#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv0 s ASN 2 N 0.00 2.98 -0.17 7.83 2.47 -1.26 -5.12 114.94 121.67 2wv0 s ASN 2 Ca 0.00 -0.64 -0.06 0.00 0.42 0.00 0.00 52.86 52.58 2wv0 s ASN 2 Cb 0.00 -1.25 -0.04 0.00 -1.45 0.00 0.00 41.25 38.51 2wv0 s ASN 2 CO 0.00 -0.07 0.04 -0.63 -3.72 0.00 0.00 177.10 172.72 2wv0 s ILE 3 N 1.42 4.61 -0.44 -5.21 1.09 -1.26 -4.98 121.20 116.43 2wv0 s ILE 3 Ca 0.03 -0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 59.47 2wv0 s ILE 3 Cb -0.14 -3.06 0.12 0.00 -1.06 0.00 0.00 42.46 38.32 2wv0 s ILE 3 CO -0.10 0.48 0.22 0.20 -0.10 0.00 0.00 174.94 175.64 2wv0 s ASN 4 N 0.27 5.10 0.30 3.58 0.01 -1.26 -4.99 114.94 117.96 2wv0 s ASN 4 Ca 0.02 -2.27 0.05 0.00 -0.71 0.00 0.00 52.86 49.96 2wv0 s ASN 4 Cb -0.13 -1.79 0.46 0.00 0.41 0.00 0.00 41.25 40.21 2wv0 s ASN 4 CO 0.01 -0.46 1.72 0.11 -1.51 0.00 0.00 177.10 176.97 2wv0 h LYS 5 N 7.68 0.33 0.00 -0.60 1.57 -1.98 -2.69 116.57 120.88 2wv0 h LYS 5 Ca -0.09 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2wv0 h LYS 5 Cb 1.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2wv0 h LYS 5 CO 0.67 0.63 0.00 1.04 -0.57 0.00 0.00 179.45 181.22 2wv0 n GLN 6 N -4.08 0.75 -2.79 3.15 1.13 -1.26 -4.87 117.38 109.40 2wv0 n GLN 6 Ca -0.01 0.01 -0.36 0.00 -1.94 0.00 0.00 57.00 54.70 2wv0 n GLN 6 Cb 0.44 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.22 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 -2.15 7.26 0.63 1.08 0.15 -1.02 -4.94 113.70 114.71 2wv0 s SER 7 Ca 0.38 1.80 0.36 0.00 0.70 0.00 0.00 55.95 59.19 2wv0 s SER 7 Cb 0.19 -2.57 2.09 0.00 -1.71 0.00 0.00 66.02 64.02 2wv0 s SER 7 CO 0.35 -0.12 2.31 -0.65 1.20 0.00 0.00 173.24 176.32 2wv0 h PRO 8 N 2.95 0.00 -6.28 5.44 0.11 -1.89 -3.42 132.00 128.90 2wv0 h PRO 8 Ca -0.47 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 2wv0 h PRO 8 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2wv0 h PRO 8 CO 0.64 0.00 0.57 0.42 -0.21 0.00 0.00 178.00 179.42 2wv0 s ILE 9 N -4.42 4.69 0.43 4.15 1.01 -1.26 -4.98 121.20 120.82 2wv0 s ILE 9 Ca -0.05 1.96 -0.25 0.00 0.00 0.00 0.00 60.65 62.32 2wv0 s ILE 9 Cb 0.14 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 2wv0 s ILE 9 CO 0.49 0.02 1.17 -2.65 0.00 0.00 0.00 174.94 173.97 2wv0 n PRO 10 N 4.92 1.68 -0.08 2.79 -0.02 -1.26 -4.81 135.00 138.21 2wv0 n PRO 10 Ca 0.09 0.60 -0.06 0.00 -2.02 0.00 0.00 63.50 62.10 2wv0 n PRO 10 Cb 0.48 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.81 0.69 -0.93 4.25 2.04 -1.91 -1.95 117.51 121.52 2wv0 h ILE 11 Ca -0.47 -0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.58 2wv0 h ILE 11 Cb 1.31 0.69 -0.11 0.00 -0.74 0.00 0.00 36.82 37.97 2wv0 h ILE 11 CO 0.58 0.00 0.50 0.10 0.00 0.00 0.00 178.15 179.34 2wv0 h TYR 12 N 0.01 0.87 -0.13 1.37 -0.00 -1.92 -0.63 116.97 116.53 2wv0 h TYR 12 Ca 0.15 0.04 -0.13 0.00 0.00 0.00 0.00 58.73 58.79 2wv0 h TYR 12 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 36.73 36.71 2wv0 h TYR 12 CO -0.29 0.12 -0.48 -0.92 -0.00 0.00 0.00 178.16 176.59 2wv0 h TYR 13 N 0.60 0.42 -0.53 0.10 3.20 -1.78 -2.61 116.97 116.37 2wv0 h TYR 13 Ca 0.55 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 62.18 2wv0 h TYR 13 Cb 0.92 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 2wv0 h TYR 13 CO -0.06 0.76 -0.10 1.96 -1.64 0.00 0.00 178.16 179.08 2wv0 h GLN 14 N 0.27 1.00 -0.20 1.82 4.20 -0.41 -2.44 115.11 119.35 2wv0 h GLN 14 Ca 0.01 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2wv0 h GLN 14 Cb 0.95 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2wv0 h GLN 14 CO 0.08 1.05 0.10 0.82 -0.67 0.00 0.00 178.83 180.21 2wv0 h ILE 15 N 0.87 1.13 -0.16 2.54 2.04 -1.23 -2.39 117.51 120.31 2wv0 h ILE 15 Ca 0.14 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2wv0 h ILE 15 Cb 0.66 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2wv0 h ILE 15 CO 0.05 0.12 -0.07 0.24 0.00 0.00 0.00 178.15 178.49 2wv0 h MET 16 N 0.20 -0.05 -0.54 2.37 2.86 -1.45 0.42 114.93 118.74 2wv0 h MET 16 Ca 0.07 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2wv0 h MET 16 Cb 0.10 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2wv0 h MET 16 CO -0.01 -0.03 0.16 0.93 1.06 0.00 0.00 176.91 179.02 2wv0 h GLU 17 N -0.05 0.82 0.02 1.72 4.39 -1.36 -1.39 114.58 118.71 2wv0 h GLU 17 Ca 0.09 -0.15 -0.24 0.00 0.34 0.00 0.00 59.36 59.40 2wv0 h GLU 17 Cb 0.18 