#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv0 s ASN 4 N 0.00 5.20 0.44 4.38 0.01 -1.26 -4.99 114.94 118.73 2wv0 s ASN 4 Ca 0.00 -2.07 0.22 0.00 -0.71 0.00 0.00 52.86 50.30 2wv0 s ASN 4 Cb 0.00 -1.81 1.00 0.00 0.41 0.00 0.00 41.25 40.85 2wv0 s ASN 4 CO 0.00 -0.52 1.88 0.11 -1.51 0.00 0.00 177.10 177.06 2wv0 h LYS 5 N 7.97 0.00 -0.00 -0.60 1.57 -2.00 -2.87 116.57 120.64 2wv0 h LYS 5 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2wv0 h LYS 5 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wv0 h LYS 5 CO 0.68 0.25 -0.34 1.04 -0.57 0.00 0.00 179.45 180.51 2wv0 n GLN 6 N -3.62 0.17 -1.97 3.15 1.13 -1.26 -4.93 117.38 110.05 2wv0 n GLN 6 Ca -0.01 -0.08 -0.40 0.00 -1.94 0.00 0.00 57.00 54.57 2wv0 n GLN 6 Cb 0.38 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.23 2wv0 n GLN 6 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wv0 s SER 7 N -2.89 6.30 0.44 1.08 0.15 -1.09 -4.90 113.70 112.80 2wv0 s SER 7 Ca 0.15 2.78 0.18 0.00 0.70 0.00 0.00 55.95 59.76 2wv0 s SER 7 Cb 0.18 -2.65 1.12 0.00 -1.71 0.00 0.00 66.02 62.97 2wv0 s SER 7 CO 0.63 -0.87 1.90 -0.65 1.20 0.00 0.00 173.24 175.44 2wv0 h PRO 8 N 2.77 0.34 -6.43 5.44 0.11 -1.91 -3.42 132.00 128.90 2wv0 h PRO 8 Ca -0.50 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.05 2wv0 h PRO 8 Cb 1.25 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2wv0 h PRO 8 CO 0.63 0.22 0.93 0.42 -0.21 0.00 0.00 178.00 179.99 2wv0 s ILE 9 N -5.35 3.25 0.53 4.15 1.01 -1.26 -4.97 121.20 118.56 2wv0 s ILE 9 Ca -0.08 0.71 -0.20 0.00 0.00 0.00 0.00 60.65 61.08 2wv0 s ILE 9 Cb 0.22 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 2wv0 s ILE 9 CO 0.77 0.00 0.88 -2.65 0.00 0.00 0.00 174.94 173.95 2wv0 n PRO 10 N 5.38 0.98 0.16 2.79 -0.02 -1.26 -4.82 135.00 138.21 2wv0 n PRO 10 Ca 0.15 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 2wv0 n PRO 10 Cb 0.42 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 2wv0 n PRO 10 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wv0 h ILE 11 N 0.82 0.72 -0.50 4.25 1.08 -1.92 -1.85 117.51 120.12 2wv0 h ILE 11 Ca -0.46 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 2wv0 h ILE 11 Cb 1.36 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 2wv0 h ILE 11 CO 0.52 0.00 0.34 0.10 -0.69 0.00 0.00 178.15 178.42 2wv0 h TYR 12 N -0.35 0.36 -0.17 1.37 -0.00 -1.92 -1.17 116.97 115.09 2wv0 h TYR 12 Ca -0.03 0.01 -0.18 0.00 0.00 0.00 0.00 58.73 58.53 2wv0 h TYR 12 Cb 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 36.73 36.90 2wv0 h TYR 12 CO -0.07 0.19 -0.61 -0.92 -0.00 0.00 0.00 178.16 176.74 2wv0 h TYR 13 N 0.35 0.95 -0.55 0.10 3.20 -1.86 -1.81 116.97 117.36 2wv0 h TYR 13 Ca 0.23 -0.39 0.01 0.00 3.14 0.00 0.00 58.73 61.72 2wv0 h TYR 13 Cb 0.43 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2wv0 h TYR 13 CO -0.00 1.20 0.36 1.96 -1.64 0.00 0.00 178.16 180.04 2wv0 h GLN 14 N 0.43 0.69 -0.02 1.82 4.20 -0.41 -2.11 115.11 119.71 2wv0 h GLN 14 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2wv0 h GLN 14 Cb 1.24 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 2wv0 h GLN 14 CO 0.13 0.46 -0.01 0.82 -0.67 0.00 0.00 178.83 179.56 2wv0 h ILE 15 N 0.71 1.34 -0.48 2.54 2.04 -1.11 -2.86 117.51 119.68 2wv0 h ILE 15 Ca 0.20 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 65.15 2wv0 h ILE 15 Cb -0.04 1.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 2wv0 h ILE 15 CO -0.05 0.27 -0.05 0.24 0.00 0.00 0.00 178.15 178.56 2wv0 h MET 16 N -0.38 0.06 -0.78 2.37 2.86 -1.04 -1.60 114.93 116.43 2wv0 h MET 16 Ca 0.00 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2wv0 h MET 16 Cb 0.44 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2wv0 h MET 16 CO 0.00 0.04 0.31 0.93 1.06 0.00 0.00 176.91 179.26 2wv0 h GLU 17 N 0.07 1.16 -0.22 1.72 4.39 -1.43 -1.38 114.58 118.89 2wv0 h GLU 17 Ca 0.24 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.58 2wv0 h GLU 17 Cb 0.37 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2wv0 h GLU 17 CO -0.44 0.94 -0.49 1.96 -1.16 0.00 0.00 179.01 179.82 2wv0 h GLN 18 N 1.13 0.59 -0.06 2.33 4.20 -1.21 -1.63 115.11 120.45 2wv0 h GLN 18 Ca 0.26 -0.34 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 2wv0 h GLN 18 Cb 0.22 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2wv0 h GLN 18 CO -0.02 0.94 -0.56 -0.07 -0.67 0.00 0.00 178.83 178.45 2wv0 h LEU 19 N 0.46 0.21 -0.57 1.46 3.38 -1.14 -2.26 115.31 116.85 2wv0 h LEU 19 Ca 0.02 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2wv0 h LEU 19 Cb 1.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2wv0 h LEU 19 CO 0.09 0.73 -0.05 0.11 0.09 0.00 0.00 178.44 179.41 2wv0 h LYS 20 N 0.14 1.04 -0.67 1.13 1.57 -1.05 -1.94 116.57 116.79 2wv0 h LYS 20 Ca -0.00 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 2wv0 h LYS 20 Cb 1.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2wv0 h LYS 20 CO 0.08 1.05 0.12 1.79 -0.57 0.00 0.00 179.45 181.92 2wv0 h THR 21 N 0.93 1.26 -0.32 -0.16 1.35 -1.21 -1.45 112.91 113.31 2wv0 h THR 21 Ca 0.15 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 2wv0 h THR 21 Cb 0.62 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 2wv0 h THR 21 CO 0.04 0.39 -0.04 1.56 -0.25 0.00 0.00 175.52 177.22 2wv0 h GLN 22 N 1.03 0.51 -0.28 4.72 4.20 -1.29 0.35 115.11 124.36 2wv0 h GLN 22 Ca 0.21 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 2wv0 h GLN 22 Cb 0.43 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2wv0 h GLN 22 CO 0.01 0.57 -0.29 0.82 -0.67 0.00 0.00 178.83 179.27 2wv0 h ILE 23 N 0.49 1.30 -0.11 2.54 2.04 -1.14 0.12 117.51 122.76 2wv0 h ILE 23 Ca 0.10 -1.46 -0.09 0.00 1.00 0.00 0.00 64.86 64.41 2wv0 h ILE 23 Cb 0.38 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2wv0 h ILE 23 CO 0.02 0.47 -0.35 0.11 0.00 0.00 0.00 178.15 178.39 2wv0 h LYS 24 N 0.42 0.22 -0.11 2.37 1.57 -0.98 -3.12 116.57 116.93 2wv0 h LYS 24 Ca 0.04 -0.09 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 2wv0 h LYS 24 Cb 0.86 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.17 2wv0 h LYS 24 CO 0.07 0.55 -0.83 -0.91 -0.57 0.00 0.00 179.45 177.76 2wv0 h ASN 25 N 0.19 0.93 0.00 0.86 -0.26 -0.25 -3.48 115.58 113.57 2wv0 h ASN 25 Ca 0.02 -0.66 0.00 0.00 -0.56 0.00 0.00 56.30 55.10 2wv0 h ASN 25 Cb 0.72 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2wv0 h ASN 25 CO 0.05 1.44 0.00 0.61 -1.06 0.00 0.00 177.43 178.48 2wv0 n GLY 26 N 0.80 0.95 0.00 2.83 0.00 0.06 -4.94 105.19 104.89 2wv0 n GLY 26 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2wv0 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wv0 n GLU 27 N -1.72 0.49 -3.64 1.61 1.02 0.20 -4.34 120.64 114.25 2wv0 n GLU 27 Ca 0.00 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 2wv0 n GLU 27 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 2wv0 n GLU 27 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wv0 s LEU 28 N -2.15 -0.45 0.35 -4.62 -0.00 -0.93 -4.94 118.68 105.94 2wv0 s LEU 28 Ca 0.25 0.72 0.02 0.00 -0.00 0.00 0.00 54.13 55.12 2wv0 s LEU 28 Cb 0.12 0.98 -0.02 0.00 -0.00 0.00 0.00 46.19 47.27 2wv0 s LEU 28 CO 0.23 -0.24 0.54 -1.10 -0.00 0.00 0.00 176.35 175.77 2wv0 s GLN 29 N 2.50 3.36 0.53 1.48 1.11 -1.26 -4.45 119.66 122.92 2wv0 s GLN 29 Ca 0.01 -0.49 -0.22 0.00 0.01 0.00 0.00 55.36 54.67 2wv0 s GLN 29 Cb -0.12 -2.69 -0.06 0.00 -1.01 0.00 0.00 33.01 29.12 2wv0 s GLN 29 CO -0.11 0.10 1.17 -2.30 0.01 0.00 0.00 175.29 174.16 2wv0 n PRO 30 N -1.78 1.42 -0.69 2.91 -0.02 -1.26 -3.01 135.00 132.56 2wv0 n PRO 30 Ca -0.04 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2wv0 n PRO 30 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2wv0 n PRO 30 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wv0 n ASP 31 N -0.54 -1.69 -4.79 2.55 8.00 0.63 -4.91 116.55 115.81 2wv0 n ASP 31 Ca 0.11 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.23 2wv0 n ASP 31 Cb 0.44 -2.47 -0.06 0.00 -0.02 0.00 0.00 41.12 39.01 2wv0 n ASP 31 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wv0 s MET 32 N -1.14 4.16 0.23 -1.24 -1.94 -1.17 -4.74 119.30 113.47 2wv0 s MET 32 Ca 0.00 0.54 -0.30 0.00 -1.71 0.00 0.00 55.69 54.22 2wv0 s MET 32 Cb 0.00 -3.30 -0.10 0.00 2.01 0.00 0.00 34.83 33.44 2wv0 s MET 32 CO 0.00 