#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa0 h ALA 3 N 0.00 1.30 0.00 -1.67 0.00 -2.01 -2.45 119.26 114.44 1wa0 h ALA 3 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1wa0 h ALA 3 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wa0 h ALA 3 CO 0.00 0.41 -0.10 -0.44 0.00 0.00 0.00 179.25 179.12 1wa0 h ASP 4 N 0.00 0.00 0.30 0.00 3.32 -2.04 -2.78 116.42 115.22 1wa0 h ASP 4 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wa0 h ASP 4 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1wa0 h ASP 4 CO 0.04 0.10 -0.42 0.29 -1.72 0.00 0.00 179.24 177.54 1wa0 n LYS 5 N -3.91 0.50 -2.36 3.56 4.01 -0.92 -4.97 118.16 114.06 1wa0 n LYS 5 Ca -0.02 -0.32 -0.32 0.00 -0.51 0.00 0.00 58.31 57.14 1wa0 n LYS 5 Cb 0.20 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.19 1wa0 n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1wa0 s LEU 6 N -2.72 3.60 0.44 -0.35 1.43 -1.05 -5.03 118.68 114.99 1wa0 s LEU 6 Ca 0.18 1.55 -0.25 0.00 -1.03 0.00 0.00 54.13 54.58 1wa0 s LEU 6 Cb 0.18 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.82 1wa0 s LEU 6 CO 0.61 -0.61 1.36 -2.84 0.23 0.00 0.00 176.35 175.11 1wa0 s PRO 7 N -4.15 3.77 0.02 1.29 0.02 -1.26 -4.74 135.00 129.95 1wa0 s PRO 7 Ca 0.58 2.27 -0.00 0.00 0.02 0.00 0.00 61.00 63.87 1wa0 s PRO 7 Cb -0.10 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 1wa0 s PRO 7 CO 0.33 -0.70 0.13 -1.01 -0.33 0.00 0.00 177.00 175.42 1wa0 s HIS 8 N -1.25 3.38 0.12 6.54 3.76 -1.26 -1.51 115.29 125.08 1wa0 s HIS 8 Ca 0.60 0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.79 1wa0 s HIS 8 Cb -0.41 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1wa0 s HIS 8 CO 0.52 0.58 -0.11 -0.08 -0.85 0.00 0.00 174.74 174.80 1wa0 s THR 9 N -1.31 1.13 -0.11 1.30 -1.32 -0.27 -4.93 115.64 110.13 1wa0 s THR 9 Ca 0.27 -1.85 0.03 0.00 -1.21 0.00 0.00 61.69 58.93 1wa0 s THR 9 Cb -0.12 -1.62 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 1wa0 s THR 9 CO 0.19 -0.61 -0.22 -0.54 -2.21 0.00 0.00 174.62 171.22 1wa0 s LYS 10 N -3.20 2.94 -0.11 7.08 1.02 -1.26 -0.49 119.74 125.72 1wa0 s LYS 10 Ca 0.11 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 1wa0 s LYS 10 Cb -0.01 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1wa0 s LYS 10 CO 0.01 0.09 -0.04 0.08 -0.92 0.00 0.00 175.35 174.57 1wa0 s VAL 11 N 0.56 3.87 -0.26 3.17 1.01 -0.74 -4.95 120.40 123.06 1wa0 s VAL 11 Ca -0.14 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1wa0 s VAL 11 Cb -0.17 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1wa0 s VAL 11 CO 0.04 0.55 0.47 -0.89 0.00 0.00 0.00 175.10 175.28 1wa0 s THR 12 N -0.26 5.10 0.52 3.92 2.01 -1.26 -4.70 115.64 120.98 1wa0 s THR 12 Ca 0.04 0.79 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 1wa0 s THR 12 Cb -0.13 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 1wa0 s THR 12 CO 0.02 0.11 1.01 -0.76 -0.69 0.00 0.00 174.62 174.31 1wa0 s LEU 13 N 2.20 3.65 0.19 4.42 1.43 -1.26 -4.85 118.68 124.46 1wa0 s LEU 13 Ca 0.19 1.68 0.09 0.00 -1.03 0.00 0.00 54.13 55.07 1wa0 s LEU 13 Cb -0.16 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 1wa0 s LEU 13 CO 0.09 -0.73 -0.18 0.68 0.23 0.00 0.00 176.35 176.44 1wa0 s VAL 14 N -2.47 1.96 0.22 -1.59 -7.23 -1.26 -5.02 120.40 105.01 1wa0 s VAL 14 Ca 0.61 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1wa0 s VAL 14 Cb -0.12 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.75 1wa0 s VAL 14 CO 0.30 -0.37 1.17 0.00 -0.31 0.00 0.00 175.10 175.89 1wa0 s ALA 15 N -2.28 3.43 0.67 1.32 0.00 -1.26 -4.55 121.76 119.09 1wa0 s ALA 15 Ca 0.20 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 1wa0 s ALA 15 Cb -0.05 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1wa0 s ALA 15 CO 0.08 -0.31 0.65 -2.30 0.00 0.00 0.00 175.76 173.88 1wa0 n PRO 16 N 2.01 0.45 -0.06 0.00 -0.02 -1.26 -2.33 135.00 133.79 1wa0 n PRO 16 Ca 0.02 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1wa0 n PRO 16 Cb 0.45 -1.90 0.37 0.00 -0.02 0.00 0.00 33.50 32.40 1wa0 n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wa0 n PRO 17 N -0.79 1.41 -1.62 0.52 -0.04 -1.26 -5.07 135.00 128.15 1wa0 n PRO 17 Ca 0.11 -0.62 -0.30 0.00 -0.04 0.00 0.00 63.50 62.65 1wa0 n PRO 17 Cb 0.49 -1.30 0.09 0.00 -0.04 0.00 0.00 33.50 32.73 1wa0 n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wa0 s GLN 18 N -1.85 2.17 -0.01 0.54 -1.52 -0.98 -0.86 119.66 117.14 1wa0 s GLN 18 Ca 0.26 0.58 0.04 0.00 -1.95 0.00 0.00 55.36 54.30 1wa0 s GLN 18 Cb 0.13 -1.93 -0.01 0.00 -0.22 0.00 0.00 33.01 30.98 1wa0 s GLN 18 CO 0.21 -1.55 -0.14 0.08 -0.25 0.00 0.00 175.29 173.64 1wa0 s VAL 19 N -3.21 1.11 0.57 1.09 1.01 -1.26 -4.65 120.40 115.07 1wa0 s VAL 19 Ca 0.60 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 1wa0 s VAL 19 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1wa0 s VAL 19 CO 0.54 0.32 1.35 -1.38 0.00 0.00 0.00 175.10 175.93 1wa0 s HIS 20 N -0.28 2.21 0.21 5.22 -3.43 -1.26 -4.89 115.29 113.08 1wa0 s HIS 20 Ca 0.04 1.39 -0.31 0.00 -0.80 0.00 0.00 55.06 55.38 1wa0 s HIS 20 Cb -0.06 -3.80 -0.15 0.00 -1.43 0.00 0.00 32.58 27.14 1wa0 s HIS 20 CO -0.00 -2.98 1.03 -2.30 -2.00 0.00 0.00 174.74 168.49 1wa0 n PRO 21 N -1.23 1.07 -3.49 -0.38 -0.02 -1.26 -4.98 135.00 124.71 1wa0 n PRO 21 Ca 0.12 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1wa0 n PRO 21 Cb 0.45 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1wa0 n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1wa0 s HIS 22 N -0.59 -0.45 0.27 6.00 -3.43 -1.26 -5.07 115.29 110.76 1wa0 s HIS 22 Ca 0.67 0.24 -0.11 0.00 -0.80 0.00 0.00 55.06 55.06 1wa0 s HIS 22 Cb -0.82 0.57 -0.08 0.00 -1.43 0.00 0.00 32.58 30.83 1wa0 s HIS 22 CO 0.56 -0.81 0.63 -1.21 -2.00 0.00 0.00 174.74 171.90 1wa0 s GLU 23 N -3.61 3.86 0.00 -0.38 2.02 -1.26 -5.08 118.70 114.25 1wa0 s GLU 23 Ca 0.03 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1wa0 s GLU 23 Cb -0.01 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1wa0 s GLU 23 CO -0.10 0.24 0.00 1.04 0.02 0.00 0.00 175.26 176.46 1wa0 n GLN 24 N -0.33 0.00 -1.75 1.61 6.02 -1.26 -4.90 117.38 116.77 1wa0 n GLN 24 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1wa0 n GLN 24 Cb 0.53 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.78 1wa0 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wa0 n ALA 25 N -3.00 2.36 -2.84 -1.58 0.00 -1.26 -4.47 120.51 109.71 1wa0 n ALA 25 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 1wa0 n ALA 25 Cb 0.00 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 16.91 1wa0 n ALA 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wa0 s THR 26 N -0.55 0.32 -1.83 0.00 -1.32 -0.42 -4.89 115.64 106.96 1wa0 s THR 26 Ca 0.59 -1.08 0.25 0.00 -1.21 0.00 0.00 61.69 60.24 1wa0 s THR 26 Cb -0.50 -0.54 0.17 0.00 -1.51 0.00 0.00 72.50 70.12 1wa0 s THR 26 CO 0.56 -0.50 1.40 0.29 -2.21 0.00 0.00 174.62 174.17 1wa0 n LYS 27 N 1.38 0.94 -2.19 7.08 5.02 -1.26 -4.74 118.16 124.38 1wa0 n LYS 27 Ca -0.22 -0.64 -0.37 0.00 -2.02 0.00 0.00 58.31 55.06 1wa0 n LYS 27 Cb 0.55 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1wa0 n LYS 27 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wa0 s SER 28 N -2.51 5.98 0.77 4.39 0.15 -1.26 -5.05 113.70 116.17 1wa0 s SER 28 Ca 0.22 2.35 -0.06 0.00 0.70 0.00 0.00 55.95 59.16 1wa0 s SER 28 Cb 0.19 -2.60 0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1wa0 s SER 28 CO 0.54 -1.05 1.07 -0.83 1.20 0.00 0.00 173.24 174.17 1wa0 s GLY 29 N -1.36 1.75 0.50 9.45 0.00 -1.26 -5.04 107.32 111.37 1wa0 s GLY 29 Ca 0.66 -1.35 -0.21 0.00 0.00 0.00 0.00 44.72 43.82 1wa0 s GLY 29 CO 0.35 -0.79 0.92 -1.05 0.00 0.00 0.00 173.10 172.53 1wa0 n PRO 30 N -3.07 1.07 -4.10 2.90 -0.02 -1.26 -5.01 135.00 125.51 1wa0 n PRO 30 Ca 0.13 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1wa0 n PRO 30 Cb 0.60 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 1wa0 n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1wa0 s LYS 31 N -2.27 0.64 -0.41 -0.52 1.02 -1.26 -4.57 119.74 112.37 1wa0 s LYS 31 Ca 0.68 -1.24 -0.21 0.00 0.02 0.00 0.00 55.97 55.22 1wa0 s LYS 31 Cb -0.49 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1wa0 s LYS 31 CO 0.53 -0.11 0.69 0.08 -0.92 0.00 0.00 175.35 175.62 1wa0 s VAL 32 N -3.90 4.79 -0.25 3.17 1.01 -0.57 -1.19 120.40 123.45 1wa0 s VAL 32 Ca 0.08 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1wa0 s VAL 32 Cb 0.08 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1wa0 s VAL 32 CO -0.09 -0.55 0.29 -0.69 0.00 0.00 0.00 175.10 174.06 1wa0 s VAL 33 N 2.94 5.25 -0.19 2.92 1.01 0.51 -1.12 120.40 131.72 1wa0 s VAL 33 Ca 0.26 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1wa0 s VAL 33 Cb -0.14 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1wa0 s VAL 33 CO 0.19 0.24 0.11 -1.61 0.00 0.00 0.00 175.10 174.02 1wa0 s GLU 34 N 1.63 4.12 0.16 2.72 2.02 0.36 -0.78 118.70 128.92 1wa0 s GLU 34 Ca 0.12 -0.26 0.06 0.00 0.02 0.00 0.00 54.97 54.92 1wa0 s GLU 34 Cb -0.15 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1wa0 s GLU 34 CO 0.09 0.29 -0.13 -0.06 0.02 0.00 0.00 175.26 175.47 1wa0 s PHE 35 N 0.35 1.49 -0.00 1.61 0.40 -0.19 -1.79 117.98 119.85 1wa0 s PHE 35 Ca 0.06 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1wa0 s PHE 35 Cb -0.11 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 1wa0 s PHE 35 CO -0.01 0.21 -0.08 0.99 0.70 0.00 0.00 175.22 177.02 1wa0 s THR 36 N -2.74 0.65 0.02 0.64 2.01 -1.26 -1.14 115.64 113.82 1wa0 s THR 36 Ca 0.16 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1wa0 s THR 36 Cb -0.01 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1wa0 s THR 36 CO 0.04 0.14 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.00 1wa0 s MET 37 N -0.30 0.49 -0.15 4.92 -1.94 -0.80 -4.91 119.30 116.61 1wa0 s MET 37 Ca 0.02 -0.45 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 1wa0 s MET 37 Cb -0.04 -0.39 0.01 0.00 2.01 0.00 0.00 34.83 36.43 1wa0 s MET 37 CO -0.00 0.09 -0.21 0.99 -0.01 0.00 0.00 175.02 175.88 1wa0 s THR 38 N -0.68 2.17 0.21 2.05 2.01 -1.26 -1.26 115.64 118.88 1wa0 s THR 38 Ca -0.03 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1wa0 s THR 38 Cb -0.06 -1.88 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 1wa0 s THR 38 CO 0.00 0.54 1.22 -0.63 -0.69 0.00 0.00 174.62 175.06 1wa0 s ILE 39 N 0.86 3.40 -0.14 1.82 1.01 -0.24 -0.67 121.20 127.25 1wa0 s ILE 39 Ca -0.06 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.80 1wa0 s ILE 39 Cb -0.15 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.58 1wa0 s ILE 39 CO -0.03 0.21 -0.00 -0.70 0.00 0.00 0.00 174.94 174.42 1wa0 s GLU 40 N -0.51 0.87 0.05 2.79 2.12 -0.40 -4.47 118.70 119.15 1wa0 s GLU 40 Ca 0.52 -0.25 -0.26 0.00 0.36 0.00 0.00 54.97 55.34 1wa0 s GLU 40 Cb -0.34 -1.66 -0.05 0.00 0.26 0.00 0.00 34.13 32.34 1wa0 s GLU 40 CO 0.39 -0.45 0.81 -1.21 -0.54 0.00 0.00 175.26 174.26 1wa0 s GLU 41 N 1.84 4.53 -0.01 4.30 2.02 -1.26 -1.60 118.70 128.52 1wa0 s GLU 41 Ca 0.02 1.15 -0.28 0.00 0.02 0.00 0.00 54.97 55.87 1wa0 s GLU 41 Cb -0.15 -3.38 0.09 0.00 0.10 0.00 0.00 34.13 30.79 1wa0 s GLU 41 CO -0.07 0.23 0.76 -1.59 0.02 0.00 0.00 175.26 174.62 1wa0 s LYS 42 N 0.09 0.97 0.12 1.61 -2.85 -0.77 -5.00 119.74 113.91 1wa0 s LYS 42 Ca 0.41 -0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 55.03 1wa0 s LYS 42 Cb -0.21 0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 35.95 1wa0 s LYS 42 CO 0.24 -0.36 1.01 0.21 0.10 0.00 0.00 175.35 176.55 1wa0 s LYS 43 N -2.16 4.65 0.03 1.78 2.20 -1.26 -1.06 119.74 123.91 1wa0 s LYS 43 Ca -0.03 1.53 0.05 0.00 -0.36 0.00 0.00 55.97 57.16 1wa0 s LYS 43 Cb -0.01 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1wa0 