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2wv0 h GLU 17 CO -0.19 0.71 -0.99 1.96 -1.16 0.00 0.00 179.01 179.34 2wv0 h GLN 18 N 0.79 0.44 -0.81 2.33 4.20 -1.05 -2.81 115.11 118.21 2wv0 h GLN 18 Ca 0.18 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 2wv0 h GLN 18 Cb 0.25 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 2wv0 h GLN 18 CO -0.01 1.15 0.37 -0.07 -0.67 0.00 0.00 178.83 179.60 2wv0 h LEU 19 N 0.24 1.07 -1.14 1.46 4.07 -0.68 -1.66 115.31 118.67 2wv0 h LEU 19 Ca -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 2wv0 h LEU 19 Cb 1.64 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 43.07 2wv0 h LEU 19 CO 0.17 0.92 0.40 0.11 -1.08 0.00 0.00 178.44 178.97 2wv0 h LYS 20 N 1.15 1.00 0.01 1.13 1.57 -1.19 -0.76 116.57 119.48 2wv0 h LYS 20 Ca 0.27 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.75 2wv0 h LYS 20 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2wv0 h LYS 20 CO -0.03 0.73 -0.90 1.79 -0.57 0.00 0.00 179.45 180.47 2wv0 h THR 21 N 1.01 1.52 -0.73 -0.16 1.35 -1.35 -1.69 112.91 112.87 2wv0 h THR 21 Ca 0.26 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 2wv0 h THR 21 Cb 0.02 2.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.93 2wv0 h THR 21 CO -0.04 0.79 0.47 1.56 -0.25 0.00 0.00 175.52 178.05 2wv0 h GLN 22 N 0.08 0.97 -0.45 4.72 4.20 -0.93 0.01 115.11 123.71 2wv0 h GLN 22 Ca -0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2wv0 h GLN 22 Cb 1.55 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 2wv0 h GLN 22 CO 0.13 0.65 0.17 0.82 -0.67 0.00 0.00 178.83 179.94 2wv0 h ILE 23 N 0.99 1.21 -0.53 2.54 2.04 -1.02 -0.28 117.51 122.47 2wv0 h ILE 23 Ca 0.27 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2wv0 h ILE 23 Cb -0.09 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2wv0 h ILE 23 CO -0.06 0.24 0.09 0.11 0.00 0.00 0.00 178.15 178.53 2wv0 h LYS 24 N 0.59 0.87 -0.67 2.37 1.57 -0.92 -2.77 116.57 117.61 2wv0 h LYS 24 Ca 0.15 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2wv0 h LYS 24 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wv0 h LYS 24 CO -0.01 0.85 0.00 0.27 -0.57 0.00 0.00 179.45 179.99 2wv0 n ASN 25 N -4.38 3.15 0.00 0.86 0.23 -0.05 -4.90 115.26 110.17 2wv0 n ASN 25 Ca 0.02 -2.36 0.00 0.00 -0.53 0.00 0.00 54.58 51.71 2wv0 n ASN 25 Cb 0.26 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 2wv0 n ASN 25 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wv0 n GLY 26 N 0.55 0.68 0.32 4.83 0.00 -0.97 -4.85 105.19 105.75 2wv0 n GLY 26 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2wv0 n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wv0 h GLU 27 N 2.00 0.31 -5.10 1.61 4.81 -1.32 -3.36 114.58 113.53 2wv0 h GLU 27 Ca 0.00 -0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.55 2wv0 h GLU 27 Cb 0.04 -0.07 -0.28 0.00 0.63 0.00 0.00 28.75 29.06 2wv0 h GLU 27 CO 0.00 0.20 -0.75 -0.51 -0.73 0.00 0.00 179.01 177.22 2wv0 s LEU 28 N -9.27 2.76 0.17 1.64 1.43 -0.92 -4.98 118.68 109.52 2wv0 s LEU 28 Ca -0.07 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 2wv0 s LEU 28 Cb 0.18 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.65 2wv0 s LEU 28 CO 0.72 0.04 0.64 -1.10 0.23 0.00 0.00 176.35 176.87 2wv0 s GLN 29 N 1.12 4.14 0.35 1.70 -1.52 -1.26 -4.56 119.66 119.64 2wv0 s GLN 29 Ca 0.01 0.71 -0.28 0.00 -1.95 0.00 0.00 55.36 53.85 2wv0 s GLN 29 Cb -0.14 -2.95 -0.12 0.00 -0.22 0.00 0.00 33.01 29.57 2wv0 s GLN 29 CO -0.02 0.46 1.36 -2.30 -0.25 0.00 0.00 175.29 174.54 2wv0 n PRO 30 N 0.89 2.32 -3.80 2.91 -0.02 -1.26 -2.73 135.00 133.31 2wv0 n PRO 30 Ca -0.05 0.81 -0.27 0.00 -2.02 0.00 0.00 63.50 61.98 2wv0 n PRO 30 Cb 0.51 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 2wv0 n PRO 30 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2wv0 n ASP 31 N 0.72 -4.16 -3.93 2.55 5.68 -1.06 -4.89 116.55 111.47 2wv0 n ASP 31 Ca 0.04 -0.74 -0.17 0.00 -0.50 0.00 0.00 54.79 53.41 2wv0 n ASP 31 Cb 0.37 -4.16 -0.15 0.00 -1.14 0.00 0.00 41.12 36.03 2wv0 n ASP 31 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2wv0 s MET 32 N -6.38 0.55 0.28 0.11 1.00 -1.10 -4.94 119.30 108.82 2wv0 s MET 32 Ca 0.48 -0.14 -0.30 0.00 0.00 0.00 0.00 55.69 55.73 2wv0 s MET 32 Cb -0.23 -0.56 -0.11 0.00 0.00 0.00 0.00 34.83 33.92 2wv0 s MET 32 CO 0.81 0.04 1.60 -1.25 0.00 0.00 0.00 175.02 176.21 2wv0 s PRO 33 N 0.30 4.13 0.47 2.03 0.04 -1.26 -4.17 135.00 136.53 2wv0 