 172 CO 0.06 0.40 0.04 -0.83 -0.10 0.00 0.00 174.94 174.51 1wae s GLY 173 N 1.44 1.90 -0.17 6.18 0.00 -1.26 -1.79 107.32 113.62 1wae s GLY 173 Ca 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 1wae s GLY 173 CO -0.07 -0.18 -0.07 1.85 0.00 0.00 0.00 173.10 174.63 1wae s GLU 174 N -0.14 3.48 -0.24 2.90 2.12 -0.78 -0.69 118.70 125.35 1wae s GLU 174 Ca 0.06 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1wae s GLU 174 Cb -0.12 -2.86 0.04 0.00 0.26 0.00 0.00 34.13 31.45 1wae s GLU 174 CO 0.01 0.08 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.63 1wae s PHE 175 N 0.76 3.09 -0.27 5.30 0.08 -0.14 -4.56 117.98 122.24 1wae s PHE 175 Ca -0.03 -1.96 -0.28 0.00 0.12 0.00 0.00 56.93 54.78 1wae s PHE 175 Cb -0.15 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1wae s PHE 175 CO 0.02 -0.83 1.02 0.16 -0.10 0.00 0.00 175.22 175.49 1wae s ASP 176 N 1.21 6.98 0.09 1.36 -4.77 -1.26 -1.51 116.67 118.77 1wae s ASP 176 Ca -0.03 1.18 0.04 0.00 -3.30 0.00 0.00 52.55 50.43 1wae s ASP 176 Cb -0.17 -2.52 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 1wae s ASP 176 CO -0.07 -0.73 0.04 -0.76 0.70 0.00 0.00 175.17 174.35 1wae s LEU 177 N 3.32 3.62 -0.57 2.11 1.43 -0.04 -4.88 118.68 123.67 1wae s LEU 177 Ca 0.43 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1wae s LEU 177 Cb -0.14 -2.33 0.22 0.00 0.03 0.00 0.00 46.19 43.97 1wae s LEU 177 CO 0.10 0.17 0.58 -1.22 0.23 0.00 0.00 176.35 176.21 1wae n TYR 178 N 0.48 2.07 -2.94 0.29 4.01 -1.26 -0.65 117.16 119.16 1wae n TYR 178 Ca -0.10 -3.95 -0.42 0.00 -0.16 0.00 0.00 57.90 53.27 1wae n TYR 178 Cb 0.52 -0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1wae n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wae s ILE 179 N -1.60 4.86 0.78 -0.72 -1.09 -1.26 -4.73 121.20 117.43 1wae s ILE 179 Ca 0.34 1.41 -0.12 0.00 -2.23 0.00 0.00 60.65 60.05 1wae s ILE 179 Cb 0.09 -4.09 0.06 0.00 -1.58 0.00 0.00 42.46 36.95 1wae s ILE 179 CO -0.10 -0.09 1.13 -2.84 -1.23 0.00 0.00 174.94 171.81 1wae s PRO 180 N 2.80 2.05 0.19 2.79 0.02 -1.26 -4.88 135.00 136.72 1wae s PRO 180 Ca 0.33 1.40 0.10 0.00 0.02 0.00 0.00 61.00 62.85 1wae s PRO 180 Cb -0.15 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1wae s PRO 180 CO 0.08 -1.83 -0.21 0.15 -0.33 0.00 0.00 177.00 174.86 1wae s LYS 181 N -4.52 1.45 0.57 5.54 1.02 -1.26 -1.21 119.74 121.34 1wae s LYS 181 Ca 0.66 -1.51 0.04 0.00 0.02 0.00 0.00 55.97 55.18 1wae s LYS 181 Cb -0.21 -1.65 0.11 0.00 -0.52 0.00 0.00 37.83 35.55 1wae s LYS 181 CO 0.52 0.34 0.79 0.41 -0.92 0.00 0.00 175.35 176.49 1wae n GLY 182 N 0.18 1.31 0.31 -3.33 0.00 -0.07 -4.84 105.19 98.75 1wae n GLY 182 Ca -0.12 -2.12 0.18 0.00 0.00 0.00 0.00 46.02 43.96 1wae n GLY 182 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wae h PRO 183 N 0.00 0.00 -0.01 1.61 0.11 -2.02 -0.38 132.00 131.31 1wae h PRO 183 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1wae h PRO 183 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wae h PRO 183 CO 0.33 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.73 1wae n ASP 184 N -3.45 0.56 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.11 1wae n ASP 184 Ca -0.03 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 1wae n ASP 184 Cb 0.11 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1wae n ASP 184 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wae n GLY 185 N 1.06 0.60 3.90 6.12 0.00 -0.15 -5.03 105.19 111.69 1wae n GLY 185 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1wae n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wae s LYS 186 N -0.03 3.63 0.44 1.61 1.02 -1.26 -4.82 119.74 120.33 1wae s LYS 186 Ca 0.00 -0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.69 1wae s LYS 186 Cb 0.00 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.46 1wae s LYS 186 CO 0.00 0.39 1.25 0.71 -0.92 0.00 0.00 175.35 176.78 1wae s TYR 187 N -1.79 2.79 0.23 3.18 2.02 -1.26 -0.89 117.35 121.62 1wae s TYR 187 Ca 0.42 1.46 -0.23 0.00 -0.37 0.00 0.00 57.07 58.35 1wae s TYR 187 Cb -0.12 -3.57 -0.09 0.00 -0.40 0.00 0.00 41.96 37.79 1wae s TYR 187 CO 0.26 -1.94 0.80 0.15 -1.57 0.00 0.00 175.55 173.25 1wae s LYS 188 N -2.47 4.45 -0.17 -0.62 1.02 -0.35 -4.81 119.74 116.79 1wae s LYS 188 Ca 0.61 1.09 -0.01 0.00 0.02 0.00 0.00 55.97 57.68 1wae s LYS 188 Cb -0.35 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1wae s LYS 188 CO 0.43 0.44 -0.11 0.34 -0.92 0.00 0.00 175.35 175.53 1wae s ASP 189 N -1.45 3.96 -0.04 2.83 3.68 -1.26 -4.79 116.67 119.59 1wae s ASP 189 Ca 0.42 -0.41 0.00 0.00 2.13 0.00 0.00 52.55 54.69 1wae s ASP 189 Cb -0.20 -1.63 -0.03 0.00 -1.45 0.00 0.00 42.92 39.61 1wae s ASP 189 CO 0.24 0.07 -0.02 -0.31 0.13 0.00 0.00 175.17 175.27 1wae s TYR 190 N 0.93 3.05 0.13 -5.34 2.02 -1.26 -5.04 117.35 111.84 1wae s TYR 190 Ca -0.02 0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.67 1wae s TYR 190 Cb -0.15 -1.71 -0.08 0.00 -0.40 0.00 0.00 41.96 39.62 1wae s TYR 190 CO -0.01 0.42 1.37 0.00 -1.57 0.00 0.00 175.55 175.76 1wae h ALA 191 N 4.85 0.42 -2.19 3.71 0.00 -2.00 -3.46 119.26 120.60 1wae h ALA 191 Ca -0.49 -0.58 -0.39 0.00 0.00 0.00 0.00 54.91 53.45 1wae h ALA 191 Cb 1.18 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1wae h ALA 191 CO 0.55 0.70 -0.65 0.95 0.00 0.00 0.00 179.25 180.80 1wae s THR 192 N -3.82 1.04 0.12 0.00 -4.23 -1.26 -5.06 115.64 102.43 1wae s THR 192 Ca -0.09 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.20 1wae s THR 192 Cb 0.09 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1wae s THR 192 CO 0.89 -0.26 1.71 0.25 -0.54 0.00 0.00 174.62 176.67 1wae h LEU 193 N 2.42 0.33 -0.98 4.79 5.85 -1.95 -3.11 115.31 