s LYS 43 CO -0.01 0.14 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.34 1wa0 s MET 44 N 0.03 0.98 -0.18 4.03 -1.94 0.08 -4.93 119.30 117.36 1wa0 s MET 44 Ca 0.48 -0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 53.56 1wa0 s MET 44 Cb -0.25 -0.97 -0.02 0.00 2.01 0.00 0.00 34.83 35.59 1wa0 s MET 44 CO 0.31 0.25 0.69 0.08 -0.01 0.00 0.00 175.02 176.34 1wa0 s VAL 45 N -0.70 4.98 -0.89 -6.03 1.01 -1.26 -0.42 120.40 117.09 1wa0 s VAL 45 Ca 0.03 1.33 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1wa0 s VAL 45 Cb -0.07 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1wa0 s VAL 45 CO 0.01 0.09 0.64 2.30 0.00 0.00 0.00 175.10 178.13 1wa0 n ILE 46 N 4.67 0.00 -4.04 2.22 -5.35 -0.30 -4.82 119.36 111.75 1wa0 n ILE 46 Ca 0.00 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 61.92 1wa0 n ILE 46 Cb 0.49 1.13 -0.04 0.00 -1.74 0.00 0.00 39.64 39.48 1wa0 n ILE 46 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1wa0 n ASP 47 N -0.08 -1.03 0.06 7.28 5.68 -1.25 -0.82 116.55 126.40 1wa0 n ASP 47 Ca 0.04 -2.66 0.13 0.00 -0.50 0.00 0.00 54.79 51.80 1wa0 n ASP 47 Cb 0.20 1.99 0.42 0.00 -1.14 0.00 0.00 41.12 42.59 1wa0 n ASP 47 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wa0 n ASP 48 N -1.75 0.56 -1.23 -1.12 8.00 -1.26 -3.26 116.55 116.48 1wa0 n ASP 48 Ca 0.02 0.45 0.11 0.00 0.71 0.00 0.00 54.79 56.07 1wa0 n ASP 48 Cb 0.50 -0.53 0.29 0.00 -0.02 0.00 0.00 41.12 41.37 1wa0 n ASP 48 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1wa0 n LYS 49 N -1.99 2.75 -0.55 -1.24 2.85 -1.26 -4.97 118.16 113.75 1wa0 n LYS 49 Ca 0.06 -2.56 0.00 0.00 -1.05 0.00 0.00 58.31 54.76 1wa0 n LYS 49 Cb 0.40 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1wa0 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wa0 n GLY 50 N 1.46 0.71 3.75 2.58 0.00 -1.20 -5.04 105.19 107.45 1wa0 n GLY 50 Ca 0.22 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1wa0 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa0 s THR 51 N -2.00 2.28 0.14 2.61 2.01 -1.26 -4.88 115.64 114.54 1wa0 s THR 51 Ca 0.00 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.30 1wa0 s THR 51 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1wa0 s THR 51 CO 0.00 0.04 0.06 0.42 -0.69 0.00 0.00 174.62 174.45 1wa0 s THR 52 N -0.13 4.16 -0.07 -0.82 -4.23 -1.26 -1.15 115.64 112.14 1wa0 s THR 52 Ca 0.61 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.06 1wa0 s THR 52 Cb -0.45 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 1wa0 s THR 52 CO 0.48 -0.02 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.08 1wa0 s LEU 53 N -2.77 2.14 -0.85 4.79 2.96 0.44 -4.92 118.68 120.48 1wa0 s LEU 53 Ca 0.28 -0.50 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 1wa0 s LEU 53 Cb -0.11 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.22 1wa0 s LEU 53 CO 0.21 0.22 1.34 -1.10 -1.32 0.00 0.00 176.35 175.70 1wa0 s GLN 54 N -0.03 3.34 0.30 1.98 -1.52 -1.26 -0.75 119.66 121.72 1wa0 s GLN 54 Ca -0.07 -0.59 0.06 0.00 -1.95 0.00 0.00 55.36 52.81 1wa0 s GLN 54 Cb -0.15 -4.63 -0.02 0.00 -0.22 0.00 0.00 33.01 27.99 1wa0 s GLN 54 CO 0.05 -2.17 0.39 0.00 -0.25 0.00 0.00 175.29 173.31 1wa0 s ALA 55 N 5.42 4.03 -0.01 6.09 0.00 -0.22 -4.90 121.76 132.18 1wa0 s ALA 55 Ca 0.39 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1wa0 s ALA 55 Cb -0.05 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1wa0 s ALA 55 CO 0.05 0.08 0.02 -1.64 0.00 0.00 0.00 175.76 174.27 1wa0 s MET 56 N -4.06 -0.02 0.04 0.00 1.00 -0.61 -1.85 119.30 113.80 1wa0 s MET 56 Ca 0.40 0.11 0.01 0.00 0.00 0.00 0.00 55.69 56.21 1wa0 s MET 56 Cb -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 34.83 34.57 1wa0 s MET 56 CO 0.29 -0.10 -0.05 0.95 0.00 0.00 0.00 175.02 176.11 1wa0 s THR 57 N 0.62 0.33 -0.13 2.05 -4.23 -0.63 -2.66 115.64 110.99 1wa0 s THR 57 Ca -0.05 -1.18 -0.23 0.00 -1.18 0.00 0.00 61.69 59.04 1wa0 s THR 57 Cb -0.07 -0.67 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 1wa0 s THR 57 CO -0.02 -0.56 0.73 -0.36 -0.54 0.00 0.00 174.62 173.87 1wa0 s PHE 58 N -1.95 3.47 -2.13 3.99 0.08 -1.26 -1.27 117.98 118.92 1wa0 s PHE 58 Ca -0.08 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.14 1wa0 s PHE 58 Cb -0.06 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1wa0 s PHE 58 CO -0.02 -0.09 0.00 0.09 -0.10 0.00 0.00 175.22 175.10 1wa0 n ASN 59 N 4.59 -5.58 0.00 1.36 4.13 0.16 -3.01 115.26 116.90 1wa0 n ASN 59 Ca 0.01 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1wa0 n ASN 59 Cb 0.50 -4.87 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 1wa0 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa0 n GLY 60 N -0.52 0.92 3.35 7.41 0.00 -1.26 -5.00 105.19 110.09 1wa0 n GLY 60 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1wa0 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wa0 s SER 61 N -3.00 2.89 -0.22 1.61 1.04 -1.17 -5.01 113.70 109.84 1wa0 s SER 61 Ca 0.00 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 1wa0 s SER 61 Cb 0.00 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1wa0 s SER 61 CO 0.00 0.05 -0.05 -0.04 0.98 0.00 0.00 173.24 174.17 1wa0 s MET 62 N -2.47 3.37 1.09 4.02 -1.94 -1.26 -3.06 119.30 119.04 1wa0 s MET 62 Ca 0.14 -0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 53.33 1wa0 s MET 62 Cb -0.08 -2.98 0.24 0.00 2.01 0.00 0.00 34.83 34.02 1wa0 s MET 62 CO 0.07 -0.18 1.15 -1.25 -0.01 0.00 0.00 175.02 174.79 1wa0 s PRO 63 N 1.43 -0.32 1.09 2.03 0.04 -1.26 -3.42 135.00 134.59 1wa0 s PRO 63 Ca 0.05 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 60.97 1wa0 s PRO 63 Cb -0.14 -1.70 0.22 0.00 0.04 0.00 0.00 34.50 32.92 1wa0 s PRO 63 CO -0.03 -3.12 0.90 0.41 0.04 0.00 0.00 177.00 175.20 1wa0 n GLY 64 N -1.66 -1.61 3.75 0.56 0.00 0.14 -4.75 105.19 101.62 1wa0 n GLY 64 Ca 0.11 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1wa0 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wa0 s PRO 65 N -4.31 2.66 -0.05 1.61 0.04 -1.26 -4.56 135.00 129.13 1wa0 s PRO 65 Ca 0.66 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 63.03 1wa0 s PRO 65 Cb -0.23 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1wa0 s PRO 65 CO 0.63 -1.40 0.88 0.99 0.04 0.00 0.00 177.00 178.15 1wa0 s THR 66 N -2.05 4.91 -0.20 1.26 2.01 -1.26 -4.28 115.64 116.04 1wa0 s THR 66 Ca 0.72 1.83 -0.11 0.00 0.31 0.00 0.00 61.69 64.43 1wa0 s THR 66 Cb -0.25 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1wa0 s THR 66 CO 0.40 0.15 0.16 -0.76 -0.69 0.00 0.00 174.62 173.89 1wa0 s LEU 67 N 1.19 4.20 -0.13 4.42 1.02 -0.64 -4.51 118.68 124.23 1wa0 s LEU 67 Ca 0.46 0.26 0.03 0.00 0.02 0.00 0.00 54.13 54.90 1wa0 s LEU 67 Cb -0.19 -2.14 0.01 0.00 0.02 0.00 0.00 46.19 43.88 1wa0 s LEU 67 CO 0.22 0.15 -0.23 -0.69 0.02 0.00 0.00 176.35 175.82 1wa0 s VAL 68 N 0.49 2.05 0.27 -1.59 1.01 -1.26 -0.08 120.40 121.29 1wa0 s VAL 68 Ca 0.09 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1wa0 s VAL 68 Cb -0.12 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1wa0 s VAL 68 CO -0.00 0.55 0.15 1.33 0.00 0.00 0.00 175.10 177.13 1wa0 n VAL 69 N 3.89 0.00 -4.28 2.92 0.24 -0.50 -5.00 118.33 115.59 1wa0 n VAL 69 Ca -0.20 -1.74 -0.28 0.00 -2.04 0.00 0.00 64.34 60.08 1wa0 n VAL 69 Cb 0.52 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 1wa0 n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1wa0 s HIS 70 N -2.82 2.62 0.20 6.34 3.76 -1.26 -1.17 115.29 122.97 1wa0 s HIS 70 Ca 0.22 -0.22 -0.32 0.00 -0.15 0.00 0.00 55.06 54.58 1wa0 s HIS 70 Cb 0.01 -1.33 -0.14 0.00 1.11 0.00 0.00 32.58 32.23 1wa0 s HIS 70 CO 0.15 0.46 1.39 -1.91 -0.85 0.00 0.00 174.74 173.99 1wa0 n GLU 71 N 0.36 1.84 0.00 1.40 2.13 -0.14 -0.97 120.64 125.26 1wa0 n GLU 71 Ca -0.12 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1wa0 n GLU 71 Cb 0.54 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1wa0 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wa0 n GLY 72 N 2.38 3.13 3.71 8.31 0.00 -0.43 -4.64 105.19 117.64 1wa0 n GLY 72 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1wa0 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wa0 s ASP 73 N -1.15 3.35 -0.10 1.61 1.01 -0.14 -4.64 116.67 116.61 1wa0 s ASP 73 Ca 0.00 1.44 0.01 0.00 0.71 0.00 0.00 52.55 54.72 1wa0 s ASP 73 Cb 0.00 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1wa0 s ASP 73 CO 0.00 -2.71 -0.15 -0.31 0.21 0.00 0.00 175.17 172.21 1wa0 s TYR 74 N -2.94 2.74 -0.15 4.23 1.51 -0.33 -0.84 117.35 121.57 1wa0 s TYR 74 Ca 0.64 -0.57 -0.17 0.00 -1.01 0.00 0.00 57.07 55.96 1wa0 s TYR 74 Cb -0.18 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1wa0 s TYR 74 CO 0.57 -0.13 0.45 0.08 -1.11 0.00 0.00 175.55 175.40 1wa0 s VAL 75 N 0.06 5.19 -0.32 0.71 1.01 0.25 -0.36 120.40 126.94 1wa0 s VAL 75 Ca -0.06 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1wa0 s VAL 75 Cb -0.15 -3.78 0.09 0.00 0.00 0.00 0.00 36.38 32.54 1wa0 s VAL 75 CO 0.05 0.30 0.04 -1.58 0.00 0.00 0.00 175.10 173.90 1wa0 s GLN 76 N 0.90 1.42 -0.20 2.72 0.74 0.04 -1.22 119.66 124.06 1wa0 s GLN 76 Ca 0.23 -1.62 -0.08 0.00 0.05 0.00 0.00 55.36 53.94 1wa0 s GLN 76 Cb -0.15 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 1wa0 s GLN 76 CO 0.09 -0.89 0.07 -1.17 -0.55 0.00 0.00 175.29 172.84 1wa0 s LEU 77 N 1.08 3.80 -0.29 3.68 2.96 0.57 -1.02 118.68 129.47 1wa0 s LEU 77 Ca 0.08 0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.88 1wa0 s LEU 77 Cb -0.19 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1wa0 s LEU 77 CO -0.11 0.14 0.39 -0.89 -1.32 0.00 0.00 176.35 174.56 1wa0 s THR 78 N 0.60 5.15 -0.24 3.68 2.01 -0.29 -0.62 115.64 125.93 1wa0 s THR 78 Ca 0.04 0.45 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 1wa0 s THR 78 Cb -0.13 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1wa0 s THR 78 CO 0.01 0.07 0.12 -0.22 -0.69 0.00 0.00 174.62 173.91 1wa0 s LEU 79 N 2.10 3.85 -0.15 4.42 2.96 0.85 -1.91 118.68 130.80 1wa0 s LEU 79 Ca 0.15 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1wa0 s LEU 79 Cb -0.16 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1wa0 s LEU 79 CO 0.11 0.03 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.39 1wa0 s VAL 80 N 1.27 3.37 -0.59 1.68 1.01 -0.39 -1.68 120.40 125.08 1wa0 s VAL 80 Ca 0.06 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1wa0 s VAL 80 Cb -0.14 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 33.93 1wa0 s VAL 80 CO 0.05 0.50 0.37 0.21 0.00 0.00 0.00 175.10 176.23 1wa0 s ASN 81 N 0.50 4.86 0.74 3.32 2.47 -0.21 -1.08 114.94 125.55 1wa0 s ASN 81 Ca -0.06 -2.93 -0.15 0.00 0.42 0.00 0.00 52.86 50.13 1wa0 s ASN 81 Cb -0.15 -1.77 0.02 0.00 -1.45 0.00 0.00 41.25 37.90 1wa0 s ASN 81 CO 0.04 -0.31 1.01 -2.65 -3.72 0.00 0.00 177.10 171.47 1wa0 n PRO 82 N 3.31 0.46 0.11 0.43 -0.02 -1.26 -0.13 135.00 137.89 1wa0 n PRO 82 Ca 0.07 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1wa0 n PRO 82 Cb 0.35 -2.26 0.43 0.00 -0.02 0.00 0.00 33.50 32.00 1wa0 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa0 n ALA 83 N -2.64 1.32 0.59 3.55 0.00 -1.26 -1.63 120.51 120.44 1wa0 n ALA 83 Ca 0.13 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1wa0 n ALA 83 Cb 0.50 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 19.10 1wa0 n ALA 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wa0 n THR 84 N -2.04 0.71 -2.50 0.00 -2.24 -1.26 -4.78 114.28 102.17 1wa0 n THR 84 Ca 0.01 0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.64 1wa0 n THR 84 Cb 0.11 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1wa0 n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wa0 s ASN 85 N -3.48 6.25 -0.08 3.42 0.01 -0.64 -4.98 114.94 115.43 1wa0 s ASN 85 Ca 