s PRO 33 Ca -0.03 2.57 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 2wv0 s PRO 33 Cb -0.07 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 2wv0 s PRO 33 CO -0.00 -0.63 0.95 -0.51 0.04 0.00 0.00 177.00 176.84 2wv0 s LEU 34 N -0.37 3.76 0.59 -3.56 1.43 0.37 -5.00 118.68 115.91 2wv0 s LEU 34 Ca 0.64 1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 55.13 2wv0 s LEU 34 Cb -0.48 -4.46 -0.07 0.00 0.03 0.00 0.00 46.19 41.21 2wv0 s LEU 34 CO 0.46 -0.48 0.59 -2.65 0.23 0.00 0.00 176.35 174.50 2wv0 n PRO 35 N -1.19 0.53 -0.96 1.29 -0.02 -1.26 -4.68 135.00 128.72 2wv0 n PRO 35 Ca 0.06 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 2wv0 n PRO 35 Cb 0.54 -1.78 0.14 0.00 -0.02 0.00 0.00 33.50 32.37 2wv0 n PRO 35 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wv0 n SER 36 N 0.21 0.33 -0.11 2.55 2.88 -1.26 -4.80 113.62 113.42 2wv0 n SER 36 Ca 0.12 0.51 -0.05 0.00 -1.33 0.00 0.00 58.87 58.12 2wv0 n SER 36 Cb 0.48 -1.45 0.02 0.00 -0.75 0.00 0.00 64.21 62.51 2wv0 n SER 36 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2wv0 h GLU 37 N -1.23 0.14 0.00 -1.46 4.81 -1.96 -1.91 114.58 112.97 2wv0 h GLU 37 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2wv0 h GLU 37 Cb 1.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2wv0 h GLU 37 CO 0.43 0.09 0.00 0.00 -0.73 0.00 0.00 179.01 178.80 2wv0 h ARG 38 N 0.15 0.00 0.46 1.92 3.08 -1.92 -1.77 114.38 116.29 2wv0 h ARG 38 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2wv0 h ARG 38 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2wv0 h ARG 38 CO -0.27 0.00 -0.22 1.49 -1.07 0.00 0.00 179.97 179.90 2wv0 h GLU 39 N 0.00 -0.59 -0.25 0.04 4.81 -1.77 -2.46 114.58 114.36 2wv0 h GLU 39 Ca 0.00 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2wv0 h GLU 39 Cb 0.72 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 2wv0 h GLU 39 CO 0.00 -0.28 -0.07 1.88 -0.73 0.00 0.00 179.01 179.80 2wv0 h TYR 40 N -0.94 -0.16 -0.20 0.92 0.05 -1.32 -1.08 116.97 114.25 2wv0 h TYR 40 Ca -0.06 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.79 2wv0 h TYR 40 Cb 0.58 0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.36 2wv0 h TYR 40 CO 0.01 -0.12 -0.40 0.00 -1.05 0.00 0.00 178.16 176.60 2wv0 h ALA 41 N 1.23 -0.50 -0.12 3.88 0.00 -1.39 -2.31 119.26 120.04 2wv0 h ALA 41 Ca 0.12 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2wv0 h ALA 41 Cb 0.20 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wv0 h ALA 41 CO -0.27 -0.88 -0.40 1.05 0.00 0.00 0.00 179.25 178.75 2wv0 h GLU 42 N -0.43 0.27 -1.00 0.00 -0.00 -1.35 0.19 114.58 112.25 2wv0 h GLU 42 Ca 0.10 -0.13 0.08 0.00 -0.00 0.00 0.00 59.36 59.41 2wv0 h GLU 42 Cb 0.60 -0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.28 2wv0 h GLU 42 CO -0.43 0.64 0.64 0.37 -0.00 0.00 0.00 179.01 180.23 2wv0 h GLN 43 N 0.23 1.09 -0.00 1.06 4.15 -0.76 -3.09 115.11 117.79 2wv0 h GLN 43 Ca 0.02 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2wv0 h GLN 43 Cb 0.81 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2wv0 h GLN 43 CO 0.06 0.72 -0.61 1.19 -1.93 0.00 0.00 178.83 178.27 2wv0 n PHE 44 N -4.53 0.00 -3.00 3.99 3.72 -0.91 -4.99 117.46 111.74 2wv0 n PHE 44 Ca 0.16 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.44 2wv0 n PHE 44 Cb 0.23 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.30 0.05 3.55 1.37 0.00 0.46 -5.05 105.19 106.87 2wv0 n GLY 45 Ca 0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2wv0 n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv0 s ILE 46 N -3.19 1.99 0.28 -0.61 -4.36 -0.08 -5.03 121.20 110.21 2wv0 s ILE 46 Ca 0.20 -2.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.19 2wv0 s ILE 46 Cb -0.09 -2.78 -0.10 0.00 1.25 0.00 0.00 42.46 40.74 2wv0 s ILE 46 CO 0.42 -0.12 1.47 -0.55 0.24 0.00 0.00 174.94 176.40 2wv0 s SER 47 N -3.62 6.56 0.47 4.36 0.15 -1.26 -4.51 113.70 115.85 2wv0 s SER 47 Ca 0.33 2.78 0.13 0.00 0.70 0.00 0.00 55.95 59.89 2wv0 s SER 47 Cb 0.06 -2.63 1.10 0.00 -1.71 0.00 0.00 66.02 62.83 2wv0 s SER 47 CO 0.16 -0.75 2.10 0.08 1.20 0.00 0.00 173.24 176.03 2wv0 h ARG 48 N 4.58 0.18 0.00 5.44 -0.00 -1.92 -1.92 114.38 120.74 2wv0 h ARG 48 Ca -0.47 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.43 2wv0 h ARG 48 Cb 1.22 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.14 2wv0 h ARG 48 CO 0.75 0.15 -0.29 0.52 -0.00 0.00 0.00 179.97 181.10 2wv0 