0.49 1.48 -1.25 -0.01 0.00 0.00 175.02 175.73 2wv0 s PRO 33 N -0.50 4.25 0.55 2.03 0.04 -1.26 -2.75 135.00 137.36 2wv0 s PRO 33 Ca 0.27 2.33 -0.16 0.00 0.04 0.00 0.00 61.00 63.47 2wv0 s PRO 33 Cb -0.17 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 2wv0 s PRO 33 CO 0.14 -0.48 1.02 -0.48 0.04 0.00 0.00 177.00 177.25 2wv0 s LEU 34 N -0.02 3.58 0.60 -3.56 -0.00 0.12 -4.98 118.68 114.42 2wv0 s LEU 34 Ca 0.62 1.72 -0.18 0.00 -0.00 0.00 0.00 54.13 56.29 2wv0 s LEU 34 Cb -0.43 -4.52 -0.06 0.00 -0.00 0.00 0.00 46.19 41.18 2wv0 s LEU 34 CO 0.41 -0.88 0.72 -2.65 -0.00 0.00 0.00 176.35 173.95 2wv0 n PRO 35 N -1.74 0.63 -0.63 1.48 -0.02 -1.26 -4.66 135.00 128.80 2wv0 n PRO 35 Ca 0.08 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.50 2wv0 n PRO 35 Cb 0.53 -1.92 0.19 0.00 -0.02 0.00 0.00 33.50 32.28 2wv0 n PRO 35 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wv0 n SER 36 N -0.19 -0.30 -0.19 2.55 3.41 -1.26 -4.84 113.62 112.81 2wv0 n SER 36 Ca 0.13 0.28 -0.01 0.00 -0.26 0.00 0.00 58.87 59.00 2wv0 n SER 36 Cb 0.48 -1.41 0.22 0.00 -0.26 0.00 0.00 64.21 63.24 2wv0 n SER 36 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wv0 h GLU 37 N -2.07 0.93 -0.20 4.33 4.81 -1.97 -2.80 114.58 117.62 2wv0 h GLU 37 Ca -0.47 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.48 2wv0 h GLU 37 Cb 1.29 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2wv0 h GLU 37 CO 0.42 0.69 -0.58 0.00 -0.73 0.00 0.00 179.01 178.81 2wv0 h ARG 38 N 0.94 0.63 -0.09 1.92 3.08 -1.94 -2.92 114.38 115.99 2wv0 h ARG 38 Ca 0.24 -0.42 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 2wv0 h ARG 38 Cb 0.04 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2wv0 h ARG 38 CO -0.04 1.04 -0.42 1.05 -1.07 0.00 0.00 179.97 180.52 2wv0 h GLU 39 N 0.48 0.21 -0.32 0.04 9.09 -1.88 -1.65 114.58 120.55 2wv0 h GLU 39 Ca 0.00 -0.10 -0.11 0.00 0.05 0.00 0.00 59.36 59.20 2wv0 h GLU 39 Cb 1.15 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 2wv0 h GLU 39 CO 0.11 0.60 -0.24 1.88 0.05 0.00 0.00 179.01 181.42 2wv0 h TYR 40 N 0.18 0.86 0.00 2.06 0.05 -1.54 -2.14 116.97 116.43 2wv0 h TYR 40 Ca 0.01 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 2wv0 h TYR 40 Cb 0.83 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 2wv0 h TYR 40 CO 0.01 0.98 -0.02 0.00 -1.05 0.00 0.00 178.16 178.08 2wv0 h ALA 41 N 0.74 1.01 0.15 3.88 0.00 -1.30 -1.56 119.26 122.19 2wv0 h ALA 41 Ca 0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 2wv0 h ALA 41 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wv0 h ALA 41 CO 0.06 0.02 -1.58 1.05 0.00 0.00 0.00 179.25 178.81 2wv0 h GLU 42 N 0.00 0.32 -0.42 0.00 -0.00 -1.26 -2.24 114.58 110.97 2wv0 h GLU 42 Ca -0.00 -0.54 -0.04 0.00 -0.00 0.00 0.00 59.36 58.78 2wv0 h GLU 42 Cb 0.41 0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.34 2wv0 h GLU 42 CO 0.00 1.26 0.11 -0.56 -0.00 0.00 0.00 179.01 179.82 2wv0 h GLN 43 N -0.11 0.67 0.00 1.06 3.07 -1.15 -3.21 115.11 115.44 2wv0 h GLN 43 Ca -0.32 -0.16 -0.04 0.00 0.09 0.00 0.00 58.65 58.22 2wv0 h GLN 43 Cb 1.92 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 29.39 2wv0 h GLN 43 CO 0.12 0.68 -1.25 1.19 0.09 0.00 0.00 178.83 179.65 2wv0 n PHE 44 N -4.55 0.81 -2.47 0.06 3.72 -0.61 -5.01 117.46 109.42 2wv0 n PHE 44 Ca -0.00 0.24 -0.05 0.00 -0.05 0.00 0.00 57.45 57.59 2wv0 n PHE 44 Cb 0.20 -0.92 0.02 0.00 -0.94 0.00 0.00 39.48 37.85 2wv0 n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wv0 n GLY 45 N 1.24 0.31 1.21 1.37 0.00 -0.92 -4.99 105.19 103.41 2wv0 n GLY 45 Ca -0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2wv0 n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wv0 n ILE 46 N -2.14 0.00 -2.38 -0.61 5.41 -0.89 -5.04 119.36 113.71 2wv0 n ILE 46 Ca -0.06 -0.84 -0.33 0.00 1.00 0.00 0.00 62.75 62.52 2wv0 n ILE 46 Cb 0.54 0.26 -0.02 0.00 -0.71 0.00 0.00 39.64 39.71 2wv0 n ILE 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2wv0 s SER 47 N -1.91 6.25 0.32 4.38 0.15 -1.26 -4.74 113.70 116.90 2wv0 s SER 47 Ca 0.05 1.82 0.05 0.00 0.70 0.00 0.00 55.95 58.57 2wv0 s SER 47 Cb 0.00 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.33 2wv0 s SER 47 CO 0.04 -0.85 1.82 0.08 1.20 0.00 0.00 173.24 175.53 2wv0 h ARG 48 N 1.12 0.46 0.00 5.44 -0.00 -1.93 -3.15 114.38 116.33 2wv0 h ARG 48 Ca -0.48 -0.13 -0.12 0.00 -0.00 0.00 0.00 59.98 59.26 2wv0 h ARG 48 Cb 1.21 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 31.11 2wv0 h ARG 48 CO 0.59 0.58 -0.55 0.52 -0.00 0.00 0.00 179.97 181.11 2wv0 h MET 49 N 0.42 0.00 0.00 0.08 2.86 -1.95 0.22 114.93 116.56 2wv0 h MET 49 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2wv0 h MET 49 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2wv0 h MET 49 CO 0.03 0.55 -0.44 0.00 1.06 0.00 0.00 176.91 178.11 2wv0 h THR 50 N 0.00 0.85 -0.03 2.22 1.03 -1.96 -0.10 112.91 114.93 2wv0 h THR 50 Ca -0.01 -1.90 -0.24 0.00 -0.01 0.00 0.00 66.41 64.26 2wv0 h THR 50 Cb 1.04 2.20 0.02 0.00 -1.07 0.00 0.00 68.15 70.34 2wv0 h THR 50 CO 0.07 0.43 -0.90 0.58 -0.01 0.00 0.00 175.52 175.69 2wv0 h VAL 51 N 0.00 1.31 -0.12 0.00 2.07 -1.40 -2.92 116.25 115.19 2wv0 h VAL 51 Ca -0.00 -2.15 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 2wv0 h VAL 51 Cb 1.17 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 2wv0 h VAL 51 CO 0.06 0.66 -0.09 0.03 0.02 0.00 0.00 177.57 178.25 2wv0 h ARG 52 N 0.32 0.18 -0.47 1.57 -0.00 -0.50 -1.67 114.38 113.81 2wv0 h ARG 52 Ca -0.10 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.25 2wv0 h ARG 52 Cb 1.56 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.48 2wv0 h ARG 52 CO 0.18 0.28 -0.08 0.37 0.00 0.00 0.00 179.97 180.72 2wv0 h GLN 53 N 0.17 0.89 0.21 0.04 4.15 -0.99 -2.07 115.11 117.51 2wv0 h GLN 53 Ca 0.04 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.12 2wv0 h GLN 53 Cb 0.28 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2wv0 h GLN 53 CO 0.01 0.97 -0.10 0.00 -1.93 0.00 0.00 178.83 177.78 2wv0 h ALA 54 N 0.89 -0.29 0.28 3.38 0.00 -1.29 -2.63 119.26 119.60 2wv0 h ALA 54 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wv0 h ALA 54 Cb 0.62 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wv0 h ALA 54 CO 0.04 -0.44 -0.23 -0.07 0.00 0.00 0.00 179.25 178.55 2wv0 h LEU 55 N -0.73 -0.60 -1.18 0.00 4.07 -1.38 -0.71 115.31 114.78 2wv0 h LEU 55 Ca -0.03 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.02 2wv0 h LEU 55 Cb 0.50 0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.38 2wv0 h LEU 55 CO 0.05 -0.35 0.57 0.28 -1.08 0.00 0.00 178.44 177.91 2wv0 h SER 56 N -0.52 0.91 -0.72 -0.43 0.02 -1.50 0.40 113.55 111.70 2wv0 h SER 56 Ca -0.02 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2wv0 h SER 56 Cb 0.47 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2wv0 h SER 56 CO -0.02 0.61 0.47 0.78 -1.14 0.00 0.00 176.83 177.53 2wv0 h ASN 57 N 1.05 0.81 0.19 3.07 4.21 -1.15 -2.10 115.58 121.65 2wv0 h ASN 57 Ca 0.35 -0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.71 2wv0 h ASN 57 Cb 0.08 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 2wv0 h ASN 57 CO -0.11 0.58 -0.49 -0.07 -1.29 0.00 0.00 177.43 176.04 2wv0 h LEU 58 N 0.95 0.38 0.76 1.61 3.38 0.25 -2.59 115.31 120.06 2wv0 h LEU 58 Ca 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2wv0 h LEU 58 Cb -0.08 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wv0 h LEU 58 CO -0.07 0.82 -0.37 0.58 0.09 0.00 0.00 178.44 179.49 2wv0 h VAL 59 N 0.28 0.00 0.00 1.22 2.07 0.17 -1.10 116.25 118.90 2wv0 h VAL 59 Ca 0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2wv0 h VAL 59 Cb 0.97 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wv0 h VAL 59 CO 0.08 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.21 2wv0 n ASN 60 N -4.75 0.00 0.10 0.57 2.04 -0.83 -0.90 115.26 111.48 2wv0 n ASN 60 Ca -0.13 0.35 0.12 0.00 -0.44 0.00 0.00 54.58 54.48 2wv0 n ASN 60 Cb 0.40 -0.43 0.45 0.00 -2.53 0.00 0.00 39.78 37.67 2wv0 n ASN 60 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2wv0 n GLU 61 N -1.43 0.19 -0.32 -3.83 2.13 -0.98 -4.91 120.64 111.49 2wv0 n GLU 61 Ca 0.06 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2wv0 n GLU 61 Cb 0.20 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2wv0 