#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wi8 s GLU 18 N 0.00 2.03 -0.16 1.43 8.01 -0.98 -4.82 118.70 124.20 2wi8 s GLU 18 Ca 0.00 -1.90 -0.29 0.00 0.01 0.00 0.00 54.97 52.79 2wi8 s GLU 18 Cb 0.00 -1.82 -0.01 0.00 -4.31 0.00 0.00 34.13 27.99 2wi8 s GLU 18 CO 0.00 0.04 1.13 0.15 0.01 0.00 0.00 175.26 176.59 2wi8 s LYS 19 N -3.73 4.29 0.07 1.61 1.02 -1.26 -1.04 119.74 120.69 2wi8 s LYS 19 Ca 0.36 1.51 0.08 0.00 0.02 0.00 0.00 55.97 57.93 2wi8 s LYS 19 Cb 0.04 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2wi8 s LYS 19 CO 0.19 -0.58 -0.17 -1.59 -0.92 0.00 0.00 175.35 172.28 2wi8 s LYS 20 N 2.98 2.00 -0.02 1.68 0.00 0.61 -4.88 119.74 122.10 2wi8 s LYS 20 Ca 0.50 -1.04 -0.28 0.00 0.00 0.00 0.00 55.97 55.15 2wi8 s LYS 20 Cb -0.19 -2.19 -0.03 0.00 0.00 0.00 0.00 37.83 35.42 2wi8 s LYS 20 CO 0.13 0.52 0.87 0.15 0.00 0.00 0.00 175.35 177.02 2wi8 s LYS 21 N -1.74 4.52 -0.13 1.78 -0.14 -1.26 -1.23 119.74 121.53 2wi8 s LYS 21 Ca 0.16 1.22 0.03 0.00 -1.36 0.00 0.00 55.97 56.02 2wi8 s LYS 21 Cb -0.11 -3.45 0.01 0.00 -1.68 0.00 0.00 37.83 32.60 2wi8 s LYS 21 CO 0.08 0.00 -0.22 0.42 -0.76 0.00 0.00 175.35 174.87 2wi8 s ILE 22 N 0.89 2.03 -0.24 2.17 -1.09 0.10 -4.98 121.20 120.09 2wi8 s ILE 22 Ca 0.46 -0.98 -0.10 0.00 -2.23 0.00 0.00 60.65 57.80 2wi8 s ILE 22 Cb -0.20 -1.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.84 2wi8 s ILE 22 CO 0.24 0.55 0.16 -1.61 -1.23 0.00 0.00 174.94 173.05 2wi8 s GLU 23 N 0.69 4.08 -0.10 2.79 0.41 -1.26 -0.87 118.70 124.44 2wi8 s GLU 23 Ca -0.10 -0.26 -0.03 0.00 -0.41 0.00 0.00 54.97 54.16 2wi8 s GLU 23 Cb -0.16 -3.53 0.05 0.00 -1.78 0.00 0.00 34.13 28.71 2wi8 s GLU 23 CO 0.01 0.08 0.10 -0.47 -0.49 0.00 0.00 175.26 174.50 2wi8 s TYR 24 N 0.99 0.01 -1.38 1.61 5.04 0.24 -4.87 117.35 118.99 2wi8 s TYR 24 Ca 0.08 0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.89 2wi8 s TYR 24 Cb -0.13 -0.48 -0.00 0.00 0.35 0.00 0.00 41.96 41.70 2wi8 s TYR 24 CO 0.04 -0.32 0.48 1.28 -1.34 0.00 0.00 175.55 175.69 2wi8 n LEU 25 N 5.30 -2.44 -1.45 6.97 4.77 -1.26 -1.73 117.00 127.16 2wi8 n LEU 25 Ca -0.05 -0.97 -0.16 0.00 -0.03 0.00 0.00 56.01 54.81 2wi8 n LEU 25 Cb 0.50 -2.33 -0.05 0.00 -2.33 0.00 0.00 43.42 39.21 2wi8 n LEU 25 CO 0.07 0.43 -0.17 0.47 -1.33 0.00 0.00 177.39 176.85 2wi8 n ASP 26 N -3.00 -4.93 -4.22 -1.43 8.00 -1.26 -5.00 116.55 104.71 2wi8 n ASP 26 Ca -0.31 0.27 -0.25 0.00 0.71 0.00 0.00 54.79 55.21 2wi8 n ASP 26 Cb 0.68 -3.93 -0.14 0.00 -0.02 0.00 0.00 41.12 37.71 2wi8 n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wi8 s LYS 27 N -3.85 1.36 -0.14 -1.24 1.02 -0.71 -5.14 119.74 111.05 2wi8 s LYS 27 Ca 0.00 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 55.00 2wi8 s LYS 27 Cb 0.00 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 2wi8 s LYS 27 CO 0.00 0.37 0.27 0.99 -0.92 0.00 0.00 175.35 176.06 2wi8 s THR 28 N -0.73 5.31 0.14 2.17 2.01 -1.26 -0.60 115.64 122.68 2wi8 s THR 28 Ca 0.07 0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.62 2wi8 s THR 28 Cb -0.08 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2wi8 s THR 28 CO 0.01 0.45 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.97 2wi8 s TYR 29 N 0.07 1.30 -0.13 4.92 2.02 -0.05 -4.98 117.35 120.50 2wi8 s TYR 29 Ca 0.16 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2wi8 s TYR 29 Cb -0.13 -0.67 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 2wi8 s TYR 29 CO 0.04 0.11 -0.13 -2.00 -1.57 0.00 0.00 175.55 172.01 2wi8 s GLU 30 N -3.34 2.07 0.00 -0.62 2.12 -1.26 -0.72 118.70 116.96 2wi8 s GLU 30 Ca 0.14 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.99 2wi8 s GLU 30 Cb -0.00 -1.92 -0.01 0.00 0.26 0.00 0.00 34.13 32.46 2wi8 s GLU 30 CO 0.02 -0.21 -0.01 0.08 -0.54 0.00 0.00 175.26 174.59 2wi8 s VAL 31 N 1.45 0.08 -0.07 3.70 1.01 -0.37 -4.92 120.40 121.28 2wi8 s VAL 31 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2wi8 s VAL 31 Cb -0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 2wi8 s VAL 31 CO -0.08 -0.10 1.78 -0.89 0.00 0.00 0.00 175.10 175.81 2wi8 s THR 32 N -0.34 3.40 -0.00 3.92 2.01 -1.26 -0.29 115.64 123.08 2wi8 s THR 32 Ca -0.03 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 2wi8 s THR 32 Cb -0.02 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.14 2wi8 s THR 32 CO -0.00 -0.08 0.01 -0.69 -0.69 0.00 0.00 174.62 173.17 2wi8 s VAL 33 N 4.73 0.02 0.61 3.82 1.01 -0.21 -4.22 120.40 126.17 2wi8 s VAL 33 Ca 0.79 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 2wi8 s VAL 33 Cb -0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2wi8 s VAL 33 CO 0.33 -0.10 1.04 -2.84 0.00 0.00 0.00 175.10 173.54 2wi8 s PRO 34 N -0.28 3.36 0.03 2.72 0.02 -1.26 -2.32 135.00 137.26 2wi8 s PRO 34 Ca -0.03 1.02 -0.06 0.00 0.02 0.00 0.00 61.00 61.95 2wi8 s PRO 34 Cb -0.02 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 2wi8 s PRO 34 CO -0.00 -0.77 0.12 -0.08 -0.33 0.00 0.00 177.00 175.94 2wi8 s THR 35 N -2.77 0.12 -0.49 0.99 -1.32 0.02 -4.70 115.64 107.49 2wi8 s THR 35 Ca 0.60 -0.96 0.11 0.00 -1.21 0.00 0.00 61.69 60.22 2wi8 s THR 35 Cb -0.14 -0.76 -0.12 0.00 -1.51 0.00 0.00 72.50 69.98 2wi8 s THR 35 CO 0.44 -0.53 0.45 -0.90 -2.21 0.00 0.00 174.62 171.86 2wi8 n ASP 36 N 0.95 0.56 -3.43 8.08 5.75 -1.26 -4.55 116.55 122.65 2wi8 n ASP 36 Ca -0.20 -0.73 -0.40 0.00 -0.01 0.00 0.00 54.79 53.45 2wi8 n ASP 36 Cb 0.58 1.01 -0.02 0.00 -1.03 0.00 0.00 41.12 41.66 2wi8 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wi8 n LYS 37 N -1.27 3.64 -4.44 0.11 5.02 -1.26 -3.04 118.16 116.92 2wi8 n LYS 37 Ca 0.02 -2.48 -0.34 0.00 -2.02 0.00 0.00 58.31 53.50 2wi8 n LYS 37 Cb 0.17 -2.88 -0.13 0.00 -0.02 0.00 0.00 35.03 32.17 2wi8 n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wi8 s ILE 38 N 1.91 3.63 -0.20 -0.18 1.01 -1.26 0.06 121.20 126.17 2wi8 s ILE 38 Ca 0.63 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 2wi8 s ILE 38 Cb 0.17 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2wi8 s ILE 38 CO -0.07 0.49 -0.03 0.00 0.00 0.00 0.00 174.94 175.33 2wi8 s ALA 39 N 0.48 2.87 -0.22 9.38 0.00 -0.67 -1.03 121.76 132.58 2wi8 s ALA 39 Ca -0.05 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 2wi8 s ALA 39 Cb -0.15 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2wi8 s ALA 39 CO 0.03 -0.26 0.10 0.42 0.00 0.00 0.00 175.76 176.05 2wi8 s ILE 40 N 1.19 4.93 -0.01 0.00 1.01 0.57 -0.70 121.20 128.19 2wi8 s ILE 40 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2wi8 s ILE 40 Cb -0.14 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 2wi8 s ILE 40 CO -0.00 0.39 -0.07 0.28 0.00 0.00 0.00 174.94 175.54 2wi8 s THR 41 N 0.87 0.58 0.00 2.92 -1.32 0.10 -3.54 115.64 115.25 2wi8 s THR 41 Ca 0.05 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2wi8 s THR 41 Cb -0.13 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2wi8 s THR 41 CO 0.03 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2wi8 n GLY 42 N 3.10 0.66 3.50 6.08 0.00 -0.99 -3.42 105.19 114.12 2wi8 n GLY 42 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2wi8 n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wi8 s SER 43 N 0.00 6.66 0.46 1.61 0.15 -1.26 -4.75 113.70 116.57 2wi8 s SER 43 Ca 0.00 -2.00 0.20 0.00 0.70 0.00 0.00 55.95 54.85 2wi8 s SER 43 Cb 0.00 -2.47 1.11 0.00 -1.71 0.00 0.00 66.02 62.95 2wi8 s SER 43 CO 0.00 -1.17 1.96 0.58 1.20 0.00 0.00 173.24 175.81 2wi8 h VAL 44 N 5.98 0.88 -0.51 4.45 2.07 -1.96 -2.30 116.25 124.85 2wi8 h VAL 44 Ca 0.21 -0.82 0.10 0.00 0.82 0.00 0.00 66.70 67.01 2wi8 h VAL 44 Cb 0.99 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 2wi8 h VAL 44 CO 1.25 0.21 0.02 -0.33 0.02 0.00 0.00 177.57 178.74 2wi8 h GLU 45 N 0.00 0.13 -0.02 1.57 3.07 -1.94 -1.53 114.58 115.87 2wi8 h GLU 45 Ca -0.00 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2wi8 h GLU 45 Cb 0.46 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2wi8 h GLU 45 CO 0.03 0.09 -0.33 0.77 -1.40 0.00 0.00 179.01 178.17 2wi8 h SER 46 N 0.14 0.04 -0.61 1.42 0.02 -1.81 0.38 113.55 113.12 2wi8 h SER 46 Ca 0.26 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2wi8 h SER 46 Cb 0.39 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 2wi8 h SER 46 CO -0.41 0.37 0.40 0.24 -1.14 0.00 0.00 176.83 176.29 2wi8 h MET 47 N 0.03 0.80 -0.00 3.45 2.86 -1.13 0.60 114.93 121.54 2wi8 h MET 47 Ca 0.00 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.42 2wi8 h MET 47 Cb 0.60 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2wi8 h MET 47 CO 0.04 0.53 -0.81 0.93 1.06 0.00 0.00 176.91 178.66 2wi8 h GLU 48 N 0.82 0.10 -0.58 1.72 5.08 -0.71 -1.69 114.58 119.32 2wi8 h GLU 48 Ca 0.23 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2wi8 h GLU 48 Cb -0.08 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2wi8 h GLU 48 CO -0.05 0.85 0.17 -0.44 -1.00 0.00 0.00 179.01 178.54 2wi8 h ASP 49 N 0.06 0.82 -0.42 1.42 3.32 -0.71 -1.96 116.42 118.95 2wi8 h ASP 49 Ca -0.02 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 2wi8 h ASP 49 Cb 1.41 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2wi8 h ASP 49 CO 0.11 0.78 -0.05 0.00 -1.72 0.00 0.00 179.24 178.37 2wi8 h ALA 50 N 1.33 1.00 -0.39 3.45 0.00 -0.60 -0.80 119.26 123.25 2wi8 h ALA 50 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wi8 h ALA 50 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2wi8 h ALA 50 CO -0.01 0.61 0.18 -0.22 0.00 0.00 0.00 179.25 179.81 2wi8 h LYS 51 N 0.78 0.57 -0.14 0.00 3.64 -0.92 0.16 116.57 120.65 2wi8 h LYS 51 Ca 0.14 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2wi8 h LYS 51 Cb 0.54 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2wi8 h LYS 51 CO 0.03 0.51 -0.55 1.25 -2.27 0.00 0.00 179.45 178.43 2wi8 h LEU 52 N 0.49 0.46 -1.26 5.20 5.85 -1.05 -3.12 115.31 121.88 2wi8 h LEU 52 Ca 0.13 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2wi8 h LEU 52 Cb 0.14 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2wi8 h LEU 52 CO -0.01 0.92 0.00 0.18 -0.34 0.00 0.00 178.44 179.18 2wi8 n LEU 53 N -3.94 1.95 -3.61 2.25 4.77 -0.33 -4.95 117.00 113.14 