122.65 1wae h LEU 193 Ca -0.39 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.34 1wae h LEU 193 Cb 1.23 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1wae h LEU 193 CO 0.65 0.33 0.62 0.00 -0.34 0.00 0.00 178.44 179.70 1wae h ALA 194 N 1.02 1.43 0.00 1.25 0.00 -1.99 -2.59 119.26 118.37 1wae h ALA 194 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wae h ALA 194 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1wae h ALA 194 CO -0.01 0.30 0.00 0.93 0.00 0.00 0.00 179.25 180.46 1wae h GLU 195 N 1.04 0.00 0.00 0.00 5.08 -1.97 -2.90 114.58 115.83 1wae h GLU 195 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1wae h GLU 195 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1wae h GLU 195 CO -0.23 0.00 -0.01 0.66 -1.00 0.00 0.00 179.01 178.43 1wae h SER 196 N 0.00 0.00 0.45 1.42 4.64 -1.53 -3.41 113.55 115.11 1wae h SER 196 Ca 0.00 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1wae h SER 196 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1wae h SER 196 CO 0.00 0.00 -0.33 0.22 -0.87 0.00 0.00 176.83 175.85 1wae h TYR 197 N 0.00 -0.90 -0.61 4.77 3.20 -1.60 -2.59 116.97 119.24 1wae h TYR 197 Ca 0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1wae h TYR 197 Cb 0.83 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 1wae h TYR 197 CO 0.00 -0.47 0.32 0.78 -1.64 0.00 0.00 178.16 177.14 1wae h GLY 198 N -0.75 0.88 1.02 1.82 0.00 -1.82 -1.77 103.07 102.45 1wae h GLY 198 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1wae h GLY 198 CO 0.02 0.12 0.48 -0.55 0.00 0.00 0.00 176.54 176.61 1wae h ASP 199 N 0.59 1.02 -0.44 0.19 3.32 -1.84 -2.93 116.42 116.32 1wae h ASP 199 Ca 0.28 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1wae h ASP 199 Cb 0.20 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1wae h ASP 199 CO -0.19 0.81 -0.03 0.74 -1.72 0.00 0.00 179.24 178.85 1wae h THR 200 N 1.15 1.27 -0.81 0.35 2.02 -0.99 -2.73 112.91 113.16 1wae h THR 200 Ca 0.29 -1.09 0.08 0.00 0.77 0.00 0.00 66.41 66.46 1wae h THR 200 Cb -0.00 1.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 1wae h THR 200 CO -0.05 0.37 0.47 0.58 0.37 0.00 0.00 175.52 177.27 1wae h VAL 201 N 0.64 0.96 -0.59 3.16 2.07 -1.24 0.91 116.25 122.16 1wae h VAL 201 Ca 0.12 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1wae h VAL 201 Cb 0.54 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1wae h VAL 201 CO 0.03 0.15 0.25 1.56 0.02 0.00 0.00 177.57 179.58 1wae h GLN 202 N 0.83 0.87 -0.00 1.57 1.08 -1.32 -1.62 115.11 116.51 1wae h GLN 202 Ca 0.37 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1wae h GLN 202 Cb 0.28 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1wae h GLN 202 CO -0.21 0.73 0.00 0.28 -0.95 0.00 0.00 178.83 178.68 1wae h VAL 203 N 0.81 1.15 -0.79 -0.54 2.07 -1.20 -3.19 116.25 114.55 1wae h VAL 203 Ca 0.20 -0.43 0.19 0.00 0.82 0.00 0.00 66.70 67.47 1wae h VAL 203 Cb 0.18 1.44 -0.14 0.00 -1.52 0.00 0.00 31.29 31.25 1wae h VAL 203 CO -0.02 0.11 0.05 0.24 0.02 0.00 0.00 177.57 177.98 1wae h MET 204 N -0.18 0.12 0.00 1.57 2.86 -0.55 -1.35 114.93 117.41 1wae h MET 204 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1wae h MET 204 Cb 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1wae h MET 204 CO -0.00 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.05 1wae h ARG 205 N 0.13 0.00 0.00 1.72 3.08 -1.28 0.21 114.38 118.23 1wae h ARG 205 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1wae h ARG 205 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1wae h ARG 205 CO -0.67 0.00 -0.01 0.25 -1.07 0.00 0.00 179.97 178.47 1wae n THR 206 N -2.66 0.13 -1.21 2.04 -2.24 -0.51 -4.93 114.28 104.90 1wae n THR 206 Ca -0.02 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1wae n THR 206 Cb 0.09 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1wae n THR 206 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wae n LEU 207 N -1.67 0.04 -4.24 3.22 4.77 0.06 -4.97 117.00 114.21 1wae n LEU 207 Ca 0.07 0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 1wae n LEU 207 Cb 0.36 -2.46 -0.13 0.00 -2.33 0.00 0.00 43.42 38.87 1wae n LEU 207 CO 0.28 -0.95 -0.28 -0.89 -1.33 0.00 0.00 177.39 174.22 1wae s THR 208 N -1.70 3.55 0.52 -5.08 2.01 -1.26 -5.09 115.64 108.58 1wae s THR 208 Ca 0.00 -1.21 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 1wae s THR 208 Cb 0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.42 1wae s THR 208 CO 0.00 -0.16 1.11 -2.84 -0.69 0.00 0.00 174.62 172.04 1wae s PRO 209 N 1.36 3.49 0.09 4.92 0.02 -1.26 -4.90 135.00 138.71 1wae s PRO 209 Ca -0.03 1.58 0.06 0.00 0.02 0.00 0.00 61.00 62.63 1wae s PRO 209 Cb -0.20 -2.07 -0.23 0.00 0.02 0.00 0.00 34.50 32.03 1wae s PRO 209 CO 0.02 -0.73 1.16 0.66 -0.33 0.00 0.00 177.00 177.78 1wae h SER 210 N 1.37 0.07 -5.00 2.53 4.64 -1.22 -3.47 113.55 112.48 1wae h SER 210 Ca -0.50 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 60.60 1wae h SER 210 Cb 1.25 -0.02 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 1wae h SER 210 CO 0.58 1.07 -0.44 -1.00 -0.87 0.00 0.00 176.83 176.17 1wae s HIS 211 N -2.68 0.00 -0.14 4.77 3.76 -1.20 -4.94 115.29 114.87 1wae s HIS 211 Ca -0.01 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1wae s HIS 211 Cb 0.09 -0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.80 1wae s HIS 211 CO 0.83 -0.32 0.01 0.42 -0.85 0.00 0.00 174.74 174.82 1wae s ILE 212 N -1.51 0.56 0.06 0.60 1.01 -0.39 -0.86 121.20 120.68 1wae s ILE 212 Ca -0.14 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1wae s ILE 212 Cb -0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1wae s ILE 212 CO 0.02 0.04 -0.16 0.68 0.00 0.00 0.00 