h MET 49 N 0.19 0.00 -0.26 0.08 2.86 -1.95 0.12 114.93 115.97 2wv0 h MET 49 Ca 0.05 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 2wv0 h MET 49 Cb 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2wv0 h MET 49 CO -0.01 0.29 -0.33 1.15 1.06 0.00 0.00 176.91 179.07 2wv0 h THR 50 N 0.00 1.31 -0.56 2.22 2.02 -1.73 -0.97 112.91 115.21 2wv0 h THR 50 Ca -0.00 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 65.62 2wv0 h THR 50 Cb 0.52 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2wv0 h THR 50 CO 0.04 0.48 0.17 0.58 0.37 0.00 0.00 175.52 177.16 2wv0 h VAL 51 N 0.40 1.24 -0.80 3.16 2.07 -1.39 -2.21 116.25 118.71 2wv0 h VAL 51 Ca 0.03 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.80 2wv0 h VAL 51 Cb 0.91 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2wv0 h VAL 51 CO 0.08 0.30 0.49 -0.09 0.02 0.00 0.00 177.57 178.37 2wv0 h ARG 52 N 0.77 0.89 -0.41 1.57 2.43 -0.66 0.47 114.38 119.44 2wv0 h ARG 52 Ca 0.18 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2wv0 h ARG 52 Cb 0.28 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2wv0 h ARG 52 CO -0.01 0.59 -0.07 0.37 -1.51 0.00 0.00 179.97 179.34 2wv0 h GLN 53 N 0.92 0.69 0.15 0.20 5.75 -1.00 -0.54 115.11 121.29 2wv0 h GLN 53 Ca 0.34 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2wv0 h GLN 53 Cb 0.12 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.60 2wv0 h GLN 53 CO -0.16 0.76 -0.07 0.00 -2.65 0.00 0.00 178.83 176.71 2wv0 h ALA 54 N 1.28 -0.21 -0.51 3.38 0.00 -0.75 -2.41 119.26 120.05 2wv0 h ALA 54 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2wv0 h ALA 54 Cb 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wv0 h ALA 54 CO 0.03 -0.49 -0.17 -0.07 0.00 0.00 0.00 179.25 178.54 2wv0 h LEU 55 N -0.45 1.03 -0.05 0.00 3.38 -0.88 -2.41 115.31 115.93 2wv0 h LEU 55 Ca -0.02 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2wv0 h LEU 55 Cb 0.35 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wv0 h LEU 55 CO 0.03 1.17 0.02 -1.28 0.09 0.00 0.00 178.44 178.47 2wv0 h SER 56 N 0.87 0.03 -0.76 -0.43 0.87 -1.17 -0.55 113.55 112.42 2wv0 h SER 56 Ca 0.12 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2wv0 h SER 56 Cb 0.75 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 2wv0 h SER 56 CO 0.06 0.02 0.47 0.78 -0.53 0.00 0.00 176.83 177.63 2wv0 h ASN 57 N 0.05 0.92 -0.29 6.23 2.35 -1.36 -0.27 115.58 123.19 2wv0 h ASN 57 Ca 0.02 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 2wv0 h ASN 57 Cb 0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2wv0 h ASN 57 CO -0.02 0.70 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.25 2wv0 h LEU 58 N 1.06 0.73 -0.26 1.61 4.07 -1.23 -2.04 115.31 119.24 2wv0 h LEU 58 Ca 0.28 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2wv0 h LEU 58 Cb -0.05 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 2wv0 h LEU 58 CO -0.05 0.89 0.14 0.58 -1.08 0.00 0.00 178.44 178.91 2wv0 h VAL 59 N 0.66 1.13 0.00 1.22 2.07 -0.16 -1.42 116.25 119.76 2wv0 h VAL 59 Ca 0.11 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2wv0 h VAL 59 Cb 0.62 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2wv0 h VAL 59 CO 0.04 0.13 -0.16 0.78 0.02 0.00 0.00 177.57 178.39 2wv0 h ASN 60 N 0.30 0.00 0.78 0.57 2.35 -0.88 0.11 115.58 118.81 2wv0 h ASN 60 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2wv0 h ASN 60 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2wv0 h ASN 60 CO -0.01 0.16 0.00 -0.62 -1.65 0.00 0.00 177.43 175.30 2wv0 n GLU 61 N -3.63 0.21 -1.04 0.81 1.02 -0.79 -4.92 120.64 112.30 2wv0 n GLU 61 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 2wv0 n GLU 61 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 2wv0 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wv0 n GLY 62 N 1.37 0.50 0.09 0.62 0.00 0.38 -4.92 105.19 103.23 2wv0 n GLY 62 Ca 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 2wv0 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wv0 n LEU 63 N -0.17 0.85 -4.31 0.99 4.77 -0.55 -4.63 117.00 113.95 2wv0 n LEU 63 Ca -0.01 0.38 -0.17 0.00 -0.03 0.00 0.00 56.01 56.18 2wv0 n LEU 63 Cb 0.05 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 2wv0 n LEU 63 CO 0.02 0.17 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.09 2wv0 s LEU 64 N -5.80 2.46 0.21 2.23 1.43 -1.15 -1.58 118.68 116.48 2wv0 s LEU 64 Ca -0.03 -1.