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wv0 n GLY 62 N 0.64 0.71 0.13 8.31 0.00 -0.08 -4.95 105.19 109.95 2wv0 n GLY 62 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2wv0 n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wv0 h LEU 63 N 0.00 0.58 0.00 0.99 -0.00 -1.36 -3.44 115.31 112.08 2wv0 h LEU 63 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 2wv0 h LEU 63 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 2wv0 h LEU 63 CO 0.00 1.41 0.00 0.18 -0.00 0.00 0.00 178.44 180.03 2wv0 n LEU 64 N -3.65 0.00 0.00 1.67 4.32 -0.83 -2.03 117.00 116.48 2wv0 n LEU 64 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2wv0 n LEU 64 Cb 0.99 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.79 2wv0 n LEU 64 CO 0.55 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 2wv0 n GLY 71 N 2.47 0.00 3.23 -0.72 0.00 -1.26 -4.33 105.19 104.58 2wv0 n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wv0 n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wv0 s THR 72 N 0.00 1.90 0.18 2.61 -1.32 -1.26 -5.05 115.64 112.69 2wv0 s THR 72 Ca 0.00 -0.97 0.11 0.00 -1.21 0.00 0.00 61.69 59.62 2wv0 s THR 72 Cb 0.00 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 2wv0 s THR 72 CO 0.00 0.53 -0.23 -0.36 -2.21 0.00 0.00 174.62 172.35 2wv0 s PHE 73 N -0.02 2.35 -0.04 9.09 0.08 -1.26 0.12 117.98 128.31 2wv0 s PHE 73 Ca -0.06 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.34 2wv0 s PHE 73 Cb -0.14 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 2wv0 s PHE 73 CO 0.04 0.46 1.13 0.08 -0.10 0.00 0.00 175.22 176.83 2wv0 s VAL 74 N -1.53 4.42 -0.02 -0.44 1.01 -1.11 -4.36 120.40 118.37 2wv0 s VAL 74 Ca 0.20 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 2wv0 s VAL 74 Cb -0.09 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2wv0 s VAL 74 CO 0.10 0.04 0.95 -0.44 0.00 0.00 0.00 175.10 175.75 2wv0 s SER 75 N 1.25 7.30 -0.06 3.32 0.01 -0.86 -0.27 113.70 124.40 2wv0 s SER 75 Ca 0.54 1.58 -0.30 0.00 1.31 0.00 0.00 55.95 59.08 2wv0 s SER 75 Cb -0.24 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 2wv0 s SER 75 CO 0.23 -0.26 1.46 -1.59 0.41 0.00 0.00 173.24 173.49 2wv0 s LYS 76 N 1.11 4.23 0.17 12.44 -2.85 -1.26 -4.83 119.74 128.75 2wv0 s LYS 76 Ca 0.50 1.98 -0.30 0.00 -1.00 0.00 0.00 55.97 57.14 2wv0 s LYS 76 Cb -0.20 -3.76 -0.08 0.00 -2.06 0.00 0.00 37.83 31.73 2wv0 s LYS 76 CO 0.25 -0.70 1.21 -1.25 0.10 0.00 0.00 175.35 174.96 2wv0 s PRO 77 N 3.23 4.48 -0.18 1.78 0.04 -1.26 -4.97 135.00 138.12 2wv0 s PRO 77 Ca 0.65 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2wv0 s PRO 77 Cb -0.30 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 2wv0 s PRO 77 CO 0.25 -0.12 1.27 -1.59 0.04 0.00 0.00 177.00 176.84 2wv0 s LYS 78 N -0.02 4.19 -0.01 4.56 0.00 -1.26 -4.89 119.74 122.31 2wv0 s LYS 78 Ca 0.54 1.62 0.09 0.00 0.00 0.00 0.00 55.97 58.21 2wv0 s LYS 78 Cb -0.32 -3.78 -0.12 0.00 0.00 0.00 0.00 37.83 33.60 2wv0 s LYS 78 CO 0.35 -0.76 0.24 -1.33 0.00 0.00 0.00 175.35 173.86 2wv0 n MET 79 N 6.70 1.59 -0.15 1.78 2.81 -1.26 -4.75 117.12 123.84 2wv0 n MET 79 Ca 0.14 -0.05 -0.03 0.00 -1.81 0.00 0.00 57.70 55.95 2wv0 n MET 79 Cb 0.45 -1.10 0.04 0.00 -0.71 0.00 0.00 33.22 31.90 2wv0 n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2wv0 h GLU 80 N 0.00 0.07 -0.23 0.03 5.08 -1.98 0.13 114.58 117.69 2wv0 h GLU 80 Ca 0.00 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2wv0 h GLU 80 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wv0 h GLU 80 CO 0.00 0.05 -0.33 0.37 -1.00 0.00 0.00 179.01 178.10 2wv0 h GLN 81 N 0.08 0.48 -0.03 2.33 5.75 -1.94 0.10 115.11 121.89 2wv0 h GLN 81 Ca 0.23 -0.21 -0.18 0.00 -0.15 0.00 0.00 58.65 58.35 2wv0 h GLN 81 Cb 0.35 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2wv0 h GLN 81 CO -0.42 0.76 -0.76 0.00 -2.65 0.00 0.00 178.83 175.76 2wv0 h ALA 82 N 1.23 0.65 0.00 3.38 0.00 -1.55 -1.74 119.26 121.23 2wv0 h ALA 82 Ca 0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 54.91 54.09 2wv0 h ALA 82 Cb 0.78 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2wv0 h ALA 82 CO 0.06 0.83 -2.13 1.28 0.00 0.00 0.00 179.25 179.29 2wv0 n LEU 83 N -3.76 0.00 0.00 0.00 4.77 0.34 -4.65 117.00 113.70 2wv0 n LEU 83 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2wv0 n LEU 83 Cb 0.72 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 2wv0 n LEU 83 CO 0.46 0.30 -0.07 0.00 -1.33 0.00 0.00 177.39 176.75 2wv0 n GLN 84 N -2.51 5.37 0.00 3.23 6.02 0.35 -1.01 117.38 128.82 2wv0 n GLN 84 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 2wv0 n GLN 84 Cb 0.90 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.63 2wv0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wv0 n GLY 85 N 1.13 2.03 3.16 1.08 0.00 -0.73 -4.97 105.19 106.89 2wv0 n GLY 85 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2wv0 n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wv0 s LEU 86 N 0.00 -0.24 0.11 0.99 2.96 -0.77 -4.88 118.68 116.85 2wv0 s LEU 86 Ca 0.00 0.77 0.10 0.00 -0.22 0.00 0.00 54.13 54.79 2wv0 s LEU 86 Cb 0.00 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.71 2wv0 s LEU 86 CO 0.00 -0.21 -0.26 0.42 -1.32 0.00 0.00 176.35 174.97 2wv0 s THR 87 N 2.04 2.19 0.99 3.68 -4.23 -1.26 -4.89 115.64 114.15 2wv0 s THR 87 Ca -0.04 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2wv0 s THR 87 Cb -0.11 -1.93 0.18 0.00 1.34 0.00 0.00 72.50 71.99 2wv0 s THR 87 CO -0.11 0.12 1.16 -0.94 -0.54 0.00 0.00 174.62 174.31 2wv0 s SER 88 N -1.91 2.82 0.35 3.99 1.04 -1.26 -4.82 113.70 113.91 2wv0 s SER 88 Ca 0.13 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.40 2wv0 s SER 88 Cb -0.10 -1.21 0.65 0.00 0.10 0.00 0.00 66.02 65.46 2wv0 s SER 88 CO 0.05 -2.96 1.92 0.15 0.98 0.00 0.00 173.24 173.38 2wv0 h PHE 89 N -1.79 0.56 0.07 5.02 3.04 -2.00 0.79 116.94 122.62 2wv0 h PHE 89 Ca -0.49 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.42 2wv0 h PHE 89 Cb 1.31 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.65 2wv0 h PHE 89 CO -0.47 0.49 -0.03 1.15 -2.02 0.00 0.00 178.31 177.43 2wv0 h THR 90 N 0.54 1.00 -0.26 4.41 2.02 -1.97 0.73 112.91 119.38 2wv0 h THR 90 Ca 0.13 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 2wv0 h THR 90 Cb 0.22 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2wv0 h THR 90 CO -0.00 0.05 -0.35 -0.33 0.37 0.00 0.00 175.52 175.26 2wv0 h GLU 91 N -0.18 0.56 0.34 6.66 5.08 -1.90 -2.61 114.58 122.53 2wv0 h GLU 91 Ca -0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2wv0 h GLU 91 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2wv0 h GLU 91 CO 0.01 0.83 -0.23 0.22 -1.00 0.00 0.00 179.01 178.85 2wv0 h ASP 92 N 0.47 -0.58 -0.37 1.42 3.58 -0.59 -1.93 116.42 118.42 2wv0 h ASP 92 Ca 0.05 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2wv0 h ASP 92 Cb 0.83 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2wv0 h ASP 92 CO 0.07 -0.36 0.17 0.24 -2.88 0.00 0.00 179.24 176.48 2wv0 h MET 93 N -0.55 0.59 -0.15 0.28 2.86 -0.82 -2.59 114.93 114.55 2wv0 h MET 93 Ca -0.03 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 2wv0 h MET 93 Cb 0.47 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2wv0 h MET 93 CO 0.02 0.49 -0.43 0.87 1.06 0.00 0.00 176.91 178.92 2wv0 h LYS 94 N 0.59 0.35 0.00 1.72 1.57 -1.27 0.42 116.57 119.95 2wv0 h LYS 94 Ca 0.15 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wv0 h LYS 94 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wv0 h LYS 94 CO -0.01 0.72 0.00 0.66 -0.57 0.00 0.00 179.45 180.25 2wv0 h SER 95 N 0.29 0.00 -0.55 0.86 4.64 -0.94 -1.13 113.55 116.72 2wv0 h SER 95 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2wv0 h SER 95 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2wv0 h SER 95 CO 0.07 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 2wv0 n ARG 96 N -2.66 2.50 -2.53 4.77 1.74 -0.97 -4.92 116.66 114.59 2wv0 n ARG 96 Ca 0.01 -2.31 -0.15 0.00 -0.77 0.00 0.00 57.85 54.63 2wv0 n ARG 96 Cb 0.26 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 2wv0 n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wv0 n GLY 97 N 1.53 -0.19 3.38 -0.13 0.00 -0.43 -5.03 105.19 104.33 2wv0 n GLY 97 Ca 0.21 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wv0 