0.08 1.01 0.17 0.00 -0.71 0.00 0.00 52.86 53.41 1wa0 s ASN 85 Cb 0.12 -2.28 -0.26 0.00 0.41 0.00 0.00 41.25 39.24 1wa0 s ASN 85 CO 0.39 -0.64 0.27 0.00 -1.51 0.00 0.00 177.10 175.62 1wa0 n ALA 86 N -2.35 2.26 -2.53 0.60 0.00 -1.26 -4.74 120.51 112.49 1wa0 n ALA 86 Ca 0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 1wa0 n ALA 86 Cb 0.55 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 1wa0 n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wa0 s MET 87 N -2.96 1.91 0.58 0.00 -1.94 -1.26 -4.90 119.30 110.73 1wa0 s MET 87 Ca -0.08 -1.44 -0.16 0.00 -1.71 0.00 0.00 55.69 52.30 1wa0 s MET 87 Cb 0.09 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.87 1wa0 s MET 87 CO 0.75 0.40 1.06 -1.25 -0.01 0.00 0.00 175.02 175.97 1wa0 s PRO 88 N -3.06 3.37 0.28 2.03 0.04 -1.26 -4.23 135.00 132.16 1wa0 s PRO 88 Ca 0.26 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1wa0 s PRO 88 Cb -0.07 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1wa0 s PRO 88 CO 0.15 -0.78 0.30 -1.01 0.04 0.00 0.00 177.00 175.70 1wa0 s HIS 89 N -2.35 1.20 0.00 0.56 3.76 -0.63 -4.91 115.29 112.92 1wa0 s HIS 89 Ca 0.65 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1wa0 s HIS 89 Cb -0.17 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.14 1wa0 s HIS 89 CO 0.34 -0.87 0.00 0.27 -0.85 0.00 0.00 174.74 173.63 1wa0 n ASN 90 N -0.92 0.00 -3.79 1.40 0.23 -1.26 -0.83 115.26 110.09 1wa0 n ASN 90 Ca 0.03 -0.78 -0.13 0.00 -0.53 0.00 0.00 54.58 53.17 1wa0 n ASN 90 Cb 0.63 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.21 1wa0 n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wa0 s VAL 91 N -2.92 -0.01 -0.26 3.53 0.11 -1.26 -4.24 120.40 115.34 1wa0 s VAL 91 Ca 0.00 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1wa0 s VAL 91 Cb 0.00 -0.26 0.05 0.00 -1.53 0.00 0.00 36.38 34.64 1wa0 s VAL 91 CO 0.00 0.02 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.08 1wa0 s ASP 92 N 0.40 4.37 -0.35 3.54 -1.08 0.36 -1.05 116.67 122.87 1wa0 s ASP 92 Ca -0.03 -1.21 -0.17 0.00 -0.52 0.00 0.00 52.55 50.62 1wa0 s ASP 92 Cb -0.04 -1.59 -0.01 0.00 -1.46 0.00 0.00 42.92 39.83 1wa0 s ASP 92 CO -0.02 -0.17 0.47 -0.36 0.52 0.00 0.00 175.17 175.61 1wa0 s PHE 93 N 1.18 3.19 0.47 -5.34 0.08 0.20 -1.16 117.98 116.60 1wa0 s PHE 93 Ca -0.05 0.11 0.40 0.00 0.12 0.00 0.00 56.93 57.51 1wa0 s PHE 93 Cb -0.19 -2.85 2.13 0.00 -0.57 0.00 0.00 43.02 41.54 1wa0 s PHE 93 CO -0.05 -0.51 2.23 0.45 -0.10 0.00 0.00 175.22 177.24 1wa0 h HIS 94 N 8.47 0.00 0.00 0.36 3.86 -1.40 -1.57 115.15 124.87 1wa0 h HIS 94 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1wa0 h HIS 94 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1wa0 h HIS 94 CO 0.71 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.91 1wa0 n GLY 95 N -0.93 -1.19 3.77 2.45 0.00 -1.26 -4.90 105.19 103.13 1wa0 n GLY 95 Ca -0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1wa0 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa0 s ALA 96 N -2.70 3.46 -0.22 4.61 0.00 -0.59 -4.64 121.76 121.68 1wa0 s ALA 96 Ca 0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1wa0 s ALA 96 Cb 0.17 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1wa0 s ALA 96 CO 0.40 0.25 -0.11 0.99 0.00 0.00 0.00 175.76 177.29 1wa0 s THR 97 N -2.20 2.68 0.00 0.00 2.01 -1.26 -4.73 115.64 112.13 1wa0 s THR 97 Ca 0.33 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1wa0 s THR 97 Cb -0.07 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1wa0 s THR 97 CO 0.23 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 1wa0 n GLY 98 N 4.67 2.62 4.01 4.40 0.00 -1.26 -4.96 105.19 114.67 1wa0 n GLY 98 Ca -0.18 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 1wa0 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa0 n ALA 99 N 0.37 -1.65 -3.81 4.61 0.00 -1.26 -1.07 120.51 117.70 1wa0 n ALA 99 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 1wa0 n ALA 99 Cb 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 19.45 16.80 1wa0 n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wa0 n LEU 100 N -4.44 -2.81 0.00 0.00 4.77 -1.26 -1.40 117.00 111.86 1wa0 n LEU 100 Ca -0.13 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1wa0 n LEU 100 Cb 0.60 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1wa0 n LEU 100 CO 0.78 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1wa0 n GLY 101 N -1.66 0.40 0.00 -0.72 0.00 -0.23 -2.72 105.19 100.26 1wa0 n GLY 101 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1wa0 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa0 n GLY 102 N -1.97 1.55 0.37 -0.02 0.00 -0.50 -0.63 105.19 104.00 1wa0 n GLY 102 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1wa0 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa0 h ALA 103 N 0.00 1.54 0.00 4.61 0.00 -0.81 -1.49 119.26 123.12 1wa0 h ALA 103 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wa0 h ALA 103 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1wa0 h ALA 103 CO 0.00 0.25 -0.02 0.87 0.00 0.00 0.00 179.25 180.35 1wa0 h LYS 104 N 0.99 0.00 -0.06 0.00 1.79 -1.75 -3.11 116.57 114.44 1wa0 h LYS 104 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1wa0 h LYS 104 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1wa0 h LYS 104 CO -0.21 0.02 0.00 1.28 -1.08 0.00 0.00 179.45 179.46 1wa0 n LEU 105 N -3.15 2.49 -0.66 2.94 4.77 -0.58 -4.54 117.00 118.27 1wa0 n LEU 105 Ca -0.00 -1.08 0.05 0.00 -0.03 0.00 0.00 56.01 54.94 1wa0 n LEU 105 Cb 0.25 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1wa0 n LEU 105 CO 0.26 0.46 0.30 0.35 -1.33 0.00 0.00 177.39 177.43 1wa0 n THR 106 N 0.96 0.90 -1.92 -5.08 -2.24 -1.06 -4.84 114.28 100.99 1wa0 n THR 106 Ca 0.10 -1.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.02 1wa0 n THR 106 Cb 0.43 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1wa0 n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wa0 s ASN 107 N -2.15 5.71 -0.18 3.42 0.01 -1.24 -4.10 114.94 116.41 1wa0 s ASN 107 Ca 0.24 1.32 0.01 0.00 -0.71 0.00 0.00 52.86 53.72 1wa0 s ASN 107 Cb 0.24 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.41 1wa0 s ASN 107 CO -0.05 -1.85 -0.13 0.68 -1.51 0.00 0.00 177.10 174.25 1wa0 s VAL 108 N 7.51 1.66 0.67 1.60 -7.23 -0.01 -4.99 120.40 119.61 1wa0 s VAL 108 Ca 0.83 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 1wa0 s VAL 108 Cb -0.23 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1wa0 s VAL 108 CO 0.33 0.31 1.07 0.20 -0.31 0.00 0.00 175.10 176.70 1wa0 s ASN 109 N 1.42 5.74 0.24 4.85 0.01 -1.26 -1.61 114.94 124.32 1wa0 s ASN 109 Ca 0.02 1.24 -0.31 0.00 -0.71 0.00 0.00 52.86 53.09 1wa0 s ASN 109 Cb -0.15 -2.13 -0.14 0.00 0.41 0.00 0.00 41.25 39.25 1wa0 s ASN 109 CO -0.09 -1.16 1.38 -2.65 -1.51 0.00 0.00 177.10 173.06 1wa0 n PRO 110 N -2.91 1.96 -0.54 -0.60 -0.02 -1.26 -1.39 135.00 130.25 1wa0 n PRO 110 Ca 0.07 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1wa0 n PRO 110 Cb 0.56 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1wa0 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wa0 n GLY 111 N 2.11 0.77 3.56 -1.23 0.00 0.81 -4.68 105.19 106.53 1wa0 n GLY 111 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1wa0 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wa0 s GLU 112 N -0.46 1.91 0.12 1.61 2.02 -0.48 -4.87 118.70 118.55 1wa0 s GLU 112 Ca 0.00 -1.79 -0.07 0.00 0.02 0.00 0.00 54.97 53.13 1wa0 s GLU 112 Cb 0.00 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 1wa0 s GLU 112 CO 0.00 0.21 0.19 1.14 0.02 0.00 0.00 175.26 176.82 1wa0 s GLN 113 N -3.63 0.95 0.09 1.61 -2.07 -1.26 -1.04 119.66 114.31 1wa0 s GLN 113 Ca 0.33 -1.12 -0.13 0.00 -1.82 0.00 0.00 55.36 52.62 1wa0 s GLN 113 Cb -0.01 0.33 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 1wa0 s GLN 113 CO 0.17 -0.31 0.29 0.00 -1.32 0.00 0.00 175.29 174.12 1wa0 s ALA 114 N -3.93 -0.59 -0.13 2.60 0.00 -0.68 -4.99 121.76 114.04 1wa0 s ALA 114 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1wa0 s ALA 114 Cb 0.05 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1wa0 s ALA 114 CO -0.05 -0.52 -0.13 0.99 0.00 0.00 0.00 175.76 176.04 1wa0 s THR 115 N -3.45 1.46 -0.03 0.00 2.01 -1.26 -0.10 115.64 114.27 1wa0 s THR 115 Ca 0.01 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1wa0 s THR 115 Cb 0.02 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1wa0 s THR 115 CO -0.09 0.44 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.96 1wa0 s LEU 116 N 1.41 2.98 -0.04 4.42 2.96 0.21 -4.96 118.68 125.67 1wa0 s LEU 116 Ca 0.02 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1wa0 s LEU 116 Cb -0.13 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1wa0 s LEU 116 CO -0.08 0.32 -0.25 -0.60 -1.32 0.00 0.00 176.35 174.42 1wa0 s ARG 117 N -1.02 2.31 0.06 1.98 3.52 -1.26 -0.31 118.95 124.23 1wa0 s ARG 117 Ca 0.14 -0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 54.76 1wa0 s ARG 117 Cb -0.11 -2.08 -0.01 0.00 -1.56 0.00 0.00 34.95 31.19 1wa0 s ARG 117 CO 0.03 0.47 0.12 -0.59 -0.81 0.00 0.00 175.30 174.52 1wa0 s PHE 118 N -0.39 0.23 -0.15 5.12 -0.12 -0.35 -4.99 117.98 117.32 1wa0 s PHE 118 Ca 0.03 -0.62 -0.22 0.00 -0.05 0.00 0.00 56.93 56.08 1wa0 s PHE 118 Cb -0.12 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1wa0 s PHE 118 CO 0.01 -0.44 0.67 0.21 -0.05 0.00 0.00 175.22 175.62 1wa0 s LYS 119 N -3.32 4.30 -1.24 1.99 2.20 -1.26 -0.58 119.74 121.82 1wa0 s LYS 119 Ca 0.01 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.24 1wa0 s LYS 119 Cb 0.03 -3.53 0.16 0.00 -1.51 0.00 0.00 37.83 32.98 1wa0 s LYS 119 CO -0.08 -0.14 1.60 0.00 -0.36 0.00 0.00 175.35 176.38 1wa0 n ALA 120 N 4.60 4.31 0.83 3.13 0.00 -0.02 -4.73 120.51 128.63 1wa0 n ALA 120 Ca -0.01 -4.23 0.11 0.00 0.00 0.00 0.00 53.44 49.31 1wa0 n ALA 120 Cb 0.50 -3.08 0.29 0.00 0.00 0.00 0.00 19.45 17.16 1wa0 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wa0 n ASP 121 N 5.33 2.41 -3.89 0.00 5.75 -1.26 -1.32 116.55 123.56 1wa0 n ASP 121 Ca 0.39 -1.85 -0.21 0.00 -0.01 0.00 0.00 54.79 53.11 1wa0 n ASP 121 Cb 0.41 -0.18 -0.16 0.00 -1.03 0.00 0.00 41.12 40.16 1wa0 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wa0 s ARG 122 N -1.65 0.92 0.41 0.11 0.52 -1.26 -4.79 118.95 113.20 1wa0 s ARG 122 Ca 0.34 -0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 55.21 1wa0 s ARG 122 Cb 0.19 -0.93 -0.10 0.00 0.52 0.00 0.00 34.95 34.63 1wa0 s ARG 122 CO 0.28 -0.10 0.98 -1.54 0.02 0.00 0.00 175.30 174.94 1wa0 s SER 123 N 1.02 6.92 0.00 0.23 1.04 -1.26 -4.76 113.70 116.89 1wa0 s SER 123 Ca -0.09 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1wa0 s SER 123 Cb -0.14 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1wa0 s SER 123 CO -0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1wa0 n GLY 124 N -0.15 1.45 3.72 7.32 0.00 0.27 -3.02 105.19 114.79 1wa0 n GLY 124 Ca 0.06 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1wa0 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wa0 s THR 125 N -1.48 5.24 -0.03 2.61 -4.23 0.91 -0.19 115.64 118.48 1wa0 s THR 125 Ca 0.00 0.74 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1wa0 s THR 125 Cb 0.00 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1wa0 s THR 125 CO 0.00 0.34 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.94 1wa0 s PHE 126 N 0.64 1.26 0.38 3.99 0.40 0.28 -4.35 117.98 120.58 1wa0 s PHE 126 Ca 0.21 -0.31 -0.27 0.00 -0.60 0.00 0.00 56.93 55.96 1wa0 s PHE 126 Cb -0.14 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 1wa0 s PHE 126 CO 0.07 -0.09 1.29 0.08 0.70 0.00 0.00 175.22 177.26 1wa0 s VAL 127 N -0.02 2.72 0.06 -0.44 1.01 -1.26 -0.58 120.40 121.89 1wa0 s VAL 127 Ca -0.01 