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.04 2wv0 s LEU 64 Cb 0.09 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 2wv0 s LEU 64 CO 0.81 -0.32 -0.05 -0.72 0.23 0.00 0.00 176.35 176.30 2wv0 s TYR 65 N -3.21 1.52 0.03 0.29 -0.85 0.98 -4.38 117.35 111.74 2wv0 s TYR 65 Ca 0.22 -0.81 0.08 0.00 -0.52 0.00 0.00 57.07 56.04 2wv0 s TYR 65 Cb 0.02 -0.83 -0.03 0.00 0.38 0.00 0.00 41.96 41.51 2wv0 s TYR 65 CO 0.05 0.07 -0.24 0.50 -1.52 0.00 0.00 175.55 174.42 2wv0 s ARG 66 N -3.79 1.67 -0.23 -3.49 3.52 -1.26 -0.99 118.95 114.37 2wv0 s ARG 66 Ca 0.24 -1.00 -0.02 0.00 -0.13 0.00 0.00 55.73 54.82 2wv0 s ARG 66 Cb 0.04 -1.78 0.01 0.00 -1.56 0.00 0.00 34.95 31.67 2wv0 s ARG 66 CO 0.06 0.46 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.44 2wv0 s LEU 67 N -1.08 3.01 -0.37 -0.88 1.02 -0.88 -5.01 118.68 114.48 2wv0 s LEU 67 Ca 0.10 -0.69 -0.38 0.00 0.02 0.00 0.00 54.13 53.17 2wv0 s LEU 67 Cb -0.09 -1.67 -0.14 0.00 0.02 0.00 0.00 46.19 44.30 2wv0 s LEU 67 CO 0.01 -0.08 2.11 2.29 0.02 0.00 0.00 176.35 180.70 2wv0 n LYS 68 N 4.71 0.83 -0.71 1.70 0.00 -1.26 -0.12 118.16 123.31 2wv0 n LYS 68 Ca -0.17 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2wv0 n LYS 68 Cb 0.49 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 2wv0 n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wv0 n GLY 69 N 6.41 0.81 0.33 2.58 0.00 -1.26 -4.92 105.19 109.14 2wv0 n GLY 69 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2wv0 n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wv0 n ARG 70 N -2.16 0.00 -3.69 1.61 -4.01 0.82 -5.17 116.66 104.06 2wv0 n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wv0 n ARG 70 Cb 0.00 -0.29 0.00 0.00 -3.04 0.00 0.00 32.46 29.13 2wv0 n ARG 70 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2wv0 n GLY 71 N 2.29 -0.61 3.63 2.89 0.00 -1.17 -5.01 105.19 107.21 2wv0 n GLY 71 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2wv0 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wv0 s THR 72 N -3.00 3.91 0.11 2.61 2.01 -1.26 -2.07 115.64 117.94 2wv0 s THR 72 Ca 0.00 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 2wv0 s THR 72 Cb 0.00 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 2wv0 s THR 72 CO 0.00 0.46 0.14 -0.36 -0.69 0.00 0.00 174.62 174.17 2wv0 s PHE 73 N -0.97 0.42 -0.32 4.92 0.08 -0.17 -0.47 117.98 121.47 2wv0 s PHE 73 Ca 0.16 -0.86 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 2wv0 s PHE 73 Cb -0.11 -0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 2wv0 s PHE 73 CO 0.06 -0.54 0.76 0.08 -0.10 0.00 0.00 175.22 175.48 2wv0 s VAL 74 N -3.93 4.80 0.16 -0.44 1.01 -1.26 -0.01 120.40 120.73 2wv0 s VAL 74 Ca 0.12 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2wv0 s VAL 74 Cb 0.06 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2wv0 s VAL 74 CO -0.06 -0.28 0.69 -0.55 0.00 0.00 0.00 175.10 174.90 2wv0 s SER 75 N 1.68 7.15 -0.18 3.32 0.15 -0.61 -2.55 113.70 122.66 2wv0 s SER 75 Ca 0.31 1.43 -0.13 0.00 0.70 0.00 0.00 55.95 58.26 2wv0 s SER 75 Cb -0.14 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2wv0 s SER 75 CO 0.13 0.16 0.25 -0.54 1.20 0.00 0.00 173.24 174.44 2wv0 s LYS 76 N -1.49 4.23 -0.32 5.44 -0.14 -1.26 -4.82 119.74 121.38 2wv0 s LYS 76 Ca 0.37 -0.00 -0.12 0.00 -1.36 0.00 0.00 55.97 54.86 2wv0 s LYS 76 Cb -0.19 -3.43 -0.02 0.00 -1.68 0.00 0.00 37.83 32.51 2wv0 s LYS 76 CO 0.22 0.24 0.20 -1.25 -0.76 0.00 0.00 175.35 174.00 2wv0 s PRO 77 N 0.49 3.50 -0.02 -1.68 0.04 -1.26 -5.03 135.00 131.03 2wv0 s PRO 77 Ca 0.14 -0.63 -0.32 0.00 0.04 0.00 0.00 61.00 60.23 2wv0 s PRO 77 Cb -0.12 -3.71 -0.16 0.00 0.04 0.00 0.00 34.50 30.55 2wv0 s PRO 77 CO 0.02 -0.40 0.86 0.36 0.04 0.00 0.00 177.00 177.88 2wv0 n LYS 78 N 5.06 0.00 0.00 4.56 2.85 -1.26 -4.88 118.16 124.48 2wv0 n LYS 78 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 2wv0 n LYS 78 Cb 0.50 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 2wv0 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wv0 n MET 79 N 1.29 4.38 0.05 -1.58 0.00 -1.26 -4.74 117.12 115.25 2wv0 n MET 79 Ca 0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 57.70 57.57 2wv0 n MET 79 Cb 0.06 -0.63 -0.09 0.00 0.00 0.00 0.00 33.22 32.56 2wv0 n MET 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2wv0 h GLU 80 N 0.00 -0.61 0.01 3.17 4.81 -1.98 0.22 114.58 120.19 2wv0 h GLU 80 Ca 0.00 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2wv0 