n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wv0 s MET 98 N -5.04 1.74 -0.36 1.61 -1.94 0.10 -5.00 119.30 110.41 2wv0 s MET 98 Ca 0.11 -1.15 -0.27 0.00 -1.71 0.00 0.00 55.69 52.66 2wv0 s MET 98 Cb -0.05 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.81 2wv0 s MET 98 CO 0.13 0.50 0.98 0.99 -0.01 0.00 0.00 175.02 177.62 2wv0 s THR 99 N -0.90 4.53 0.40 2.05 2.01 -1.26 -3.40 115.64 119.07 2wv0 s THR 99 Ca 0.13 1.36 -0.24 0.00 0.31 0.00 0.00 61.69 63.25 2wv0 s THR 99 Cb -0.10 -4.38 -0.09 0.00 0.01 0.00 0.00 72.50 67.94 2wv0 s THR 99 CO 0.04 -0.55 1.01 -2.16 -0.69 0.00 0.00 174.62 172.27 2wv0 s PRO 100 N 3.60 4.23 0.24 4.92 0.04 -1.26 -0.43 135.00 146.33 2wv0 s PRO 100 Ca 0.41 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 2wv0 s PRO 100 Cb -0.12 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.94 2wv0 s PRO 100 CO 0.19 -0.06 0.57 0.20 0.04 0.00 0.00 177.00 177.94 2wv0 s GLY 101 N -1.71 0.08 0.05 0.56 0.00 0.03 -4.94 107.32 101.39 2wv0 s GLY 101 Ca 0.58 -0.42 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 2wv0 s GLY 101 CO 0.24 -0.30 0.09 -0.56 0.00 0.00 0.00 173.10 172.56 2wv0 s SER 102 N -2.93 0.23 -0.04 1.64 0.01 -1.26 0.36 113.70 111.71 2wv0 s SER 102 Ca 0.13 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2wv0 s SER 102 Cb -0.02 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.48 2wv0 s SER 102 CO 0.03 -0.57 0.06 -0.60 0.41 0.00 0.00 173.24 172.58 2wv0 s ARG 103 N -3.09 -0.07 -0.08 12.44 3.52 -0.74 -4.81 118.95 126.13 2wv0 s ARG 103 Ca -0.01 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.66 2wv0 s ARG 103 Cb 0.02 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 2wv0 s ARG 103 CO -0.07 -0.31 1.24 -1.17 -0.81 0.00 0.00 175.30 174.18 2wv0 s LEU 104 N 2.04 4.26 -0.16 -0.88 1.98 -1.26 -0.81 118.68 123.84 2wv0 s LEU 104 Ca 0.03 1.82 -0.21 0.00 -2.89 0.00 0.00 54.13 52.87 2wv0 s LEU 104 Cb -0.12 -3.55 -0.23 0.00 0.66 0.00 0.00 46.19 42.94 2wv0 s LEU 104 CO -0.03 -0.64 0.46 0.40 -1.89 0.00 0.00 176.35 174.65 2wv0 h ILE 105 N 5.12 1.16 -2.23 6.68 2.04 -0.90 -3.48 117.51 125.91 2wv0 h ILE 105 Ca -0.33 -2.29 -0.05 0.00 1.00 0.00 0.00 64.86 63.19 2wv0 h ILE 105 Cb 1.15 2.67 -0.22 0.00 -0.74 0.00 0.00 36.82 39.67 2wv0 h ILE 105 CO 0.90 0.52 -0.02 -0.62 0.00 0.00 0.00 178.15 178.93 2wv0 s ASP 106 N -6.76 -0.70 -0.06 1.72 2.15 -0.94 -5.01 116.67 107.06 2wv0 s ASP 106 Ca -0.23 1.27 0.05 0.00 0.43 0.00 0.00 52.55 54.07 2wv0 s ASP 106 Cb 0.03 1.24 -0.01 0.00 -0.30 0.00 0.00 42.92 43.89 2wv0 s ASP 106 CO 0.67 -0.22 -0.21 -0.47 -0.17 0.00 0.00 175.17 174.77 2wv0 s TYR 107 N 0.74 2.15 -0.03 -5.34 6.14 -1.26 -0.99 117.35 118.76 2wv0 s TYR 107 Ca -0.03 -0.68 -0.02 0.00 0.64 0.00 0.00 57.07 56.98 2wv0 s TYR 107 Cb -0.05 -1.43 0.02 0.00 0.42 0.00 0.00 41.96 40.92 2wv0 s TYR 107 CO -0.05 -0.23 0.08 -0.65 0.64 0.00 0.00 175.55 175.33 2wv0 s GLN 108 N 0.02 0.06 -0.42 4.97 -0.21 -0.65 -5.02 119.66 118.40 2wv0 s GLN 108 Ca -0.06 0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.34 2wv0 s GLN 108 Cb -0.14 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.84 2wv0 s GLN 108 CO 0.04 -0.07 0.31 -1.17 -2.12 0.00 0.00 175.29 172.27 2wv0 s LEU 109 N 0.48 5.17 0.29 2.90 2.96 -1.26 -0.38 118.68 128.84 2wv0 s LEU 109 Ca -0.04 -0.98 0.09 0.00 -0.22 0.00 0.00 54.13 52.99 2wv0 s LEU 109 Cb -0.05 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2wv0 s LEU 109 CO -0.02 -0.48 0.07 0.27 -1.32 0.00 0.00 176.35 174.87 2wv0 s ILE 110 N 1.67 3.46 0.36 6.68 -4.36 -0.55 -4.88 121.20 123.58 2wv0 s ILE 110 Ca 0.05 -1.77 -0.26 0.00 -0.26 0.00 0.00 60.65 58.40 2wv0 s ILE 110 Cb -0.20 -2.97 -0.09 0.00 1.25 0.00 0.00 42.46 40.46 2wv0 s ILE 110 CO 0.09 -0.31 1.11 -1.81 0.24 0.00 0.00 174.94 174.26 2wv0 s ASP 111 N -3.75 6.85 0.55 4.36 1.01 -1.26 -0.70 116.67 123.72 2wv0 s ASP 111 Ca 0.34 2.22 -0.19 0.00 0.71 0.00 0.00 52.55 55.62 2wv0 s ASP 111 Cb -0.05 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 2wv0 s ASP 111 CO 0.21 -0.44 1.15 -0.94 0.21 0.00 0.00 175.17 175.37 2wv0 s SER 112 N -1.19 5.61 0.36 0.27 1.04 0.80 -4.82 113.70 115.76 2wv0 s SER 112 Ca 0.53 2.24 0.09 0.00 0.48 0.00 0.00 55.95 59.29 2wv0 s SER 112 Cb -0.28 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.18 2wv0 s SER 112 CO 0.36 -1.30 -0.04 0.42 0.98 0.00 0.00 173.24 173.66 2wv0 s THR 113 N -1.71 2.25 0.06 2.02 -4.23 -1.26 -4.80 115.64 107.98 2wv0 s THR 113 Ca 0.73 -2.09 -0.23 0.00 -1.18 0.00 0.00 61.69 58.92 2wv0 s THR 113 Cb -0.26 -2.77 -0.15 0.00 1.34 0.00 0.00 72.50 70.66 2wv0 s THR 113 CO 0.29 -0.14 1.58 1.05 -0.54 0.00 0.00 174.62 176.86 2wv0 h GLU 114 N 1.90 0.09 -0.39 3.99 9.09 -1.98 0.15 114.58 127.43 2wv0 h GLU 114 Ca -0.43 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 58.90 2wv0 h GLU 114 Cb 1.25 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 2wv0 h GLU 114 CO 0.72 0.24 -0.05 1.05 0.05 0.00 0.00 179.01 181.02 2wv0 h GLU 115 N -0.08 0.64 -0.16 1.06 9.09 -1.98 -0.70 114.58 122.45 2wv0 h GLU 115 Ca 0.02 -0.17 -0.19 0.00 0.05 0.00 0.00 59.36 59.06 2wv0 h GLU 115 Cb 0.19 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 27.22 2wv0 h GLU 115 CO -0.00 0.70 -0.66 1.25 0.05 0.00 0.00 179.01 180.35 2wv0 h LEU 116 N 0.60 0.86 -0.70 3.06 5.85 -1.94 -1.07 115.31 121.97 2wv0 h LEU 116 Ca 0.12 -0.61 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 2wv0 h LEU 116 Cb 0.45 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2wv0 h LEU 116 CO 0.02 1.33 0.18 0.00 -0.34 0.00 0.00 178.44 179.63 2wv0 h ALA 117 N 0.55 0.93 -0.08 1.25 0.00 -0.60 -0.84 119.26 120.47 2wv0 h ALA 117 Ca -0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2wv0 h ALA 117 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2wv0 h ALA 117 CO 0.14 0.65 -0.52 0.00 0.00 0.00 0.00 179.25 179.51 2wv0 h ALA 118 N 1.09 0.97 -0.07 0.00 0.00 -1.09 0.94 119.26 121.10 2wv0 h ALA 118 Ca 0.22 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 2wv0 h ALA 118 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wv0 h ALA 118 CO 0.00 0.67 -0.80 -0.84 0.00 0.00 0.00 179.25 178.28 2wv0 h ILE 119 N 0.18 1.36 0.00 0.00 3.07 -1.06 -3.29 117.51 117.76 2wv0 h ILE 119 Ca 0.00 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.23 2wv0 h ILE 119 Cb 0.98 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.70 2wv0 h ILE 119 CO 0.08 0.66 -0.85 0.18 -1.05 0.00 0.00 178.15 177.17 2wv0 n LEU 120 N -3.83 0.64 0.00 0.16 4.77 -0.33 -4.96 117.00 113.45 2wv0 n LEU 120 Ca -0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2wv0 n LEU 120 Cb 0.75 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2wv0 n LEU 120 CO 0.50 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2wv0 n GLY 121 N 1.42 0.16 3.21 -0.72 0.00 0.32 -4.28 105.19 105.31 2wv0 n GLY 121 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2wv0 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv0 s GLY 123 N -5.41 2.65 -0.19 0.00 0.00 -1.26 -4.78 107.32 98.33 2wv0 s GLY 123 Ca 0.63 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 2wv0 s GLY 123 CO 0.44 1.02 -0.10 -1.58 0.00 0.00 0.00 173.10 172.88 2wv0 s HIS 124 N 0.28 2.88 0.39 1.90 2.46 -1.26 -3.50 115.29 118.44 2wv0 s HIS 124 Ca 0.35 -1.00 -0.05 0.00 0.47 0.00 0.00 55.06 54.84 2wv0 s HIS 124 Cb -0.18 -1.99 -0.04 0.00 -0.13 0.00 0.00 32.58 30.23 2wv0 s HIS 124 CO 0.19 -0.51 0.67 -1.25 -2.47 0.00 0.00 174.74 171.37 2wv0 s PRO 125 N 1.12 3.58 0.09 2.88 0.04 -1.26 -5.17 135.00 136.28 2wv0 s PRO 125 Ca 0.01 0.07 -0.17 0.00 0.04 0.00 0.00 61.00 60.94 2wv0 s PRO 125 Cb -0.14 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 31.95 2wv0 s PRO 125 CO -0.03 0.00 0.81 -1.13 0.04 0.00 0.00 177.00 176.69 2wv0 n SER 126 N -1.69 -1.14 -4.87 6.66 3.41 -1.23 -4.99 113.62 109.76 2wv0 n SER 126 Ca -0.01 -1.51 -0.32 0.00 -0.26 0.00 0.00 58.87 56.77 2wv0 n SER 126 Cb 0.55 1.84 -0.05 0.00 -0.26 0.00 0.00 64.21 66.29 2wv0 n SER 126 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2wv0 s SER 127 N -2.87 6.14 -0.03 4.04 0.01 -1.26 -0.14 113.70 119.58 2wv0 s SER 127 Ca 0.18 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.68 2wv0 s SER 127 Cb -0.02 -1.85 0.02 0.00 0.21 0.00 0.00 66.02 64.39 2wv0 s SER 127 CO 0.03 0.21 -0.02 -0.63 0.41 0.00 0.00 173.24 173.24 2wv0 s ILE 128 N -1.40 0.28 0.10 1.44 1.01 0.12 -2.36 121.20 120.39 2wv0 s ILE 128 Ca 0.31 -0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.64 2wv0 s ILE 128 Cb -0.13 -0.34 -0.08 0.00 0.01 0.00 0.00 42.46 41.92 2wv0 s ILE 128 CO 0.23 0.16 1.49 -1.00 0.00 0.00 0.00 174.94 175.82 2wv0 s HIS 129 N 0.83 2.97 -0.34 3.97 3.76 0.13 -1.48 115.29 125.12 2wv0 s HIS 129 Ca -0.09 0.71 0.03 0.00 -0.15 0.00 0.00 55.06 55.57 2wv0 s HIS 129 Cb -0.12 -3.80 0.10 0.00 1.11 0.00 0.00 32.58 29.86 2wv0 s HIS 129 CO -0.01 -2.98 0.06 0.21 -0.85 0.00 0.00 174.74 171.17 2wv0 s LYS 130 N 1.63 1.41 -0.28 1.40 2.20 0.49 -1.17 119.74 125.42 2wv0 s LYS 130 Ca 0.68 -1.