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.73 1wa0 s VAL 127 Cb -0.08 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1wa0 s VAL 127 CO 0.01 0.12 -0.22 -0.72 0.00 0.00 0.00 175.10 174.29 1wa0 s TYR 128 N -1.23 2.45 0.15 5.22 -0.85 -0.11 -1.07 117.35 121.91 1wa0 s TYR 128 Ca 0.54 -0.32 -0.22 0.00 -0.52 0.00 0.00 57.07 56.55 1wa0 s TYR 128 Cb -0.38 -1.40 0.07 0.00 0.38 0.00 0.00 41.96 40.63 1wa0 s TYR 128 CO 0.49 0.25 0.58 -3.38 -1.52 0.00 0.00 175.55 171.96 1wa0 s HIS 129 N -0.94 -0.50 0.44 -3.49 -3.43 -0.31 -1.42 115.29 105.64 1wa0 s HIS 129 Ca 0.14 0.30 -0.23 0.00 -0.80 0.00 0.00 55.06 54.47 1wa0 s HIS 129 Cb -0.10 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 31.48 1wa0 s HIS 129 CO 0.05 -0.82 1.08 0.00 -2.00 0.00 0.00 174.74 173.05 1wa0 n ALA 131 N -0.40 0.23 -1.98 0.00 0.00 -1.26 -4.46 120.51 112.64 1wa0 n ALA 131 Ca 0.07 -2.23 -0.41 0.00 0.00 0.00 0.00 53.44 50.87 1wa0 n ALA 131 Cb 0.50 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1wa0 n ALA 131 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wa0 s PRO 132 N -0.43 4.59 0.05 0.00 0.05 -1.26 -4.87 135.00 133.13 1wa0 s PRO 132 Ca 0.31 1.76 -0.36 0.00 0.05 0.00 0.00 61.00 62.77 1wa0 s PRO 132 Cb 0.26 -3.25 -0.15 0.00 0.05 0.00 0.00 34.50 31.41 1wa0 s PRO 132 CO -0.13 0.09 1.53 -1.91 0.05 0.00 0.00 177.00 176.63 1wa0 n GLU 133 N 2.10 1.61 -0.52 4.56 2.13 -1.26 -1.31 120.64 127.94 1wa0 n GLU 133 Ca 0.02 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1wa0 n GLU 133 Cb 0.46 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1wa0 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wa0 n GLY 134 N 3.24 1.93 0.83 8.31 0.00 -1.26 -4.81 105.19 113.42 1wa0 n GLY 134 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1wa0 n GLY 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wa0 n MET 135 N -2.00 0.51 0.17 1.61 2.81 -0.43 -4.95 117.12 114.84 1wa0 n MET 135 Ca 0.00 -2.07 -0.14 0.00 -1.81 0.00 0.00 57.70 53.68 1wa0 n MET 135 Cb 0.00 -0.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.74 1wa0 n MET 135 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1wa0 h VAL 136 N 4.76 0.70 -0.73 2.03 2.07 -1.85 -2.59 116.25 120.64 1wa0 h VAL 136 Ca -0.09 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1wa0 h VAL 136 Cb 1.45 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1wa0 h VAL 136 CO 0.04 0.08 0.45 -0.65 0.02 0.00 0.00 177.57 177.51 1wa0 h PRO 137 N -0.66 0.83 -0.68 1.57 0.11 -1.92 -2.15 132.00 129.09 1wa0 h PRO 137 Ca -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1wa0 h PRO 137 Cb 0.47 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1wa0 h PRO 137 CO 0.07 0.55 0.41 1.25 -0.21 0.00 0.00 178.00 180.07 1wa0 h HIS 138 N 0.86 0.91 -0.54 0.65 2.76 -1.94 -0.11 115.15 117.74 1wa0 h HIS 138 Ca 0.30 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.38 1wa0 h HIS 138 Cb 0.07 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 1wa0 h HIS 138 CO -0.05 0.62 0.00 0.45 -1.30 0.00 0.00 177.93 177.66 1wa0 h HIS 139 N 0.93 1.04 0.23 5.26 3.86 -1.13 -1.71 115.15 123.63 1wa0 h HIS 139 Ca 0.24 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1wa0 h HIS 139 Cb -0.02 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.19 1wa0 h HIS 139 CO -0.01 0.94 -0.11 0.28 0.86 0.00 0.00 177.93 179.89 1wa0 h VAL 140 N 0.83 0.84 0.00 2.45 2.07 -1.09 -2.53 116.25 118.82 1wa0 h VAL 140 Ca 0.15 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1wa0 h VAL 140 Cb 0.53 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1wa0 h VAL 140 CO 0.03 0.11 0.00 -0.37 0.02 0.00 0.00 177.57 177.35 1wa0 h VAL 141 N -0.56 0.00 -0.00 2.57 -1.51 -1.02 -2.14 116.25 113.58 1wa0 h VAL 141 Ca -0.03 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1wa0 h VAL 141 Cb 0.41 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1wa0 h VAL 141 CO 0.05 0.00 -0.04 -1.20 -1.23 0.00 0.00 177.57 175.15 1wa0 n SER 142 N -3.04 0.16 0.00 4.19 7.64 -0.64 -4.75 113.62 117.17 1wa0 n SER 142 Ca 0.01 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1wa0 n SER 142 Cb 0.30 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1wa0 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wa0 n GLY 143 N 1.28 0.03 2.88 0.23 0.00 -0.81 -1.57 105.19 107.23 1wa0 n GLY 143 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1wa0 n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wa0 n MET 144 N 0.00 3.53 -3.70 1.61 2.81 -0.96 -4.56 117.12 115.85 1wa0 n MET 144 Ca 0.00 -3.44 -0.10 0.00 -1.81 0.00 0.00 57.70 52.35 1wa0 n MET 144 Cb 0.00 -2.97 -0.05 0.00 -0.71 0.00 0.00 33.22 29.49 1wa0 n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1wa0 s SER 145 N 1.19 -0.12 0.00 7.83 1.04 -1.26 -1.64 113.70 120.74 1wa0 s SER 145 Ca 0.40 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1wa0 s SER 145 Cb 0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1wa0 s SER 145 CO -0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1wa0 n GLY 146 N -0.17 1.94 3.28 7.32 0.00 -0.51 -0.68 105.19 116.37 1wa0 n GLY 146 Ca -0.16 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1wa0 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa0 s THR 147 N -2.68 2.02 -0.27 2.61 2.01 -1.26 -0.93 115.64 117.14 1wa0 s THR 147 Ca 0.00 -1.07 -0.09 0.00 0.31 0.00 0.00 61.69 60.84 1wa0 s THR 147 Cb 0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1wa0 s THR 147 CO 0.00 0.57 0.13 -0.22 -0.69 0.00 0.00 174.62 174.41 1wa0 s LEU 148 N -0.38 3.75 -0.26 4.42 2.96 0.25 -1.63 118.68 127.79 1wa0 s LEU 148 Ca 0.03 -0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1wa0 s LEU 148 Cb -0.12 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1wa0 s LEU 148 CO 0.01 -0.05 0.12 -0.32 -1.32 0.00 0.00 176.35 174.79 1wa0 s MET 149 N 1.68 3.80 -0.44 1.98 -2.45 0.89 -0.56 119.30 124.20 1wa0 s MET 149 Ca 0.07 -0.40 -0.09 0.00 -1.25 0.00 0.00 55.69 54.02 1wa0 s MET 149 Cb -0.16 -3.46 0.10 0.00 1.25 0.00 0.00 34.83 32.56 1wa0 s MET 149 CO 0.07 -0.16 0.29 0.08 1.05 0.00 0.00 175.02 176.35 1wa0 s VAL 150 N 1.60 4.16 0.29 10.11 1.01 0.73 -1.41 120.40 136.88 1wa0 s VAL 150 Ca 0.06 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 1wa0 s VAL 150 Cb -0.15 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1wa0 s VAL 150 CO 0.07 -0.62 0.88 -0.76 0.00 0.00 0.00 175.10 174.67 1wa0 s LEU 151 N 1.38 4.38 0.55 3.92 1.43 -0.32 -0.57 118.68 129.45 1wa0 s LEU 151 Ca 0.04 1.74 -0.22 0.00 -1.03 0.00 0.00 54.13 54.66 1wa0 s LEU 151 Cb -0.24 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.08 1wa0 s LEU 151 CO 0.01 -0.01 1.37 -2.65 0.23 0.00 0.00 176.35 175.29 1wa0 n PRO 152 N 0.72 1.71 -0.01 1.29 -0.02 -1.26 -0.96 135.00 136.46 1wa0 n PRO 152 Ca 0.00 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1wa0 n PRO 152 Cb 0.50 -2.59 0.49 0.00 -0.02 0.00 0.00 33.50 31.88 1wa0 n PRO 152 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1wa0 h ARG 153 N 1.44 0.40 -0.68 -0.52 2.43 -1.90 -1.35 114.38 114.20 1wa0 h ARG 153 Ca -0.51 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.54 1wa0 h ARG 153 Cb 1.30 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1wa0 h ARG 153 CO 0.57 0.27 0.12 -3.47 -1.51 0.00 0.00 179.97 175.95 1wa0 n ASP 154 N -4.48 5.14 0.00 -3.80 2.03 -1.26 -1.30 116.55 112.88 1wa0 n ASP 154 Ca 0.06 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1wa0 n ASP 154 Cb 0.21 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1wa0 n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wa0 n GLY 155 N 0.27 -1.49 3.78 0.27 0.00 -0.51 -4.59 105.19 102.91 1wa0 n GLY 155 Ca 0.32 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1wa0 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa0 s LEU 156 N -3.03 3.58 0.03 0.99 1.43 -1.25 -4.58 118.68 115.85 1wa0 s LEU 156 Ca 0.00 2.04 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 1wa0 s LEU 156 Cb 0.00 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 1wa0 s LEU 156 CO 0.00 -1.34 -0.08 -0.54 0.23 0.00 0.00 176.35 174.63 1wa0 s LYS 157 N -3.71 0.53 0.83 1.70 -0.14 -1.26 -1.54 119.74 116.14 1wa0 s LYS 157 Ca 0.69 -0.60 -0.09 0.00 -1.36 0.00 0.00 55.97 54.60 1wa0 s LYS 157 Cb -0.21 -0.37 0.14 0.00 -1.68 0.00 0.00 37.83 35.72 1wa0 s LYS 157 CO 0.33 0.08 1.15 0.16 -0.76 0.00 0.00 175.35 176.32 1wa0 s ASP 158 N -1.15 3.92 0.64 2.83 -4.77 -0.01 -4.65 116.67 113.46 1wa0 s ASP 158 Ca -0.06 0.15 0.37 0.00 -3.30 0.00 0.00 52.55 49.72 1wa0 s ASP 158 Cb -0.08 -0.45 2.10 0.00 -1.09 0.00 0.00 42.92 43.41 1wa0 s ASP 158 CO 0.00 -2.19 2.26 -0.65 0.70 0.00 0.00 175.17 175.30 1wa0 h PRO 159 N -1.06 0.00 -0.37 2.11 0.11 -1.90 -0.63 132.00 130.27 1wa0 h PRO 159 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1wa0 h PRO 159 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wa0 h PRO 159 CO 0.45 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.28 1wa0 n GLN 160 N -3.34 2.34 -0.89 1.05 3.00 -1.26 -4.95 117.38 113.32 1wa0 n GLN 160 Ca -0.02 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 1wa0 n GLN 160 Cb 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1wa0 n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wa0 n GLY 161 N 1.43 0.54 3.81 1.08 0.00 -0.24 -5.04 105.19 106.76 1wa0 n GLY 161 Ca 0.19 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1wa0 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa0 s LYS 162 N -0.33 4.13 0.34 1.61 -0.14 -1.26 -4.74 119.74 119.35 1wa0 s LYS 162 Ca 0.00 1.20 -0.29 0.00 -1.36 0.00 0.00 55.97 55.53 1wa0 s LYS 162 Cb 0.00 -2.20 -0.11 0.00 -1.68 0.00 0.00 37.83 33.85 1wa0 s LYS 162 CO 0.00 -0.13 1.38 -1.25 -0.76 0.00 0.00 175.35 174.60 1wa0 s PRO 163 N -3.12 4.26 0.18 -1.68 0.04 -1.26 -0.83 135.00 132.58 1wa0 s PRO 163 Ca 0.63 2.35 0.10 0.00 0.04 0.00 0.00 61.00 64.12 1wa0 s PRO 163 Cb -0.12 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1wa0 s PRO 163 CO 0.16 -0.33 -0.22 -0.51 0.04 0.00 0.00 177.00 176.14 1wa0 s LEU 164 N -1.75 2.43 0.14 -3.56 1.43 -0.59 -4.76 118.68 112.02 1wa0 s LEU 164 Ca 0.51 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1wa0 s LEU 164 Cb -0.42 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 44.78 1wa0 s LEU 164 CO 0.55 0.06 0.33 -1.38 0.23 0.00 0.00 176.35 176.14 1wa0 s HIS 165 N -1.79 0.09 0.13 0.29 -3.43 -1.26 -3.92 115.29 105.38 1wa0 s HIS 165 Ca 0.18 -0.45 0.11 0.00 -0.80 0.00 0.00 55.06 54.09 1wa0 s HIS 165 Cb -0.07 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.14 1wa0 s HIS 165 CO 0.08 -0.71 -0.26 1.52 -2.00 0.00 0.00 174.74 173.38 1wa0 s TYR 166 N -3.88 2.34 -0.13 0.38 1.13 -1.26 -4.90 117.35 111.03 1wa0 s TYR 166 Ca 0.09 -0.37 0.22 0.00 -1.41 0.00 0.00 57.07 55.60 1wa0 s TYR 166 Cb 0.03 -1.27 -0.18 0.00 -1.10 0.00 0.00 41.96 39.44 1wa0 s TYR 166 CO -0.06 0.34 0.72 -0.25 -2.51 0.00 0.00 175.55 173.79 1wa0 n ASP 167 N 0.93 0.42 -3.63 -0.18 8.00 0.27 -4.95 116.55 117.41 1wa0 n ASP 167 Ca -0.18 0.17 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 1wa0 n ASP 167 Cb 0.53 1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 42.72 1wa0 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wa0 s ARG 168 N -3.36 0.94 -0.03 -1.24 1.70 -1.08 -5.00 118.95 110.88 1wa0 s ARG 168 Ca -0.05 -0.23 0.06 0.00 -0.47 0.00 0.00 55.73 55.04 1wa0 s ARG 168 Cb 0.11 0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 34.91 1wa0 s ARG 168 CO 0.85 -0.32 -0.22 0.00 -1.08 0.00 0.00 175.30 174.52 1wa0 s ALA 169 N -2.19 1.91 0.05 7.88 0.00 -1.26 -0.87 121.76 127.27 1wa0 s ALA 169 Ca -0.07 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.01 1wa0 s ALA 169 Cb -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1wa0 s ALA 169 CO -0.00 0.41 -0.18 0.71 0.00 0.00 