174.94 175.52 1wae s VAL 213 N 1.87 1.23 -0.08 2.92 -7.23 -0.57 -0.75 120.40 117.79 1wae s VAL 213 Ca 0.02 -1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 1wae s VAL 213 Cb -0.15 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1wae s VAL 213 CO -0.07 -0.09 0.61 -0.36 -0.31 0.00 0.00 175.10 174.88 1wae s PHE 214 N -1.08 3.57 -1.49 2.82 0.08 -1.26 -0.97 117.98 119.65 1wae s PHE 214 Ca 0.01 1.12 -0.12 0.00 0.12 0.00 0.00 56.93 58.07 1wae s PHE 214 Cb -0.09 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 39.73 1wae s PHE 214 CO 0.02 0.15 0.88 0.09 -0.10 0.00 0.00 175.22 176.26 1wae n ASN 215 N 3.61 -4.94 0.00 1.36 4.13 0.14 -3.15 115.26 116.40 1wae n ASN 215 Ca -0.04 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1wae n ASN 215 Cb 0.51 -3.96 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 1wae n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wae n GLY 216 N -1.62 3.28 3.55 7.41 0.00 -1.22 -4.74 105.19 111.85 1wae n GLY 216 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1wae n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wae s LYS 217 N -0.81 0.59 0.08 1.61 -2.85 -1.19 -4.67 119.74 112.50 1wae s LYS 217 Ca 0.00 -0.18 -0.33 0.00 -1.00 0.00 0.00 55.97 54.46 1wae s LYS 217 Cb 0.00 0.27 -0.12 0.00 -2.06 0.00 0.00 37.83 35.92 1wae s LYS 217 CO 0.00 -0.25 1.79 0.28 0.10 0.00 0.00 175.35 177.27 1wae n VAL 218 N -0.08 0.34 -0.95 1.79 0.31 -0.72 -1.84 118.33 117.18 1wae n VAL 218 Ca -0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1wae n VAL 218 Cb 0.60 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1wae n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wae n GLY 219 N 4.08 0.64 0.39 2.92 0.00 -1.26 -4.82 105.19 107.14 1wae n GLY 219 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 1wae n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wae h ALA 220 N 0.00 2.26 -0.93 4.61 0.00 -1.59 -2.69 119.26 120.92 1wae h ALA 220 Ca 0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1wae h ALA 220 Cb 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.37 1wae h ALA 220 CO 0.00 -0.47 -0.36 1.28 0.00 0.00 0.00 179.25 179.71 1wae n LEU 221 N -4.44 5.61 -4.26 0.00 4.77 -1.26 -4.74 117.00 112.67 1wae n LEU 221 Ca 0.14 -4.73 -0.14 0.00 -0.03 0.00 0.00 56.01 51.25 1wae n LEU 221 Cb 0.60 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1wae n LEU 221 CO 0.34 1.98 -0.29 0.42 -1.33 0.00 0.00 177.39 178.51 1wae s THR 222 N -4.81 0.50 0.00 -5.08 -4.23 -1.02 -0.36 115.64 100.64 1wae s THR 222 Ca 0.53 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1wae s THR 222 Cb 0.43 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1wae s THR 222 CO -0.03 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1wae n GLY 223 N -0.32 3.02 0.34 3.99 0.00 -1.26 -1.87 105.19 109.09 1wae n GLY 223 Ca -0.03 -0.24 0.22 0.00 0.00 0.00 0.00 46.02 45.96 1wae n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wae h ALA 224 N -0.85 1.04 -0.58 4.61 0.00 -1.98 -2.34 119.26 119.16 1wae h ALA 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wae h ALA 224 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wae h ALA 224 CO 0.00 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1wae n ASN 225 N -3.04 3.78 -4.54 0.00 3.02 -0.78 -5.01 115.26 108.70 1wae n ASN 225 Ca -0.03 -2.13 -0.35 0.00 -0.03 0.00 0.00 54.58 52.05 1wae n ASN 225 Cb 0.11 -0.43 0.09 0.00 -0.61 0.00 0.00 39.78 38.94 1wae n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wae n ALA 226 N 1.11 -1.04 -1.69 5.41 0.00 -0.88 -4.05 120.51 119.36 1wae n ALA 226 Ca 0.21 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1wae n ALA 226 Cb 0.62 -1.99 0.06 0.00 0.00 0.00 0.00 19.45 18.14 1wae n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wae s LEU 227 N -2.14 2.84 0.06 0.00 1.43 -0.53 -4.88 118.68 115.46 1wae s LEU 227 Ca 0.68 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1wae s LEU 227 Cb -0.32 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 1wae s LEU 227 CO 0.56 -1.59 -0.07 0.42 0.23 0.00 0.00 176.35 175.90 1wae s THR 228 N -3.20 0.54 0.38 5.49 -4.23 -1.26 -1.39 115.64 111.98 1wae s THR 228 Ca 0.59 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1wae s THR 228 Cb -0.13 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 72.87 1wae s THR 228 CO 0.54 -0.54 0.75 0.00 -0.54 0.00 0.00 174.62 174.83 1wae s ALA 229 N -2.04 -0.54 0.03 3.99 0.00 -1.03 -4.95 121.76 117.22 1wae s ALA 229 Ca -0.04 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1wae s ALA 229 Cb -0.05 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1wae s ALA 229 CO -0.01 -0.96 -0.03 -1.59 0.00 0.00 0.00 175.76 173.16 1wae s LYS 230 N -2.36 0.40 0.14 0.00 -2.85 -1.26 -2.19 119.74 111.62 1wae s LYS 230 Ca 0.17 -0.78 -0.34 0.00 -1.00 0.00 0.00 55.97 54.03 1wae s LYS 230 Cb -0.05 0.12 -0.17 0.00 -2.06 0.00 0.00 37.83 35.67 1wae s LYS 230 CO 0.13 -0.06 1.10 0.28 0.10 0.00 0.00 175.35 176.89 1wae n VAL 231 N 1.19 0.81 -0.45 1.79 0.31 -0.67 -1.77 118.33 119.55 1wae n VAL 231 Ca -0.21 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1wae n VAL 231 Cb 0.57 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1wae n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wae n GLY 232 N 1.97 0.74 3.76 2.92 0.00 -0.61 -4.99 105.19 108.97 1wae n GLY 232 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1wae n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wae s GLU 233 N -0.54 3.04 -0.20 1.61 2.12 -0.73 -4.89 118.70 119.10 1wae s GLU 233 Ca 0.00 -0.46 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 1wae s GLU 233 Cb 0.00 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 