h GLU 80 Cb 0.01 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2wv0 h GLU 80 CO 0.00 -0.41 -0.04 0.37 -0.73 0.00 0.00 179.01 178.20 2wv0 h GLN 81 N -0.64 -0.07 -0.89 1.92 5.75 -1.92 0.20 115.11 119.46 2wv0 h GLN 81 Ca 0.03 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.63 2wv0 h GLN 81 Cb 0.70 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.19 2wv0 h GLN 81 CO -0.36 -0.05 0.53 0.00 -2.65 0.00 0.00 178.83 176.30 2wv0 h ALA 82 N 0.91 1.29 0.00 3.38 0.00 -1.79 0.48 119.26 123.53 2wv0 h ALA 82 Ca 0.01 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 2wv0 h ALA 82 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2wv0 h ALA 82 CO -0.03 0.16 -2.19 1.28 0.00 0.00 0.00 179.25 178.46 2wv0 n LEU 83 N -4.69 0.00 0.00 0.00 4.77 0.04 -4.58 117.00 112.54 2wv0 n LEU 83 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2wv0 n LEU 83 Cb 0.29 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2wv0 n LEU 83 CO 0.27 0.32 0.17 0.00 -1.33 0.00 0.00 177.39 176.82 2wv0 n GLN 84 N -2.55 1.38 0.00 3.23 6.02 0.67 -1.89 117.38 124.25 2wv0 n GLN 84 Ca -0.22 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 2wv0 n GLN 84 Cb 0.93 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 31.36 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 0.29 5.39 3.18 1.08 0.00 0.17 -4.94 105.19 110.37 2wv0 n GLY 85 Ca 0.00 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 2.02 0.04 0.99 2.96 -1.21 -4.82 118.68 118.66 2wv0 s LEU 86 Ca 0.00 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.46 2wv0 s LEU 86 Cb 0.00 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 2wv0 s LEU 86 CO 0.00 0.13 -0.18 0.42 -1.32 0.00 0.00 176.35 175.40 2wv0 s THR 87 N 0.46 2.80 1.06 3.68 -4.23 -1.26 -4.88 115.64 113.27 2wv0 s THR 87 Ca -0.17 -1.19 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 2wv0 s THR 87 Cb -0.17 -2.18 0.22 0.00 1.34 0.00 0.00 72.50 71.71 2wv0 s THR 87 CO 0.07 0.33 1.08 -0.94 -0.54 0.00 0.00 174.62 174.62 2wv0 s SER 88 N -1.46 2.03 0.13 3.99 1.04 -1.26 -4.83 113.70 113.34 2wv0 s SER 88 Ca 0.15 1.14 -0.16 0.00 0.48 0.00 0.00 55.95 57.56 2wv0 s SER 88 Cb -0.10 -1.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.23 2wv0 s SER 88 CO 0.05 -3.50 1.69 0.15 0.98 0.00 0.00 173.24 172.61 2wv0 h PHE 89 N -2.14 0.59 -0.53 5.02 3.04 -2.00 -0.75 116.94 120.16 2wv0 h PHE 89 Ca -0.55 -0.04 0.11 0.00 3.98 0.00 0.00 57.97 61.47 2wv0 h PHE 89 Cb 1.33 -0.18 -0.11 0.00 2.56 0.00 0.00 35.95 39.56 2wv0 h PHE 89 CO -0.04 0.52 -0.22 1.15 -2.02 0.00 0.00 178.31 177.70 2wv0 h THR 90 N 0.49 0.33 -0.00 4.41 2.02 -1.95 -1.01 112.91 117.19 2wv0 h THR 90 Ca 0.13 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.12 2wv0 h THR 90 Cb 0.17 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2wv0 h THR 90 CO -0.01 0.00 -0.85 -0.33 0.37 0.00 0.00 175.52 174.70 2wv0 h GLU 91 N -0.09 0.19 0.02 6.66 5.08 -1.90 -2.72 114.58 121.82 2wv0 h GLU 91 Ca 0.25 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2wv0 h GLU 91 Cb 0.48 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2wv0 h GLU 91 CO -0.60 0.93 -0.01 0.22 -1.00 0.00 0.00 179.01 178.55 2wv0 h ASP 92 N 0.11 -0.03 -0.45 1.42 3.58 -0.77 -1.60 116.42 118.68 2wv0 h ASP 92 Ca -0.04 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2wv0 h ASP 92 Cb 1.47 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.50 2wv0 h ASP 92 CO 0.13 0.11 0.30 0.24 -2.88 0.00 0.00 179.24 177.14 2wv0 h MET 93 N -0.16 0.59 -0.66 0.28 2.86 -1.19 -2.62 114.93 114.02 2wv0 h MET 93 Ca -0.00 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2wv0 h MET 93 Cb 0.15 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 2wv0 h MET 93 CO 0.01 0.39 0.28 0.87 1.06 0.00 0.00 176.91 179.52 2wv0 h LYS 94 N 0.61 0.46 0.00 1.72 6.56 -1.41 -0.92 116.57 123.58 2wv0 h LYS 94 Ca 0.16 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2wv0 h LYS 94 Cb -0.07 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.49 2wv0 h LYS 94 CO -0.04 0.31 -0.01 0.66 -2.06 0.00 0.00 179.45 178.31 2wv0 h SER 95 N 0.48 0.00 -0.68 0.86 4.64 -0.91 0.15 113.55 118.09 2wv0 h SER 95 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2wv0 h SER 95 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2wv0 h SER 95 CO -0.31 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.20 2wv0 n ARG 96 N -3.38 2.67 -1.88 4.77 1.74 -0.46 -4.92 