2wi8 n LEU 53 Ca -0.03 -0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 55.08 2wi8 n LEU 53 Cb 0.59 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.73 2wi8 n LEU 53 CO 0.45 0.33 0.03 -0.67 -1.33 0.00 0.00 177.39 176.21 2wi8 n ASP 54 N 0.53 -2.03 -4.75 -1.43 2.03 -0.09 -5.00 116.55 105.81 2wi8 n ASP 54 Ca 0.18 -0.72 -0.36 0.00 0.52 0.00 0.00 54.79 54.40 2wi8 n ASP 54 Cb 0.42 -4.51 -0.08 0.00 -0.72 0.00 0.00 41.12 36.23 2wi8 n ASP 54 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wi8 s VAL 55 N -3.51 5.07 -0.57 5.18 1.01 -0.44 -5.05 120.40 122.09 2wi8 s VAL 55 Ca 0.08 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2wi8 s VAL 55 Cb -0.04 -3.24 0.15 0.00 0.00 0.00 0.00 36.38 33.25 2wi8 s VAL 55 CO 0.78 0.54 0.35 -1.00 0.00 0.00 0.00 175.10 175.76 2wi8 s HIS 56 N -0.34 3.30 0.82 5.22 3.76 -1.26 -4.62 115.29 122.16 2wi8 s HIS 56 Ca 0.10 -2.96 -0.11 0.00 -0.15 0.00 0.00 55.06 51.95 2wi8 s HIS 56 Cb -0.12 -3.00 0.08 0.00 1.11 0.00 0.00 32.58 30.65 2wi8 s HIS 56 CO 0.01 -0.79 1.10 -1.25 -0.85 0.00 0.00 174.74 172.96 2wi8 s PRO 57 N -0.18 1.88 0.17 8.40 0.04 -1.24 -4.86 135.00 139.21 2wi8 s PRO 57 Ca 0.17 1.15 0.09 0.00 0.04 0.00 0.00 61.00 62.45 2wi8 s PRO 57 Cb -0.23 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 2wi8 s PRO 57 CO -0.02 -1.90 1.36 0.37 0.04 0.00 0.00 177.00 176.84 2wi8 h GLN 58 N -1.32 0.00 -4.67 4.56 4.15 -1.00 -3.25 115.11 113.59 2wi8 h GLN 58 Ca -0.45 0.00 -0.43 0.00 0.77 0.00 0.00 58.65 58.55 2wi8 h GLN 58 Cb 1.25 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.63 2wi8 h GLN 58 CO 0.51 0.86 -0.79 0.20 -1.93 0.00 0.00 178.83 177.68 2wi8 s GLY 59 N -4.63 0.53 0.16 2.39 0.00 -0.65 -1.22 107.32 103.90 2wi8 s GLY 59 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.34 2wi8 s GLY 59 CO 0.80 -0.16 0.13 0.00 0.00 0.00 0.00 173.10 173.87 2wi8 s ALA 60 N 0.09 0.81 0.09 3.20 0.00 -0.58 -0.32 121.76 125.05 2wi8 s ALA 60 Ca -0.01 -1.45 -0.30 0.00 0.00 0.00 0.00 51.96 50.19 2wi8 s ALA 60 Cb -0.07 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 24.05 2wi8 s ALA 60 CO 0.00 -0.56 1.00 0.42 0.00 0.00 0.00 175.76 176.62 2wi8 s ILE 61 N -4.08 4.48 0.23 0.00 1.01 -1.23 -0.62 121.20 120.99 2wi8 s ILE 61 Ca 0.28 1.98 -0.12 0.00 0.00 0.00 0.00 60.65 62.79 2wi8 s ILE 61 Cb 0.06 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 2wi8 s ILE 61 CO 0.05 0.26 0.60 -0.94 0.00 0.00 0.00 174.94 174.91 2wi8 s SER 62 N 0.28 6.71 -0.29 3.58 1.04 -0.54 -4.80 113.70 119.69 2wi8 s SER 62 Ca 0.49 1.05 0.03 0.00 0.48 0.00 0.00 55.95 58.00 2wi8 s SER 62 Cb -0.24 -2.28 0.07 0.00 0.10 0.00 0.00 66.02 63.68 2wi8 s SER 62 CO 0.30 -0.06 -0.05 -0.36 0.98 0.00 0.00 173.24 174.05 2wi8 s PHE 63 N -1.77 3.44 -1.58 5.02 0.40 0.24 -3.88 117.98 119.85 2wi8 s PHE 63 Ca 0.47 -2.57 -0.14 0.00 -0.60 0.00 0.00 56.93 54.09 2wi8 s PHE 63 Cb -0.12 -2.29 0.10 0.00 0.51 0.00 0.00 43.02 41.23 2wi8 s PHE 63 CO 0.20 -0.90 0.90 0.43 0.70 0.00 0.00 175.22 176.54 2wi8 n SER 64 N 4.37 -4.06 0.00 1.36 7.64 -1.26 -1.43 113.62 120.24 2wi8 n SER 64 Ca -0.07 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2wi8 n SER 64 Cb 0.42 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 2wi8 n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wi8 n GLY 65 N -1.61 1.64 3.58 0.23 0.00 -1.26 -5.02 105.19 102.75 2wi8 n GLY 65 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2wi8 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wi8 s LYS 66 N -0.35 1.96 -0.30 1.61 1.02 -0.51 -5.01 119.74 118.17 2wi8 s LYS 66 Ca 0.00 -1.75 -0.16 0.00 0.02 0.00 0.00 55.97 54.08 2wi8 s LYS 66 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 2wi8 s LYS 66 CO 0.00 0.21 0.43 -0.06 -0.92 0.00 0.00 175.35 175.01 2wi8 s PHE 67 N -2.51 3.23 0.66 3.18 0.08 -1.26 0.83 117.98 122.18 2wi8 s PHE 67 Ca 0.33 0.33 -0.17 0.00 0.12 0.00 0.00 56.93 57.54 2wi8 s PHE 67 Cb -0.02 -2.69 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 2wi8 s PHE 67 CO 0.18 -0.34 0.85 -2.30 -0.10 0.00 0.00 175.22 173.51 2wi8 n PRO 68 N 5.47 0.63 -0.08 0.24 -0.02 -1.26 -4.74 135.00 135.23 2wi8 n PRO 68 Ca -0.07 0.26 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 2wi8 n PRO 68 Cb 0.50 -2.09 0.47 0.00 -0.02 0.00 0.00 33.50 32.36 2wi8 n PRO 68 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wi8 h ASP 69 N 0.07 0.43 0.43 2.55 3.32 -2.01 0.29 116.42 121.51 2wi8 h ASP 69 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2wi8 h ASP 69 Cb 1.36 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2wi8 h ASP 69 CO 0.48 0.27 0.00 1.15 -1.72 0.00 0.00 179.24 179.42 2wi8 n MET 70 N -4.47 0.05 -0.01 3.56 0.00 -1.26 -2.45 117.12 112.54 2wi8 n MET 70 Ca 0.09 0.36 0.03 0.00 0.00 0.00 0.00 57.70 58.18 2wi8 n MET 70 Cb 0.30 -1.61 0.03 0.00 0.00 0.00 0.00 33.22 31.94 2wi8 n MET 70 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2wi8 n PHE 71 N -1.71 0.01 0.30 3.17 3.72 0.05 -4.61 117.46 118.40 2wi8 n PHE 71 Ca 0.02 -0.03 0.19 0.00 -0.05 0.00 0.00 57.45 57.58 2wi8 n PHE 71 Cb 0.15 -0.00 0.87 0.00 -0.94 0.00 0.00 39.48 39.56 2wi8 n PHE 71 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2wi8 h LYS 72 N 1.23 0.00 -0.50 -1.08 1.57 -1.12 -2.11 116.57 114.56 2wi8 h LYS 72 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2wi8 h LYS 72 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2wi8 h LYS 72 CO 0.00 0.00 -0.01 0.38 -0.57 0.00 0.00 179.45 179.25 2wi8 h ASP 73 N 0.00 0.82 -0.10 0.86 2.03 -1.82 -3.24 116.42 114.98 2wi8 h ASP 73 Ca 0.00 -0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 2wi8 h ASP 73 Cb 0.29 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 2wi8 h ASP 73 CO 0.00 0.89 0.00 2.30 -1.03 0.00 0.00 179.24 181.40 2wi8 n ILE 74 N -4.20 0.19 -0.50 4.15 -6.64 -0.93 -4.31 119.36 107.12 2wi8 n ILE 74 Ca 0.03 -0.60 0.11 0.00 -1.77 0.00 0.00 62.75 60.52 2wi8 n ILE 74 Cb 0.31 1.14 0.35 0.00 -1.44 0.00 0.00 39.64 40.00 2wi8 n ILE 74 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 2wi8 n THR 75 N 0.79 1.44 0.31 7.28 -2.24 -0.84 -3.66 114.28 117.36 2wi8 n THR 75 Ca 0.09 -1.10 0.20 0.00 -2.27 0.00 0.00 64.05 60.98 2wi8 n THR 75 Cb 0.37 0.30 0.99 0.00 -2.10 0.00 0.00 70.33 69.89 2wi8 n THR 75 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2wi8 h ASP 76 N 4.26 0.00 -0.02 3.42 2.03 -1.74 -1.67 116.42 122.69 2wi8 h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wi8 h ASP 76 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2wi8 h ASP 76 CO 0.13 0.01 0.00 0.29 -1.03 0.00 0.00 179.24 178.63 2wi8 n LYS 77 N -3.11 2.06 -4.01 4.15 5.02 -1.26 -5.06 118.16 115.95 2wi8 n LYS 77 Ca -0.01 -2.16 -0.31 0.00 -2.02 0.00 0.00 58.31 53.81 2wi8 n LYS 77 Cb 0.17 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 2wi8 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wi8 s ALA 78 N -2.09 3.70 0.18 7.82 0.00 -0.63 -4.49 121.76 126.24 2wi8 s ALA 78 Ca 0.20 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.29 2wi8 s ALA 78 Cb 0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 2wi8 s ALA 78 CO 0.02 0.77 -0.05 -1.21 0.00 0.00 0.00 175.76 175.30 2wi8 s GLU 79 N -2.39 2.23 0.46 0.00 0.41 -0.35 -4.93 118.70 114.14 2wi8 s GLU 79 Ca 0.31 -1.21 -0.23 0.00 -0.41 0.00 0.00 54.97 53.43 2wi8 s GLU 79 Cb -0.12 -2.25 -0.07 0.00 -1.78 0.00 0.00 34.13 29.91 2wi8 s GLU 79 CO 0.23 0.44 1.21 -1.25 -0.49 0.00 0.00 175.26 175.40 2wi8 s PRO 80 N -2.94 3.70 0.00 0.39 0.04 -1.26 -1.53 135.00 133.40 2wi8 s PRO 80 Ca 0.26 1.88 0.18 0.00 0.04 0.00 0.00 61.00 63.37 2wi8 s PRO 80 Cb -0.09 -2.43 0.37 0.00 0.04 0.00 0.00 34.50 32.39 2wi8 s PRO 80 CO 0.17 -0.63 1.30 0.25 0.04 0.00 0.00 177.00 178.13 2wi8 n THR 81 N -0.48 0.61 0.00 1.26 -2.24 0.21 -4.76 114.28 108.88 2wi8 n THR 81 Ca 0.07 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2wi8 n THR 81 Cb 0.47 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2wi8 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wi8 n GLY 82 N 1.15 1.34 3.67 3.38 0.00 -1.26 0.10 105.19 113.56 2wi8 n GLY 82 Ca 0.16 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 2wi8 n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wi8 s GLU 83 N -1.51 0.43 0.13 1.61 0.41 -1.22 -1.47 118.70 117.07 2wi8 s GLU 83 Ca 0.00 0.59 -0.24 0.00 -0.41 0.00 0.00 54.97 54.92 2wi8 s GLU 83 Cb 0.00 -1.73 -0.03 0.00 -1.78 0.00 0.00 34.13 30.59 2wi8 s GLU 83 CO 0.00 -2.75 1.65 -0.22 -0.49 0.00 0.00 175.26 173.45 2wi8 h LYS 84 N -1.91 -0.27 -0.72 1.61 3.64 -1.94 -1.83 116.57 115.14 2wi8 h LYS 84 Ca -0.54 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2wi8 h LYS 84 Cb 1.32 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2wi8 h LYS 84 CO 0.56 -0.18 0.00 -1.33 -2.27 0.00 0.00 179.45 176.23 2wi8 n MET 85 N -5.33 2.88 -3.38 1.90 2.81 -1.26 -2.34 117.12 112.41 2wi8 n MET 85 Ca -0.04 -2.68 -0.26 0.00 -1.81 0.00 0.00 57.70 52.92 2wi8 n MET 85 Cb 0.25 -1.63 -0.08 0.00 -0.71 0.00 0.00 33.22 31.05 2wi8 n MET 85 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2wi8 n GLU 86 N 1.55 1.75 -1.62 0.03 1.02 -0.69 -5.08 120.64 117.60 2wi8 n GLU 86 Ca 0.25 -4.09 -0.49 0.00 -0.02 0.00 0.00 57.16 52.80 2wi8 n GLU 86 Cb 0.67 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 2wi8 n GLU 86 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2wi8 n PRO 87 N 1.21 1.56 -3.05 3.49 -0.04 -1.25 -3.46 135.00 133.46 2wi8 n PRO 87 Ca 0.26 0.56 -0.45 0.00 -0.04 0.00 0.00 63.50 63.84 2wi8 n PRO 87 Cb 0.45 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2wi8 n PRO 87 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wi8 s ASN 88 N 0.63 6.42 0.34 3.54 3.84 0.12 -4.92 114.94 124.91 2wi8 s ASN 88 Ca 0.82 -1.79 0.02 0.00 0.21 0.00 0.00 52.86 52.12 2wi8 s ASN 88 Cb -0.84 -2.33 0.60 0.00 -0.55 0.00 0.00 41.25 38.13 2wi8 s ASN 88 CO 0.43 -1.05 1.97 0.40 -2.79 0.00 0.00 177.10 176.06 2wi8 h ILE 89 N 5.71 1.18 -0.23 -5.21 1.08 -1.91 -0.58 117.51 117.56 2wi8 h ILE 89 Ca -0.08 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2wi8 h ILE 89 Cb 1.06 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2wi8 h ILE 89 CO 1.06 0.19 0.15 -0.08 -0.69 0.00 0.00 178.15 178.78 2wi8 h GLU 90 N 0.82 0.30 -0.71 2.37 4.81 -1.96 0.14 114.58 120.34 2wi8 h GLU 90 Ca 0.21 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2wi8 h GLU 90 Cb 0.