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.45 2wv0 s LYS 130 Cb -0.38 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2wv0 s LYS 130 CO 0.30 -0.95 0.00 0.42 -0.36 0.00 0.00 175.35 174.76 2wv0 s ILE 131 N 0.95 3.26 -0.30 5.43 1.01 -0.59 -1.63 121.20 129.34 2wv0 s ILE 131 Ca 0.11 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 2wv0 s ILE 131 Cb -0.19 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2wv0 s ILE 131 CO -0.10 0.08 0.08 -0.89 0.00 0.00 0.00 174.94 174.12 2wv0 s THR 132 N 1.37 3.97 0.12 2.92 2.01 -0.16 -1.11 115.64 124.75 2wv0 s THR 132 Ca -0.00 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.37 2wv0 s THR 132 Cb -0.18 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2wv0 s THR 132 CO -0.01 0.07 -0.22 -0.13 -0.69 0.00 0.00 174.62 173.63 2wv0 s ARG 133 N 1.50 1.21 -0.22 4.92 0.52 -0.37 -0.15 118.95 126.35 2wv0 s ARG 133 Ca 0.02 -1.24 -0.27 0.00 -0.52 0.00 0.00 55.73 53.72 2wv0 s ARG 133 Cb -0.17 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 33.80 2wv0 s ARG 133 CO 0.02 0.34 0.94 0.08 0.02 0.00 0.00 175.30 176.71 2wv0 s VAL 134 N -1.28 4.76 -0.05 3.52 1.01 0.01 0.00 120.40 128.37 2wv0 s VAL 134 Ca 0.10 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.69 2wv0 s VAL 134 Cb -0.09 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2wv0 s VAL 134 CO 0.05 -0.11 0.62 -0.13 0.00 0.00 0.00 175.10 175.53 2wv0 s ARG 135 N 2.92 4.38 0.02 2.72 1.81 0.45 -1.79 118.95 129.47 2wv0 s ARG 135 Ca 0.40 0.75 0.07 0.00 -1.72 0.00 0.00 55.73 55.23 2wv0 s ARG 135 Cb -0.15 -3.41 -0.03 0.00 -0.45 0.00 0.00 34.95 30.91 2wv0 s ARG 135 CO 0.08 0.19 -0.19 -0.51 -0.68 0.00 0.00 175.30 174.19 2wv0 s LEU 136 N 0.42 2.55 -0.07 2.53 2.01 0.16 -0.09 118.68 126.18 2wv0 s LEU 136 Ca 0.33 -0.41 -0.00 0.00 0.01 0.00 0.00 54.13 54.06 2wv0 s LEU 136 Cb -0.17 -1.49 0.02 0.00 0.01 0.00 0.00 46.19 44.56 2wv0 s LEU 136 CO 0.16 0.27 -0.04 0.00 1.01 0.00 0.00 176.35 177.75 2wv0 s ALA 137 N -0.86 0.90 -1.42 4.21 0.00 -0.25 -0.79 121.76 123.54 2wv0 s ALA 137 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 2wv0 s ALA 137 Cb -0.10 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.38 2wv0 s ALA 137 CO 0.04 -0.27 0.87 0.09 0.00 0.00 0.00 175.76 176.49 2wv0 n ASN 138 N 4.66 -3.25 -2.21 0.00 3.02 0.42 -2.54 115.26 115.36 2wv0 n ASN 138 Ca -0.15 -0.79 -0.20 0.00 -0.03 0.00 0.00 54.58 53.41 2wv0 n ASN 138 Cb 0.50 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 2wv0 n ASN 138 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wv0 n ASP 139 N -2.94 -5.69 -3.96 6.41 8.00 -1.26 -4.99 116.55 112.11 2wv0 n ASP 139 Ca -0.11 0.12 -0.20 0.00 0.71 0.00 0.00 54.79 55.31 2wv0 n ASP 139 Cb 0.60 -4.81 -0.16 0.00 -0.02 0.00 0.00 41.12 36.73 2wv0 n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wv0 s ILE 140 N -2.95 0.67 0.14 0.53 1.01 -1.05 -5.11 121.20 114.44 2wv0 s ILE 140 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 60.65 60.04 2wv0 s ILE 140 Cb 0.00 -0.63 -0.15 0.00 0.01 0.00 0.00 42.46 41.69 2wv0 s ILE 140 CO 0.00 0.23 1.44 -2.65 0.00 0.00 0.00 174.94 173.96 2wv0 n PRO 141 N 3.54 1.69 -0.03 2.79 -0.02 -1.26 -1.09 135.00 140.61 2wv0 n PRO 141 Ca -0.21 0.61 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 2wv0 n PRO 141 Cb 0.53 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2wv0 n PRO 141 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2wv0 n MET 142 N 2.84 0.33 -3.84 -0.52 1.56 0.87 -4.81 117.12 113.54 2wv0 n MET 142 Ca 0.17 0.04 -0.11 0.00 -0.27 0.00 0.00 57.70 57.53 2wv0 n MET 142 Cb 0.25 -1.14 -0.09 0.00 2.15 0.00 0.00 33.22 34.39 2wv0 n MET 142 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wv0 s ALA 143 N -2.14 -0.40 -0.17 -5.12 0.00 -0.90 -1.43 121.76 111.61 2wv0 s ALA 143 Ca -0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2wv0 s ALA 143 Cb 0.02 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2wv0 s ALA 143 CO 0.17 -0.34 0.03 0.42 0.00 0.00 0.00 175.76 176.03 2wv0 s ILE 144 N -2.34 4.47 -0.13 0.00 1.01 -0.49 -0.41 121.20 123.30 2wv0 s ILE 144 Ca -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2wv0 s ILE 144 Cb -0.02 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2wv0 s ILE 144 CO -0.03 0.48 -0.17 -0.70 0.00 0.00 0.00 174.94 174.52 2wv0 s GLU 145 N 0.33 2.50 -0.26 2.79 2.12 0.10 -1.32 118.70 124.95 2wv0 s GLU 145 Ca 0.01 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 2wv0 s GLU 145 Cb -0.13 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.14 2wv0 s GLU 145 CO 0.01 -0.10 0.03 0.45 -0.54 0.00 0.00 175.26 175.11 2wv0 s SER 146 N 1.08 4.82 -0.08 -1.70 0.15 0.83 -1.24 113.70 117.56 2wv0 s SER 146 Ca -0.03 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.05 2wv0 s SER 146 Cb -0.14 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 2wv0 s SER 146 CO -0.05 -0.12 -0.18 -0.55 1.20 0.00 0.00 173.24 173.54 2wv0 s SER 147 N 1.48 2.41 -0.19 5.45 0.15 -0.26 -0.61 113.70 122.12 2wv0 s SER 147 Ca 0.03 -0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 2wv0 s SER 147 Cb -0.16 -1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 2wv0 s SER 147 CO 0.00 0.09 0.08 -1.00 1.20 0.00 0.00 173.24 173.61 2wv0 s HIS 148 N 0.52 3.28 -0.08 3.44 3.76 0.50 -1.54 115.29 125.18 2wv0 s HIS 148 Ca -0.16 0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2wv0 s HIS 148 Cb -0.17 -2.10 0.04 0.00 1.11 0.00 0.00 32.58 31.46 2wv0 s HIS 148 CO 0.06 0.16 0.08 0.42 -0.85 0.00 0.00 174.74 174.61 2wv0 s ILE 149 N 0.42 -0.12 0.17 0.60 1.01 -0.31 -2.04 121.20 120.92 2wv0 s ILE 149 Ca 0.04 0.25 -0.34 0.00 0.00 0.00 0.00 60.65 60.60 2wv0 s ILE 149 Cb -0.12 -0.29 -0.14 0.00 0.01 0.00 0.00 42.46 41.92 2wv0 s ILE 149 CO -0.00 0.04 1.46 -2.65 0.00 0.00 0.00 174.94 173.79 2wv0 n PRO 150 N 5.30 1.86 -0.30 2.79 -0.02 -1.26 0.20 135.00 143.56 2wv0 n PRO 150 Ca -0.04 0.67 -0.01 0.00 -2.02 0.00 0.00 63.50 62.09 2wv0 n PRO 150 Cb 0.50 -2.37 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 2wv0 n PRO 150 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wv0 h PHE 151 N 5.07 1.00 -0.06 6.00 -0.00 -1.83 -1.58 116.94 125.54 2wv0 h PHE 151 Ca -0.45 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 57.56 2wv0 h PHE 151 Cb 1.28 -0.33 -0.00 0.00 -0.00 0.00 0.00 35.95 36.90 2wv0 h PHE 151 CO 0.60 0.56 0.08 1.49 -0.00 0.00 0.00 178.31 181.04 2wv0 h GLU 152 N 1.03 0.00 -0.02 1.11 4.57 -1.89 0.27 114.58 119.65 2wv0 h GLU 152 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2wv0 h GLU 152 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2wv0 h GLU 152 CO -0.12 0.00 -0.10 1.28 -1.18 0.00 0.00 179.01 178.89 2wv0 n LEU 153 N -3.65 2.03 0.00 1.64 4.32 -0.60 -4.50 117.00 116.24 2wv0 n LEU 153 Ca -0.02 -0.68 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 2wv0 n LEU 153 Cb 0.17 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2wv0 n LEU 153 CO 0.25 0.35 -0.14 0.00 -1.22 0.00 0.00 177.39 176.63 2wv0 n ALA 154 N 0.45 1.35 -0.34 -1.18 0.00 -0.85 -4.74 120.51 115.20 2wv0 n ALA 154 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2wv0 n ALA 154 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wv0 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wv0 n GLY 155 N 1.28 -1.63 3.73 0.00 0.00 0.03 -4.81 105.19 103.79 2wv0 n GLY 155 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2wv0 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wv0 s GLU 156 N 0.00 4.31 0.08 1.61 2.02 -1.26 -4.98 118.70 120.48 2wv0 s GLU 156 Ca 0.00 2.19 0.08 0.00 0.02 0.00 0.00 54.97 57.27 