1wae s GLU 233 CO 0.00 0.66 0.10 0.99 -0.54 0.00 0.00 175.26 176.48 1wae s THR 234 N -1.11 5.06 0.04 -1.70 2.01 -1.26 -1.91 115.64 116.78 1wae s THR 234 Ca 0.20 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.33 1wae s THR 234 Cb -0.12 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1wae s THR 234 CO 0.10 0.43 -0.17 0.68 -0.69 0.00 0.00 174.62 174.97 1wae s VAL 235 N 0.56 2.87 -0.21 3.82 -7.23 -0.41 -0.16 120.40 119.64 1wae s VAL 235 Ca 0.06 -1.15 -0.07 0.00 -1.81 0.00 0.00 61.98 59.01 1wae s VAL 235 Cb -0.12 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1wae s VAL 235 CO 0.00 0.34 0.05 -0.22 -0.31 0.00 0.00 175.10 174.96 1wae s LEU 236 N -1.44 3.51 -0.35 1.32 2.96 -0.90 -1.49 118.68 122.28 1wae s LEU 236 Ca 0.15 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1wae s LEU 236 Cb -0.11 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.73 1wae s LEU 236 CO 0.06 0.07 0.13 -0.76 -1.32 0.00 0.00 176.35 174.53 1wae s LEU 237 N 0.98 4.49 -0.15 -0.68 1.43 0.48 -1.36 118.68 123.87 1wae s LEU 237 Ca 0.03 -1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 51.72 1wae s LEU 237 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1wae s LEU 237 CO 0.03 -0.37 0.47 -0.63 0.23 0.00 0.00 176.35 176.08 1wae s ILE 238 N 1.40 5.18 -0.11 -0.59 1.01 -0.40 -1.86 121.20 125.82 1wae s ILE 238 Ca -0.00 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1wae s ILE 238 Cb -0.20 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1wae s ILE 238 CO 0.02 0.29 -0.09 -2.28 0.00 0.00 0.00 174.94 172.88 1wae s HIS 239 N 0.93 1.55 0.06 3.97 2.46 -0.66 -0.60 115.29 123.00 1wae s HIS 239 Ca 0.24 -0.76 0.08 0.00 0.47 0.00 0.00 55.06 55.10 1wae s HIS 239 Cb -0.15 -1.24 -0.03 0.00 -0.13 0.00 0.00 32.58 31.02 1wae s HIS 239 CO 0.09 -0.49 -0.21 -1.54 -2.47 0.00 0.00 174.74 170.12 1wae s SER 240 N 1.52 3.61 -0.26 9.88 1.04 -0.74 -0.95 113.70 127.80 1wae s SER 240 Ca 0.02 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1wae s SER 240 Cb -0.13 -0.49 0.13 0.00 0.10 0.00 0.00 66.02 65.62 1wae s SER 240 CO -0.07 0.24 0.29 -1.58 0.98 0.00 0.00 173.24 173.11 1wae s GLN 241 N -1.51 0.30 0.10 4.02 -0.44 -0.83 -1.87 119.66 119.43 1wae s GLN 241 Ca 0.14 0.03 0.26 0.00 -2.50 0.00 0.00 55.36 53.29 1wae s GLN 241 Cb -0.10 -0.76 0.99 0.00 -1.64 0.00 0.00 33.01 31.49 1wae s GLN 241 CO 0.05 -0.89 1.80 0.00 0.50 0.00 0.00 175.29 176.75 1wae n ALA 242 N 5.32 2.17 0.00 1.58 0.00 -1.26 -0.16 120.51 128.16 1wae n ALA 242 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wae n ALA 242 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1wae n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wae n ASN 243 N -1.86 2.72 -3.90 0.00 5.15 -1.26 -2.95 115.26 113.16 1wae n ASN 243 Ca 0.06 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.93 1wae n ASN 243 Cb 0.34 0.36 -0.11 0.00 -0.53 0.00 0.00 39.78 39.85 1wae n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1wae s ARG 244 N -1.39 0.36 0.51 1.20 3.52 -1.26 -4.73 118.95 117.16 1wae s ARG 244 Ca 0.00 -0.36 -0.22 0.00 -0.13 0.00 0.00 55.73 55.02 1wae s ARG 244 Cb 0.00 0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.48 1wae s ARG 244 CO 0.00 -0.08 1.23 -0.51 -0.81 0.00 0.00 175.30 175.13 1wae s ASP 245 N -1.13 5.75 0.16 -2.12 1.01 -1.26 -3.95 116.67 115.13 1wae s ASP 245 Ca -0.12 2.46 -0.04 0.00 0.71 0.00 0.00 52.55 55.56 1wae s ASP 245 Cb -0.07 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1wae s ASP 245 CO 0.01 -1.22 0.17 0.28 0.21 0.00 0.00 175.17 174.62 1wae s THR 246 N -1.48 0.06 -0.49 -1.27 -1.32 -0.87 -4.91 115.64 105.35 1wae s THR 246 Ca 0.68 -1.75 0.05 0.00 -1.21 0.00 0.00 61.69 59.46 1wae s THR 246 Cb -0.32 -2.10 0.18 0.00 -1.51 0.00 0.00 72.50 68.74 1wae s THR 246 CO 0.38 -0.28 0.41 -2.11 -2.21 0.00 0.00 174.62 170.81 1wae n ARG 247 N -0.19 0.73 -1.72 7.08 1.85 -1.26 -1.60 116.66 121.55 1wae n ARG 247 Ca -0.04 -3.57 -0.38 0.00 -1.00 0.00 0.00 57.85 52.87 1wae n ARG 247 Cb 0.64 -1.81 0.06 0.00 -1.05 0.00 0.00 32.46 30.30 1wae n ARG 247 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1wae n PRO 248 N 2.42 1.28 -3.68 2.89 -0.02 -1.19 -1.38 135.00 135.32 1wae n PRO 248 Ca 0.27 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1wae n PRO 248 Cb 0.45 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.32 1wae n PRO 248 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1wae s HIS 249 N -1.36 -0.70 -0.44 6.00 2.46 -0.43 -1.05 115.29 119.77 1wae s HIS 249 Ca 0.79 1.54 -0.09 0.00 0.47 0.00 0.00 55.06 57.78 1wae s HIS 249 Cb -0.40 0.32 0.10 0.00 -0.13 0.00 0.00 32.58 32.47 1wae s HIS 249 CO 0.43 -0.36 0.29 -1.17 -2.47 0.00 0.00 174.74 171.46 1wae s LEU 250 N 0.97 5.38 -0.05 8.88 2.96 -1.26 -1.54 118.68 134.02 1wae s LEU 250 Ca -0.05 -1.72 -0.30 0.00 -0.22 0.00 0.00 54.13 51.84 1wae s LEU 250 Cb -0.06 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1wae s LEU 250 CO -0.08 -0.60 1.57 -0.63 -1.32 0.00 0.00 176.35 175.29 1wae s ILE 251 N 1.37 3.62 0.00 6.68 1.01 0.80 -1.11 121.20 133.57 1wae s ILE 251 Ca 0.04 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1wae s ILE 251 Cb -0.24 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1wae s ILE 251 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1wae n GLY 252 N 3.99 0.48 0.00 6.18 0.00 -1.26 -3.50 105.19 111.08 1wae n GLY 252 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wae n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wae n GLY 253 N -2.00 5.43 3.72 -0.02 0.00 -0.27 -5.03 105.19 107.02 1wae n GLY 253 Ca 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1wae n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wae s HIS 254 N 