0.00 175.76 176.70 1wa0 s TYR 170 N -0.31 1.57 -0.14 0.00 2.02 0.08 -4.13 117.35 116.44 1wa0 s TYR 170 Ca 0.03 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1wa0 s TYR 170 Cb -0.11 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.53 1wa0 s TYR 170 CO 0.01 0.08 -0.20 -0.08 -1.57 0.00 0.00 175.55 173.79 1wa0 s THR 171 N -0.85 2.23 -0.16 -0.71 -1.32 -0.04 -1.41 115.64 113.40 1wa0 s THR 171 Ca 0.05 -0.92 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 1wa0 s THR 171 Cb -0.08 -1.91 0.01 0.00 -1.51 0.00 0.00 72.50 69.01 1wa0 s THR 171 CO 0.02 0.54 -0.20 -0.63 -2.21 0.00 0.00 174.62 172.13 1wa0 s ILE 172 N 0.82 2.14 -0.15 5.08 1.09 0.47 -4.46 121.20 126.19 1wa0 s ILE 172 Ca -0.06 -0.94 -0.04 0.00 -1.10 0.00 0.00 60.65 58.50 1wa0 s ILE 172 Cb -0.15 -1.88 -0.03 0.00 -1.06 0.00 0.00 42.46 39.34 1wa0 s ILE 172 CO -0.02 0.54 -0.01 -0.83 -0.10 0.00 0.00 174.94 174.53 1wa0 s GLY 173 N 0.98 1.78 -0.16 6.18 0.00 -1.26 -1.12 107.32 113.72 1wa0 s GLY 173 Ca -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1wa0 s GLY 173 CO -0.05 -0.09 -0.06 1.85 0.00 0.00 0.00 173.10 174.74 1wa0 s GLU 174 N 0.23 3.54 -0.23 2.90 2.12 -0.38 -0.63 118.70 126.26 1wa0 s GLU 174 Ca -0.01 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.76 1wa0 s GLU 174 Cb -0.13 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.45 1wa0 s GLU 174 CO 0.02 0.16 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.74 1wa0 s PHE 175 N 0.56 2.81 -0.31 5.30 0.08 0.30 -4.52 117.98 122.20 1wa0 s PHE 175 Ca -0.04 -1.96 -0.29 0.00 0.12 0.00 0.00 56.93 54.75 1wa0 s PHE 175 Cb -0.15 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1wa0 s PHE 175 CO 0.03 -0.82 1.15 0.16 -0.10 0.00 0.00 175.22 175.64 1wa0 s ASP 176 N 1.26 6.85 0.12 1.36 -4.77 -1.26 -1.12 116.67 119.10 1wa0 s ASP 176 Ca -0.05 1.12 0.05 0.00 -3.30 0.00 0.00 52.55 50.36 1wa0 s ASP 176 Cb -0.18 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.06 1wa0 s ASP 176 CO -0.07 -0.94 0.02 -0.76 0.70 0.00 0.00 175.17 174.13 1wa0 s LEU 177 N 3.87 3.50 -0.52 2.11 1.43 0.27 -4.86 118.68 124.48 1wa0 s LEU 177 Ca 0.49 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1wa0 s LEU 177 Cb -0.14 -2.20 0.22 0.00 0.03 0.00 0.00 46.19 44.11 1wa0 s LEU 177 CO 0.18 0.14 0.55 -1.22 0.23 0.00 0.00 176.35 176.23 1wa0 n TYR 178 N 0.31 1.36 -3.02 0.29 4.01 -1.26 -0.65 117.16 118.19 1wa0 n TYR 178 Ca -0.10 -3.82 -0.41 0.00 -0.16 0.00 0.00 57.90 53.41 1wa0 n TYR 178 Cb 0.53 -0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 1wa0 n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wa0 s ILE 179 N -1.37 4.95 0.67 -0.72 -1.09 -1.26 -4.73 121.20 117.65 1wa0 s ILE 179 Ca 0.34 1.35 -0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1wa0 s ILE 179 Cb 0.10 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1wa0 s ILE 179 CO -0.11 0.05 1.11 -2.84 -1.23 0.00 0.00 174.94 171.92 1wa0 s PRO 180 N 2.20 2.73 0.18 2.79 0.02 -1.26 -4.86 135.00 136.81 1wa0 s PRO 180 Ca 0.32 1.39 0.10 0.00 0.02 0.00 0.00 61.00 62.83 1wa0 s PRO 180 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1wa0 s PRO 180 CO 0.10 -1.30 -0.17 0.15 -0.33 0.00 0.00 177.00 175.45 1wa0 s LYS 181 N -4.14 1.78 0.37 5.54 1.02 -1.26 -0.67 119.74 122.38 1wa0 s LYS 181 Ca 0.67 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1wa0 s LYS 181 Cb -0.21 -2.00 0.07 0.00 -0.52 0.00 0.00 37.83 35.17 1wa0 s LYS 181 CO 0.43 0.42 0.50 0.41 -0.92 0.00 0.00 175.35 176.19 1wa0 n GLY 182 N 0.20 1.45 0.31 -3.33 0.00 -0.56 -4.85 105.19 98.40 1wa0 n GLY 182 Ca -0.12 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 43.90 1wa0 n GLY 182 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wa0 h PRO 183 N 0.00 0.09 0.00 1.61 0.11 -2.02 -1.16 132.00 130.63 1wa0 h PRO 183 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1wa0 h PRO 183 Cb 0.71 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1wa0 h PRO 183 CO 0.21 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.66 1wa0 n ASP 184 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.61 1wa0 n ASP 184 Ca 0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1wa0 n ASP 184 Cb 0.25 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1wa0 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wa0 n GLY 185 N 0.75 0.74 3.88 6.12 0.00 -0.44 -5.04 105.19 111.21 1wa0 n GLY 185 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1wa0 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa0 s LYS 186 N -0.05 3.73 0.37 1.61 1.02 -1.26 -4.84 119.74 120.32 1wa0 s LYS 186 Ca 0.00 0.12 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 1wa0 s LYS 186 Cb 0.00 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.45 1wa0 s LYS 186 CO 0.00 0.40 1.33 0.71 -0.92 0.00 0.00 175.35 176.87 1wa0 s TYR 187 N -1.71 2.88 0.31 3.18 2.02 -1.26 -1.50 117.35 121.28 1wa0 s TYR 187 Ca 0.43 1.38 -0.23 0.00 -0.37 0.00 0.00 57.07 58.29 1wa0 s TYR 187 Cb -0.12 -3.72 -0.10 0.00 -0.40 0.00 0.00 41.96 37.63 1wa0 s TYR 187 CO 0.22 -2.11 0.87 0.15 -1.57 0.00 0.00 175.55 173.12 1wa0 s LYS 188 N -2.04 4.41 -0.16 -0.62 1.02 0.16 -4.84 119.74 117.66 1wa0 s LYS 188 Ca 0.53 1.13 -0.00 0.00 0.02 0.00 0.00 55.97 57.65 1wa0 s LYS 188 Cb -0.40 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1wa0 s LYS 188 CO 0.52 0.25 -0.14 0.34 -0.92 0.00 0.00 175.35 175.41 1wa0 s ASP 189 N -1.76 3.72 -0.07 2.83 -1.08 -1.26 -4.76 116.67 114.29 1wa0 s ASP 189 Ca 0.50 -0.47 -0.01 0.00 -0.52 0.00 0.00 52.55 52.06 1wa0 s ASP 189 Cb -0.16 -1.58 -0.03 0.00 -1.46 0.00 0.00 42.92 39.69 1wa0 s ASP 189 CO 0.21 0.07 -0.02 -0.31 0.52 0.00 0.00 175.17 175.64 1wa0 s TYR 190 N 0.91 3.08 0.28 -5.34 2.02 -1.26 -5.02 117.35 112.03 1wa0 s TYR 190 Ca -0.03 0.12 0.11 0.00 -0.37 0.00 0.00 57.07 56.90 1wa0 s TYR 190 Cb -0.15 -1.75 0.42 0.00 -0.40 0.00 0.00 41.96 40.09 1wa0 s TYR 190 CO -0.01 0.43 1.65 0.00 -1.57 0.00 0.00 175.55 176.04 1wa0 h ALA 191 N 5.07 1.04 -2.44 3.71 0.00 -2.00 -3.46 119.26 121.19 1wa0 h ALA 191 Ca -0.50 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 53.69 1wa0 h ALA 191 Cb 1.18 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1wa0 h ALA 191 CO 0.54 0.72 -0.70 0.95 0.00 0.00 0.00 179.25 180.76 1wa0 s THR 192 N -3.70 0.48 0.19 0.00 -4.23 -1.26 -5.06 115.64 102.06 1wa0 s THR 192 Ca -0.01 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 1wa0 s THR 192 Cb 0.13 -1.35 0.12 0.00 1.34 0.00 0.00 72.50 72.73 1wa0 s THR 192 CO 0.75 -0.81 1.70 0.25 -0.54 0.00 0.00 174.62 175.97 1wa0 h LEU 193 N 3.39 -0.13 -1.21 4.79 5.85 -1.94 -2.69 115.31 123.37 1wa0 h LEU 193 Ca -0.35 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1wa0 h LEU 193 Cb 1.17 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1wa0 h LEU 193 CO 0.59 -0.03 0.53 0.00 -0.34 0.00 0.00 178.44 179.19 1wa0 h ALA 194 N 1.42 1.43 0.00 1.25 0.00 -1.99 -2.12 119.26 119.25 1wa0 h ALA 194 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1wa0 h ALA 194 Cb 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wa0 h ALA 194 CO -0.38 0.53 -0.07 0.93 0.00 0.00 0.00 179.25 180.27 1wa0 h GLU 195 N 1.09 0.00 0.00 0.00 5.08 -1.90 -2.66 114.58 116.19 1wa0 h GLU 195 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1wa0 h GLU 195 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1wa0 h GLU 195 CO -0.06 0.07 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1wa0 h SER 196 N 0.00 0.00 0.84 1.42 4.64 -1.32 -3.42 113.55 115.71 1wa0 h SER 196 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1wa0 h SER 196 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1wa0 h SER 196 CO 0.01 0.00 -0.40 0.22 -0.87 0.00 0.00 176.83 175.79 1wa0 h TYR 197 N 0.00 -1.05 -0.61 4.77 3.20 -1.52 -2.02 116.97 119.75 1wa0 h TYR 197 Ca 0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1wa0 h TYR 197 Cb 0.69 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 1wa0 h TYR 197 CO 0.00 -0.65 0.39 0.78 -1.64 0.00 0.00 178.16 177.04 1wa0 h GLY 198 N -1.24 0.86 1.33 1.82 0.00 -1.80 -1.33 103.07 102.71 1wa0 h GLY 198 Ca -0.12 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1wa0 h GLY 198 CO 0.19 0.28 -0.08 -0.55 0.00 0.00 0.00 176.54 176.37 1wa0 h ASP 199 N 0.78 0.79 -0.37 0.19 3.32 -1.84 -2.63 116.42 116.66 1wa0 h ASP 199 Ca 0.23 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1wa0 h ASP 199 Cb -0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1wa0 h ASP 199 CO -0.07 0.90 0.03 0.74 -1.72 0.00 0.00 179.24 179.13 1wa0 h THR 200 N 0.73 1.25 -0.97 0.35 2.02 -0.89 -2.66 112.91 112.74 1wa0 h THR 200 Ca 0.13 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.46 1wa0 h THR 200 Cb 0.57 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 1wa0 h THR 200 CO 0.03 0.31 0.63 0.58 0.37 0.00 0.00 175.52 177.44 1wa0 h VAL 201 N 0.45 1.07 -0.71 3.16 2.07 -1.10 0.25 116.25 121.44 1wa0 h VAL 201 Ca 0.11 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1wa0 h VAL 201 Cb 0.41 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1wa0 h VAL 201 CO 0.01 0.20 0.32 1.56 0.02 0.00 0.00 177.57 179.69 1wa0 h GLN 202 N 1.12 1.03 -0.31 1.57 1.08 -1.23 -1.22 115.11 117.15 1wa0 h GLN 202 Ca 0.42 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 1wa0 h GLN 202 Cb 0.19 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1wa0 h GLN 202 CO -0.17 0.83 -0.03 0.28 -0.95 0.00 0.00 178.83 178.79 1wa0 h VAL 203 N 1.00 1.27 -0.88 -0.54 2.07 -1.00 -3.06 116.25 115.10 1wa0 h VAL 203 Ca 0.24 -1.02 0.16 0.00 0.82 0.00 0.00 66.70 66.90 1wa0 h VAL 203 Cb 0.15 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 31.13 1wa0 h VAL 203 CO -0.03 0.33 0.46 0.24 0.02 0.00 0.00 177.57 178.60 1wa0 h MET 204 N 0.35 0.61 0.00 1.57 2.86 -0.13 -1.62 114.93 118.58 1wa0 h MET 204 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1wa0 h MET 204 Cb 0.49 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1wa0 h MET 204 CO 0.02 0.40 0.00 0.00 1.06 0.00 0.00 176.91 178.40 1wa0 h ARG 205 N 0.63 0.00 0.00 1.72 3.08 -1.13 0.15 114.38 118.83 1wa0 h ARG 205 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1wa0 h ARG 205 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1wa0 h ARG 205 CO -0.38 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.31 1wa0 h THR 206 N 0.00 0.00 -0.44 2.04 1.35 -1.30 -3.47 112.91 111.10 1wa0 h THR 206 Ca 0.00 -0.42 -0.19 0.00 -0.55 0.00 0.00 66.41 65.25 1wa0 h THR 206 Cb 0.44 1.30 -0.07 0.00 -1.73 0.00 0.00 68.15 68.08 1wa0 h THR 206 CO 0.00 0.00 -0.17 0.18 -0.25 0.00 0.00 175.52 175.28 1wa0 n LEU 207 N -2.61 -0.40 -4.17 3.87 4.77 0.04 -4.97 117.00 113.53 1wa0 n LEU 207 Ca 0.02 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.87 1wa0 n LEU 207 Cb 0.30 -2.09 -0.13 0.00 -2.33 0.00 0.00 43.42 39.17 1wa0 n LEU 207 CO 0.25 -0.76 -0.29 -0.89 -1.33 0.00 0.00 177.39 174.37 1wa0 s THR 208 N -2.07 3.18 0.47 -5.08 2.01 -1.26 -5.10 115.64 107.79 1wa0 s THR 208 Ca 0.00 -1.56 -0.23 0.00 0.31 0.00 0.00 61.69 60.21 1wa0 s THR 208 Cb 0.00 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.51 1wa0 s THR 208 CO 0.00 -0.30 1.27 -2.84 -0.69 0.00 0.00 174.62 172.06 1wa0 s PRO 209 N 1.24 3.61 0.16 4.92 0.02 -1.26 -4.89 135.00 138.79 1wa0 s PRO 209 Ca -0.00 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.11 1wa0 s PRO 209 Cb -0.21 -2.45 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 1wa0 s PRO 209 CO -0.02 -0.75 1.36 0.66 -0.33 0.00 0.00 177.00 177.93 1wa0 h SER 210 N 2.02 0.08 -4.99 2.53 4.64 -1.22 -3.47 113.55 113.15 1wa0 h SER 210 Ca -0.50 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 60.62 1wa0 h SER 210 Cb 1.26 -0.03 -0.20 0.00 -0.31 0.00 0.00 62.40 63.13 1wa0 h SER 210 CO 0.60 0.94 -0.31 -1.00 -0.87 