2wv0 s GLU 156 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2wv0 s GLU 156 CO 0.00 -0.40 -0.19 -0.51 0.02 0.00 0.00 175.26 174.18 2wv0 s LEU 157 N 0.20 2.62 0.00 1.80 1.02 -1.26 -5.10 118.68 117.95 2wv0 s LEU 157 Ca 0.61 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.24 2wv0 s LEU 157 Cb -0.40 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.31 2wv0 s LEU 157 CO 0.38 0.21 0.00 -0.46 0.02 0.00 0.00 176.35 176.50 2wv0 n ASN 158 N 1.14 0.42 -0.06 2.29 0.23 -1.26 -5.05 115.26 112.96 2wv0 n ASN 158 Ca -0.16 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 53.86 2wv0 n ASN 158 Cb 0.52 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.42 2wv0 n ASN 158 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2wv0 h GLU 159 N 0.00 0.68 -0.97 -3.83 4.57 -2.00 -2.86 114.58 110.16 2wv0 h GLU 159 Ca 0.00 -0.19 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 2wv0 h GLU 159 Cb 0.00 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.45 2wv0 h GLU 159 CO 0.00 0.73 0.62 0.66 -1.18 0.00 0.00 179.01 179.83 2wv0 h SER 160 N 0.63 0.97 -0.48 1.04 4.64 -1.98 -2.01 113.55 116.36 2wv0 h SER 160 Ca 0.12 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2wv0 h SER 160 Cb 0.47 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2wv0 h SER 160 CO 0.02 0.61 -0.06 0.45 -0.87 0.00 0.00 176.83 176.99 2wv0 h HIS 161 N 1.10 0.98 -0.16 4.77 3.86 -1.90 -3.27 115.15 120.53 2wv0 h HIS 161 Ca 0.43 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 2wv0 h HIS 161 Cb 0.20 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2wv0 h HIS 161 CO -0.01 0.94 -0.32 0.74 0.86 0.00 0.00 177.93 180.15 2wv0 h PHE 162 N 0.73 0.35 -0.08 2.45 0.04 -1.25 -2.73 116.94 116.45 2wv0 h PHE 162 Ca 0.13 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2wv0 h PHE 162 Cb 0.59 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2wv0 h PHE 162 CO 0.04 0.60 0.00 1.04 -0.60 0.00 0.00 178.31 179.39 2wv0 n GLN 163 N -4.10 1.39 -0.98 1.51 6.02 -0.82 -4.75 117.38 115.66 2wv0 n GLN 163 Ca -0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 2wv0 n GLN 163 Cb 0.42 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.33 2wv0 n GLN 163 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2wv0 n SER 164 N -0.20 1.37 -4.64 1.08 3.41 -1.03 -4.56 113.62 109.04 2wv0 n SER 164 Ca 0.15 -0.49 -0.43 0.00 -0.26 0.00 0.00 58.87 57.85 2wv0 n SER 164 Cb 0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2wv0 n SER 164 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wv0 s SER 165 N 0.02 6.93 0.17 4.04 0.15 -1.26 -4.91 113.70 118.84 2wv0 s SER 165 Ca 0.00 1.07 -0.11 0.00 0.70 0.00 0.00 55.95 57.61 2wv0 s SER 165 Cb 0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2wv0 s SER 165 CO 0.00 -0.81 1.67 0.40 1.20 0.00 0.00 173.24 175.70 2wv0 h ILE 166 N 5.66 1.25 -0.26 6.45 1.08 -1.93 -2.48 117.51 127.29 2wv0 h ILE 166 Ca -0.21 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.38 2wv0 h ILE 166 Cb 1.06 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.50 2wv0 h ILE 166 CO 1.01 0.35 -0.08 1.88 -0.69 0.00 0.00 178.15 180.61 2wv0 h TYR 167 N 0.86 -0.19 0.00 1.37 0.99 -1.97 0.31 116.97 118.33 2wv0 h TYR 167 Ca 0.18 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.84 2wv0 h TYR 167 Cb 0.38 0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.22 2wv0 h TYR 167 CO 0.03 -0.14 -0.46 0.38 -0.00 0.00 0.00 178.16 177.97 2wv0 h ASP 168 N -0.03 0.00 -0.45 3.88 2.03 -1.96 -1.73 116.42 118.16 2wv0 h ASP 168 Ca 0.13 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.37 2wv0 h ASP 168 Cb 0.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2wv0 h ASP 168 CO -0.28 0.46 0.06 -0.74 -1.03 0.00 0.00 179.24 177.71 2wv0 h HIS 169 N 0.00 0.80 -0.79 4.15 2.76 -1.06 -2.30 115.15 118.72 2wv0 h HIS 169 Ca -0.00 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2wv0 h HIS 169 Cb 1.00 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 2wv0 h HIS 169 CO 0.00 0.76 0.50 0.82 -1.30 0.00 0.00 177.93 178.71 2wv0 h ILE 170 N 0.61 1.21 -0.50 6.26 1.08 -0.35 0.23 117.51 126.06 2wv0 h ILE 170 Ca 0.14 -0.43 -0.05 0.00 -0.39 0.00 0.00 64.86 64.13 2wv0 h ILE 170 Cb 0.40 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2wv0 h ILE 170 CO 0.01 0.21 0.13 -0.33 -0.69 0.00 0.00 178.15 177.48 2wv0 h GLU 171 N 1.07 0.79 -0.12 2.37 5.08 -1.33 -1.87 114.58 120.58 2wv0 h GLU 171 Ca 0.28 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2wv0 h GLU 171 Cb -0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2wv0 h GLU 171 CO -0.06 0.76 0.05 0.00 -1.00 0.00 0.00 179.01 178.76 2wv0 h ARG 172 N 0.68 0.17 -0.72 2.33 3.08 -0.94 -1.01 114.38 117.98 2wv0 h ARG 172 Ca 0.16 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2wv0 h ARG 172 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2wv0 h ARG 172 CO 0.00 0.28 0.25 -0.92 -1.07 0.00 0.00 179.97 178.51 2wv0 h TYR 173 N 0.03 1.13 0.00 3.04 5.03 -0.54 -3.20 116.97 122.45 2wv0 h TYR 173 Ca 0.04 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2wv0 h TYR 173 Cb 0.18 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.12 2wv0 h TYR 173 CO -0.01 0.88 -0.94 0.09 -1.32 0.00 0.00 178.16 176.85 2wv0 n ASN 174 N -4.27 0.90 -3.40 -2.11 3.02 -0.71 -4.98 115.26 103.72 2wv0 n ASN 174 Ca 0.06 -0.86 -0.25 0.00 -0.03 0.00 0.00 54.58 53.51 2wv0 n ASN 174 Cb 0.21 0.90 0.03 0.00 -0.61 0.00 0.00 39.78 40.31 2wv0 n ASN 174 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wv0 n SER 175 N -1.52 -5.27 -3.74 6.41 7.64 -0.39 -4.99 113.62 111.75 2wv0 n SER 175 Ca 0.04 -0.46 -0.12 0.00 1.01 0.00 0.00 58.87 59.33 2wv0 n SER 175 Cb 0.34 -4.25 -0.12 0.00 -1.01 0.00 0.00 64.21 59.17 2wv0 n SER 175 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2wv0 s ILE 176 N -3.17 -0.02 0.78 0.44 1.10 -1.22 -5.08 121.20 114.03 2wv0 s ILE 176 Ca 0.46 0.08 -0.11 0.00 -0.51 0.00 0.00 60.65 60.56 2wv0 s ILE 176 Cb -0.22 -0.41 0.06 0.00 0.15 0.00 0.00 42.46 42.04 2wv0 s ILE 176 CO 0.56 0.03 1.11 -2.84 -2.11 0.00 0.00 174.94 171.70 2wv0 s PRO 177 N 0.83 2.09 0.13 3.50 0.02 -1.26 -4.49 135.00 135.82 2wv0 s PRO 177 Ca -0.06 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 2wv0 s PRO 177 Cb -0.07 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 2wv0 s PRO 177 CO -0.05 -1.79 1.18 0.42 -0.33 0.00 0.00 177.00 176.43 2wv0 s ILE 178 N -2.73 3.82 -0.20 2.83 -1.09 -1.26 -1.81 121.20 120.76 2wv0 s ILE 178 Ca 0.64 1.43 -0.09 0.00 -2.23 0.00 0.00 60.65 60.40 2wv0 s ILE 178 Cb -0.19 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.69 2wv0 s ILE 178 CO 0.54 0.18 -0.24 -0.24 -1.23 0.00 0.00 174.94 173.95 2wv0 n SER 179 N 3.09 1.52 -3.64 3.58 2.88 -0.44 -4.79 113.62 115.82 2wv0 n SER 179 Ca 0.06 0.20 -0.08 0.00 -1.33 0.00 0.00 58.87 57.72 2wv0 n SER 179 Cb 0.46 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 2wv0 n SER 179 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wv0 s ARG 180 N -2.36 1.31 0.01 -1.46 1.70 -1.20 -5.02 118.95 111.92 2wv0 s ARG 180 Ca -0.27 -0.63 0.01 0.00 -0.47 0.00 0.00 55.73 54.38 2wv0 s ARG 180 Cb 0.10 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.98 2wv0 s ARG 180 CO 0.35 -0.59 -0.04 0.00 -1.08 0.00 0.00 175.30 173.94 2wv0 s ALA 181 N -3.56 0.33 -0.32 7.88 0.00 -1.26 -1.27 121.76 123.56 2wv0 s ALA 181 Ca 0.07 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2wv0 s ALA 181 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2wv0 s ALA 181 CO -0.03 0.04 0.52 0.21 0.00 0.00 0.00 175.76 176.50 2wv0 s LYS 182 N -0.45 3.79 -0.04 0.00 2.47 0.02 -4.97 119.74 120.55 2wv0 s LYS 182 Ca -0.02 0.02 0.07 0.00 -1.56 0.00 0.00 55.97 54.48 2wv0 s LYS 182 Cb -0.04 -3.75 -0.01 0.00 -1.46 0.00 0.00 37.83 32.57 2wv0 s LYS 182 CO -0.00 -0.54 -0.25 -1.14 0.16 0.00 0.00 175.35 173.57 2wv0 s GLN 183 N 2.38 2.39 -0.10 4.03 0.74 -1.26 -1.55 119.66 126.30 2wv0 s GLN 183 Ca 0.20 -0.91 0.01 0.00 0.05 0.00 0.00 55.36 54.70 2wv0 s GLN 183 Cb -0.15 -2.12 0.02 0.00 1.10 0.00 0.00 33.01 31.86 2wv0 s GLN 183 CO 0.12 0.45 -0.10 -2.00 -0.55 0.00 0.00 175.29 173.21 2wv0 s GLU 184 N -0.33 1.66 -0.08 1.67 2.12 0.37 -4.99 118.70 119.13 2wv0 s GLU 184 Ca 0.01 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2wv0 s GLU 184 Cb -0.12 -1.55 -0.01 0.00 0.26 0.00 0.00 34.13 32.71 2wv0 s GLU 184 CO 0.02 -0.14 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.89 2wv0 s LEU 185 N 1.24 2.33 -0.07 2.70 1.02 -1.26 -1.07 118.68 123.56 2wv0 s LEU 185 Ca -0.03 -0.