1.12 0.20 -0.49 1.61 0.09 -1.26 -4.79 115.29 111.78 1wae s HIS 254 Ca 0.00 -0.65 -0.17 0.00 -0.00 0.00 0.00 55.06 54.24 1wae s HIS 254 Cb 0.00 0.47 0.07 0.00 -0.00 0.00 0.00 32.58 33.12 1wae s HIS 254 CO 0.00 -1.21 0.48 0.20 -0.00 0.00 0.00 174.74 174.21 1wae s GLY 255 N -3.02 1.94 0.08 -2.22 0.00 -0.37 -4.76 107.32 98.98 1wae s GLY 255 Ca 0.18 -1.98 -0.20 0.00 0.00 0.00 0.00 44.72 42.72 1wae s GLY 255 CO 0.10 1.22 1.56 -0.55 0.00 0.00 0.00 173.10 175.43 1wae h ASP 256 N 8.85 0.31 -3.31 1.64 3.32 -1.63 -1.61 116.42 124.00 1wae h ASP 256 Ca -0.28 -0.25 -0.41 0.00 0.02 0.00 0.00 57.03 56.12 1wae h ASP 256 Cb 1.10 -0.08 -0.38 0.00 0.22 0.00 0.00 39.33 40.20 1wae h ASP 256 CO 0.91 0.47 -0.76 0.26 -1.72 0.00 0.00 179.24 178.41 1wae s TRP 257 N -5.23 0.46 -0.04 4.55 0.52 -1.20 -3.02 118.94 114.98 1wae s TRP 257 Ca -0.14 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 55.97 1wae s TRP 257 Cb 0.07 -0.66 0.01 0.00 -1.15 0.00 0.00 33.47 31.74 1wae s TRP 257 CO 0.72 -0.26 -0.07 0.08 0.02 0.00 0.00 176.95 177.44 1wae s VAL 258 N 1.88 0.67 -0.79 4.03 1.01 0.64 -1.65 120.40 126.19 1wae s VAL 258 Ca 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1wae s VAL 258 Cb -0.12 -0.64 0.20 0.00 0.00 0.00 0.00 36.38 35.82 1wae s VAL 258 CO -0.04 0.24 0.67 0.26 0.00 0.00 0.00 175.10 176.23 1wae s TRP 259 N 0.61 3.70 0.30 5.22 0.51 -0.44 -1.42 118.94 127.43 1wae s TRP 259 Ca -0.09 -2.62 0.03 0.00 -2.12 0.00 0.00 56.10 51.30 1wae s TRP 259 Cb -0.12 -3.43 0.47 0.00 -0.81 0.00 0.00 33.47 29.58 1wae s TRP 259 CO 0.01 -0.86 1.76 1.05 -0.51 0.00 0.00 176.95 178.40 1wae h GLU 260 N 6.91 0.46 0.00 4.98 4.11 -1.87 -1.61 114.58 127.56 1wae h GLU 260 Ca 0.08 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1wae h GLU 260 Cb 0.93 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wae h GLU 260 CO 0.79 0.65 0.00 0.25 0.07 0.00 0.00 179.01 180.76 1wae n THR 261 N -4.15 0.06 -1.52 -1.06 -2.24 -1.26 -4.43 114.28 99.67 1wae n THR 261 Ca -0.00 0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1wae n THR 261 Cb 0.37 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 1wae n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wae n GLY 262 N 1.36 0.55 3.02 3.38 0.00 -0.64 -4.78 105.19 108.07 1wae n GLY 262 Ca 0.08 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1wae n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wae s LYS 263 N -3.15 1.79 0.29 1.61 -0.14 -1.26 -0.39 119.74 118.49 1wae s LYS 263 Ca 0.00 -1.48 0.21 0.00 -1.36 0.00 0.00 55.97 53.34 1wae s LYS 263 Cb 0.00 -2.92 1.08 0.00 -1.68 0.00 0.00 37.83 34.31 1wae s LYS 263 CO 0.00 -0.73 1.65 1.19 -0.76 0.00 0.00 175.35 176.70 1wae n PHE 264 N 4.42 0.72 1.46 3.18 3.72 -1.22 -1.49 117.46 128.26 1wae n PHE 264 Ca -0.06 0.35 0.13 0.00 -0.05 0.00 0.00 57.45 57.82 1wae n PHE 264 Cb 0.42 -1.06 0.73 0.00 -0.94 0.00 0.00 39.48 38.63 1wae n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wae n ALA 265 N -1.77 2.40 -2.91 4.37 0.00 -1.26 -4.76 120.51 116.59 1wae n ALA 265 Ca -0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 1wae n ALA 265 Cb 0.08 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.06 1wae n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wae s ASN 266 N -2.26 6.33 0.32 0.00 0.01 -0.56 -5.08 114.94 113.71 1wae s ASN 266 Ca 0.33 0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 52.47 1wae s ASN 266 Cb 0.18 -1.95 -0.10 0.00 0.41 0.00 0.00 41.25 39.78 1wae s ASN 266 CO 0.35 0.20 1.25 -2.16 -1.51 0.00 0.00 177.10 175.23 1wae s PRO 267 N -2.34 4.41 0.71 -0.60 0.04 -1.26 -4.99 135.00 130.97 1wae s PRO 267 Ca 0.33 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 1wae s PRO 267 Cb -0.13 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1wae s PRO 267 CO 0.25 -0.10 1.08 -1.25 0.04 0.00 0.00 177.00 177.02 1wae s PRO 268 N -1.73 2.85 0.09 0.56 0.04 -1.26 -4.96 135.00 130.58 1wae s PRO 268 Ca 0.48 0.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1wae s PRO 268 Cb -0.38 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1wae s PRO 268 CO 0.50 -1.08 0.25 -0.65 0.04 0.00 0.00 177.00 176.06 1wae s GLN 269 N -5.24 3.47 0.23 4.56 -0.21 -0.50 -4.73 119.66 117.23 1wae s GLN 269 Ca 0.58 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.66 1wae s GLN 269 Cb -0.12 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 1wae s GLN 269 CO 0.53 0.57 -0.03 -0.98 -2.12 0.00 0.00 175.29 173.26 1wae s ARG 270 N -2.63 2.23 -1.62 2.91 1.70 -1.26 -0.26 118.95 120.02 1wae s ARG 270 Ca 0.36 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1wae s ARG 270 Cb -0.13 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.07 1wae s ARG 270 CO 0.27 0.40 0.00 -0.25 -1.08 0.00 0.00 175.30 174.64 1wae n ASP 271 N -0.48 -4.84 -4.76 -2.89 8.00 -0.92 -4.98 116.55 105.68 1wae n ASP 271 Ca -0.08 0.37 -0.38 0.00 0.71 0.00 0.00 54.79 55.41 1wae n ASP 271 Cb 0.57 -3.71 0.01 0.00 -0.02 0.00 0.00 41.12 37.98 1wae n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wae s LEU 272 N -3.52 3.99 -0.19 0.64 1.43 -0.65 -4.76 118.68 115.61 1wae s LEU 272 Ca 0.00 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 55.51 1wae s LEU 272 Cb 0.00 -4.19 -0.21 0.00 0.03 0.00 0.00 46.19 41.82 1wae s LEU 272 CO 0.00 -1.17 0.20 -1.84 0.23 0.00 0.00 176.35 173.78 1wae n GLU 273 N -0.59 0.64 -4.48 1.70 0.28 -1.26 -1.23 120.64 115.70 1wae n GLU 273 Ca 0.08 0.43 -0.20 0.00 -0.16 0.00 0.00 57.16 57.31 1wae n GLU 273 Cb 0.46 -1.71 -0.15 0.00 1.43 0.00 0.00 31.44 31.47 1wae n GLU 273 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1wae s THR 274 N -2.45 0.88 0.51 3.84 2.01 -1.26 -4.24 115.64 114.93 1wae s THR 274 Ca -0.28 