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2wi8 h GLU 90 CO -0.04 0.20 0.44 0.87 -0.73 0.00 0.00 179.01 179.75 2wi8 h LYS 91 N 0.31 0.95 -0.22 1.92 1.57 -1.72 -1.39 116.57 118.00 2wi8 h LYS 91 Ca 0.08 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2wi8 h LYS 91 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2wi8 h LYS 91 CO -0.02 0.66 -0.01 0.82 -0.57 0.00 0.00 179.45 180.34 2wi8 h ILE 92 N 0.96 1.26 -0.92 1.86 2.04 -0.85 -2.90 117.51 118.96 2wi8 h ILE 92 Ca 0.26 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 65.30 2wi8 h ILE 92 Cb -0.06 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2wi8 h ILE 92 CO -0.05 0.28 0.57 0.25 0.00 0.00 0.00 178.15 179.20 2wi8 h LEU 93 N 0.15 0.88 -1.86 1.44 7.12 -0.54 -1.93 115.31 120.55 2wi8 h LEU 93 Ca 0.06 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 2wi8 h LEU 93 Cb 0.41 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2wi8 h LEU 93 CO 0.01 0.53 -0.12 -0.33 -0.13 0.00 0.00 178.44 178.41 2wi8 h GLU 94 N 1.00 0.00 0.00 1.25 4.39 -1.06 -2.42 114.58 117.74 2wi8 h GLU 94 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2wi8 h GLU 94 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2wi8 h GLU 94 CO -0.20 0.12 0.00 0.52 -1.16 0.00 0.00 179.01 178.28 2wi8 h MET 95 N 0.00 0.00 -6.62 2.33 2.86 -1.20 -3.48 114.93 108.83 2wi8 h MET 95 Ca -0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 2wi8 h MET 95 Cb 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wi8 h MET 95 CO 0.02 0.00 -0.96 1.63 1.06 0.00 0.00 176.91 178.65 2wi8 n LYS 96 N -3.08 -1.21 -2.11 1.72 5.02 -0.91 -4.89 118.16 112.70 2wi8 n LYS 96 Ca 0.03 0.27 -0.35 0.00 -2.02 0.00 0.00 58.31 56.24 2wi8 n LYS 96 Cb 0.43 -3.57 0.02 0.00 -0.02 0.00 0.00 35.03 31.89 2wi8 n LYS 96 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wi8 s PRO 97 N -6.75 3.17 0.24 1.97 0.04 -1.26 -4.94 135.00 127.47 2wi8 s PRO 97 Ca 0.35 1.59 0.08 0.00 0.04 0.00 0.00 61.00 63.06 2wi8 s PRO 97 Cb -0.16 -1.98 0.25 0.00 0.04 0.00 0.00 34.50 32.65 2wi8 s PRO 97 CO 0.92 -0.99 1.55 -0.44 0.04 0.00 0.00 177.00 178.08 2wi8 h ASP 98 N 0.88 0.07 -4.13 6.66 3.32 -0.72 -3.44 116.42 119.07 2wi8 h ASP 98 Ca -0.49 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.40 2wi8 h ASP 98 Cb 1.26 -0.02 -0.23 0.00 0.22 0.00 0.00 39.33 40.56 2wi8 h ASP 98 CO 0.56 0.73 -0.18 0.54 -1.72 0.00 0.00 179.24 179.17 2wi8 s VAL 99 N -3.51 0.01 -0.22 -1.35 0.11 -1.08 -4.41 120.40 109.94 2wi8 s VAL 99 Ca -0.02 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2wi8 s VAL 99 Cb 0.12 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2wi8 s VAL 99 CO 0.78 -0.04 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.86 2wi8 s ILE 100 N -0.08 3.55 -0.56 7.04 1.01 0.95 -1.67 121.20 131.44 2wi8 s ILE 100 Ca -0.03 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 2wi8 s ILE 100 Cb -0.03 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 39.87 2wi8 s ILE 100 CO 0.02 0.41 0.82 -0.76 0.00 0.00 0.00 174.94 175.43 2wi8 s LEU 101 N 1.45 4.53 0.00 2.97 1.43 0.12 -0.45 118.68 128.73 2wi8 s LEU 101 Ca 0.05 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2wi8 s LEU 101 Cb -0.14 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2wi8 s LEU 101 CO -0.02 -1.14 0.00 0.00 0.23 0.00 0.00 176.35 175.42 2wi8 n ALA 102 N 6.99 0.00 -2.50 4.21 0.00 -0.19 -0.72 120.51 128.30 2wi8 n ALA 102 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 2wi8 n ALA 102 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 2wi8 n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wi8 s SER 103 N -0.89 2.42 0.00 0.00 0.15 -1.22 -0.30 113.70 113.85 2wi8 s SER 103 Ca 0.00 -0.79 0.12 0.00 0.70 0.00 0.00 55.95 55.98 2wi8 s SER 103 Cb 0.00 -0.12 0.52 0.00 -1.71 0.00 0.00 66.02 64.71 2wi8 s SER 103 CO 0.00 -0.04 1.35 0.35 1.20 0.00 0.00 173.24 176.10 2wi8 n THR 104 N 0.61 1.07 0.31 6.45 -2.24 -0.41 -1.80 114.28 118.28 2wi8 n THR 104 Ca -0.16 0.27 0.15 0.00 -2.27 0.00 0.00 64.05 62.04 2wi8 n THR 104 Cb 0.56 -1.07 0.49 0.00 -2.10 0.00 0.00 70.33 68.21 2wi8 n THR 104 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wi8 h LYS 105 N 0.00 0.00 -6.65 -0.78 1.57 -1.95 -3.44 116.57 105.32 2wi8 h LYS 105 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2wi8 h LYS 105 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2wi8 h LYS 105 CO 0.00 0.00 0.36 -0.06 -0.57 0.00 0.00 179.45 179.18 2wi8 s PHE 106 N -3.44 3.88 0.85 -1.35 0.08 -0.74 -5.04 117.98 112.21 2wi8 s PHE 106 Ca 0.04 1.85 -0.11 0.00 0.12 0.00 0.00 56.93 58.83 2wi8 s PHE 106 Cb 0.08 -3.03 0.10 0.00 -0.57 0.00 0.00 43.02 39.61 2wi8 s PHE 106 CO 0.56 0.29 1.15 -2.14 -0.10 0.00 0.00 175.22 174.99 2wi8 s PRO 107 N -0.52 1.50 0.25 0.24 0.02 -1.26 -4.74 135.00 130.49 2wi8 s PRO 107 Ca 0.44 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.96 2wi8 s PRO 107 Cb -0.25 -1.78 0.41 0.00 0.02 0.00 0.00 34.50 32.90 2wi8 s PRO 107 CO 0.31 -2.27 1.82 1.49 -0.33 0.00 0.00 177.00 178.02 2wi8 h GLU 108 N -1.37 0.83 -0.73 5.54 4.57 -1.96 -0.78 114.58 120.67 2wi8 h GLU 108 Ca -0.44 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 57.78 2wi8 h GLU 108 Cb 1.27 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.60 2wi8 h GLU 108 CO 0.45 0.55 0.38 0.87 -1.18 0.00 0.00 179.01 180.08 2wi8 h LYS 109 N 0.85 0.63 -0.36 1.92 6.56 -2.00 -0.14 116.57 124.04 2wi8 h LYS 109 Ca 0.41 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.85 2wi8 h LYS 109 Cb 0.34 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2wi8 h LYS 109 CO -0.24 0.42 -0.19 1.15 -2.06 0.00 0.00 179.45 178.54 2wi8 h THR 110 N 0.65 1.29 -0.83 -0.16 2.02 -1.63 -1.84 112.91 112.41 2wi8 h THR 110 Ca 0.36 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 2wi8 h THR 110 Cb 0.35 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 2wi8 h THR 110 CO -0.26 0.43 0.41 -0.07 0.37 0.00 0.00 175.52 176.40 2wi8 h LEU 111 N 0.55 1.07 -0.60 2.58 3.38 -0.67 0.11 115.31 121.72 2wi8 h LEU 111 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2wi8 h LEU 111 Cb 0.73 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2wi8 h LEU 111 CO 0.05 0.89 0.36 1.56 0.09 0.00 0.00 178.44 181.39 2wi8 h GLN 112 N 1.17 0.81 -0.05 1.13 4.20 -0.95 -1.71 115.11 119.72 2wi8 h GLN 112 Ca 0.29 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.93 2wi8 h GLN 112 Cb 0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2wi8 h GLN 112 CO -0.04 0.59 0.00 -0.22 -0.67 0.00 0.00 178.83 178.49 2wi8 h LYS 113 N 0.81 0.02 -0.73 1.46 1.63 -0.54 -2.42 116.57 116.80 2wi8 h LYS 113 Ca 0.21 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 2wi8 h LYS 113 Cb -0.01 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 2wi8 h LYS 113 CO -0.04 0.01 0.48 0.82 -3.45 0.00 0.00 179.45 177.28 2wi8 h ILE 114 N 0.02 1.02 0.00 2.00 2.04 -0.82 -2.15 117.51 119.62 2wi8 h ILE 114 Ca 0.02 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2wi8 h ILE 114 Cb 0.02 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2wi8 h ILE 114 CO -0.03 0.14 0.00 0.77 0.00 0.00 0.00 178.15 179.03 2wi8 h SER 115 N 0.77 0.00 0.81 1.72 4.64 -0.79 0.07 113.55 120.76 2wi8 h SER 115 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2wi8 h SER 115 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2wi8 h SER 115 CO -0.11 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.20 2wi8 n THR 116 N -2.39 0.80 0.68 2.95 -2.24 -0.81 -2.68 114.28 110.59 2wi8 n THR 116 Ca 0.01 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 2wi8 n THR 116 Cb 0.19 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 67.31 2wi8 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wi8 n ALA 117 N -1.74 3.88 0.00 6.98 0.00 0.01 -5.06 120.51 124.58 2wi8 n ALA 117 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2wi8 n ALA 117 Cb 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2wi8 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wi8 n GLY 118 N 1.41 2.12 3.68 0.00 0.00 -1.09 -4.56 105.19 106.75 2wi8 n GLY 118 Ca 0.02 -1.13 -0.47 0.00 0.00 0.00 0.00 46.02 44.44 2wi8 n GLY 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wi8 n THR 119 N -1.04 0.53 -4.67 2.61 -1.04 -1.26 -4.30 114.28 105.10 2wi8 n THR 119 Ca 0.00 -0.09 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 2wi8 n THR 119 Cb 0.00 -1.89 -0.16 0.00 -1.82 0.00 0.00 70.33 66.46 2wi8 n THR 119 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wi8 s THR 120 N 3.70 2.55 -0.23 12.58 2.01 -1.26 -0.03 115.64 134.95 2wi8 s THR 120 Ca 0.90 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 2wi8 s THR 120 Cb -0.65 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 69.81 2wi8 s THR 120 CO 0.48 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.23 2wi8 s ILE 121 N 0.70 2.93 -0.47 1.82 1.01 0.41 -4.97 121.20 122.63 2wi8 s ILE 121 Ca -0.08 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2wi8 s ILE 121 Cb -0.16 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.94 2wi8 s ILE 121 CO 0.02 0.34 1.33 -2.84 0.00 0.00 0.00 174.94 173.78 2wi8 s PRO 122 N 1.38 3.55 0.05 2.79 0.02 -1.26 -1.02 135.00 140.51 2wi8 s PRO 122 Ca 0.03 0.68 -0.29 0.00 0.02 0.00 0.00 61.00 61.45 2wi8 s PRO 122 Cb -0.15 -4.