0.00 0.00 176.83 176.19 1wa0 s HIS 211 N -3.01 -0.14 -0.18 4.77 3.76 -1.20 -4.92 115.29 114.38 1wa0 s HIS 211 Ca -0.01 0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1wa0 s HIS 211 Cb 0.10 0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.92 1wa0 s HIS 211 CO 0.81 -0.37 0.04 0.42 -0.85 0.00 0.00 174.74 174.80 1wa0 s ILE 212 N -1.35 0.37 0.09 0.60 1.01 -0.29 -0.56 121.20 121.07 1wa0 s ILE 212 Ca -0.14 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1wa0 s ILE 212 Cb -0.06 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1wa0 s ILE 212 CO 0.04 -0.18 -0.24 0.68 0.00 0.00 0.00 174.94 175.24 1wa0 s VAL 213 N 1.93 1.99 -0.01 2.92 -7.23 -0.28 -0.55 120.40 119.18 1wa0 s VAL 213 Ca 0.00 -1.51 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 1wa0 s VAL 213 Cb -0.16 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1wa0 s VAL 213 CO -0.08 0.15 0.77 -0.36 -0.31 0.00 0.00 175.10 175.27 1wa0 s PHE 214 N -0.97 3.66 -1.43 2.82 0.08 -1.26 -0.54 117.98 120.35 1wa0 s PHE 214 Ca 0.10 1.42 -0.08 0.00 0.12 0.00 0.00 56.93 58.49 1wa0 s PHE 214 Cb -0.10 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.54 1wa0 s PHE 214 CO 0.04 0.15 0.64 0.09 -0.10 0.00 0.00 175.22 176.04 1wa0 n ASN 215 N 3.37 -4.88 0.00 1.36 4.13 0.20 -3.03 115.26 116.40 1wa0 n ASN 215 Ca -0.01 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.84 1wa0 n ASN 215 Cb 0.51 -3.97 0.00 0.00 -1.54 0.00 0.00 39.78 34.78 1wa0 n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa0 n GLY 216 N -1.42 0.42 3.54 7.41 0.00 -1.22 -4.72 105.19 109.19 1wa0 n GLY 216 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1wa0 n GLY 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wa0 s LYS 217 N -0.91 0.94 0.14 1.61 2.20 -1.17 -4.60 119.74 117.95 1wa0 s LYS 217 Ca 0.00 0.26 -0.34 0.00 -0.36 0.00 0.00 55.97 55.53 1wa0 s LYS 217 Cb 0.00 0.44 -0.14 0.00 -1.51 0.00 0.00 37.83 36.62 1wa0 s LYS 217 CO 0.00 -0.29 1.56 0.28 -0.36 0.00 0.00 175.35 176.55 1wa0 n VAL 218 N 0.94 0.03 -1.00 4.02 0.31 0.00 -1.82 118.33 120.82 1wa0 n VAL 218 Ca -0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1wa0 n VAL 218 Cb 0.57 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1wa0 n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa0 n GLY 219 N 3.35 0.37 0.37 2.92 0.00 -1.26 -4.84 105.19 106.10 1wa0 n GLY 219 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1wa0 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa0 h ALA 220 N 0.00 1.83 -1.00 4.61 0.00 -1.58 -1.89 119.26 121.23 1wa0 h ALA 220 Ca 0.00 0.08 -0.66 0.00 0.00 0.00 0.00 54.91 54.33 1wa0 h ALA 220 Cb 0.27 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 17.68 1wa0 h ALA 220 CO 0.00 -0.22 0.29 1.28 0.00 0.00 0.00 179.25 180.61 1wa0 n LEU 221 N -4.74 6.60 -4.42 0.00 4.77 -1.26 -4.69 117.00 113.27 1wa0 n LEU 221 Ca 0.24 -4.64 -0.21 0.00 -0.03 0.00 0.00 56.01 51.37 1wa0 n LEU 221 Cb 0.66 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1wa0 n LEU 221 CO 0.22 1.79 -0.24 0.42 -1.33 0.00 0.00 177.39 178.26 1wa0 s THR 222 N -4.92 0.75 0.00 -5.08 -4.23 -0.71 -0.84 115.64 100.62 1wa0 s THR 222 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1wa0 s THR 222 Cb 0.46 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1wa0 s THR 222 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1wa0 n GLY 223 N -0.68 3.51 0.32 3.99 0.00 -1.26 -1.20 105.19 109.86 1wa0 n GLY 223 Ca -0.02 0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1wa0 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa0 h ALA 224 N -0.75 1.10 -0.58 4.61 0.00 -1.96 -1.89 119.26 119.78 1wa0 h ALA 224 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wa0 h ALA 224 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wa0 h ALA 224 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1wa0 n ASN 225 N -3.23 3.67 -4.62 0.00 3.02 -0.34 -4.98 115.26 108.77 1wa0 n ASN 225 Ca -0.02 -2.06 -0.41 0.00 -0.03 0.00 0.00 54.58 52.06 1wa0 n ASN 225 Cb 0.12 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1wa0 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wa0 n ALA 226 N 1.17 0.31 -1.07 5.41 0.00 -0.71 -3.98 120.51 121.63 1wa0 n ALA 226 Ca 0.20 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 1wa0 n ALA 226 Cb 0.58 -2.11 0.12 0.00 0.00 0.00 0.00 19.45 18.05 1wa0 n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wa0 s LEU 227 N -0.88 2.90 0.04 0.00 1.43 -0.39 -4.84 118.68 116.94 1wa0 s LEU 227 Ca 0.65 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 1wa0 s LEU 227 Cb -0.53 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.19 1wa0 s LEU 227 CO 0.55 -2.44 -0.08 0.42 0.23 0.00 0.00 176.35 175.03 1wa0 s THR 228 N -2.82 0.57 0.39 5.49 -4.23 -1.26 -0.53 115.64 113.25 1wa0 s THR 228 Ca 0.63 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.95 1wa0 s THR 228 Cb -0.19 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.07 1wa0 s THR 228 CO 0.57 -0.35 0.74 0.00 -0.54 0.00 0.00 174.62 175.03 1wa0 s ALA 229 N -1.33 -0.41 0.12 3.99 0.00 -0.89 -4.93 121.76 118.31 1wa0 s ALA 229 Ca -0.09 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.00 1wa0 s ALA 229 Cb -0.10 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1wa0 s ALA 229 CO 0.01 -0.95 -0.16 0.15 0.00 0.00 0.00 175.76 174.81 1wa0 s LYS 230 N -2.30 1.04 0.15 0.00 3.01 -1.26 -1.60 119.74 118.79 1wa0 s LYS 230 Ca 0.19 -1.20 -0.34 0.00 -1.01 0.00 0.00 55.97 53.61 1wa0 s LYS 230 Cb -0.04 -1.03 -0.15 0.00 -1.01 0.00 0.00 37.83 35.59 1wa0 s LYS 230 CO 0.14 0.21 1.31 0.28 0.51 0.00 0.00 175.35 177.80 1wa0 n VAL 231 N 0.73 0.51 0.00 3.17 0.31 0.09 -1.25 118.33 121.89 1wa0 n VAL 231 Ca -0.17 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1wa0 n VAL 231 Cb 0.56 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1wa0 n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa0 n GLY 232 N 2.37 1.40 3.80 2.92 0.00 0.02 -4.99 105.19 110.72 1wa0 n GLY 232 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1wa0 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wa0 s GLU 233 N -0.57 4.21 -0.22 1.61 2.12 -0.38 -4.84 118.70 120.63 1wa0 s GLU 233 Ca 0.00 0.73 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 1wa0 s GLU 233 Cb 0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1wa0 s GLU 233 CO 0.00 0.60 0.23 0.99 -0.54 0.00 0.00 175.26 176.54 1wa0 s THR 234 N -0.96 5.31 -0.04 -1.70 2.01 -1.26 -1.85 115.64 117.15 1wa0 s THR 234 Ca 0.29 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1wa0 s THR 234 Cb -0.19 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1wa0 s THR 234 CO 0.19 0.33 -0.03 0.68 -0.69 0.00 0.00 174.62 175.09 1wa0 s VAL 235 N 1.06 3.95 -0.22 3.82 -7.23 0.08 -0.56 120.40 121.29 1wa0 s VAL 235 Ca 0.11 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 1wa0 s VAL 235 Cb -0.14 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1wa0 s VAL 235 CO 0.05 0.49 0.22 -0.22 -0.31 0.00 0.00 175.10 175.33 1wa0 s LEU 236 N -1.17 4.15 -0.37 1.32 2.96 -0.05 -1.50 118.68 124.01 1wa0 s LEU 236 Ca 0.16 0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1wa0 s LEU 236 Cb -0.11 -2.22 0.08 0.00 0.50 0.00 0.00 46.19 44.44 1wa0 s LEU 236 CO 0.05 0.06 0.16 -0.76 -1.32 0.00 0.00 176.35 174.54 1wa0 s LEU 237 N 0.94 4.76 -0.10 -0.68 1.43 0.11 -0.74 118.68 124.40 1wa0 s LEU 237 Ca 0.11 -1.56 -0.22 0.00 -1.03 0.00 0.00 54.13 51.42 1wa0 s LEU 237 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1wa0 s LEU 237 CO 0.04 -0.44 0.66 -0.63 0.23 0.00 0.00 176.35 176.21 1wa0 s ILE 238 N 1.29 5.05 -0.14 -0.59 1.01 -0.50 -1.56 121.20 125.76 1wa0 s ILE 238 Ca 0.02 1.34 -0.00 0.00 0.00 0.00 0.00 60.65 62.00 1wa0 s ILE 238 Cb -0.22 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1wa0 s ILE 238 CO -0.01 0.23 -0.07 -2.28 0.00 0.00 0.00 174.94 172.81 1wa0 s HIS 239 N 1.04 1.68 -0.02 3.97 2.46 -0.48 -0.40 115.29 123.52 1wa0 s HIS 239 Ca 0.34 -0.96 0.03 0.00 0.47 0.00 0.00 55.06 54.94 1wa0 s HIS 239 Cb -0.17 -1.32 -0.03 0.00 -0.13 0.00 0.00 32.58 30.93 1wa0 s HIS 239 CO 0.15 -0.58 -0.10 -1.54 -2.47 0.00 0.00 174.74 170.20 1wa0 s SER 240 N 1.64 4.38 -0.26 9.88 1.04 -0.27 -1.20 113.70 128.92 1wa0 s SER 240 Ca 0.03 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 1wa0 s SER 240 Cb -0.14 -0.99 0.12 0.00 0.10 0.00 0.00 66.02 65.11 1wa0 s SER 240 CO -0.08 0.32 0.25 -1.58 0.98 0.00 0.00 173.24 173.13 1wa0 s GLN 241 N -1.08 0.27 0.03 4.02 -0.44 -0.74 -1.25 119.66 120.47 1wa0 s GLN 241 Ca 0.14 -0.07 0.28 0.00 -2.50 0.00 0.00 55.36 53.21 1wa0 s GLN 241 Cb -0.11 -0.88 1.17 0.00 -1.64 0.00 0.00 33.01 31.55 1wa0 s GLN 241 CO 0.04 -0.91 1.90 0.00 0.50 0.00 0.00 175.29 176.82 1wa0 n ALA 242 N 5.31 2.31 0.00 1.58 0.00 -1.26 -0.27 120.51 128.17 1wa0 n ALA 242 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wa0 n ALA 242 Cb 0.47 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1wa0 n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wa0 n ASN 243 N -1.60 1.98 -3.72 0.00 5.15 -1.26 -3.04 115.26 112.77 1wa0 n ASN 243 Ca 0.07 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.91 1wa0 n ASN 243 Cb 0.35 0.35 -0.09 0.00 -0.53 0.00 0.00 39.78 39.86 1wa0 n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1wa0 s ARG 244 N -0.93 0.62 0.59 1.20 3.52 -1.26 -4.68 118.95 118.02 1wa0 s ARG 244 Ca 0.00 0.27 -0.19 0.00 -0.13 0.00 0.00 55.73 55.68 1wa0 s ARG 244 Cb 0.00 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 1wa0 s ARG 244 CO 0.00 -0.13 1.27 -0.51 -0.81 0.00 0.00 175.30 175.12 1wa0 s ASP 245 N -0.50 5.05 0.21 -2.12 1.01 -1.26 -3.68 116.67 115.38 1wa0 s ASP 245 Ca -0.06 2.56 -0.06 0.00 0.71 0.00 0.00 52.55 55.69 1wa0 s ASP 245 Cb -0.03 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1wa0 s ASP 245 CO 0.03 -1.70 0.27 0.28 0.21 0.00 0.00 175.17 174.26 1wa0 s THR 246 N -1.45 0.02 -0.42 -1.27 -1.32 -0.64 -4.88 115.64 105.67 1wa0 s THR 246 Ca 0.77 -1.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.60 1wa0 s THR 246 Cb -0.35 -2.26 0.16 0.00 -1.51 0.00 0.00 72.50 68.54 1wa0 s THR 246 CO 0.39 -0.08 0.32 0.00 -2.21 0.00 0.00 174.62 173.04 1wa0 s ARG 247 N -4.07 0.98 0.49 7.08 1.70 -1.26 -1.02 118.95 122.85 1wa0 s ARG 247 Ca 0.29 -2.06 -0.23 0.00 -0.47 0.00 0.00 55.73 53.25 1wa0 s ARG 247 Cb 0.04 -1.59 -0.07 0.00 -0.57 0.00 0.00 34.95 32.76 1wa0 s ARG 247 CO 0.08 -1.34 1.30 -2.14 -1.08 0.00 0.00 175.30 172.13 1wa0 s PRO 248 N 0.14 3.51 -0.15 3.89 0.02 -1.14 -0.52 135.00 140.75 1wa0 s PRO 248 Ca 0.29 2.11 -0.13 0.00 0.02 0.00 0.00 61.00 63.29 1wa0 s PRO 248 Cb -0.03 -2.43 0.04 0.00 0.02 0.00 0.00 34.50 32.10 1wa0 s PRO 248 CO -0.15 -0.86 0.39 -1.58 -0.33 0.00 0.00 177.00 174.48 1wa0 s HIS 249 N -1.35 -0.43 -0.34 6.54 2.46 -0.10 -1.48 115.29 120.60 1wa0 s HIS 249 Ca 0.66 1.05 -0.09 0.00 0.47 0.00 0.00 55.06 57.14 1wa0 s HIS 249 Cb -0.37 0.15 0.02 0.00 -0.13 0.00 0.00 32.58 32.25 1wa0 s HIS 249 CO 0.45 -0.21 0.15 -1.17 -2.47 0.00 0.00 174.74 171.50 1wa0 s LEU 250 N 0.22 4.34 0.00 8.88 2.96 -1.26 -1.25 118.68 132.58 1wa0 s LEU 250 Ca -0.00 -0.86 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 1wa0 s LEU 250 Cb -0.03 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 1wa0 s LEU 250 CO 0.00 -0.29 1.44 -0.63 -1.32 0.00 0.00 176.35 175.55 1wa0 s ILE 251 N 1.53 3.64 0.00 6.68 1.01 0.27 -1.45 121.20 132.88 1wa0 s ILE 251 Ca 0.02 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1wa0 s ILE 251 Cb -0.18 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1wa0 s ILE 251 CO 0.05 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1wa0 n GLY 252 N 3.71 0.84 0.00 6.18 0.00 -1.26 -4.11 105.19 110.54 1wa0 n GLY 252 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wa0 