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1wae s THR 274 Cb 0.07 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.85 1wae s THR 274 CO 0.64 0.26 0.17 -2.67 -0.69 0.00 0.00 174.62 172.33 1wae n TRP 275 N 2.94 0.37 -3.70 4.92 2.14 -0.21 -5.01 117.44 118.89 1wae n TRP 275 Ca -0.15 -2.33 -0.21 0.00 2.07 0.00 0.00 57.50 56.88 1wae n TRP 275 Cb 0.56 -0.37 -0.18 0.00 -0.81 0.00 0.00 31.31 30.51 1wae n TRP 275 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1wae s PHE 276 N -2.70 0.23 -0.31 -2.67 5.36 -1.26 -3.19 117.98 113.44 1wae s PHE 276 Ca 0.13 0.14 -0.11 0.00 -0.96 0.00 0.00 56.93 56.13 1wae s PHE 276 Cb -0.01 -0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 1wae s PHE 276 CO 0.08 -0.23 0.18 0.42 -1.46 0.00 0.00 175.22 174.22 1wae s ILE 277 N 2.08 4.88 0.30 3.12 -1.09 -0.63 -4.54 121.20 125.33 1wae s ILE 277 Ca 0.05 -0.28 -0.28 0.00 -2.23 0.00 0.00 60.65 57.90 1wae s ILE 277 Cb -0.12 -3.47 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 1wae s ILE 277 CO -0.04 0.07 1.07 -0.13 -1.23 0.00 0.00 174.94 174.68 1wae s ARG 278 N 1.66 4.56 0.21 2.79 0.52 -1.26 -2.06 118.95 125.37 1wae s ARG 278 Ca 0.05 1.69 -0.32 0.00 -0.52 0.00 0.00 55.73 56.63 1wae s ARG 278 Cb -0.17 -3.05 -0.13 0.00 0.52 0.00 0.00 34.95 32.12 1wae s ARG 278 CO 0.08 0.17 1.54 0.41 0.02 0.00 0.00 175.30 177.52 1wae n GLY 279 N 1.03 1.08 1.20 -3.53 0.00 -1.25 -1.88 105.19 101.84 1wae n GLY 279 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1wae n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wae n GLY 280 N 2.92 0.66 3.38 -0.02 0.00 0.78 -4.81 105.19 108.11 1wae n GLY 280 Ca 0.14 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1wae n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wae s SER 281 N -2.60 0.03 0.04 1.61 1.04 -0.79 -4.80 113.70 108.23 1wae s SER 281 Ca 0.00 -1.06 0.08 0.00 0.48 0.00 0.00 55.95 55.45 1wae s SER 281 Cb 0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1wae s SER 281 CO 0.00 -0.96 -0.23 0.00 0.98 0.00 0.00 173.24 173.02 1wae s ALA 282 N -4.05 1.98 0.36 5.32 0.00 -1.26 -1.96 121.76 122.16 1wae s ALA 282 Ca 0.26 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1wae s ALA 282 Cb 0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1wae s ALA 282 CO 0.07 0.46 0.06 0.20 0.00 0.00 0.00 175.76 176.55 1wae s GLY 283 N -1.12 2.29 -0.06 0.00 0.00 -0.13 -3.85 107.32 104.45 1wae s GLY 283 Ca 0.09 -1.84 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 1wae s GLY 283 CO 0.02 -1.88 0.16 0.00 0.00 0.00 0.00 173.10 171.39 1wae s ALA 284 N -3.18 -0.39 0.01 3.20 0.00 -1.02 -1.66 121.76 118.72 1wae s ALA 284 Ca 0.32 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1wae s ALA 284 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wae s ALA 284 CO 0.15 -0.09 -0.11 0.00 0.00 0.00 0.00 175.76 175.71 1wae s ALA 285 N 0.22 0.90 -0.09 0.00 0.00 -0.78 -1.32 121.76 120.68 1wae s ALA 285 Ca -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1wae s ALA 285 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1wae s ALA 285 CO -0.01 0.19 0.01 -0.51 0.00 0.00 0.00 175.76 175.45 1wae s LEU 286 N -0.55 3.62 -0.08 0.00 1.43 -0.66 -0.39 118.68 122.05 1wae s LEU 286 Ca 0.02 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1wae s LEU 286 Cb -0.05 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1wae s LEU 286 CO 0.00 0.36 0.20 -0.47 0.23 0.00 0.00 176.35 176.67 1wae s TYR 287 N -0.78 -0.24 -0.30 0.29 5.04 -0.56 -1.67 117.35 119.14 1wae s TYR 287 Ca 0.12 0.59 -0.11 0.00 -2.44 0.00 0.00 57.07 55.24 1wae s TYR 287 Cb -0.12 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.20 1wae s TYR 287 CO 0.02 -0.16 0.17 0.99 -1.34 0.00 0.00 175.55 175.24 1wae s THR 288 N 0.70 4.98 0.43 4.34 2.01 -1.26 -1.29 115.64 125.55 1wae s THR 288 Ca -0.05 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 1wae s THR 288 Cb -0.06 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 1wae s THR 288 CO -0.04 0.16 1.19 -0.36 -0.69 0.00 0.00 174.62 174.88 1wae s PHE 289 N 1.69 2.94 0.00 4.92 0.08 -0.80 -4.90 117.98 121.92 1wae s PHE 289 Ca 0.06 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1wae s PHE 289 Cb -0.16 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 1wae s PHE 289 CO 0.09 -1.52 0.00 1.63 -0.10 0.00 0.00 175.22 175.32 1wae n LYS 290 N -0.17 3.24 -4.28 0.44 5.02 -1.26 -1.58 118.16 119.57 1wae n LYS 290 Ca 0.06 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 1wae n LYS 290 Cb 0.47 -0.49 -0.14 0.00 -0.02 0.00 0.00 35.03 34.84 1wae n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wae s GLN 291 N -0.67 0.68 0.66 1.97 -1.52 -1.26 -4.66 119.66 114.87 1wae s GLN 291 Ca 0.00 -0.44 -0.09 0.00 -1.95 0.00 0.00 55.36 52.89 1wae s GLN 291 Cb 0.00 -0.64 0.02 0.00 -0.22 0.00 0.00 33.01 32.17 1wae s GLN 291 CO 0.00 0.17 1.01 -1.25 -0.25 0.00 0.00 175.29 174.97 1wae s PRO 292 N -0.55 2.77 0.00 2.91 0.04 -1.26 -4.84 135.00 134.06 1wae s PRO 292 Ca 0.01 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1wae s PRO 292 Cb -0.05 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wae s PRO 292 CO 0.00 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.50 1wae n GLY 293 N -2.84 0.51 3.19 0.56 0.00 0.17 -4.95 105.19 101.83 1wae n GLY 293 Ca 0.06 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1wae n GLY 293 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wae s VAL 294 N -1.91 1.77 0.23 1.61 0.11 -1.26 -0.14 120.40 120.81 1wae s VAL 294 Ca 0.00 -0.88 0.11 0.00 -2.93 0.00 0.00 61.98 58.28 1wae s VAL 294 Cb 0.00 -1.53 -0.05 0.00 -1.53 0.00 0.00 36.38 33.28 1wae s VAL 294 CO 0.00 0.50 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.75 1wae s TYR 