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.65 2wv0 s LEU 185 Cb -0.14 -1.46 0.03 0.00 0.02 0.00 0.00 46.19 44.64 2wv0 s LEU 185 CO -0.03 0.23 0.17 -0.70 0.02 0.00 0.00 176.35 176.04 2wv0 s GLU 186 N -0.09 0.14 0.46 1.70 2.12 -0.53 -5.00 118.70 117.51 2wv0 s GLU 186 Ca -0.05 0.36 -0.19 0.00 0.36 0.00 0.00 54.97 55.45 2wv0 s GLU 186 Cb -0.14 -0.10 -0.10 0.00 0.26 0.00 0.00 34.13 34.06 2wv0 s GLU 186 CO 0.04 -0.13 0.96 -1.25 -0.54 0.00 0.00 175.26 174.35 2wv0 s PRO 187 N 0.89 4.11 0.29 4.30 0.04 -1.26 -0.23 135.00 143.15 2wv0 s PRO 187 Ca -0.07 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 2wv0 s PRO 187 Cb -0.08 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2wv0 s PRO 187 CO -0.05 -0.13 0.47 0.45 0.04 0.00 0.00 177.00 177.79 2wv0 n SER 188 N -1.02 -1.34 -4.23 6.66 2.88 0.11 -4.84 113.62 111.84 2wv0 n SER 188 Ca 0.07 -2.44 -0.32 0.00 -1.33 0.00 0.00 58.87 54.84 2wv0 n SER 188 Cb 0.54 2.38 -0.16 0.00 -0.75 0.00 0.00 64.21 66.21 2wv0 n SER 188 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wv0 s ALA 189 N -2.32 2.27 0.13 -1.46 0.00 -1.26 -0.48 121.76 118.64 2wv0 s ALA 189 Ca 0.20 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 50.83 2wv0 s ALA 189 Cb -0.02 -0.93 -0.14 0.00 0.00 0.00 0.00 23.12 22.04 2wv0 s ALA 189 CO 0.14 0.20 1.58 0.00 0.00 0.00 0.00 175.76 177.69 2wv0 n ALA 190 N 3.66 1.12 -1.28 0.00 0.00 0.43 -4.78 120.51 119.68 2wv0 n ALA 190 Ca -0.19 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2wv0 n ALA 190 Cb 0.53 -2.34 0.13 0.00 0.00 0.00 0.00 19.45 17.77 2wv0 n ALA 190 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wv0 s THR 191 N 1.15 2.67 0.18 0.00 -4.23 -1.26 -0.80 115.64 113.35 2wv0 s THR 191 Ca 0.80 0.22 -0.17 0.00 -1.18 0.00 0.00 61.69 61.36 2wv0 s THR 191 Cb -0.71 -2.76 0.13 0.00 1.34 0.00 0.00 72.50 70.51 2wv0 s THR 191 CO 0.40 -0.28 1.64 0.74 -0.54 0.00 0.00 174.62 176.58 2wv0 h THR 192 N -1.49 0.45 -0.20 3.99 2.02 -1.96 -0.07 112.91 115.65 2wv0 h THR 192 Ca -0.49 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.48 2wv0 h THR 192 Cb 1.29 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2wv0 h THR 192 CO 0.56 0.00 -0.70 -0.08 0.37 0.00 0.00 175.52 175.67 2wv0 h GLU 193 N -0.06 0.80 -0.92 6.66 4.81 -2.00 -2.58 114.58 121.30 2wv0 h GLU 193 Ca 0.22 -0.60 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2wv0 h GLU 193 Cb 0.40 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2wv0 h GLU 193 CO -0.51 1.22 0.54 0.93 -0.73 0.00 0.00 179.01 180.46 2wv0 h GLU 194 N 0.57 1.25 -0.51 1.92 5.08 -1.89 -2.15 114.58 118.85 2wv0 h GLU 194 Ca -0.03 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2wv0 h GLU 194 Cb 1.32 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2wv0 h GLU 194 CO 0.15 0.89 0.14 0.00 -1.00 0.00 0.00 179.01 179.18 2wv0 h ALA 195 N 1.30 0.68 -0.34 3.43 0.00 -0.94 -0.69 119.26 122.69 2wv0 h ALA 195 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wv0 h ALA 195 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2wv0 h ALA 195 CO -0.06 0.36 0.23 -0.91 0.00 0.00 0.00 179.25 178.87 2wv0 h ASN 196 N 0.71 0.39 0.15 0.00 2.35 -1.28 0.10 115.58 118.01 2wv0 h ASN 196 Ca 0.16 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2wv0 h ASN 196 Cb 0.32 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2wv0 h ASN 196 CO -0.00 0.28 -0.44 0.40 -1.65 0.00 0.00 177.43 176.03 2wv0 h ILE 197 N 0.46 1.32 0.00 2.81 2.04 -1.29 -3.17 117.51 119.68 2wv0 h ILE 197 Ca 0.13 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2wv0 h ILE 197 Cb -0.05 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2wv0 h ILE 197 CO -0.03 0.49 -0.54 0.18 0.00 0.00 0.00 178.15 178.25 2wv0 n LEU 198 N -4.00 0.64 0.00 1.44 4.77 -0.28 -4.84 117.00 114.73 2wv0 n LEU 198 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2wv0 n LEU 198 Cb 0.51 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2wv0 n LEU 198 CO 0.43 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2wv0 n GLY 199 N 1.37 0.54 2.15 -0.72 0.00 -0.12 -4.59 105.19 103.81 2wv0 n GLY 199 Ca 0.04 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 2wv0 n GLY 199 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wv0 n ILE 200 N -2.77 0.00 -3.06 -0.61 -5.35 -0.33 -5.03 119.36 102.21 2wv0 n ILE 200 Ca 0.00 -1.27 -0.35 0.00 -0.27 0.00 0.00 62.75 60.86 2wv0 n ILE 200 Cb 0.00 -0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 37.70 2wv0 n ILE 200 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2wv0 s GLN 201 N -3.24 4.24 0.16 6.28 2.00 -1.26 -4.38 119.66 123.47 2wv0 s GLN 201 Ca 0.14 0.90 -0.33 0.00 -2.00 0.00 0.00 55.36 54.07 2wv0 s GLN 201 Cb -0.01 -2.76 -0.13 0.00 0.80 0.00 0.00 33.01 30.91 2wv0 s GLN 201 CO 0.09 0.32 1.63 1.17 -0.50 0.00 0.00 175.29 178.00 2wv0 n LYS 202 N 0.44 2.32 -0.16 1.67 4.81 -1.26 -2.06 118.16 123.92 2wv0 n LYS 202 Ca -0.00 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2wv0 n LYS 202 Cb 0.51 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.93 2wv0 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wv0 n GLY 203 N 3.61 1.02 3.73 3.14 0.00 0.02 -4.96 105.19 111.75 2wv0 n GLY 203 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2wv0 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv0 s ALA 204 N -2.57 2.32 0.12 4.61 0.00 -0.87 -4.25 121.76 121.12 2wv0 s ALA 204 Ca 0.00 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 2wv0 s ALA 204 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 2wv0 s ALA 204 CO 0.00 -1.66 1.81 -2.14 0.00 0.00 0.00 175.76 173.77 2wv0 s PRO 205 N -3.48 4.14 0.31 0.00 0.02 -1.26 -0.42 135.00 134.31 2wv0 s PRO 205 Ca 0.81 2.57 0.09 0.00 0.02 0.00 0.00 61.00 64.49 2wv0 s PRO 205 Cb -0.36 -3.58 -0.06 0.00 0.02 0.00 0.00 34.50 30.53 2wv0 s PRO 205 CO 0.41 -0.83 -0.11 0.14 -0.33 0.00 0.00 177.00 176.28 2wv0 s VAL 206 N 2.68 2.13 -0.19 3.83 -7.23 0.37 -1.13 120.40 120.87 2wv0 s VAL 206 Ca 0.80 -2.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2wv0 s VAL 206 Cb -0.46 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 2wv0 s VAL 206 CO 0.36 -0.27 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.63 2wv0 s LEU 207 N -3.55 3.13 -0.19 1.32 2.96 -0.20 -0.71 118.68 121.44 2wv0 s LEU 207 Ca 0.31 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 2wv0 s LEU 207 Cb 0.01 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2wv0 s LEU 207 CO 0.15 0.08 0.60 -0.76 -1.32 0.00 0.00 176.35 175.10 2wv0 s LEU 208 N 0.88 4.15 -0.13 -0.68 1.02 0.69 -1.09 118.68 123.52 2wv0 s LEU 208 Ca -0.00 0.79 0.01 0.00 0.02 0.00 0.00 54.13 54.95 2wv0 s LEU 208 Cb -0.14 -2.84 0.02 0.00 0.02 0.00 0.00 46.19 43.25 2wv0 s LEU 208 CO 0.01 -0.24 -0.16 -0.63 0.02 0.00 0.00 176.35 175.36 2wv0 s ILE 209 N 1.78 1.64 -0.17 -0.59 1.01 -0.35 -1.45 121.20 123.07 2wv0 s ILE 209 Ca 0.27 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2wv0 s ILE 209 Cb -0.16 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 2wv0 s ILE 209 CO 0.10 0.47 -0.12 -0.75 0.00 0.00 0.00 174.94 174.64 2wv0 s LYS 210 N 1.14 3.26 -0.05 2.79 2.20 -0.24 -0.67 119.74 128.18 2wv0 s LYS 210 Ca -0.02 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2wv0 s LYS 210 Cb -0.14 -2.73 0.03 0.00 -1.51 0.00 0.00 37.83 33.47 2wv0 s LYS 210 CO -0.05 -0.04 -0.01 0.50 -0.36 0.00 0.00 175.35 175.39 2wv0 s ARG 211 N 1.00 0.49 -0.21 4.03 3.52 -0.25 -0.48 118.95 127.04 2wv0 s ARG 211 Ca -0.01 0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 2wv0 s ARG 211 Cb -0.15 -0.71 -0.03 0.00 -1.56 0.00 0.00 34.95 32.51 2wv0 s ARG 211 CO -0.02 -0.18 0.02 0.99 -0.81 0.00 0.00 175.30 175.30 2wv0 s THR 212 N 1.35 4.10 -0.12 4.11 2.01 -0.60 -0.69 115.64 125.80 2wv0 s THR 212 Ca -0.05 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2wv0 s THR 212 Cb -0.13 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 2wv0 s THR 212 CO -0.02 0.41 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.28 2wv0 s THR 213 N 1.11 2.95 0.09 -0.82 2.01 -0.14 -0.80 115.64 120.05 