n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa0 n GLY 253 N -2.27 5.74 3.46 -0.02 0.00 -0.53 -5.02 105.19 106.55 1wa0 n GLY 253 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 1wa0 n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wa0 s HIS 254 N -0.58 0.43 -0.50 1.61 3.76 -1.26 -4.73 115.29 114.02 1wa0 s HIS 254 Ca 0.00 -0.78 -0.21 0.00 -0.15 0.00 0.00 55.06 53.93 1wa0 s HIS 254 Cb 0.00 0.04 0.04 0.00 1.11 0.00 0.00 32.58 33.77 1wa0 s HIS 254 CO 0.00 -0.86 0.71 0.20 -0.85 0.00 0.00 174.74 173.94 1wa0 s GLY 255 N -3.01 1.66 0.08 -2.22 0.00 -0.08 -4.71 107.32 99.04 1wa0 s GLY 255 Ca 0.22 -1.46 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 1wa0 s GLY 255 CO 0.06 1.64 1.43 -0.55 0.00 0.00 0.00 173.10 175.68 1wa0 h ASP 256 N 9.04 0.52 -3.35 1.64 3.32 -1.05 -1.39 116.42 125.15 1wa0 h ASP 256 Ca -0.27 -0.41 -0.41 0.00 0.02 0.00 0.00 57.03 55.96 1wa0 h ASP 256 Cb 1.09 -0.14 -0.36 0.00 0.22 0.00 0.00 39.33 40.13 1wa0 h ASP 256 CO 0.98 0.82 -0.76 0.26 -1.72 0.00 0.00 179.24 178.82 1wa0 s TRP 257 N -4.57 0.57 -0.04 4.55 0.52 -1.12 -2.94 118.94 115.91 1wa0 s TRP 257 Ca -0.13 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1wa0 s TRP 257 Cb 0.07 -0.67 0.02 0.00 -1.15 0.00 0.00 33.47 31.74 1wa0 s TRP 257 CO 0.78 -0.25 -0.07 0.08 0.02 0.00 0.00 176.95 177.51 1wa0 s VAL 258 N 1.57 0.68 -0.81 4.03 1.01 0.48 -0.49 120.40 126.87 1wa0 s VAL 258 Ca -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1wa0 s VAL 258 Cb -0.13 -0.66 0.21 0.00 0.00 0.00 0.00 36.38 35.79 1wa0 s VAL 258 CO -0.03 0.25 0.69 0.26 0.00 0.00 0.00 175.10 176.27 1wa0 s TRP 259 N 0.70 3.74 0.31 5.22 0.51 -0.22 -1.07 118.94 128.13 1wa0 s TRP 259 Ca -0.11 -2.74 0.07 0.00 -2.12 0.00 0.00 56.10 51.21 1wa0 s TRP 259 Cb -0.13 -3.37 0.53 0.00 -0.81 0.00 0.00 33.47 29.68 1wa0 s TRP 259 CO 0.01 -0.83 1.75 1.05 -0.51 0.00 0.00 176.95 178.42 1wa0 h GLU 260 N 6.68 0.28 -0.00 4.98 4.11 -1.86 -0.37 114.58 128.40 1wa0 h GLU 260 Ca 0.09 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1wa0 h GLU 260 Cb 0.90 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wa0 h GLU 260 CO 0.80 0.57 -0.08 0.25 0.07 0.00 0.00 179.01 180.62 1wa0 n THR 261 N -4.10 0.00 -1.51 -1.06 -2.24 -1.26 -4.26 114.28 99.85 1wa0 n THR 261 Ca -0.01 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1wa0 n THR 261 Cb 0.42 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1wa0 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa0 n GLY 262 N 1.36 0.40 2.97 3.38 0.00 -0.19 -4.79 105.19 108.32 1wa0 n GLY 262 Ca 0.12 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 1wa0 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa0 s LYS 263 N -3.04 1.70 0.22 1.61 -0.14 -1.26 -0.06 119.74 118.76 1wa0 s LYS 263 Ca 0.00 -1.18 0.23 0.00 -1.36 0.00 0.00 55.97 53.65 1wa0 s LYS 263 Cb 0.00 -2.70 0.93 0.00 -1.68 0.00 0.00 37.83 34.38 1wa0 s LYS 263 CO 0.00 -0.65 1.69 1.19 -0.76 0.00 0.00 175.35 176.81 1wa0 n PHE 264 N 4.58 0.70 0.58 3.18 3.72 -1.17 -1.82 117.46 127.23 1wa0 n PHE 264 Ca -0.10 0.27 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 1wa0 n PHE 264 Cb 0.43 -0.94 0.43 0.00 -0.94 0.00 0.00 39.48 38.47 1wa0 n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wa0 n ALA 265 N -1.74 1.87 -2.55 4.37 0.00 -1.26 -4.74 120.51 116.46 1wa0 n ALA 265 Ca 0.03 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1wa0 n ALA 265 Cb 0.24 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1wa0 n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wa0 s ASN 266 N -3.59 6.66 0.36 0.00 0.01 -0.76 -5.06 114.94 112.57 1wa0 s ASN 266 Ca 0.08 0.82 -0.28 0.00 -0.71 0.00 0.00 52.86 52.77 1wa0 s ASN 266 Cb 0.12 -2.19 -0.11 0.00 0.41 0.00 0.00 41.25 39.48 1wa0 s ASN 266 CO 0.40 0.16 1.46 -2.16 -1.51 0.00 0.00 177.10 175.45 1wa0 s PRO 267 N -1.92 4.16 0.67 -0.60 0.04 -1.26 -4.97 135.00 131.12 1wa0 s PRO 267 Ca 0.34 2.50 -0.12 0.00 0.04 0.00 0.00 61.00 63.76 1wa0 s PRO 267 Cb -0.14 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 1wa0 s PRO 267 CO 0.18 -0.48 1.05 -1.25 0.04 0.00 0.00 177.00 176.55 1wa0 s PRO 268 N -1.89 3.09 0.21 0.56 0.04 -1.26 -4.95 135.00 130.80 1wa0 s PRO 268 Ca 0.53 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 1wa0 s PRO 268 Cb -0.45 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 1wa0 s PRO 268 CO 0.60 -0.98 0.49 -0.65 0.04 0.00 0.00 177.00 176.49 1wa0 s GLN 269 N -4.86 3.70 0.25 4.56 -0.21 -0.23 -4.71 119.66 118.16 1wa0 s GLN 269 Ca 0.59 0.08 0.10 0.00 0.02 0.00 0.00 55.36 56.15 1wa0 s GLN 269 Cb -0.14 -2.72 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 1wa0 s GLN 269 CO 0.51 0.35 -0.11 -0.98 -2.12 0.00 0.00 175.29 172.94 1wa0 s ARG 270 N -2.91 1.97 -1.31 2.91 1.70 -1.26 -0.38 118.95 119.67 1wa0 s ARG 270 Ca 0.44 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1wa0 s ARG 270 Cb -0.11 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 1wa0 s ARG 270 CO 0.24 0.37 0.00 -0.25 -1.08 0.00 0.00 175.30 174.58 1wa0 n ASP 271 N -0.52 -4.44 -4.77 -2.89 8.00 -0.90 -4.98 116.55 106.06 1wa0 n ASP 271 Ca -0.07 0.22 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 1wa0 n ASP 271 Cb 0.58 -3.25 -0.00 0.00 -0.02 0.00 0.00 41.12 38.43 1wa0 n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wa0 s LEU 272 N -3.22 4.24 -0.12 0.64 1.43 -0.57 -4.77 118.68 116.29 1wa0 s LEU 272 Ca 0.00 2.72 -0.21 0.00 -1.03 0.00 0.00 54.13 55.60 1wa0 s LEU 272 Cb 0.00 -3.86 -0.26 0.00 0.03 0.00 0.00 46.19 42.10 1wa0 s LEU 272 CO 0.00 -0.84 0.61 1.05 0.23 0.00 0.00 176.35 177.40 1wa0 h GLU 273 N 2.76 0.14 -3.43 1.70 4.11 -1.91 -0.17 114.58 117.78 1wa0 h GLU 273 Ca -0.50 -0.25 -0.22 0.00 0.07 0.00 0.00 59.36 58.47 1wa0 h GLU 273 Cb 1.24 0.09 -0.28 0.00 0.50 0.00 0.00 28.75 30.30 1wa0 h GLU 273 CO 0.63 1.12 -0.61 0.99 0.07 0.00 0.00 179.01 181.21 1wa0 s THR 274 N -2.38 -0.01 0.53 -1.06 2.01 -1.26 -4.29 115.64 109.17 1wa0 s THR 274 Ca -0.20 0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1wa0 s THR 274 Cb 0.02 -0.17 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 1wa0 s THR 274 CO 0.73 0.02 0.02 -1.66 -0.69 0.00 0.00 174.62 173.04 1wa0 s TRP 275 N 0.36 1.75 -0.10 4.92 -2.14 -0.55 -4.99 118.94 118.20 1wa0 s TRP 275 Ca -0.03 -0.99 -0.01 0.00 2.66 0.00 0.00 56.10 57.74 1wa0 s TRP 275 Cb -0.04 -1.60 0.03 0.00 -3.10 0.00 0.00 33.47 28.75 1wa0 s TRP 275 CO -0.01 0.16 -0.06 0.12 -2.66 0.00 0.00 176.95 174.50 1wa0 s PHE 276 N -2.90 1.27 -0.35 1.66 5.36 -1.26 -2.89 117.98 118.87 1wa0 s PHE 276 Ca 0.03 -0.58 -0.12 0.00 -0.96 0.00 0.00 56.93 55.30 1wa0 s PHE 276 Cb 0.00 -1.11 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 1wa0 s PHE 276 CO 0.02 -0.45 0.21 0.42 -1.46 0.00 0.00 175.22 173.95 1wa0 s ILE 277 N 1.73 4.88 0.28 3.12 -1.09 -0.19 -4.52 121.20 125.40 1wa0 s ILE 277 Ca 0.04 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.66 1wa0 s ILE 277 Cb -0.13 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 37.07 1wa0 s ILE 277 CO -0.07 -0.08 1.39 -0.13 -1.23 0.00 0.00 174.94 174.82 1wa0 s ARG 278 N 1.64 4.29 0.15 2.79 0.52 -1.26 -1.62 118.95 125.45 1wa0 s ARG 278 Ca 0.04 2.28 -0.34 0.00 -0.52 0.00 0.00 55.73 57.19 1wa0 s ARG 278 Cb -0.18 -3.09 -0.15 0.00 0.52 0.00 0.00 34.95 32.05 1wa0 s ARG 278 CO 0.08 -0.34 1.47 0.41 0.02 0.00 0.00 175.30 176.94 1wa0 n GLY 279 N 1.66 0.84 1.23 -3.53 0.00 -1.24 -1.78 105.19 102.36 1wa0 n GLY 279 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1wa0 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa0 n GLY 280 N 2.96 0.82 3.53 -0.02 0.00 0.62 -4.74 105.19 108.36 1wa0 n GLY 280 Ca 0.17 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1wa0 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wa0 s SER 281 N -2.61 -0.12 -0.01 1.61 1.04 -0.73 -4.82 113.70 108.05 1wa0 s SER 281 Ca 0.00 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 55.73 1wa0 s SER 281 Cb 0.00 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1wa0 s SER 281 CO 0.00 -1.07 -0.23 0.00 0.98 0.00 0.00 173.24 172.92 1wa0 s ALA 282 N -3.96 1.92 0.43 5.32 0.00 -1.26 -1.79 121.76 122.42 1wa0 s ALA 282 Ca 0.17 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1wa0 s ALA 282 Cb -0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1wa0 s ALA 282 CO 0.04 0.47 0.03 0.20 0.00 0.00 0.00 175.76 176.50 1wa0 s GLY 283 N -0.58 2.63 -0.09 0.00 0.00 -0.34 -3.74 107.32 105.20 1wa0 s GLY 283 Ca 0.09 -1.46 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 1wa0 s GLY 283 CO -0.01 -2.05 0.23 0.00 0.00 0.00 0.00 173.10 171.27 1wa0 s ALA 284 N -2.93 -0.52 -0.01 3.20 0.00 -0.96 -1.39 121.76 119.15 1wa0 s ALA 284 Ca 0.24 0.87 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1wa0 s ALA 284 Cb 0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1wa0 s ALA 284 CO 0.12 -0.17 -0.17 0.00 0.00 0.00 0.00 175.76 175.53 1wa0 s ALA 285 N 0.99 1.45 -0.10 0.00 0.00 -0.60 -1.06 121.76 122.44 1wa0 s ALA 285 Ca -0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1wa0 s ALA 285 Cb -0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1wa0 s ALA 285 CO -0.06 0.35 0.11 -0.51 0.00 0.00 0.00 175.76 175.65 1wa0 s LEU 286 N -0.39 4.21 -0.07 0.00 1.43 0.36 -0.71 118.68 123.51 1wa0 s LEU 286 Ca 0.06 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1wa0 s LEU 286 Cb -0.07 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1wa0 s LEU 286 CO -0.01 0.38 0.17 -0.47 0.23 0.00 0.00 176.35 176.65 1wa0 s TYR 287 N -1.04 -0.19 -0.30 0.29 5.04 -0.56 -0.43 117.35 120.16 1wa0 s TYR 287 Ca 0.16 0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 55.20 1wa0 s TYR 287 Cb -0.12 -0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.16 1wa0 s TYR 287 CO 0.06 -0.14 0.16 0.99 -1.34 0.00 0.00 175.55 175.28 1wa0 s THR 288 N 0.75 4.86 0.24 4.34 2.01 -1.26 -0.75 115.64 125.83 1wa0 s THR 288 Ca -0.05 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1wa0 s THR 288 Cb -0.07 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 1wa0 s THR 288 CO -0.04 0.15 1.41 -0.36 -0.69 0.00 0.00 174.62 175.08 1wa0 s PHE 289 N 1.67 3.07 0.00 4.92 0.08 -0.77 -4.89 117.98 122.06 1wa0 s PHE 289 Ca 0.06 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.20 1wa0 s PHE 289 Cb -0.16 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1wa0 s PHE 289 CO 0.08 -2.46 0.00 1.63 -0.10 0.00 0.00 175.22 174.37 1wa0 n LYS 290 N 2.32 3.93 -4.21 0.44 5.02 -1.26 -0.80 118.16 123.61 1wa0 n LYS 290 Ca 0.06 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 1wa0 n LYS 290 Cb 0.41 -0.69 -0.14 0.00 -0.02 0.00 0.00 35.03 34.59 1wa0 n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wa0 s GLN 291 N -1.37 0.58 0.78 1.97 -1.52 -1.26 -4.64 119.66 114.20 1wa0 s GLN 291 Ca 0.00 -0.41 -0.11 0.00 -1.95 0.00 0.00 55.36 52.89 1wa0 s GLN 291 Cb 0.00 -0.52 0.07 0.00 -0.22 0.00 0.00 33.01 32.35 1wa0 s GLN 291 CO 0.00 0.13 1.14 -1.25 -0.25 0.00 0.00 175.29 175.06 1wa0 s PRO 292 N -0.59 2.04 0.00 2.91 0.04 -1.26 -4.81 135.00 133.32 1wa0 s PRO 292 Ca -0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1wa0 s PRO 292 Cb -0.05 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wa0 s PRO 292 CO 0.00 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.95 1wa0 n GLY 293 N -3.21 0.77 3.49 0.56 0.00 0.39 -4.96 105.19 102.23 1wa0 n GLY 293 Ca 0.08 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 1wa0 n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wa0 s VAL 294 N -0.86 5.00 0.31 1.61 1.01 -1.26 -0.82 120.40 125.38 1wa0 s VAL 294 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1wa0 s VAL 294 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1wa0 s VAL 294 CO 0.00 0.02 0.52 -0.31 0.00 0.00 