295 N 0.16 2.33 -0.14 1.54 1.51 -0.42 -4.98 117.35 117.34 1wae s TYR 295 Ca -0.10 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1wae s TYR 295 Cb -0.15 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 1wae s TYR 295 CO 0.05 0.59 -0.09 0.00 -1.11 0.00 0.00 175.55 174.99 1wae s ALA 296 N -2.01 2.79 -0.30 3.71 0.00 -1.23 -1.94 121.76 122.78 1wae s ALA 296 Ca 0.25 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 1wae s ALA 296 Cb -0.07 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1wae s ALA 296 CO 0.12 0.24 0.06 -0.47 0.00 0.00 0.00 175.76 175.72 1wae s TYR 297 N 0.34 3.18 0.20 0.00 5.04 -0.80 -0.14 117.35 125.17 1wae s TYR 297 Ca -0.08 -1.25 -0.09 0.00 -2.44 0.00 0.00 57.07 53.20 1wae s TYR 297 Cb -0.15 -2.22 -0.01 0.00 0.35 0.00 0.00 41.96 39.92 1wae s TYR 297 CO 0.05 -0.66 0.34 -0.48 -1.34 0.00 0.00 175.55 173.45 1wae s LEU 298 N 1.43 0.74 -0.19 6.97 0.05 -0.59 -0.52 118.68 126.57 1wae s LEU 298 Ca 0.00 -0.96 -0.29 0.00 0.05 0.00 0.00 54.13 52.93 1wae s LEU 298 Cb -0.18 1.29 -0.00 0.00 -2.05 0.00 0.00 46.19 45.25 1wae s LEU 298 CO 0.01 -0.98 1.15 0.21 -0.55 0.00 0.00 176.35 176.19 1wae s ASN 299 N -3.01 7.03 -0.11 1.48 3.84 -0.75 -1.32 114.94 122.10 1wae s ASN 299 Ca 0.22 1.55 0.03 0.00 0.21 0.00 0.00 52.86 54.87 1wae s ASN 299 Cb 0.02 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.41 1wae s ASN 299 CO 0.05 -0.70 1.11 1.57 -2.79 0.00 0.00 177.10 176.34 1wae n HIS 300 N 6.36 0.82 -2.99 0.43 -0.00 -0.48 -4.16 115.22 115.20 1wae n HIS 300 Ca 0.13 -0.61 -0.43 0.00 -0.00 0.00 0.00 57.72 56.80 1wae n HIS 300 Cb 0.46 -0.36 -0.05 0.00 -0.00 0.00 0.00 29.99 30.03 1wae n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1wae s ASN 301 N 0.06 6.24 0.58 0.26 3.84 -1.26 -4.95 114.94 119.70 1wae s ASN 301 Ca 0.17 -0.85 0.34 0.00 0.21 0.00 0.00 52.86 52.73 1wae s ASN 301 Cb 0.14 -2.36 1.81 0.00 -0.55 0.00 0.00 41.25 40.29 1wae s ASN 301 CO 0.04 -1.14 2.19 -0.07 -2.79 0.00 0.00 177.10 175.33 1wae h LEU 302 N 10.47 0.00 -0.14 3.21 3.38 -2.00 -0.83 115.31 129.41 1wae h LEU 302 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1wae h LEU 302 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wae h LEU 302 CO 1.07 0.04 -0.10 0.40 0.09 0.00 0.00 178.44 179.94 1wae h ILE 303 N 0.00 1.33 -0.62 1.22 2.04 -1.92 -0.31 117.51 119.25 1wae h ILE 303 Ca -0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1wae h ILE 303 Cb 0.19 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1wae h ILE 303 CO 0.01 0.35 0.29 -0.33 0.00 0.00 0.00 178.15 178.46 1wae h GLU 304 N -0.05 0.88 0.30 2.37 5.08 -1.56 -0.06 114.58 121.54 1wae h GLU 304 Ca 0.03 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1wae h GLU 304 Cb 0.60 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wae h GLU 304 CO 0.03 0.69 -0.14 0.00 -1.00 0.00 0.00 179.01 178.58 1wae h ALA 305 N 1.44 -0.40 0.11 3.43 0.00 -1.18 -2.02 119.26 120.64 1wae h ALA 305 Ca 0.22 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1wae h ALA 305 Cb 0.11 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wae h ALA 305 CO -0.03 -0.40 -1.48 0.74 0.00 0.00 0.00 179.25 178.09 1wae h PHE 306 N -1.05 0.44 0.16 0.00 0.04 -1.07 -2.45 116.94 113.01 1wae h PHE 306 Ca -0.04 -0.32 -0.36 0.00 2.80 0.00 0.00 57.97 60.05 1wae h PHE 306 Cb 0.41 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1wae h PHE 306 CO 0.02 1.35 -1.87 0.93 -0.60 0.00 0.00 178.31 178.14 1wae h GLU 307 N 0.07 0.34 0.00 1.51 4.39 -1.17 -3.41 114.58 116.30 1wae h GLU 307 Ca -0.22 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 58.90 1wae h GLU 307 Cb 2.00 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.87 1wae h GLU 307 CO 0.17 1.28 -1.55 1.28 -1.16 0.00 0.00 179.01 179.02 1wae n LEU 308 N -3.54 0.36 0.00 1.33 4.77 -0.82 -5.02 117.00 114.08 1wae n LEU 308 Ca -0.28 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1wae n LEU 308 Cb 1.06 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1wae n LEU 308 CO 0.47 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1wae n GLY 309 N 1.28 0.97 2.80 -0.72 0.00 -0.87 -1.26 105.19 107.38 1wae n GLY 309 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1wae n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wae n ALA 310 N 0.00 5.47 -3.63 4.61 0.00 0.07 -4.13 120.51 122.89 1wae n ALA 310 Ca 0.00 -4.13 -0.13 0.00 0.00 0.00 0.00 53.44 49.18 1wae n ALA 310 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 19.45 16.16 1wae n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wae s ALA 311 N 1.56 -1.82 0.23 0.00 0.00 -1.26 -1.80 121.76 118.67 1wae s ALA 311 Ca 0.43 2.04 0.03 0.00 0.00 0.00 0.00 51.96 54.46 1wae s ALA 311 Cb 0.12 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1wae s ALA 311 CO -0.04 -0.33 0.10 0.41 0.00 0.00 0.00 175.76 175.91 1wae n GLY 312 N 2.76 3.55 3.19 0.00 0.00 0.32 -4.61 105.19 110.41 1wae n GLY 312 Ca -0.14 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 1wae n GLY 312 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wae s HIS 313 N -2.51 1.42 -0.12 1.61 3.76 0.51 -1.90 115.29 118.06 1wae s HIS 313 Ca 0.15 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 1wae s HIS 313 Cb 0.01 -0.82 0.01 0.00 1.11 0.00 0.00 32.58 32.89 1wae s HIS 313 CO 0.10 0.08 -0.17 0.42 -0.85 0.00 0.00 174.74 174.32 1wae s ILE 314 N -1.02 1.67 -0.32 0.60 1.01 -0.82 -1.45 121.20 120.88 1wae s ILE 314 Ca 0.02 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1wae s ILE 314 Cb -0.09 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1wae s ILE 314 CO 0.02 0.48 0.21 -0.75 0.00 0.00 0.00 174.94 174.89 1wae s LYS 315 N 0.92 3.53 -0.15 2.79 2.20 -0.48 -1.30 119.74 127.24 