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.31 2wi8 s PRO 122 CO -0.05 -1.61 0.92 0.08 -0.33 0.00 0.00 177.00 176.01 2wi8 s VAL 123 N 5.28 4.69 0.30 3.83 1.01 0.58 -4.46 120.40 131.65 2wi8 s VAL 123 Ca 0.55 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 64.20 2wi8 s VAL 123 Cb -0.11 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 2wi8 s VAL 123 CO 0.30 0.27 1.26 -0.55 0.00 0.00 0.00 175.10 176.38 2wi8 s SER 124 N 0.38 6.90 0.00 3.32 0.15 -1.26 -1.29 113.70 121.90 2wi8 s SER 124 Ca 0.47 2.56 0.21 0.00 0.70 0.00 0.00 55.95 59.89 2wi8 s SER 124 Cb -0.22 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 61.99 2wi8 s SER 124 CO 0.28 -0.44 1.45 0.00 1.20 0.00 0.00 173.24 175.72 2wi8 n HIS 125 N 1.11 0.44 -2.98 3.44 1.44 -1.26 -4.92 115.22 112.50 2wi8 n HIS 125 Ca 0.00 -0.22 -0.40 0.00 -2.01 0.00 0.00 57.72 55.09 2wi8 n HIS 125 Cb 0.43 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.49 2wi8 n HIS 125 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2wi8 s ILE 126 N -1.56 4.98 0.43 0.61 1.01 -1.26 -4.95 121.20 120.46 2wi8 s ILE 126 Ca 0.36 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.63 2wi8 s ILE 126 Cb 0.20 -4.08 0.25 0.00 0.01 0.00 0.00 42.46 38.84 2wi8 s ILE 126 CO 0.29 0.16 2.05 -1.28 0.00 0.00 0.00 174.94 176.16 2wi8 h SER 127 N 7.01 0.34 0.30 3.58 0.87 -1.83 -1.27 113.55 122.55 2wi8 h SER 127 Ca -0.36 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2wi8 h SER 127 Cb 1.17 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2wi8 h SER 127 CO 0.78 0.28 0.00 -1.54 -0.53 0.00 0.00 176.83 175.82 2wi8 n SER 128 N -4.46 0.61 -1.31 6.23 3.41 -1.26 -1.24 113.62 115.60 2wi8 n SER 128 Ca 0.01 0.73 0.05 0.00 -0.26 0.00 0.00 58.87 59.40 2wi8 n SER 128 Cb 0.10 -0.83 0.26 0.00 -0.26 0.00 0.00 64.21 63.48 2wi8 n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wi8 n ASN 129 N -2.26 3.82 -0.19 4.04 5.03 -0.48 -4.60 115.26 120.62 2wi8 n ASN 129 Ca -0.00 -2.48 0.04 0.00 0.87 0.00 0.00 54.58 53.01 2wi8 n ASN 129 Cb 0.11 -0.56 0.31 0.00 -1.02 0.00 0.00 39.78 38.63 2wi8 n ASN 129 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 2wi8 h TRP 130 N 2.71 0.83 -0.08 3.10 5.08 -1.32 -0.16 115.95 126.10 2wi8 h TRP 130 Ca 0.00 0.02 -0.16 0.00 1.08 0.00 0.00 58.89 59.83 2wi8 h TRP 130 Cb 1.30 -0.28 0.01 0.00 -3.00 0.00 0.00 29.16 27.20 2wi8 h TRP 130 CO 0.64 0.47 -0.56 0.87 -1.28 0.00 0.00 178.44 178.58 2wi8 h LYS 131 N 0.85 0.53 -0.81 0.12 1.57 -1.85 -2.35 116.57 114.63 2wi8 h LYS 131 Ca 0.30 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2wi8 h LYS 131 Cb 0.12 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2wi8 h LYS 131 CO -0.09 1.09 0.47 0.93 -0.57 0.00 0.00 179.45 181.27 2wi8 h GLU 132 N 0.12 1.11 -0.43 3.15 3.07 -1.74 -0.12 114.58 119.73 2wi8 h GLU 132 Ca -0.05 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.65 2wi8 h GLU 132 Cb 1.22 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 2wi8 h GLU 132 CO 0.11 0.79 0.07 -0.91 -1.40 0.00 0.00 179.01 177.68 2wi8 h ASN 133 N 1.12 0.68 -0.25 1.42 2.35 -0.98 -0.63 115.58 119.29 2wi8 h ASN 133 Ca 0.29 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2wi8 h ASN 133 Cb -0.01 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2wi8 h ASN 133 CO -0.05 0.77 0.15 -0.03 -1.65 0.00 0.00 177.43 176.61 2wi8 h MET 134 N 0.57 0.29 -0.37 0.81 1.85 -1.11 -2.45 114.93 114.52 2wi8 h MET 134 Ca 0.13 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 59.11 2wi8 h MET 134 Cb 0.37 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 2wi8 h MET 134 CO 0.01 0.19 -0.14 0.52 -0.40 0.00 0.00 176.91 177.09 2wi8 h MET 135 N 0.30 0.67 -0.06 0.39 2.86 -0.89 -0.84 114.93 117.35 2wi8 h MET 135 Ca 0.10 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2wi8 h MET 135 Cb -0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2wi8 h MET 135 CO -0.05 0.79 -0.08 1.25 1.06 0.00 0.00 176.91 179.88 2wi8 h LEU 136 N 0.61 -0.24 -0.88 1.22 5.85 -0.97 0.16 115.31 121.04 2wi8 h LEU 136 Ca 0.10 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2wi8 h LEU 136 Cb 0.59 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2wi8 h LEU 136 CO 0.04 -0.11 0.01 0.25 -0.34 0.00 0.00 178.44 178.29 2wi8 h LEU 137 N -0.11 0.80 -0.60 2.25 5.85 -0.93 -1.66 115.31 120.91 2wi8 h LEU 137 Ca 0.05 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2wi8 h LEU 137 Cb 0.19 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2wi8 h LEU 137 CO -0.13 0.86 0.40 0.00 -0.34 0.00 0.00 178.44 179.23 2wi8 h ALA 138 N 1.23 0.77 -0.16 1.25 0.00 -0.88 -2.16 119.26 119.31 2wi8 h ALA 138 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2wi8 h ALA 138 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wi8 h ALA 138 CO 0.02 0.19 -0.20 1.96 0.00 0.00 0.00 179.25 181.22 2wi8 h GLN 139 N 0.81 0.28 0.00 0.00 4.20 -0.22 0.41 115.11 120.60 2wi8 h GLN 139 Ca 0.22 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2wi8 h GLN 139 Cb -0.09 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2wi8 h GLN 139 CO -0.05 0.48 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.22 2wi8 h LEU 140 N 0.25 0.00 -1.76 1.46 3.38 -0.92 -3.35 115.31 114.37 2wi8 h LEU 140 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wi8 h LEU 140 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wi8 h LEU 140 CO 0.03 0.29 0.00 0.35 0.09 0.00 0.00 178.44 179.20 2wi8 n THR 141 N -3.40 0.32 -1.54 0.22 -2.24 -0.85 -0.80 114.28 105.99 2wi8 n THR 141 Ca 0.00 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.06 2wi8 n THR 141 Cb 0.49 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2wi8 n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wi8 n GLY 142 N 0.20 0.60 1.17 3.38 0.00 -0.56 -4.76 105.19 105.21 2wi8 n GLY 142 Ca 0.04 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 2wi8 n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wi8 n LYS 143 N -2.38 1.84 -0.22 1.61 5.02 0.03 -4.71 118.16 119.35 2wi8 n LYS 143 Ca -0.07 -3.22 0.01 0.00 -2.02 0.00 0.00 58.31 53.01 2wi8 n LYS 143 Cb 0.34 -1.82 0.13 0.00 -0.02 0.00 0.00 35.03 33.66 2wi8 n LYS 143 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wi8 h GLU 144 N 1.02 0.47 -0.42 1.97 3.07 -1.92 -1.46 114.58 117.32 2wi8 h GLU 144 Ca 0.22 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2wi8 h GLU 144 Cb 1.63 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.42 2wi8 h GLU 144 CO 0.39 0.31 0.23 0.87 -1.40 0.00 0.00 179.01 179.41 2wi8 h LYS 145 N 0.49 0.58 -0.06 2.33 1.79 -1.94 0.89 116.57 120.64 2wi8 h LYS 145 Ca 0.33 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2wi8 h LYS 145 Cb 0.40 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2wi8 h LYS 145 CO -0.30 0.46 0.03 -0.22 -1.08 0.00 0.00 179.45 178.35 2wi8 h LYS 146 N 0.54 0.09 -0.68 3.15 3.64 -1.87 -1.78 116.57 119.66 2wi8 h LYS 146 Ca 0.15 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2wi8 h LYS 146 Cb 0.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2wi8 h LYS 146 CO -0.02 0.15 0.43 0.00 -2.27 0.00 0.00 179.45 177.73 2wi8 h ALA 147 N 0.94 0.88 -0.66 5.00 0.00 -1.05 -1.13 119.26 123.24 2wi8 h ALA 147 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2wi8 h ALA 147 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2wi8 h ALA 147 CO -0.00 0.20 0.22 0.87 0.00 0.00 0.00 179.25 180.54 2wi8 h LYS 148 N 0.84 0.99 -0.60 0.00 1.57 -0.71 -1.51 116.57 117.14 2wi8 h LYS 148 Ca 0.27 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2wi8 h LYS 148 Cb 0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2wi8 h LYS 148 CO -0.10 0.84 0.16 -0.22 -0.57 0.00 0.00 179.45 179.55 2wi8 h LYS 149 N 0.96 0.96 -0.53 3.15 1.63 -1.06 -0.77 116.57 120.90 2wi8 h LYS 149 Ca 0.22 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 2wi8 h LYS 149 Cb 0.25 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2wi8 h LYS 149 CO -0.01 0.87 0.14 0.82 -3.45 0.00 0.00 179.45 177.82 2wi8 h ILE 150 N 0.87 1.24 -0.34 2.00 2.04 -0.87 0.21 117.51 122.67 2wi8 h ILE 150 Ca 0.19 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 2wi8 h ILE 150 Cb 0.34 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2wi8 h ILE 150 CO 0.00 0.31 0.08 0.40 0.00 0.00 0.00 178.15 178.94 2wi8 h ILE 151 N 0.75 1.22 -0.65 -0.67 2.04 -1.22 -0.61 117.51 118.37 2wi8 h ILE 151 Ca 0.17 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2wi8 h ILE 151 Cb 0.32 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2wi8 h ILE 151 CO -0.00 0.25 0.41 0.00 0.00 0.00 0.00 178.15 178.81 2wi8 h ALA 152 N 0.92 0.83 -0.57 1.87 0.00 -0.84 -0.47 119.26 120.99 2wi8 h ALA 152 Ca 0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2wi8 h ALA 152 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wi8 h ALA 152 CO 0.00 0.28 -0.01 -0.44 0.00 0.00 0.00 179.25 179.08 2wi8 h ASP 153 N 0.88 0.97 -0.19 0.00 3.32 -0.45 -1.48 116.42 119.47 2wi8 h ASP 153 Ca 0.24 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2wi8 h ASP 153 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2wi8 h ASP 153 CO -0.05 1.03 0.07 0.22 -1.72 0.00 0.00 179.24 178.80 2wi8 h TYR 154 N 0.91 0.29 -0.63 4.55 3.20 -0.63 0.25 116.97 124.90 2wi8 h TYR 154 Ca 0.16 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2wi8 h TYR 154 Cb 0.54 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 2wi8 h TYR 154 CO 0.04 0.35 0.33 0.93 -1.64 0.00 0.00 178.16 178.16 2wi8 h GLU 155 N 0.14 0.60 -0.33 1.82 4.39 -0.94 0.20 114.58 120.47 2wi8 h GLU 155 Ca 0.06 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2wi8 h GLU 155 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2wi8 h GLU 155 CO -0.00 0.40 -0.05 0.37 -1.16 0.00 0.00 179.01 178.56 2wi8 h GLN 156 N 0.62 0.61 -0.26 2.33 5.75 -1.07 -1.29 115.11 121.79 2wi8 h GLN 156 Ca 0.29 -0.22 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 2wi8 h GLN 156 Cb 0.21 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2wi8 h GLN 156 CO -0.19 0.77 -0.21 -0.44 -2.65 0.00 0.00 178.83 176.11 2wi8 h ASP 157 N 0.40 0.47 -0.26 -0.69 3.32 -0.24 -0.86 116.42 118.56 2wi8 h ASP 157 Ca 0.09 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 2wi8 h ASP 157 Cb 0.52 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2wi8 h ASP 157 CO 0.03 0.69 -0.13 0.25 -1.72 0.00 0.00 179.24 178.35 2wi8 h LEU 158 N 0.43 0.57 -0.56 1.55 5.85 -0.39 0.35 115.31 123.11 2wi8 h LEU 158 Ca 0.07 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2wi8 h LEU 158 Cb 0.61 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2wi8 h LEU 158 CO 0.04 0.86 0.36 0.11 -0.34 0.00 0.00 178.44 179.47 2wi8 h LYS 159 N 0.28 0.75 -0.21 1.25 1.79 -0.97 -0.88 116.57 118.58 2wi8 h LYS 159 Ca 0.06 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2wi8 