116.66 115.19 2wv0 n ARG 96 Ca -0.03 -2.58 -0.13 0.00 -0.77 0.00 0.00 57.85 54.35 2wv0 n ARG 96 Cb 0.11 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 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 1.64 0.46 3.59 -0.13 0.00 0.53 -5.04 105.19 106.24 2wv0 n GLY 97 Ca 0.24 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.99 2.13 -0.38 1.61 -1.94 -0.55 -5.00 119.30 111.18 2wv0 s MET 98 Ca 0.00 -1.41 -0.18 0.00 -1.71 0.00 0.00 55.69 52.39 2wv0 s MET 98 Cb 0.00 -2.11 0.00 0.00 2.01 0.00 0.00 34.83 34.74 2wv0 s MET 98 CO 0.00 0.38 0.51 0.99 -0.01 0.00 0.00 175.02 176.89 2wv0 s THR 99 N -2.13 5.01 0.47 2.05 2.01 -1.26 -3.40 115.64 118.39 2wv0 s THR 99 Ca 0.29 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 2wv0 s THR 99 Cb -0.07 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 2wv0 s THR 99 CO 0.18 -0.30 1.04 -2.16 -0.69 0.00 0.00 174.62 172.68 2wv0 s PRO 100 N 2.39 3.87 0.32 4.92 0.04 -1.26 -0.85 135.00 144.42 2wv0 s PRO 100 Ca 0.18 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 2wv0 s PRO 100 Cb -0.16 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.25 2wv0 s PRO 100 CO 0.14 -0.37 0.66 0.20 0.04 0.00 0.00 177.00 177.66 2wv0 s GLY 101 N -1.93 0.42 0.00 0.56 0.00 -0.48 -4.94 107.32 100.96 2wv0 s GLY 101 Ca 0.66 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 2wv0 s GLY 101 CO 0.21 -0.41 0.04 -0.56 0.00 0.00 0.00 173.10 172.38 2wv0 s SER 102 N -3.04 0.08 -0.13 1.64 0.01 -1.26 -0.11 113.70 110.90 2wv0 s SER 102 Ca 0.18 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.26 2wv0 s SER 102 Cb -0.04 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.34 2wv0 s SER 102 CO 0.11 -0.21 -0.20 -0.60 0.41 0.00 0.00 173.24 172.75 2wv0 s ARG 103 N -0.89 2.72 0.17 12.44 3.52 -0.48 -4.74 118.95 131.69 2wv0 s ARG 103 Ca -0.10 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 2wv0 s ARG 103 Cb -0.06 -2.22 -0.08 0.00 -1.56 0.00 0.00 34.95 31.04 2wv0 s ARG 103 CO -0.00 -0.02 1.12 -1.17 -0.81 0.00 0.00 175.30 174.42 2wv0 s LEU 104 N 0.84 4.47 -0.26 -0.88 2.96 -1.26 -0.80 118.68 123.76 2wv0 s LEU 104 Ca -0.08 2.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 2wv0 s LEU 104 Cb -0.15 -3.60 -0.16 0.00 0.50 0.00 0.00 46.19 42.77 2wv0 s LEU 104 CO -0.01 -0.26 -0.23 -0.38 -1.32 0.00 0.00 176.35 174.14 2wv0 n ILE 105 N 2.47 1.46 -3.64 6.68 5.41 0.76 -4.86 119.36 127.64 2wv0 n ILE 105 Ca 0.03 -0.55 -0.09 0.00 1.00 0.00 0.00 62.75 63.14 2wv0 n ILE 105 Cb 0.46 -1.44 -0.07 0.00 -0.71 0.00 0.00 39.64 37.88 2wv0 n ILE 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2wv0 s ASP 106 N -6.54 -0.71 -0.02 4.38 2.15 -0.80 -5.01 116.67 110.13 2wv0 s ASP 106 Ca -0.35 1.25 0.06 0.00 0.43 0.00 0.00 52.55 53.95 2wv0 s ASP 106 Cb 0.09 1.28 -0.02 0.00 -0.30 0.00 0.00 42.92 43.98 2wv0 s ASP 106 CO 0.58 -0.21 -0.20 -0.47 -0.17 0.00 0.00 175.17 174.70 2wv0 s TYR 107 N 0.84 1.84 -0.17 -5.34 6.14 -1.26 -0.67 117.35 118.73 2wv0 s TYR 107 Ca -0.03 -0.35 -0.09 0.00 0.64 0.00 0.00 57.07 57.24 2wv0 s TYR 107 Cb -0.05 -1.19 0.07 0.00 0.42 0.00 0.00 41.96 41.21 2wv0 s TYR 107 CO -0.09 -0.04 0.41 -1.14 0.64 0.00 0.00 175.55 175.33 2wv0 s GLN 108 N -0.47 0.37 -0.32 4.97 0.74 -0.69 -5.02 119.66 119.24 2wv0 s GLN 108 Ca 0.08 0.83 -0.13 0.00 0.05 0.00 0.00 55.36 56.19 2wv0 s GLN 108 Cb -0.08 0.04 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 2wv0 s GLN 108 CO -0.01 -0.18 0.26 -1.17 -0.55 0.00 0.00 175.29 173.64 2wv0 s LEU 109 N 1.66 4.36 0.28 3.68 2.96 -1.26 -0.36 118.68 130.00 2wv0 s LEU 109 Ca -0.08 -0.25 0.11 0.00 -0.22 0.00 0.00 54.13 53.69 2wv0 s LEU 109 Cb -0.09 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 2wv0 s LEU 109 CO -0.13 -0.21 -0.10 0.27 -1.32 0.00 0.00 176.35 174.87 2wv0 s ILE 110 N 1.80 2.87 0.49 6.68 -4.36 -0.04 -4.94 121.20 123.70 2wv0 s ILE 110 Ca 0.08 -2.16 -0.21 0.00 -0.26 0.00 0.00 60.65 58.09 2wv0 s ILE 110 Cb -0.17 -2.58 -0.07 0.00 1.25 0.00 0.00 42.46 40.90 2wv0 s ILE 110 CO 0.11 -0.36 1.15 -1.81 0.24 0.00 0.00 174.94 174.27 2wv0 s ASP 111 N -3.60 5.99 0.37 4.36 -0.00 -1.26 -1.23 116.67 121.29 2wv0 s ASP 111 Ca 0.31 2.25 -0.27 0.00 -0.00 0.00 0.00 52.55 54.85 2wv0 s ASP 111 Cb -0.05 -2.59 -0.09 0.00 -0.00 0.00 0.00 42.92 40.19 2wv0 s ASP 111 CO 0.17 -1.04 1.22 -0.44 -0.00 0.00 0.00 175.17 175.08 2wv0 s SER 112 N -1.53 6.66 0.18 0.27 0.01 -0.03 -4.81 113.70 114.45 2wv0 s SER 112 Ca 0.67 