1wae s LYS 315 Ca -0.07 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1wae s LYS 315 Cb -0.15 -3.72 -0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1wae s LYS 315 CO -0.01 -0.39 -0.15 0.08 -0.36 0.00 0.00 175.35 174.51 1wae s VAL 316 N 1.70 2.68 0.25 4.02 1.01 0.80 -2.47 120.40 128.39 1wae s VAL 316 Ca 0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1wae s VAL 316 Cb -0.17 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1wae s VAL 316 CO 0.09 0.51 0.48 -1.61 0.00 0.00 0.00 175.10 174.58 1wae s GLU 317 N 0.80 3.57 0.00 2.72 0.41 -0.93 0.45 118.70 125.71 1wae s GLU 317 Ca -0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1wae s GLU 317 Cb -0.15 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 1wae s GLU 317 CO 0.00 0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 1wae n GLY 318 N -0.89 0.98 3.78 -1.39 0.00 -1.26 -1.66 105.19 104.75 1wae n GLY 318 Ca -0.03 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1wae n GLY 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wae s LYS 319 N -1.97 4.00 0.38 1.61 2.20 -1.26 -4.70 119.74 120.00 1wae s LYS 319 Ca 0.00 -0.06 -0.26 0.00 -0.36 0.00 0.00 55.97 55.29 1wae s LYS 319 Cb 0.00 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1wae s LYS 319 CO 0.00 0.43 1.23 -0.46 -0.36 0.00 0.00 175.35 176.19 1wae s TRP 320 N -0.07 3.02 -0.39 4.03 -0.11 -1.26 -4.54 118.94 119.62 1wae s TRP 320 Ca 0.13 1.50 -0.03 0.00 1.22 0.00 0.00 56.10 58.93 1wae s TRP 320 Cb -0.12 -3.52 0.10 0.00 -1.50 0.00 0.00 33.47 28.43 1wae s TRP 320 CO 0.02 -1.59 0.18 1.21 -4.62 0.00 0.00 176.95 172.15 1wae s ASN 321 N -0.90 5.21 0.50 5.86 3.84 -1.26 -4.97 114.94 123.22 1wae s ASN 321 Ca 0.55 -1.94 0.31 0.00 0.21 0.00 0.00 52.86 51.99 1wae s ASN 321 Cb -0.34 -1.81 1.19 0.00 -0.55 0.00 0.00 41.25 39.73 1wae s ASN 321 CO 0.44 -0.51 1.91 0.44 -2.79 0.00 0.00 177.10 176.59 1wae h ASP 322 N 8.03 0.00 -0.13 -4.21 3.32 -1.96 -1.33 116.42 120.14 1wae h ASP 322 Ca -0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1wae h ASP 322 Cb 1.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1wae h ASP 322 CO 0.67 0.00 -0.04 -0.78 -1.72 0.00 0.00 179.24 177.37 1wae h ASP 323 N 0.00 0.26 -0.21 6.45 3.58 -2.02 -3.24 116.42 121.24 1wae h ASP 323 Ca 0.00 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 1wae h ASP 323 Cb 0.57 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1wae h ASP 323 CO 0.00 0.58 0.07 -0.07 -2.88 0.00 0.00 179.24 176.94 1wae h LEU 324 N -0.06 0.31 -7.18 2.28 3.38 -1.90 -3.45 115.31 108.70 1wae h LEU 324 Ca 0.03 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1wae h LEU 324 Cb 0.47 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 40.89 1wae h LEU 324 CO 0.01 0.43 -0.22 -0.32 0.09 0.00 0.00 178.44 178.44 1wae s MET 325 N -5.40 0.47 -0.03 1.13 0.00 -0.54 -5.13 119.30 109.82 1wae s MET 325 Ca -0.14 0.86 0.00 0.00 0.00 0.00 0.00 55.69 56.42 1wae s MET 325 Cb 0.07 0.04 0.02 0.00 0.00 0.00 0.00 34.83 34.97 1wae s MET 325 CO 0.72 -0.15 -0.00 0.21 0.00 0.00 0.00 175.02 175.80 1wae s LYS 326 N 1.32 0.30 -0.48 4.11 2.20 -1.25 -4.14 119.74 121.80 1wae s LYS 326 Ca -0.09 0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 1wae s LYS 326 Cb -0.07 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 35.82 1wae s LYS 326 CO -0.13 -0.11 1.32 -1.14 -0.36 0.00 0.00 175.35 174.93 1wae s GLN 327 N 0.88 3.54 -0.13 4.03 0.74 -1.26 -4.90 119.66 122.57 1wae s GLN 327 Ca -0.09 0.66 -0.27 0.00 0.05 0.00 0.00 55.36 55.71 1wae s GLN 327 Cb -0.12 -4.02 -0.24 0.00 1.10 0.00 0.00 33.01 29.73 1wae s GLN 327 CO -0.01 -1.62 0.76 0.82 -0.55 0.00 0.00 175.29 174.69 1wae h ILE 328 N 6.36 1.68 -3.28 -2.34 1.08 -2.02 -3.44 117.51 115.55 1wae h ILE 328 Ca -0.26 -2.21 -0.52 0.00 -0.39 0.00 0.00 64.86 61.48 1wae h ILE 328 Cb 1.09 3.15 -0.40 0.00 -3.07 0.00 0.00 36.82 37.59 1wae h ILE 328 CO 1.13 0.56 -0.76 -0.54 -0.69 0.00 0.00 178.15 177.84 1wae s LYS 329 N -2.30 0.67 1.02 2.37 1.02 -1.26 -5.14 119.74 116.12 1wae s LYS 329 Ca -0.18 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.26 1wae s LYS 329 Cb -0.03 -2.12 0.16 0.00 -0.52 0.00 0.00 37.83 35.33 1wae s LYS 329 CO 0.65 -0.64 0.85 0.00 -0.92 0.00 0.00 175.35 175.29 1wae n ALA 330 N 5.04 -2.10 -1.68 5.17 0.00 -1.26 -4.84 120.51 120.84 1wae n ALA 330 Ca -0.09 -0.82 -0.45 0.00 0.00 0.00 0.00 53.44 52.08 1wae n ALA 330 Cb 0.47 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 1wae n ALA 330 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wae n PRO 331 N -3.74 2.36 -3.59 0.00 -0.02 -1.26 -4.96 135.00 123.78 1wae n PRO 331 Ca 0.07 0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1wae n PRO 331 Cb 0.54 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1wae n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wae s ALA 332 N 1.59 -1.10 0.40 3.55 0.00 -1.26 -5.15 121.76 119.79 1wae s ALA 332 Ca 0.80 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.64 1wae s ALA 332 Cb -0.62 0.70 -0.11 0.00 0.00 0.00 0.00 23.12 23.08 1wae s ALA 332 CO 0.38 -0.65 0.89 -2.30 0.00 0.00 0.00 175.76 174.08 1wae n PRO 333 N -0.18 1.13 -2.53 0.00 -0.02 -1.26 -4.90 135.00 127.24 1wae n PRO 333 Ca -0.17 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1wae n PRO 333 Cb 0.64 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 1wae n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wae s ILE 334 N -1.29 4.26 -1.13 4.25 1.01 -1.26 -5.25 121.20 121.79 1wae s ILE 334 Ca 0.63 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1wae s ILE 334 Cb -0.59 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.53 1wae s ILE 334 CO 0.57 -0.62 0.28 -2.65 0.00 0.00 0.00 174.94 172.52