h LYS 159 Cb 0.65 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2wi8 h LYS 159 CO 0.04 0.51 0.10 0.93 -1.08 0.00 0.00 179.45 179.95 2wi8 h GLU 160 N 0.76 0.30 -0.65 3.15 5.08 -1.03 -1.23 114.58 120.95 2wi8 h GLU 160 Ca 0.20 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2wi8 h GLU 160 Cb -0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2wi8 h GLU 160 CO -0.04 0.31 0.39 1.15 -1.00 0.00 0.00 179.01 179.83 2wi8 h THR 161 N 0.21 1.06 -0.68 1.13 2.02 -0.74 -1.41 112.91 114.50 2wi8 h THR 161 Ca 0.07 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2wi8 h THR 161 Cb 0.11 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 2wi8 h THR 161 CO -0.01 0.14 0.18 0.11 0.37 0.00 0.00 175.52 176.31 2wi8 h LYS 162 N 0.76 1.06 -0.88 6.66 1.57 -0.78 -1.72 116.57 123.24 2wi8 h LYS 162 Ca 0.27 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2wi8 h LYS 162 Cb 0.05 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.16 2wi8 h LYS 162 CO -0.12 0.92 0.57 1.15 -0.57 0.00 0.00 179.45 181.40 2wi8 h THR 163 N 1.01 1.12 0.00 -0.16 2.02 -0.73 -3.06 112.91 113.11 2wi8 h THR 163 Ca 0.22 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2wi8 h THR 163 Cb 0.32 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2wi8 h THR 163 CO -0.00 0.20 0.00 0.29 0.37 0.00 0.00 175.52 176.37 2wi8 n LYS 164 N -4.55 0.12 -3.23 6.66 5.02 -0.58 -4.70 118.16 116.91 2wi8 n LYS 164 Ca 0.12 0.13 -0.39 0.00 -2.02 0.00 0.00 58.31 56.15 2wi8 n LYS 164 Cb 0.12 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 2wi8 n LYS 164 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wi8 s ILE 165 N -3.06 5.10 0.79 -0.18 1.01 -0.72 -2.33 121.20 121.81 2wi8 s ILE 165 Ca 0.12 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 2wi8 s ILE 165 Cb 0.15 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.83 2wi8 s ILE 165 CO 0.53 0.19 1.17 0.54 0.00 0.00 0.00 174.94 177.37 2wi8 s ASN 166 N 1.08 4.64 0.40 3.58 4.22 -1.26 -4.79 114.94 122.81 2wi8 s ASN 166 Ca 0.26 0.83 0.08 0.00 -2.14 0.00 0.00 52.86 51.89 2wi8 s ASN 166 Cb -0.16 -1.37 0.84 0.00 1.28 0.00 0.00 41.25 41.85 2wi8 s ASN 166 CO 0.10 -1.82 2.01 0.44 -2.04 0.00 0.00 177.10 175.79 2wi8 h ASP 167 N -1.00 0.37 -0.17 3.54 3.32 -1.96 -0.94 116.42 119.58 2wi8 h ASP 167 Ca -0.46 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2wi8 h ASP 167 Cb 1.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2wi8 h ASP 167 CO 0.66 0.35 0.11 0.50 -1.72 0.00 0.00 179.24 179.14 2wi8 h LYS 168 N 0.42 0.22 -0.60 3.56 3.64 -1.97 -0.72 116.57 121.12 2wi8 h LYS 168 Ca 0.10 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2wi8 h LYS 168 Cb 0.10 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2wi8 h LYS 168 CO -0.01 0.14 0.12 0.00 -2.27 0.00 0.00 179.45 177.44 2wi8 h ALA 169 N 1.07 1.09 -0.56 5.00 0.00 -1.75 -2.47 119.26 121.64 2wi8 h ALA 169 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wi8 h ALA 169 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wi8 h ALA 169 CO -0.02 0.60 0.35 -0.22 0.00 0.00 0.00 179.25 179.96 2wi8 h LYS 170 N 0.90 0.74 -0.25 0.00 1.63 -0.94 -2.08 116.57 116.57 2wi8 h LYS 170 Ca 0.19 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2wi8 h LYS 170 Cb 0.36 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2wi8 h LYS 170 CO 0.00 0.50 0.00 -0.25 -3.45 0.00 0.00 179.45 176.26 2wi8 n ASP 171 N -4.44 1.97 -4.91 4.20 8.00 -0.30 -4.42 116.55 116.66 2wi8 n ASP 171 Ca 0.05 -1.81 -0.28 0.00 0.71 0.00 0.00 54.79 53.46 2wi8 n ASP 171 Cb 0.06 -0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.05 2wi8 n ASP 171 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wi8 s SER 172 N -1.42 5.15 -0.34 -2.24 1.04 -0.78 -4.97 113.70 110.13 2wi8 s SER 172 Ca 0.31 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 2wi8 s SER 172 Cb 0.17 -1.51 -0.00 0.00 0.10 0.00 0.00 66.02 64.77 2wi8 s SER 172 CO 0.25 -1.42 0.52 -0.54 0.98 0.00 0.00 173.24 173.02 2wi8 s LYS 173 N -5.25 3.65 0.08 4.02 1.02 -1.26 -4.52 119.74 117.48 2wi8 s LYS 173 Ca 0.58 -0.12 0.10 0.00 0.02 0.00 0.00 55.97 56.55 2wi8 s LYS 173 Cb -0.11 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 2wi8 s LYS 173 CO 0.47 -0.63 -0.26 0.00 -0.92 0.00 0.00 175.35 174.02 2wi8 s ALA 174 N 2.40 2.35 -0.05 5.17 0.00 -1.26 0.06 121.76 130.44 2wi8 s ALA 174 Ca 0.19 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 2wi8 s ALA 174 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2wi8 s ALA 174 CO 0.13 0.54 0.13 -1.17 0.00 0.00 0.00 175.76 175.39 2wi8 s LEU 175 N -1.62 1.50 -0.23 0.00 2.96 -0.49 -4.76 118.68 116.04 2wi8 s LEU 175 Ca 0.13 0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 54.23 2wi8 s LEU 175 Cb -0.10 0.45 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 2wi8 s LEU 175 CO 0.04 -0.06 0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 2wi8 s VAL 176 N 0.02 3.87 0.12 1.68 1.01 -1.26 -0.26 120.40 125.58 2wi8 s VAL 176 Ca -0.00 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2wi8 s VAL 176 Cb -0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2wi8 s VAL 176 CO 0.00 0.39 -0.18 0.27 0.00 0.00 0.00 175.10 175.57 2wi8 s ILE 177 N 1.47 2.81 -0.03 2.22 -4.36 0.21 -4.57 121.20 118.95 2wi8 s ILE 177 Ca 0.05 -1.55 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 2wi8 s ILE 177 Cb -0.15 -2.29 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 2wi8 s ILE 177 CO 0.00 0.08 -0.15 -0.60 0.24 0.00 0.00 174.94 174.52 2wi8 s ARG 178 N -2.19 1.42 -0.24 0.37 3.52 -0.47 -0.99 118.95 120.36 2wi8 s ARG 178 Ca 0.18 -0.52 -0.08 0.00 -0.13 0.00 0.00 55.73 55.18 2wi8 s ARG 178 Cb -0.10 -1.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 2wi8 s ARG 178 CO 0.10 0.24 0.09 0.42 -0.81 0.00 0.00 175.30 175.34 2wi8 s ILE 179 N -0.05 4.62 -0.03 4.11 1.01 -0.21 -0.83 121.20 129.83 2wi8 s ILE 179 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2wi8 s ILE 179 Cb -0.09 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.25 2wi8 s ILE 179 CO 0.01 0.35 0.01 -0.13 0.00 0.00 0.00 174.94 175.18 2wi8 s ARG 180 N 1.36 0.16 -1.39 2.79 0.52 -0.31 -4.41 118.95 117.66 2wi8 s ARG 180 Ca 0.06 0.12 -0.10 0.00 -0.52 0.00 0.00 55.73 55.29 2wi8 s ARG 180 Cb -0.15 -0.39 0.07 0.00 0.52 0.00 0.00 34.95 35.01 2wi8 s ARG 180 CO 0.05 -0.15 0.62 1.04 0.02 0.00 0.00 175.30 176.87 2wi8 n GLN 181 N 4.17 -3.93 -0.92 3.54 3.00 0.33 -1.05 117.38 122.52 2wi8 n GLN 181 Ca -0.27 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2wi8 n GLN 181 Cb 0.50 -5.30 0.00 0.00 0.00 0.00 0.00 30.24 25.44 2wi8 n GLN 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wi8 n GLY 182 N -1.32 0.67 3.83 1.08 0.00 -1.26 -4.93 105.19 103.26 2wi8 n GLY 182 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2wi8 n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wi8 s ASN 183 N -2.56 5.69 -0.20 1.61 0.02 -0.21 -4.99 114.94 114.30 2wi8 s ASN 183 Ca 0.00 -0.08 -0.11 0.00 -1.02 0.00 0.00 52.86 51.65 2wi8 s ASN 183 Cb 0.00 -1.53 -0.05 0.00 0.02 0.00 0.00 41.25 39.69 2wi8 s ASN 183 CO 0.00 0.05 0.17 -0.63 0.02 0.00 0.00 177.10 176.71 2wi8 s ILE 184 N -1.78 5.38 0.03 0.60 1.01 -1.26 -1.16 121.20 124.02 2wi8 s ILE 184 Ca 0.32 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.29 2wi8 s ILE 184 Cb -0.10 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2wi8 s ILE 184 CO 0.25 0.41 -0.21 -0.31 0.00 0.00 0.00 174.94 175.08 2wi8 s TYR 185 N 0.51 1.86 0.49 3.97 2.02 -0.01 -1.15 117.35 125.04 2wi8 s TYR 185 Ca 0.09 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 2wi8 s TYR 185 Cb -0.12 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 2wi8 s TYR 185 CO 0.00 0.07 0.16 0.96 -1.57 0.00 0.00 175.55 175.17 2wi8 s ILE 186 N -0.75 1.67 0.04 2.71 -4.36 0.10 -1.37 121.20 119.24 2wi8 s ILE 186 Ca 0.08 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 2wi8 s ILE 186 Cb -0.09 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 2wi8 s ILE 186 CO 0.01 0.00 -0.04 -0.31 0.24 0.00 0.00 174.94 174.84 2wi8 s TYR 187 N -2.76 0.50 0.98 1.37 2.02 -1.26 -0.69 117.35 117.51 2wi8 s TYR 187 Ca 0.25 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 56.07 2wi8 s TYR 187 Cb 0.02 -0.34 0.15 0.00 -0.40 0.00 0.00 41.96 41.39 2wi8 s TYR 187 CO 0.14 -0.24 0.91 -2.30 -1.57 0.00 0.00 175.55 172.50 2wi8 n PRO 188 N 0.81 -0.85 -0.21 -1.71 -0.02 -1.26 -4.73 135.00 127.03 2wi8 n PRO 188 Ca -0.19 -0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.22 2wi8 n PRO 188 Cb 0.58 -2.20 0.43 0.00 -0.02 0.00 0.00 33.50 32.29 2wi8 n PRO 188 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wi8 h GLU 189 N -1.99 0.57 -0.57 -0.52 4.81 -1.84 -2.27 114.58 112.76 2wi8 h GLU 189 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2wi8 h GLU 189 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2wi8 h GLU 189 CO 0.41 0.37 0.00 1.04 -0.73 0.00 0.00 179.01 180.10 2wi8 n GLN 190 N -4.51 3.77 -4.35 1.92 3.00 -1.26 -3.37 117.38 112.58 2wi8 n GLN 190 Ca 0.15 -2.87 -0.27 0.00 -0.01 0.00 0.00 57.00 54.00 2wi8 n GLN 190 Cb 0.45 -1.90 -0.13 0.00 0.00 0.00 0.00 30.24 28.67 2wi8 n GLN 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2wi8 s VAL 191 N -2.04 2.03 0.00 5.09 1.01 -0.86 -4.48 120.40 121.15 2wi8 s VAL 191 Ca 0.49 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2wi8 s VAL 191 Cb 0.33 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2wi8 s VAL 191 CO 0.21 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.32 2wi8 n TYR 192 N 0.94 0.00 1.46 5.22 9.36 -1.26 -2.21 117.16 130.67 2wi8 n TYR 192 Ca -0.18 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.19 2wi8 n TYR 192 Cb 0.53 0.04 0.77 0.00 -0.63 0.00 0.00 39.34 40.05 2wi8 n TYR 192 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2wi8 n PHE 193 N 11.70 0.00 0.25 2.98 3.72 -1.25 -3.36 117.46 131.50 2wi8 n PHE 193 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 2wi8 n PHE 193 Cb 0.00 -0.26 0.66 0.00 -0.94 0.00 0.00 39.48 38.93 2wi8 n PHE 193 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2wi8 h ASN 194 N 0.02 0.00 0.87 4.37 2.35 -1.70 -0.95 115.58 120.54 2wi8 h ASN 194 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2wi8 h ASN 194 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2wi8 h ASN 194 CO 0.00 0.14 -0.09 0.77 -1.65 0.00 0.00 177.43 176.60 2wi8 h SER 195 N 0.00 0.00 0.06 5.81 4.64 -1.60 -0.27 113.55 122.18 2wi8 h SER 195 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2wi8 h SER 195 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2wi8 h SER 195 CO 0.02 0.09 -1.52 0.74 -0.87 0.00 0.00 176.83 175.29 2wi8 h THR 196 N 0.00 0.84 -0.05 2.95 2.02 -1.51 -2.18 112.91 114.98 2wi8 h THR 196 Ca -0.00 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.91 2wi8 h THR 196 Cb 0.54 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2wi8 h THR 196 CO 0.01 0.56 0.02 0.25 0.37 0.00 0.00 175.52 176.74 2wi8 h LEU 197 N -0.55 0.07 0.02 2.58 5.85 -1.13 0.12 115.31 122.27 2wi8 h LEU 197 Ca -0.37 -0.13 -0.39 0.00 0.84 0.00 0.00 57.88 57.83 2wi8 h LEU 197 Cb 1.61 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 2wi8 h LEU 197 CO -0.07 0.18 -2.33 -1.22 -0.34 0.00 0.00 178.44 174.66 2wi8 n TYR 198 N -4.98 0.29 0.08 1.25 4.01 -0.12 -2.94 117.16 114.75 2wi8 n TYR 198 Ca -0.06 0.08 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 2wi8 n TYR 198 Cb 0.09 -1.