0.00 175.10 175.33 1wa0 s TYR 295 N 1.68 3.49 -0.08 5.22 1.51 0.15 -4.93 117.35 124.39 1wa0 s TYR 295 Ca 0.05 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 1wa0 s TYR 295 Cb -0.17 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1wa0 s TYR 295 CO 0.09 0.18 -0.06 0.00 -1.11 0.00 0.00 175.55 174.65 1wa0 s ALA 296 N -2.18 2.98 -0.20 3.71 0.00 -1.26 -1.32 121.76 123.50 1wa0 s ALA 296 Ca 0.40 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 1wa0 s ALA 296 Cb -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.75 1wa0 s ALA 296 CO 0.33 0.53 -0.12 -0.47 0.00 0.00 0.00 175.76 176.03 1wa0 s TYR 297 N -0.65 2.88 0.16 0.00 5.04 -0.04 -0.56 117.35 124.17 1wa0 s TYR 297 Ca 0.10 -1.33 -0.16 0.00 -2.44 0.00 0.00 57.07 53.24 1wa0 s TYR 297 Cb -0.11 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 40.21 1wa0 s TYR 297 CO 0.02 -0.69 0.44 -0.48 -1.34 0.00 0.00 175.55 173.50 1wa0 s LEU 298 N 1.37 0.30 -0.12 6.97 0.05 -0.38 -0.51 118.68 126.36 1wa0 s LEU 298 Ca 0.05 -0.43 -0.29 0.00 0.05 0.00 0.00 54.13 53.51 1wa0 s LEU 298 Cb -0.14 1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 45.89 1wa0 s LEU 298 CO -0.08 -0.94 1.42 0.21 -0.55 0.00 0.00 176.35 176.41 1wa0 s ASN 299 N -2.85 6.82 -0.13 1.48 3.84 -0.76 -0.92 114.94 122.43 1wa0 s ASN 299 Ca 0.07 1.90 0.03 0.00 0.21 0.00 0.00 52.86 55.06 1wa0 s ASN 299 Cb 0.01 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.44 1wa0 s ASN 299 CO -0.07 -0.84 1.15 1.57 -2.79 0.00 0.00 177.10 176.12 1wa0 n HIS 300 N 6.86 0.94 -2.82 0.43 -0.00 0.32 -4.06 115.22 116.89 1wa0 n HIS 300 Ca 0.15 -0.65 -0.43 0.00 -0.00 0.00 0.00 57.72 56.80 1wa0 n HIS 300 Cb 0.44 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 1wa0 n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1wa0 s ASN 301 N -0.03 6.30 0.53 0.26 3.84 -1.26 -4.92 114.94 119.66 1wa0 s ASN 301 Ca 0.20 -0.47 0.31 0.00 0.21 0.00 0.00 52.86 53.11 1wa0 s ASN 301 Cb 0.16 -2.44 1.44 0.00 -0.55 0.00 0.00 41.25 39.87 1wa0 s ASN 301 CO 0.05 -1.30 2.03 -0.07 -2.79 0.00 0.00 177.10 175.02 1wa0 h LEU 302 N 11.16 0.00 -0.03 3.21 3.38 -2.00 -0.76 115.31 130.27 1wa0 h LEU 302 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1wa0 h LEU 302 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wa0 h LEU 302 CO 1.12 0.09 -0.01 0.40 0.09 0.00 0.00 178.44 180.13 1wa0 h ILE 303 N 0.00 1.29 -0.88 1.22 2.04 -1.91 -0.45 117.51 118.81 1wa0 h ILE 303 Ca -0.00 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.06 1wa0 h ILE 303 Cb 0.44 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1wa0 h ILE 303 CO 0.01 0.23 0.57 -0.33 0.00 0.00 0.00 178.15 178.64 1wa0 h GLU 304 N -0.28 0.93 0.28 2.37 5.08 -1.53 -0.60 114.58 120.84 1wa0 h GLU 304 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1wa0 h GLU 304 Cb 0.38 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1wa0 h GLU 304 CO 0.00 0.62 -0.14 0.00 -1.00 0.00 0.00 179.01 178.49 1wa0 h ALA 305 N 1.53 -0.51 0.15 3.43 0.00 -1.16 -1.59 119.26 121.12 1wa0 h ALA 305 Ca 0.39 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.91 1wa0 h ALA 305 Cb 0.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wa0 h ALA 305 CO -0.15 -0.48 -1.47 0.74 0.00 0.00 0.00 179.25 177.88 1wa0 h PHE 306 N -0.79 0.56 0.12 0.00 0.04 -1.08 -2.38 116.94 113.40 1wa0 h PHE 306 Ca -0.04 -0.41 -0.26 0.00 2.80 0.00 0.00 57.97 60.06 1wa0 h PHE 306 Cb 0.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1wa0 h PHE 306 CO 0.03 1.41 -1.33 0.93 -0.60 0.00 0.00 178.31 178.75 1wa0 h GLU 307 N 0.08 0.25 0.00 1.51 4.39 -1.28 -3.41 114.58 116.13 1wa0 h GLU 307 Ca -0.23 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.05 1wa0 h GLU 307 Cb 2.04 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1wa0 h GLU 307 CO 0.19 1.20 -1.22 1.28 -1.16 0.00 0.00 179.01 179.31 1wa0 n LEU 308 N -3.95 0.65 0.00 1.33 4.77 -0.73 -5.01 117.00 114.07 1wa0 n LEU 308 Ca -0.23 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1wa0 n LEU 308 Cb 0.89 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1wa0 n LEU 308 CO 0.42 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1wa0 n GLY 309 N 1.41 1.00 2.88 -0.72 0.00 -0.76 -1.14 105.19 107.86 1wa0 n GLY 309 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wa0 n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa0 n ALA 310 N -0.23 5.31 -3.63 4.61 0.00 0.29 -3.99 120.51 122.87 1wa0 n ALA 310 Ca 0.00 -4.22 -0.13 0.00 0.00 0.00 0.00 53.44 49.09 1wa0 n ALA 310 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 19.45 16.28 1wa0 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wa0 s ALA 311 N 1.03 -1.81 0.33 0.00 0.00 -1.26 -1.83 121.76 118.22 1wa0 s ALA 311 Ca 0.41 2.03 0.06 0.00 0.00 0.00 0.00 51.96 54.46 1wa0 s ALA 311 Cb 0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1wa0 s ALA 311 CO -0.01 -0.33 0.21 0.41 0.00 0.00 0.00 175.76 176.04 1wa0 n GLY 312 N 2.71 3.12 3.29 0.00 0.00 0.34 -4.54 105.19 110.10 1wa0 n GLY 312 Ca -0.14 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 1wa0 n GLY 312 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wa0 s HIS 313 N -3.14 1.80 -0.11 1.61 3.76 -0.02 -0.86 115.29 118.33 1wa0 s HIS 313 Ca 0.30 -0.42 -0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1wa0 s HIS 313 Cb 0.01 -0.99 0.02 0.00 1.11 0.00 0.00 32.58 32.74 1wa0 s HIS 313 CO 0.21 0.21 -0.08 0.42 -0.85 0.00 0.00 174.74 174.65 1wa0 s ILE 314 N -1.17 1.08 -0.29 0.60 1.01 -0.43 -1.26 121.20 120.73 1wa0 s ILE 314 Ca 0.07 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 1wa0 s ILE 314 Cb -0.10 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1wa0 s ILE 314 CO 0.04 0.37 0.29 -0.75 0.00 0.00 0.00 174.94 174.90 1wa0 s LYS 315 N 1.63 3.89 -0.16 2.79 2.20 0.31 -0.67 119.74 129.72 1wa0 s LYS 315 Ca 0.04 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1wa0 s LYS 315 Cb -0.13 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1wa0 s LYS 315 CO -0.08 -0.29 -0.19 0.08 -0.36 0.00 0.00 175.35 174.52 1wa0 s VAL 316 N 1.92 2.27 0.36 4.02 1.01 -0.00 -2.10 120.40 127.88 1wa0 s VAL 316 Ca 0.11 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1wa0 s VAL 316 Cb -0.16 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.21 1wa0 s VAL 316 CO 0.11 0.53 0.69 -1.61 0.00 0.00 0.00 175.10 174.81 1wa0 s GLU 317 N 1.04 3.74 0.00 2.72 0.41 -0.62 -0.46 118.70 125.52 1wa0 s GLU 317 Ca -0.01 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 1wa0 s GLU 317 Cb -0.14 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.72 1wa0 s GLU 317 CO -0.06 0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.19 1wa0 n GLY 318 N -1.10 0.97 3.76 -1.39 0.00 -1.26 -0.73 105.19 105.44 1wa0 n GLY 318 Ca 0.01 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1wa0 n GLY 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wa0 s LYS 319 N -1.94 4.06 0.39 1.61 2.20 -1.26 -4.66 119.74 120.14 1wa0 s LYS 319 Ca 0.00 -0.15 -0.27 0.00 -0.36 0.00 0.00 55.97 55.20 1wa0 s LYS 319 Cb 0.00 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1wa0 s LYS 319 CO 0.00 0.38 1.35 -0.46 -0.36 0.00 0.00 175.35 176.27 1wa0 s TRP 320 N 0.10 2.79 -0.30 4.03 -0.11 -1.26 -4.47 118.94 119.71 1wa0 s TRP 320 Ca 0.11 1.35 0.02 0.00 1.22 0.00 0.00 56.10 58.79 1wa0 s TRP 320 Cb -0.12 -3.77 0.07 0.00 -1.50 0.00 0.00 33.47 28.16 1wa0 s TRP 320 CO 0.00 -2.31 -0.02 1.21 -4.62 0.00 0.00 176.95 171.21 1wa0 s ASN 321 N -0.54 4.69 0.47 5.86 3.84 -1.26 -4.99 114.94 123.01 1wa0 s ASN 321 Ca 0.55 -1.62 0.27 0.00 0.21 0.00 0.00 52.86 52.26 1wa0 s ASN 321 Cb -0.41 -1.63 0.82 0.00 -0.55 0.00 0.00 41.25 39.49 1wa0 s ASN 321 CO 0.53 -0.28 1.78 0.44 -2.79 0.00 0.00 177.10 176.78 1wa0 h ASP 322 N 7.80 0.00 -0.56 -4.21 3.32 -1.96 -2.75 116.42 118.06 1wa0 h ASP 322 Ca -0.15 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1wa0 h ASP 322 Cb 1.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1wa0 h ASP 322 CO 0.51 0.09 0.01 -0.78 -1.72 0.00 0.00 179.24 177.35 1wa0 h ASP 323 N 0.00 0.96 -0.26 6.45 3.58 -2.02 -3.22 116.42 121.92 1wa0 h ASP 323 Ca -0.00 -0.30 -0.18 0.00 0.42 0.00 0.00 57.03 56.96 1wa0 h ASP 323 Cb 0.80 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1wa0 h ASP 323 CO 0.01 1.03 -0.55 -0.07 -2.88 0.00 0.00 179.24 176.78 1wa0 h LEU 324 N 0.87 0.93 -7.11 2.28 3.38 -1.93 -3.45 115.31 110.27 1wa0 h LEU 324 Ca 0.16 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1wa0 h LEU 324 Cb 0.53 -0.27 -0.23 0.00 0.09 0.00 0.00 40.66 40.79 1wa0 h LEU 324 CO 0.03 1.31 -0.05 -0.32 0.09 0.00 0.00 178.44 179.50 1wa0 s MET 325 N -4.07 0.66 -0.05 1.13 0.00 -1.06 -5.14 119.30 110.77 1wa0 s MET 325 Ca -0.11 0.90 -0.03 0.00 0.00 0.00 0.00 55.69 56.45 1wa0 s MET 325 Cb 0.09 0.25 0.03 0.00 0.00 0.00 0.00 34.83 35.20 1wa0 s MET 325 CO 0.88 -0.11 0.13 0.21 0.00 0.00 0.00 175.02 176.13 1wa0 s LYS 326 N 0.72 0.10 -0.55 4.11 2.20 -1.25 -4.13 119.74 120.93 1wa0 s LYS 326 Ca -0.03 0.28 -0.28 0.00 -0.36 0.00 0.00 55.97 55.57 1wa0 s LYS 326 Cb -0.05 -0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1wa0 s LYS 326 CO -0.05 -0.11 1.42 -1.14 -0.36 0.00 0.00 175.35 175.12 1wa0 s GLN 327 N 0.72 3.30 -0.00 4.03 0.74 -1.26 -4.86 119.66 122.33 1wa0 s GLN 327 Ca -0.05 0.48 -0.21 0.00 0.05 0.00 0.00 55.36 55.63 1wa0 s GLN 327 Cb -0.07 -4.12 -0.22 0.00 1.10 0.00 0.00 33.01 29.69 1wa0 s GLN 327 CO -0.03 -1.94 1.12 0.82 -0.55 0.00 0.00 175.29 174.71 1wa0 h ILE 328 N 6.39 1.44 -3.25 -2.34 1.08 -2.02 -3.43 117.51 115.38 1wa0 h ILE 328 Ca -0.27 -1.95 -0.45 0.00 -0.39 0.00 0.00 64.86 61.80 1wa0 h ILE 328 Cb 1.09 2.53 -0.39 0.00 -3.07 0.00 0.00 36.82 36.99 1wa0 h ILE 328 CO 1.17 0.56 -0.77 -0.54 -0.69 0.00 0.00 178.15 177.89 1wa0 s LYS 329 N -3.33 0.60 0.83 2.37 1.02 -1.26 -5.15 119.74 114.82 1wa0 s LYS 329 Ca -0.14 -0.00 -0.10 0.00 0.02 0.00 0.00 55.97 55.75 1wa0 s LYS 329 Cb 0.03 -1.23 0.10 0.00 -0.52 0.00 0.00 37.83 36.21 1wa0 s LYS 329 CO 0.80 -0.38 1.12 0.00 -0.92 0.00 0.00 175.35 175.96 1wa0 s ALA 330 N 1.96 1.91 0.05 5.17 0.00 -1.26 -4.90 121.76 124.69 1wa0 s ALA 330 Ca 0.04 0.42 -0.36 0.00 0.00 0.00 0.00 51.96 52.05 1wa0 s ALA 330 Cb -0.13 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 1wa0 s ALA 330 CO -0.06 -2.21 1.48 -2.30 0.00 0.00 0.00 175.76 172.67 1wa0 n PRO 331 N -3.83 1.46 -3.53 0.00 -0.02 -1.26 -4.95 135.00 122.87 1wa0 n PRO 331 Ca 0.10 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1wa0 n PRO 331 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1wa0 n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa0 s ALA 332 N 1.16 -1.37 0.42 3.55 0.00 -1.26 -5.14 121.76 119.12 1wa0 s ALA 332 Ca 0.85 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 1wa0 s ALA 332 Cb -0.88 0.85 -0.10 0.00 0.00 0.00 0.00 23.12 22.98 1wa0 s ALA 332 CO 0.47 -0.77 1.01 -2.30 0.00 0.00 0.00 175.76 174.17 1wa0 n PRO 333 N -0.35 1.35 -2.10 0.00 -0.02 -1.26 -4.92 135.00 127.69 1wa0 n PRO 333 Ca -0.15 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 1wa0 n PRO 333 Cb 0.64 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1wa0 n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wa0 s ILE 334 N -1.28 2.69 0.51 4.25 1.01 -1.26 -5.00 121.20 122.12 1wa0 s ILE 334 Ca 0.63 0.68 -0.23 0.00 0.00 0.00 0.00 60.65 61.73 1wa0 s ILE 334 Cb -0.55 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1wa0 s ILE 334 CO 0.57 0.15 1.39 -2.84 0.00 0.00 0.00 174.94 174.20 1wa0 s PRO 335 N -1.89 3.37 0.00 2.79 0.02 -1.26 -5.34 135.00 132.68 1wa0 s PRO 335 Ca 0.51 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1wa0 s PRO 335 Cb -0.39 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1wa0 s PRO 335 CO 0.52 -1.03 0.10 2.89 -0.33 0.00 0.00 177.00 179.14