2wv0 s THR 213 Ca 0.03 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2wv0 s THR 213 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2wv0 s THR 213 CO 0.02 0.53 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.15 2wv0 s TYR 214 N 0.30 2.93 0.88 4.92 2.02 -0.40 -1.25 117.35 126.76 2wv0 s TYR 214 Ca -0.11 -0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 2wv0 s TYR 214 Cb -0.16 -1.51 0.14 0.00 -0.40 0.00 0.00 41.96 40.03 2wv0 s TYR 214 CO 0.06 0.47 1.25 -0.51 -1.57 0.00 0.00 175.55 175.24 2wv0 s LEU 215 N -2.29 2.60 0.46 -1.29 2.01 0.39 -1.33 118.68 119.23 2wv0 s LEU 215 Ca 0.25 0.54 0.12 0.00 0.01 0.00 0.00 54.13 55.04 2wv0 s LEU 215 Cb -0.12 -2.82 1.04 0.00 0.01 0.00 0.00 46.19 44.31 2wv0 s LEU 215 CO 0.17 -2.30 2.08 -0.61 1.01 0.00 0.00 176.35 176.71 2wv0 h GLN 216 N -1.34 0.25 0.00 1.70 4.15 -1.66 -1.58 115.11 116.62 2wv0 h GLN 216 Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2wv0 h GLN 216 Cb 1.28 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2wv0 h GLN 216 CO 0.53 0.19 0.00 0.27 -1.93 0.00 0.00 178.83 177.89 2wv0 n ASN 217 N -4.48 0.00 0.00 -0.69 6.94 -1.26 -4.87 115.26 110.90 2wv0 n ASN 217 Ca -0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 2wv0 n ASN 217 Cb 0.10 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2wv0 n ASN 217 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wv0 n GLY 218 N 0.46 2.36 3.68 4.83 0.00 -0.60 -5.03 105.19 110.89 2wv0 n GLY 218 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2wv0 n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wv0 s THR 219 N -2.27 3.58 0.28 2.61 2.01 -1.26 -4.69 115.64 115.90 2wv0 s THR 219 Ca 0.00 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 2wv0 s THR 219 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 2wv0 s THR 219 CO 0.00 -0.04 1.22 0.00 -0.69 0.00 0.00 174.62 175.12 2wv0 s ALA 220 N 3.11 3.46 0.00 7.40 0.00 -1.26 -0.46 121.76 134.02 2wv0 s ALA 220 Ca 0.68 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2wv0 s ALA 220 Cb -0.33 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2wv0 s ALA 220 CO 0.28 -0.42 0.00 1.97 0.00 0.00 0.00 175.76 177.58 2wv0 n PHE 221 N 1.40 0.00 -3.79 0.00 -1.74 -0.38 -4.90 117.46 108.05 2wv0 n PHE 221 Ca 0.01 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.76 2wv0 n PHE 221 Cb 0.43 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.28 2wv0 n PHE 221 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 2wv0 s GLU 222 N -1.31 0.00 -0.22 3.97 2.12 -1.12 -4.08 118.70 118.07 2wv0 s GLU 222 Ca 0.00 0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.54 2wv0 s GLU 222 Cb 0.00 -0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.25 2wv0 s GLU 222 CO 0.00 -0.13 -0.15 -1.58 -0.54 0.00 0.00 175.26 172.85 2wv0 s HIS 223 N 0.86 3.01 -0.02 5.30 5.65 -0.87 -0.96 115.29 128.26 2wv0 s HIS 223 Ca -0.07 -1.94 0.07 0.00 0.25 0.00 0.00 55.06 53.36 2wv0 s HIS 223 Cb -0.10 -1.93 -0.02 0.00 -1.18 0.00 0.00 32.58 29.36 2wv0 s HIS 223 CO -0.03 -0.84 -0.22 0.00 -0.65 0.00 0.00 174.74 173.00 2wv0 s ALA 224 N 1.21 1.84 -0.04 1.58 0.00 0.13 -0.37 121.76 126.11 2wv0 s ALA 224 Ca -0.01 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2wv0 s ALA 224 Cb -0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2wv0 s ALA 224 CO -0.09 0.44 -0.25 0.15 0.00 0.00 0.00 175.76 176.01 2wv0 s LYS 225 N -0.46 2.30 0.02 0.00 3.01 0.22 -1.09 119.74 123.73 2wv0 s LYS 225 Ca 0.07 -0.90 0.01 0.00 -1.01 0.00 0.00 55.97 54.14 2wv0 s LYS 225 Cb -0.09 -2.07 -0.01 0.00 -1.01 0.00 0.00 37.83 34.64 2wv0 s LYS 225 CO -0.00 0.46 -0.04 -1.12 0.51 0.00 0.00 175.35 175.15 2wv0 s SER 226 N -0.37 0.46 -0.22 2.83 0.01 0.15 -0.12 113.70 116.45 2wv0 s SER 226 Ca 0.03 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 2wv0 s SER 226 Cb -0.12 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.15 2wv0 s SER 226 CO 0.01 -0.14 -0.09 -0.69 0.41 0.00 0.00 173.24 172.74 2wv0 s VAL 227 N -0.90 2.87 -0.09 3.43 1.01 -0.43 -1.21 120.40 125.07 2wv0 s VAL 227 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2wv0 s VAL 227 Cb -0.07 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2wv0 s VAL 227 CO -0.00 0.39 -0.05 -0.31 0.00 0.00 0.00 175.10 175.13 2wv0 s TYR 228 N 1.38 2.99 -0.01 5.22 2.02 -0.25 -1.39 117.35 127.31 2wv0 s TYR 228 Ca 0.04 -0.06 -0.32 0.00 -0.37 0.00 0.00 57.07 56.36 2wv0 s TYR 228 Cb -0.15 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.52 2wv0 s TYR 228 CO -0.06 0.24 1.92 0.54 -1.57 0.00 0.00 175.55 176.62 2wv0 n ARG 229 N 2.58 2.54 -0.30 -0.62 1.74 -0.51 -1.03 116.66 121.06 2wv0 n ARG 229 Ca -0.18 0.93 -0.04 0.00 -0.77 0.00 0.00 57.85 57.79 2wv0 n ARG 229 Cb 0.53 -2.83 0.11 0.00 -1.02 0.00 0.00 32.46 29.24 2wv0 n ARG 229 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2wv0 h GLY 230 N 9.74 1.27 2.00 -0.13 0.00 -1.42 -2.46 103.07 112.08 2wv0 h GLY 230 Ca -0.49 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.23 2wv0 h GLY 230 CO 0.94 0.58 0.00 1.29 0.00 0.00 0.00 176.54 179.36 2wv0 h ASP 231 N 1.18 0.00 0.00 0.19 2.03 -1.91 -3.21 116.42 114.70 2wv0 h ASP 231 Ca 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 2wv0 h ASP 231 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2wv0 h ASP 231 CO -0.04 0.00 -0.58 0.54 -1.03 0.00 0.00 179.24 178.13 2wv0 n ARG 232 N -2.65 3.56 -4.23 4.15 1.74 -1.13 -5.04 116.66 113.06 2wv0 n ARG 232 Ca 0.01 -0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 2wv0 n ARG 232 Cb 0.24 -0.92 -0.17 0.00 -1.02 0.00 0.00 32.46 30.60 2wv0 n ARG 232 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2wv0 s TYR 233 N -1.87 1.27 -0.12 -1.55 6.14 -0.94 -5.07 117.35 115.22 2wv0 s TYR 233 Ca 0.01 -0.51 0.02 0.00 0.64 0.00 0.00 57.07 57.23 2wv0 s TYR 233 Cb 0.05 -1.02 0.01 0.00 0.42 0.00 0.00 41.96 41.42 2wv0 s TYR 233 CO 0.29 -0.34 -0.19 0.99 0.64 0.00 0.00 175.55 176.94 2wv0 s THR 234 N 1.14 1.75 0.06 4.34 2.01 -1.26 -4.76 115.64 118.92 2wv0 s THR 234 Ca -0.06 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2wv0 s THR 234 Cb -0.14 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 2wv0 s THR 234 CO -0.01 0.49 1.09 0.12 -0.69 0.00 0.00 174.62 175.61 2wv0 s PHE 235 N 0.82 3.57 -0.03 4.92 2.19 -1.26 -5.06 117.98 123.13 2wv0 s PHE 235 Ca -0.09 1.52 0.03 0.00 0.33 0.00 0.00 56.93 58.72 2wv0 s PHE 235 Cb -0.16 -3.26 0.00 0.00 -1.31 0.00 0.00 43.02 38.29 2wv0 s PHE 235 CO 0.00 -0.62 -0.10 0.08 1.83 0.00 0.00 175.22 176.41 2wv0 s VAL 236 N 0.81 0.88 -0.03 3.12 1.01 -1.26 -5.15 120.40 119.78 2wv0 s VAL 236 Ca 0.54 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2wv0 s VAL 236 Cb -0.26 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.45 2wv0 s VAL 236 CO 0.29 0.27 0.86 -2.28 0.00 0.00 0.00 175.10 174.24 2wv0 s HIS 237 N 0.13 -0.41 0.12 5.22 5.04 -1.26 -4.69 115.29 119.45 2wv0 s HIS 237 Ca -0.03 0.45 -0.03 0.00 -1.54 0.00 0.00 55.06 53.91 2wv0 s HIS 237 Cb -0.09 0.50 -0.05 0.00 0.04 0.00 0.00 32.58 32.99 2wv0 s HIS 237 CO 0.01 -0.53 0.33 0.71 -2.34 0.00 0.00 174.74 172.91 2wv0 s TYR 238 N -2.44 3.49 -0.01 3.88 2.02 -0.18 -5.05 117.35 119.06 2wv0 s TYR 238 Ca 0.01 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.22 2wv0 s TYR 238 Cb -0.01 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2wv0 s TYR 238 CO -0.04 0.47 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.59 2wv0 s MET 239 N -2.67 1.43 -0.09 -0.62 -1.94 -1.26 -4.92 119.30 109.23 2wv0 s MET 239 Ca 0.39 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.79 2wv0 s MET 239 Cb -0.12 -1.38 -0.01 0.00 2.01 0.00 0.00 34.83 35.33 2wv0 s MET 239 CO 0.26 0.38 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.91 2wv0 s ASP 240 N -0.41 3.25 0.05 3.03 1.11 -1.26 -5.09 116.67 117.34 2wv0 s ASP 240 Ca 0.07 -0.50 -0.30 0.00 0.18 0.00 0.00 52.55 51.99 2wv0 s ASP 240 Cb -0.07 -1.25 -0.09 0.00 1.07 0.00 0.00 42.92 42.59 2wv0 s ASP 240 CO -0.01 0.19 1.85 -0.13 1.18 0.00 0.00 175.17 178.26 2wv0 s ARG 241 N 0.15 4.15 0.00 8.23 1.81 -1.26 -5.36 118.95 126.67 2wv0 s ARG 241 Ca -0.12 2.52 0.32 0.00 -1.72 0.00 0.00 55.73 56.73 2wv0 s ARG 241 Cb -0.16 -3.94 1.91 0.00 -0.45 0.00 0.00 34.95 32.30 2wv0 s ARG 241 CO 0.07 -0.89 2.23 1.28 -0.68 0.00 0.00 175.30 177.30