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.03 2wi8 n TYR 198 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2wi8 h GLY 199 N 0.97 0.09 0.00 2.72 0.00 -1.38 -2.30 103.07 103.16 2wi8 h GLY 199 Ca -0.57 -0.19 -0.35 0.00 0.00 0.00 0.00 47.33 46.23 2wi8 h GLY 199 CO -0.14 0.16 -2.15 1.22 0.00 0.00 0.00 176.54 175.63 2wi8 n ASP 200 N -3.50 1.90 0.21 0.19 8.00 -0.84 -4.58 116.55 117.92 2wi8 n ASP 200 Ca -0.02 0.33 0.09 0.00 0.71 0.00 0.00 54.79 55.90 2wi8 n ASP 200 Cb 0.88 -0.78 0.36 0.00 -0.02 0.00 0.00 41.12 41.56 2wi8 n ASP 200 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2wi8 h LEU 201 N -0.97 0.00 0.00 0.64 3.38 -0.87 -3.47 115.31 114.03 2wi8 h LEU 201 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2wi8 h LEU 201 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2wi8 h LEU 201 CO -0.32 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.06 2wi8 n GLY 202 N 0.44 0.55 3.79 0.83 0.00 -0.87 -4.98 105.19 104.96 2wi8 n GLY 202 Ca 0.01 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2wi8 n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wi8 s LEU 203 N 0.00 3.32 -0.11 0.99 1.02 -1.15 -4.98 118.68 117.77 2wi8 s LEU 203 Ca 0.00 1.84 -0.22 0.00 0.02 0.00 0.00 54.13 55.76 2wi8 s LEU 203 Cb 0.00 -4.53 -0.03 0.00 0.02 0.00 0.00 46.19 41.65 2wi8 s LEU 203 CO 0.00 -1.50 0.66 -0.75 0.02 0.00 0.00 176.35 174.77 2wi8 s LYS 204 N -4.40 4.37 0.18 1.70 2.20 -1.26 -4.41 119.74 118.12 2wi8 s LYS 204 Ca 0.63 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 56.70 2wi8 s LYS 204 Cb -0.17 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 2wi8 s LYS 204 CO 0.45 -0.01 1.21 0.00 -0.36 0.00 0.00 175.35 176.64 2wi8 s ALA 205 N 1.08 3.45 0.80 3.13 0.00 -1.26 -4.67 121.76 124.29 2wi8 s ALA 205 Ca 0.34 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 2wi8 s ALA 205 Cb -0.17 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.61 2wi8 s ALA 205 CO 0.15 -0.39 1.11 -1.25 0.00 0.00 0.00 175.76 175.38 2wi8 s PRO 206 N -0.17 1.95 0.35 0.00 0.04 -1.26 -4.80 135.00 131.11 2wi8 s PRO 206 Ca 0.53 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.95 2wi8 s PRO 206 Cb -0.33 -1.85 0.75 0.00 0.04 0.00 0.00 34.50 33.11 2wi8 s PRO 206 CO 0.36 -1.89 1.92 -0.91 0.04 0.00 0.00 177.00 176.52 2wi8 h ASN 207 N -1.22 0.68 -0.78 6.66 -0.26 -1.98 -1.41 115.58 117.27 2wi8 h ASN 207 Ca -0.44 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.31 2wi8 h ASN 207 Cb 1.24 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 38.34 2wi8 h ASN 207 CO 0.49 0.40 0.47 -0.33 -1.06 0.00 0.00 177.43 177.40 2wi8 h GLU 208 N 0.75 1.07 -0.14 0.81 3.07 -1.98 0.89 114.58 119.05 2wi8 h GLU 208 Ca 0.37 -0.10 -0.23 0.00 -0.50 0.00 0.00 59.36 58.91 2wi8 h GLU 208 Cb 0.45 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2wi8 h GLU 208 CO -0.15 0.76 -0.80 0.28 -1.40 0.00 0.00 179.01 177.70 2wi8 h VAL 209 N 1.09 1.28 -0.11 3.13 2.07 -1.59 -2.43 116.25 119.68 2wi8 h VAL 209 Ca 0.28 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.76 2wi8 h VAL 209 Cb -0.03 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2wi8 h VAL 209 CO -0.05 0.63 -0.17 0.11 0.02 0.00 0.00 177.57 178.11 2wi8 h LYS 210 N 0.53 0.18 0.00 1.57 1.57 -0.71 -2.62 116.57 117.09 2wi8 h LYS 210 Ca -0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2wi8 h LYS 210 Cb 1.44 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 2wi8 h LYS 210 CO 0.17 0.35 -0.28 0.00 -0.57 0.00 0.00 179.45 179.12 2wi8 h ALA 211 N 1.66 0.82 -2.77 3.86 0.00 -0.79 -3.47 119.26 118.58 2wi8 h ALA 211 Ca 0.03 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 2wi8 h ALA 211 Cb 0.41 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.21 2wi8 h ALA 211 CO 0.03 0.35 0.74 0.00 0.00 0.00 0.00 179.25 180.37 2wi8 s ALA 212 N -3.09 3.61 -0.67 0.00 0.00 -0.92 -4.92 121.76 115.76 2wi8 s ALA 212 Ca 0.05 1.32 0.17 0.00 0.00 0.00 0.00 51.96 53.51 2wi8 s ALA 212 Cb 0.06 -3.55 -0.21 0.00 0.00 0.00 0.00 23.12 19.43 2wi8 s ALA 212 CO 0.71 -0.74 0.67 1.63 0.00 0.00 0.00 175.76 178.04 2wi8 n LYS 213 N 2.09 1.13 -3.67 0.00 5.02 -1.26 -4.45 118.16 117.01 2wi8 n LYS 213 Ca 0.06 -0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 2wi8 n LYS 213 Cb 0.40 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2wi8 n LYS 213 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wi8 n ALA 214 N -1.54 -2.34 -1.59 7.82 0.00 -1.26 -4.92 120.51 116.69 2wi8 n ALA 214 Ca 0.02 -0.99 -0.58 0.00 0.00 0.00 0.00 53.44 51.89 2wi8 n ALA 214 Cb 0.31 0.61 -0.07 0.00 0.00 0.00 0.00 19.45 20.29 2wi8 n ALA 214 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wi8 n GLN 215 N -0.64 0.52 -3.96 0.00 7.27 -1.26 -4.38 117.38 114.93 2wi8 n GLN 215 Ca -0.03 0.19 -0.19 0.00 0.07 0.00 0.00 57.00 57.03 2wi8 n GLN 215 Cb 0.54 -1.76 -0.17 0.00 2.41 0.00 0.00 30.24 31.27 2wi8 n GLN 215 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2wi8 s GLU 216 N 0.93 0.50 0.34 3.69 2.56 0.13 -4.98 118.70 121.88 2wi8 s GLU 216 Ca 0.91 0.04 -0.29 0.00 0.00 0.00 0.00 54.97 55.64 2wi8 s GLU 216 Cb -1.17 -0.68 -0.11 0.00 2.00 0.00 0.00 34.13 34.17 2wi8 s GLU 216 CO 0.58 -0.16 1.38 -0.51 -0.56 0.00 0.00 175.26 175.99 2wi8 s LEU 217 N 1.20 4.39 0.20 2.70 1.43 -1.26 -0.72 118.68 126.62 2wi8 s LEU 217 Ca -0.07 2.81 0.09 0.00 -1.03 0.00 0.00 54.13 55.93 2wi8 s LEU 217 Cb -0.13 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2wi8 s LEU 217 CO -0.02 -0.66 -0.17 0.27 0.23 0.00 0.00 176.35 176.00 2wi8 s ILE 218 N -1.07 1.89 0.35 -0.59 -4.36 -0.30 -4.84 121.20 112.29 2wi8 s ILE 218 Ca 0.51 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 2wi8 s ILE 218 Cb -0.42 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 2wi8 s ILE 218 CO 0.56 -0.44 0.55 -0.94 0.24 0.00 0.00 174.94 174.91 2wi8 s SER 219 N -3.05 6.28 0.26 4.36 1.04 -1.26 -4.42 113.70 116.91 2wi8 s SER 219 Ca 0.21 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 2wi8 s SER 219 Cb -0.04 -2.01 0.32 0.00 0.10 0.00 0.00 66.02 64.40 2wi8 s SER 219 CO 0.08 -0.31 1.92 0.25 0.98 0.00 0.00 173.24 176.16 2wi8 h LEU 220 N 0.74 1.05 -1.16 2.42 5.85 -1.99 -0.91 115.31 121.31 2wi8 h LEU 220 Ca -0.50 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 2wi8 h LEU 220 Cb 1.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2wi8 h LEU 220 CO 0.61 0.80 0.29 1.05 -0.34 0.00 0.00 178.44 180.85 2wi8 h GLU 221 N 1.22 0.87 -0.21 1.25 9.09 -1.99 -0.05 114.58 124.76 2wi8 h GLU 221 Ca 0.32 -0.12 -0.16 0.00 0.05 0.00 0.00 59.36 59.46 2wi8 h GLU 221 Cb -0.07 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 26.86 2wi8 h GLU 221 CO -0.06 0.68 -0.51 -0.22 0.05 0.00 0.00 179.01 178.95 2wi8 h LYS 222 N 0.87 0.60 -0.88 1.06 1.63 -1.78 -1.09 116.57 116.98 2wi8 h LYS 222 Ca 0.21 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 2wi8 h LYS 222 Cb 0.11 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 2wi8 h LYS 222 CO -0.03 0.97 0.49 1.25 -3.45 0.00 0.00 179.45 178.68 2wi8 h LEU 223 N 0.47 1.09 -0.65 5.20 5.85 -0.71 -0.52 115.31 126.05 2wi8 h LEU 223 Ca 0.02 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 2wi8 h LEU 223 Cb 1.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2wi8 h LEU 223 CO 0.10 0.87 -0.47 -1.28 -0.34 0.00 0.00 178.44 177.32 2wi8 h SER 224 N 1.22 0.54 -0.56 1.25 0.87 -0.77 0.10 113.55 116.20 2wi8 h SER 224 Ca 0.31 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 2wi8 h SER 224 Cb 0.02 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2wi8 h SER 224 CO -0.05 0.93 -0.06 -0.08 -0.53 0.00 0.00 176.83 177.04 2wi8 h GLU 225 N 0.40 1.03 -0.73 2.24 4.81 -0.81 -2.79 114.58 118.73 2wi8 h GLU 225 Ca 0.02 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2wi8 h GLU 225 Cb 0.97 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 2wi8 h GLU 225 CO 0.09 1.05 0.46 0.52 -0.73 0.00 0.00 179.01 180.40 2wi8 h MET 226 N 0.92 0.98 -6.76 1.92 2.86 -0.83 -3.47 114.93 110.54 2wi8 h MET 226 Ca 0.15 -0.07 -0.55 0.00 -2.06 0.00 0.00 59.70 57.17 2wi8 h MET 226 Cb 0.62 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.07 2wi8 h MET 226 CO 0.04 0.67 -1.00 -1.71 1.06 0.00 0.00 176.91 175.98 2wi8 n ASN 227 N -4.54 -4.50 -4.74 1.22 5.15 0.33 -4.89 115.26 103.29 2wi8 n ASN 227 Ca 0.07 -1.20 -0.33 0.00 -0.60 0.00 0.00 54.58 52.51 2wi8 n ASN 227 Cb 0.04 -2.05 0.08 0.00 -0.53 0.00 0.00 39.78 37.32 2wi8 n ASN 227 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wi8 s PRO 228 N -6.88 2.27 0.26 1.20 0.02 -1.26 -4.81 135.00 125.81 2wi8 s PRO 228 Ca 0.44 1.58 0.04 0.00 0.02 0.00 0.00 61.00 63.08 2wi8 s PRO 228 Cb -0.23 -1.87 0.35 0.00 0.02 0.00 0.00 34.50 32.78 2wi8 s PRO 228 CO 0.94 -1.69 1.65 -0.44 -0.33 0.00 0.00 177.00 177.12 2wi8 h ASP 229 N -0.36 0.37 -3.58 2.53 3.32 -0.71 -3.15 116.42 114.83 2wi8 h ASP 229 Ca -0.47 -0.16 -0.36 0.00 0.02 0.00 0.00 57.03 56.06 2wi8 h ASP 229 Cb 1.27 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 2wi8 h ASP 229 CO 0.51 0.76 -0.76 -1.00 -1.72 0.00 0.00 179.24 177.03 2wi8 s HIS 230 N -4.13 0.49 -0.12 4.55 3.76 -0.68 -4.41 115.29 114.76 2wi8 s HIS 230 Ca -0.05 -0.09 -0.00 0.00 -0.15 0.00 0.00 55.06 54.76 2wi8 s HIS 230 Cb 0.13 -0.46 0.02 0.00 1.11 0.00 0.00 32.58 33.38 2wi8 s HIS 230 CO 0.79 -0.12 -0.09 0.42 -0.85 0.00 0.00 174.74 174.89 2wi8 s ILE 231 N 0.69 1.15 -0.19 0.60 1.01 -0.64 -1.39 121.20 122.42 2wi8 s ILE 231 Ca -0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 2wi8 s ILE 231 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2wi8 s ILE 231 CO -0.01 0.39 0.47 -0.36 0.00 0.00 0.00 174.94 175.43 2wi8 s PHE 232 N 1.61 3.38 -0.15 3.97 0.40 0.64 -0.50 117.98 127.33 2wi8 s PHE 232 Ca 0.04 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.10 2wi8 s PHE 232 Cb -0.13 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.81 2wi8 s PHE 232 CO -0.08 -0.04 -0.19 0.08 0.70 0.00 0.00 175.22 175.69 2wi8 s VAL 233 N 1.43 2.34 -0.15 -0.44 1.01 0.13 -0.62 120.40 124.09 2wi8 s VAL 233 Ca 0.22 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2wi8 s VAL 233 Cb -0.15 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2wi8 s VAL 233 CO 0.09 0.53 -0.08 -1.10 0.00 0.00 0.00 175.10 174.54 2wi8 s GLN 234 N 0.80 3.49 -0.11 2.72 -1.52 -0.17 -0.15 119.66 124.72 2wi8 s GLN 234 Ca -0.07 -0.62 -0.04 0.00 -1.95 0.00 0.00 55.36 52.69 2wi8 s GLN 234 Cb -0.15 -2.79 0.05 0.00 -0.22 0.00 0.00 33.01 29.90 2wi8 s GLN 234 CO -0.01 0.16 0.12 0.12 -0.25 0.00 0.00 175.29 175.43 2wi8 s PHE 235 N 0.54 -0.02 -0.17 0.91 2.19 -1.26 -1.05 117.98 119.11 2wi8 s PHE 235 Ca -0.06 0.20 -0.06 0.00 0.33 0.00 0.00 56.93 57.34 2wi8 s PHE 235 Cb -0.15 -0.46 -0.04 0.00 -1.31 0.00 0.00 43.02 41.07 2wi8 s PHE 235 CO 0.03 -0.37 0.03 0.45 1.83 0.00 0.00 175.22 177.20 2wi8 s SER 236 N 2.22 5.38 0.40 6.13 0.15 -1.26 -4.76 113.70 121.96 2wi8 s SER 236 Ca 0.04 0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.81 2wi8 s SER 236 Cb -0.14 -1.89 0.88 0.00 -1.71 0.00 0.00 66.02 63.16 2wi8 s SER 236 CO -0.07 0.18 2.00 0.44 1.20 0.00 0.00 173.24 176.99 2wi8 h ASP 237 N 6.61 0.50 0.30 5.45 3.32 -1.96 -1.28 116.42 129.37 2wi8 h ASP 237 Ca -0.36 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2wi8 h ASP 237 Cb 1.18 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2wi8 h ASP 237 CO 0.68 0.33 0.00 0.44 -1.72 0.00 0.00 179.24 178.97 2wi8 h ASP 238 N 0.57 0.00 -0.25 6.45 3.32 -2.00 -1.61 116.42 122.90 2wi8 h ASP 238 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2wi8 h ASP 238 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2wi8 h ASP 238 CO -0.07 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.83 2wi8 n GLU 239 N -2.47 2.89 -0.24 3.56 1.02 -0.50 -4.48 120.64 120.43 2wi8 n GLU 239 Ca -0.01 -1.90 0.02 0.00 -0.02 0.00 0.00 57.16 55.26 2wi8 n GLU 239 Cb 0.12 -1.20 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2wi8 n GLU 239 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wi8 n ASN 240 N 0.24 0.65 -0.46 1.62 3.02 -0.65 -0.51 115.26 119.18 2wi8 n ASN 240 Ca 0.08 -1.94 0.38 0.00 -0.03 0.00 0.00 54.58 53.08 2wi8 n ASN 240 Cb 0.38 -0.17 0.66 0.00 -0.61 0.00 0.00 39.78 40.04 2wi8 n ASN 240 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wi8 h ALA 241 N 0.00 2.79 0.00 5.41 0.00 -1.67 1.33 119.26 127.12 2wi8 h ALA 241 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wi8 h ALA 241 Cb 1.12 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wi8 h ALA 241 CO 0.00 -1.44 -0.60 -0.40 0.00 0.00 0.00 179.25 176.81 2wi8 n ASP 242 N -4.70 0.58 -2.86 0.00 3.85 -1.26 -4.36 116.55 107.80 2wi8 n ASP 242 Ca 0.38 -0.33 -0.19 0.00 -0.71 0.00 0.00 54.79 53.94 2wi8 n ASP 242 Cb 1.49 0.38 -0.01 0.00 -1.35 0.00 0.00 41.12 41.63 2wi8 n ASP 242 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2wi8 n LYS 243 N -1.55 1.90 0.25 0.11 4.76 0.45 -4.95 118.16 119.14 2wi8 n LYS 243 Ca 0.05 -3.84 0.17 0.00 -2.87 0.00 0.00 58.31 51.82 2wi8 n LYS 243 Cb 0.34 -1.77 0.76 0.00 -1.84 0.00 0.00 35.03 32.52 2wi8 n LYS 243 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2wi8 h PRO 244 N 2.92 0.00 -0.60 1.97 0.13 -1.71 -1.41 132.00 133.31 2wi8 h PRO 244 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wi8 h PRO 244 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2wi8 h PRO 244 CO 0.62 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 2wi8 n ASP 245 N -2.86 3.40 -0.37 1.44 8.00 -1.26 -4.54 116.55 120.36 2wi8 n ASP 245 Ca -0.00 -1.99 -0.00 0.00 0.71 0.00 0.00 54.79 53.51 2wi8 n ASP 245 Cb 0.22 -0.40 0.14 0.00 -0.02 0.00 0.00 41.12 41.06 2wi8 n ASP 245 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wi8 h ALA 246 N 4.22 1.33 -0.15 2.24 0.00 -1.63 0.18 119.26 125.45 2wi8 h ALA 246 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2wi8 h ALA 246 Cb 0.87 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wi8 h ALA 246 CO 0.00 0.59 -0.47 1.25 0.00 0.00 0.00 179.25 180.62 2wi8 h LEU 247 N 1.29 0.68 -1.00 0.00 5.85 -1.83 -1.76 115.31 118.55 2wi8 h LEU 247 Ca 0.38 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2wi8 h LEU 247 Cb -0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2wi8 h LEU 247 CO -0.11 1.16 0.05 0.50 -0.34 0.00 0.00 178.44 179.70 2wi8 h LYS 248 N 0.24 0.78 -0.38 1.25 1.63 -1.79 0.10 116.57 118.40 2wi8 h LYS 248 Ca -0.02 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.53 2wi8 h LYS 248 Cb 1.09 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 2wi8 h LYS 248 CO 0.10 0.75 -0.07 -0.44 -3.45 0.00 0.00 179.45 176.34 2wi8 h ASP 249 N 0.74 0.61 -0.09 4.20 3.32 -0.93 -1.16 116.42 123.10 2wi8 h ASP 249 Ca 0.15 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2wi8 h ASP 249 Cb 0.37 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2wi8 h ASP 249 CO 0.01 0.72 0.01 0.25 -1.72 0.00 0.00 179.24 178.51 2wi8 h LEU 250 N 0.59 0.16 -2.08 1.55 5.85 -0.70 -2.98 115.31 117.70 2wi8 h LEU 250 Ca 0.11 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2wi8 h LEU 250 Cb 0.47 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2wi8 h LEU 250 CO 0.02 0.41 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.13 2wi8 h GLU 251 N -0.10 0.00 0.00 1.25 5.08 -0.48 -0.28 114.58 120.05 2wi8 h GLU 251 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wi8 h GLU 251 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2wi8 h GLU 251 CO 0.00 0.08 -0.18 1.63 -1.00 0.00 0.00 179.01 179.54 2wi8 n LYS 252 N -3.92 0.10 -2.26 2.33 5.02 -0.47 -4.58 118.16 114.38 2wi8 n LYS 252 Ca -0.02 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2wi8 n LYS 252 Cb 0.17 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2wi8 n LYS 252 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wi8 s ASN 253 N -3.53 6.91 0.47 4.39 3.84 -0.12 -4.89 114.94 122.01 2wi8 s ASN 253 Ca 0.12 2.19 0.20 0.00 0.21 0.00 0.00 52.86 55.58 2wi8 s ASN 253 Cb 0.16 -2.58 1.22 0.00 -0.55 0.00 0.00 41.25 39.50 2wi8 s ASN 253 CO 0.60 -0.61 1.95 -0.65 -2.79 0.00 0.00 177.10 175.60 2wi8 h PRO 254 N 6.99 0.22 -0.28 0.43 0.11 -1.90 -0.80 132.00 136.77 2wi8 h PRO 254 Ca -0.41 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.52 2wi8 h PRO 254 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wi8 h PRO 254 CO 0.86 0.14 -0.49 0.82 -0.21 0.00 0.00 178.00 179.12 2wi8 h ILE 255 N 0.22 1.29 -0.30 4.15 1.08 -1.93 -1.94 117.51 120.08 2wi8 h ILE 255 Ca 0.33 -1.69 -0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2wi8 h ILE 255 Cb 0.97 1.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 2wi8 h ILE 255 CO -0.07 0.54 0.18 -0.25 -0.69 0.00 0.00 178.15 177.87 2wi8 h TRP 256 N 0.60 0.41 -0.06 1.37 2.91 -1.45 -2.87 115.95 116.85 2wi8 h TRP 256 Ca 0.03 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.06 2wi8 h TRP 256 Cb 1.06 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2wi8 h TRP 256 CO 0.06 0.31 0.06 0.87 -1.03 0.00 0.00 178.44 178.71 2wi8 h LYS 257 N 0.38 0.00 -0.00 2.65 1.57 -0.94 -1.03 116.57 119.21 2wi8 h LYS 257 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2wi8 h LYS 257 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2wi8 h LYS 257 CO -0.02 0.00 -0.11 -1.13 -0.57 0.00 0.00 179.45 177.62 2wi8 n SER 258 N -4.02 0.15 -4.77 0.86 3.41 -0.75 -4.38 113.62 104.11 2wi8 n SER 258 Ca -0.01 0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 2wi8 n SER 258 Cb 0.16 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 2wi8 n SER 258 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wi8 s LEU 259 N -2.89 4.38 0.21 1.04 1.43 -0.39 -4.87 118.68 117.58 2wi8 s LEU 259 Ca 0.17 2.83 -0.09 0.00 -1.03 0.00 0.00 54.13 56.01 2wi8 s LEU 259 Cb 0.19 -3.65 0.24 0.00 0.03 0.00 0.00 46.19 43.00 2wi8 s LEU 259 CO 0.55 -0.69 1.80 0.50 0.23 0.00 0.00 176.35 178.74 2wi8 h LYS 260 N 3.49 0.65 -0.89 1.70 3.64 -1.87 -0.95 116.57 122.35 2wi8 h LYS 260 Ca -0.49 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2wi8 h LYS 260 Cb 1.23 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2wi8 h LYS 260 CO 0.67 0.43 0.58 0.00 -2.27 0.00 0.00 179.45 178.86 2wi8 h ALA 261 N 1.35 1.45 -0.12 5.00 0.00 -1.75 0.16 119.26 125.35 2wi8 h ALA 261 Ca 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2wi8 h ALA 261 Cb 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wi8 h ALA 261 CO -0.19 0.47 -0.05 0.28 0.00 0.00 0.00 179.25 179.75 2wi8 h VAL 262 N 1.10 1.31 -0.16 0.00 2.07 -1.65 0.48 116.25 119.40 2wi8 h VAL 262 Ca 0.35 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2wi8 h VAL 262 Cb 0.03 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2wi8 h VAL 262 CO -0.11 0.31 0.09 0.11 0.02 0.00 0.00 177.57 177.99 2wi8 h LYS 263 N -0.09 0.22 -0.37 1.57 1.57 -0.79 -2.22 116.57 116.46 2wi8 h LYS 263 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wi8 h LYS 263 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wi8 h LYS 263 CO 0.02 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.45 2wi8 n GLU 264 N -4.49 2.34 -3.63 3.15 -0.58 0.01 -4.95 120.64 112.50 2wi8 n GLU 264 Ca -0.01 -2.03 -0.23 0.00 -0.42 0.00 0.00 57.16 54.47 2wi8 n GLU 264 Cb 0.09 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.55 2wi8 n GLU 264 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2wi8 n ASP 265 N 1.23 -4.37 -1.28 1.62 8.00 -0.83 -4.91 116.55 116.02 2wi8 n ASP 265 Ca 0.19 -0.64 -0.08 0.00 0.71 0.00 0.00 54.79 54.97 2wi8 n ASP 265 Cb 0.54 -4.73 0.15 0.00 -0.02 0.00 0.00 41.12 37.06 2wi8 n ASP 265 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2wi8 n HIS 266 N -4.64 1.30 -4.28 1.24 8.25 0.16 -4.96 115.22 112.29 2wi8 n HIS 266 Ca -0.10 -1.82 -0.34 0.00 -0.26 0.00 0.00 57.72 55.20 2wi8 n HIS 266 Cb 0.60 -0.43 -0.12 0.00 1.12 0.00 0.00 29.99 31.15 2wi8 n HIS 266 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wi8 s VAL 267 N -3.70 3.90 -0.32 1.59 1.01 -1.24 -1.63 120.40 120.03 2wi8 s VAL 267 Ca 0.45 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2wi8 s VAL 267 Cb 0.40 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 34.15 2wi8 s VAL 267 CO -0.01 0.47 0.03 -0.31 0.00 0.00 0.00 175.10 175.28 2wi8 s TYR 268 N 0.60 3.29 -0.12 5.22 2.02 0.34 -4.99 117.35 123.71 2wi8 s TYR 268 Ca -0.02 -2.64 -0.19 0.00 -0.37 0.00 0.00 57.07 53.85 2wi8 s TYR 268 Cb -0.14 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 2wi8 s TYR 268 CO 0.02 -0.92 0.52 0.08 -1.57 0.00 0.00 175.55 173.69 2wi8 s VAL 269 N 1.07 5.15 -1.39 0.71 1.01 -1.26 -0.69 120.40 125.01 2wi8 s VAL 269 Ca 0.07 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 2wi8 s VAL 269 Cb -0.19 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2wi8 s VAL 269 CO -0.10 0.29 0.53 0.59 0.00 0.00 0.00 175.10 176.40 2wi8 n ASN 270 N 3.89 -0.75 0.25 3.32 3.02 0.79 -4.85 115.26 120.93 2wi8 n ASN 270 Ca -0.06 -0.94 0.10 0.00 -0.03 0.00 0.00 54.58 53.65 2wi8 n ASN 270 Cb 0.51 -3.38 0.65 0.00 -0.61 0.00 0.00 39.78 36.96 2wi8 n ASN 270 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2wi8 h SER 271 N -1.84 0.00 -3.88 6.41 4.64 -1.80 -3.43 113.55 113.64 2wi8 h SER 271 Ca -0.62 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.17 2wi8 h SER 271 Cb 1.37 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.26 2wi8 h SER 271 CO 0.61 0.15 -0.80 -0.69 -0.87 0.00 0.00 176.83 175.24 2wi8 s VAL 272 N -4.27 1.71 0.04 0.95 1.01 -1.26 -4.84 120.40 113.75 2wi8 s VAL 272 Ca -0.03 -1.73 -0.37 0.00 0.00 0.00 0.00 61.98 59.86 2wi8 s VAL 272 Cb 0.14 -1.68 -0.16 0.00 0.00 0.00 0.00 36.38 34.68 2wi8 s VAL 272 CO 0.62 -0.21 1.43 -0.67 0.00 0.00 0.00 175.10 176.26 2wi8 n ASP 273 N 0.67 1.91 0.04 3.32 -0.08 -1.26 -4.78 116.55 116.37 2wi8 n ASP 273 Ca -0.16 1.11 0.07 0.00 -1.51 0.00 0.00 54.79 54.29 2wi8 n ASP 273 Cb 0.55 -1.21 0.30 0.00 2.34 0.00 0.00 41.12 43.11 2wi8 n ASP 273 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2wi8 n PRO 274 N 3.06 0.05 0.00 -0.67 -0.04 -1.26 -1.23 135.00 134.91 2wi8 n PRO 274 Ca 0.19 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 64.18 2wi8 n PRO 274 Cb 0.19 -1.62 0.51 0.00 -0.04 0.00 0.00 33.50 32.54 2wi8 n PRO 274 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wi8 n LEU 275 N -1.73 0.94 -4.71 1.53 4.77 -1.26 -4.61 117.00 111.92 2wi8 n LEU 275 Ca 0.02 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 2wi8 n LEU 275 Cb 0.13 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2wi8 n LEU 275 CO 0.11 0.17 0.94 0.00 -1.33 0.00 0.00 177.39 177.28 2wi8 n ALA 276 N -0.54 1.50 0.01 -1.18 0.00 -0.36 -4.91 120.51 115.02 2wi8 n ALA 276 Ca 0.15 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.91 2wi8 n ALA 276 Cb 0.32 -2.28 0.19 0.00 0.00 0.00 0.00 19.45 17.68 2wi8 n ALA 276 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wi8 h GLN 277 N 2.61 0.50 0.00 0.00 1.08 -1.92 -3.48 115.11 113.91 2wi8 h GLN 277 Ca -0.47 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.54 2wi8 h GLN 277 Cb 1.28 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2wi8 h GLN 277 CO 0.63 0.71 0.00 0.41 -0.95 0.00 0.00 178.83 179.63 2wi8 n GLY 278 N -0.38 3.10 0.48 3.46 0.00 -1.26 -4.60 105.19 105.99 2wi8 n GLY 278 Ca -0.00 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.13 2wi8 n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wi8 n GLY 279 N 0.00 -0.20 3.90 -0.02 0.00 -1.21 -3.85 105.19 103.80 2wi8 n GLY 279 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2wi8 n GLY 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wi8 s THR 280 N -1.06 2.99 0.22 2.61 -4.23 -1.26 -4.66 115.64 110.25 2wi8 s THR 280 Ca 0.14 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 2wi8 s THR 280 Cb 0.10 -3.30 0.18 0.00 1.34 0.00 0.00 72.50 70.82 2wi8 s THR 280 CO 0.16 -0.38 1.73 0.00 -0.54 0.00 0.00 174.62 175.59 2wi8 h ALA 281 N -0.71 0.88 -0.06 3.99 0.00 -1.93 0.16 119.26 121.60 2wi8 h ALA 281 Ca -0.45 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2wi8 h ALA 281 Cb 1.28 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2wi8 h ALA 281 CO 0.64 -0.22 0.00 2.35 0.00 0.00 0.00 179.25 182.03 2wi8 h TRP 282 N 0.40 0.10 -0.96 0.00 7.01 -1.94 -0.89 115.95 119.67 2wi8 h TRP 282 Ca 0.35 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.35 2wi8 h TRP 282 Cb 0.49 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.47 2wi8 h TRP 282 CO -0.18 0.35 0.63 0.77 -2.79 0.00 0.00 178.44 177.22 2wi8 h SER 283 N -0.18 1.08 -0.53 2.65 0.02 -1.76 -1.65 113.55 113.18 2wi8 h SER 283 Ca 0.02 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2wi8 h SER 283 Cb 0.31 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2wi8 h SER 283 CO 0.00 0.76 -0.01 0.11 -1.14 0.00 0.00 176.83 176.55 2wi8 h LYS 284 N 1.26 0.94 -0.39 3.45 1.57 -0.47 0.86 116.57 123.79 2wi8 h LYS 284 Ca 0.36 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2wi8 h LYS 284 Cb -0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2wi8 h LYS 284 CO -0.10 0.96 0.19 0.28 -0.57 0.00 0.00 179.45 180.21 2wi8 h VAL 285 N 0.81 1.17 -0.38 0.50 2.07 -0.94 0.16 116.25 119.65 2wi8 h VAL 285 Ca 0.15 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 2wi8 h VAL 285 Cb 0.55 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2wi8 h VAL 285 CO 0.03 0.18 -0.33 0.03 0.02 0.00 0.00 177.57 177.50 2wi8 h ARG 286 N 0.49 0.90 -0.57 1.57 2.47 -1.14 -2.62 114.38 115.49 2wi8 h ARG 286 Ca 0.13 -0.46 -0.09 0.00 -1.26 0.00 0.00 59.98 58.31 2wi8 h ARG 286 Cb 0.12 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2wi8 h ARG 286 CO -0.02 1.11 0.01 0.35 0.56 0.00 0.00 179.97 181.98 2wi8 h PHE 287 N 0.71 1.05 -0.59 3.04 3.57 -0.67 -1.78 116.94 122.26 2wi8 h PHE 287 Ca 0.07 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2wi8 h PHE 287 Cb 0.92 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2wi8 h PHE 287 CO 0.06 0.93 0.38 1.25 -2.23 0.00 0.00 178.31 178.70 2wi8 h LEU 288 N 0.89 0.69 -0.44 0.59 5.85 -0.91 0.36 115.31 122.35 2wi8 h LEU 288 Ca 0.17 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2wi8 h LEU 288 Cb 0.51 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2wi8 h LEU 288 CO 0.02 0.52 0.25 0.11 -0.34 0.00 0.00 178.44 179.00 2wi8 h LYS 289 N 0.80 0.60 -0.08 1.25 6.56 -1.27 -0.12 116.57 124.32 2wi8 h LYS 289 Ca 0.22 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2wi8 h LYS 289 Cb -0.07 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.47 2wi8 h LYS 289 CO -0.04 0.46 0.03 0.00 -2.06 0.00 0.00 179.45 177.83 2wi8 h ALA 290 N 1.11 0.10 -0.82 3.86 0.00 -0.88 -2.57 119.26 120.05 2wi8 h ALA 290 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wi8 h ALA 290 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2wi8 h ALA 290 CO -0.03 -0.30 0.35 0.00 0.00 0.00 0.00 179.25 179.27 2wi8 h ALA 291 N 0.85 1.06 -0.31 0.00 0.00 -0.16 -1.76 119.26 118.94 2wi8 h ALA 291 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2wi8 h ALA 291 Cb 0.19 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2wi8 h ALA 291 CO -0.00 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.76 2wi8 h ALA 292 N 1.19 0.10 -0.52 0.00 0.00 -0.98 0.31 119.26 119.36 2wi8 h ALA 292 Ca 0.28 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2wi8 h ALA 292 Cb 0.18 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2wi8 h ALA 292 CO -0.03 -0.54 0.08 0.93 0.00 0.00 0.00 179.25 179.70 2wi8 h GLU 293 N -0.10 0.82 0.09 0.00 3.07 -0.97 -2.54 114.58 114.95 2wi8 h GLU 293 Ca 0.16 -0.19 -0.31 0.00 -0.50 0.00 0.00 59.36 58.52 2wi8 h GLU 293 Cb 0.35 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2wi8 h GLU 293 CO -0.38 0.77 -1.65 0.87 -1.40 0.00 0.00 179.01 177.22 2wi8 h LYS 294 N 0.78 0.19 -0.00 2.33 1.79 -0.87 -3.40 116.57 117.39 2wi8 h LYS 294 Ca 0.17 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2wi8 h LYS 294 Cb 0.35 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2wi8 h LYS 294 CO 0.01 0.99 -0.75 1.28 -1.08 0.00 0.00 179.45 179.90 2wi8 n LEU 295 N -3.37 1.26 -4.84 2.94 4.77 0.11 -4.77 117.00 113.10 2wi8 n LEU 295 Ca -0.19 -0.59 -0.32 0.00 -0.03 0.00 0.00 56.01 54.88 2wi8 n LEU 295 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2wi8 n LEU 295 CO 0.48 0.27 0.70 0.42 -1.33 0.00 0.00 177.39 177.93 2wi8 s THR 296 N -2.64 4.31 0.32 -5.08 -4.23 -0.96 -4.60 115.64 102.75 2wi8 s THR 296 Ca 0.11 0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 61.56 2wi8 s THR 296 Cb 0.15 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.64 2wi8 s THR 296 CO 0.70 -0.79 1.98 -0.61 -0.54 0.00 0.00 174.62 175.36 2wi8 h GLN 297 N 0.20 0.99 -0.36 3.99 4.15 -1.81 0.50 115.11 122.78 2wi8 h GLN 297 Ca -0.46 -0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.01 2wi8 h GLN 297 Cb 1.20 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2wi8 h GLN 297 CO 0.60 0.65 0.27 -0.91 -1.93 0.00 0.00 178.83 177.51 2wi8 h ASN 298 N 1.02 0.00 0.00 -0.69 2.35 -1.92 -3.50 115.58 112.83 2wi8 h ASN 298 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2wi8 h ASN 298 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2wi8 h ASN 298 CO -0.07 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.00