2.48 0.06 0.00 1.31 0.00 0.00 55.95 60.48 2wv0 s SER 112 Cb -0.27 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.30 2wv0 s SER 112 CO 0.31 -0.59 0.09 0.42 0.41 0.00 0.00 173.24 173.88 2wv0 s THR 113 N -1.28 4.18 0.25 1.44 -4.23 -1.26 -4.81 115.64 109.94 2wv0 s THR 113 Ca 0.53 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 2wv0 s THR 113 Cb -0.35 -3.14 0.24 0.00 1.34 0.00 0.00 72.50 70.59 2wv0 s THR 113 CO 0.45 -0.15 1.84 -0.33 -0.54 0.00 0.00 174.62 175.89 2wv0 h GLU 114 N 2.39 0.94 -0.56 3.99 5.08 -1.97 0.16 114.58 124.61 2wv0 h GLU 114 Ca -0.47 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 2wv0 h GLU 114 Cb 1.21 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2wv0 h GLU 114 CO 0.61 0.62 0.22 1.49 -1.00 0.00 0.00 179.01 180.95 2wv0 h GLU 115 N 0.96 0.83 -0.31 2.33 4.81 -1.99 -0.76 114.58 120.47 2wv0 h GLU 115 Ca 0.42 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2wv0 h GLU 115 Cb 0.29 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2wv0 h GLU 115 CO -0.21 0.72 -0.24 1.25 -0.73 0.00 0.00 179.01 179.81 2wv0 h LEU 116 N 0.76 0.74 -1.22 1.64 5.85 -1.79 -0.95 115.31 120.35 2wv0 h LEU 116 Ca 0.19 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2wv0 h LEU 116 Cb 0.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2wv0 h LEU 116 CO -0.02 1.03 0.28 0.00 -0.34 0.00 0.00 178.44 179.40 2wv0 h ALA 117 N 0.73 1.40 -0.50 1.25 0.00 -0.67 -1.31 119.26 120.16 2wv0 h ALA 117 Ca 0.06 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2wv0 h ALA 117 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2wv0 h ALA 117 CO 0.06 0.48 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 2wv0 h ALA 118 N 1.49 0.72 -0.31 0.00 0.00 -0.84 0.21 119.26 120.52 2wv0 h ALA 118 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2wv0 h ALA 118 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wv0 h ALA 118 CO -0.03 0.68 0.09 0.82 0.00 0.00 0.00 179.25 180.81 2wv0 h ILE 119 N 0.88 1.21 0.00 0.00 2.04 -0.93 -3.24 117.51 117.46 2wv0 h ILE 119 Ca 0.12 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2wv0 h ILE 119 Cb 0.76 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2wv0 h ILE 119 CO 0.06 0.23 -0.44 -0.07 0.00 0.00 0.00 178.15 177.93 2wv0 h LEU 120 N 0.34 0.00 0.96 1.44 4.07 -1.23 -3.48 115.31 117.42 2wv0 h LEU 120 Ca 0.10 -0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.71 2wv0 h LEU 120 Cb 0.26 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.87 2wv0 h LEU 120 CO -0.00 0.00 -0.33 0.61 -1.08 0.00 0.00 178.44 177.65 2wv0 n GLY 121 N 1.14 1.49 0.00 0.83 0.00 0.70 -4.18 105.19 105.17 2wv0 n GLY 121 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.83 2.62 -0.20 0.00 0.00 -1.26 -4.82 107.32 101.83 2wv0 s GLY 123 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.92 2wv0 s GLY 123 CO 0.00 0.58 0.01 -1.58 0.00 0.00 0.00 173.10 172.11 2wv0 s HIS 124 N -1.58 1.43 0.25 1.90 2.46 -1.26 -3.40 115.29 115.09 2wv0 s HIS 124 Ca 0.45 -1.11 -0.09 0.00 0.47 0.00 0.00 55.06 54.78 2wv0 s HIS 124 Cb -0.16 -1.19 -0.07 0.00 -0.13 0.00 0.00 32.58 31.03 2wv0 s HIS 124 CO 0.21 -0.65 0.57 -1.25 -2.47 0.00 0.00 174.74 171.14 2wv0 s PRO 125 N 1.72 3.79 0.36 2.88 0.04 -1.26 -5.15 135.00 137.39 2wv0 s PRO 125 Ca -0.02 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.12 2wv0 s PRO 125 Cb -0.17 -2.63 0.05 0.00 0.04 0.00 0.00 34.50 31.79 2wv0 s PRO 125 CO -0.07 0.28 0.78 -1.54 0.04 0.00 0.00 177.00 176.49 2wv0 s SER 126 N -2.48 -0.05 -0.13 6.66 1.04 -1.22 -4.99 113.70 112.53 2wv0 s SER 126 Ca 0.47 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 2wv0 s SER 126 Cb -0.11 0.82 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 2wv0 s SER 126 CO 0.22 -1.61 0.20 -0.44 0.98 0.00 0.00 173.24 172.59 2wv0 s SER 127 N -3.04 6.40 -0.06 7.02 0.01 -1.26 -0.85 113.70 121.92 2wv0 s SER 127 Ca 0.14 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.90 2wv0 s SER 127 Cb -0.05 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 64.07 2wv0 s SER 127 CO 0.10 0.27 -0.11 -0.63 0.41 0.00 0.00 173.24 173.29 2wv0 s ILE 128 N -0.35 1.04 0.26 1.44 1.01 -0.36 -0.66 121.20 123.57 2wv0 s ILE 128 Ca 0.14 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 2wv0 s ILE 128 Cb -0.13 -0.96 -0.10 0.00 0.01 0.00 0.00 42.46 41.29 2wv0 s ILE 128 CO 0.03 0.33 1.29 -1.00 0.00 0.00 0.00 174.94 175.60 2wv0 s HIS 129 N 0.70 3.21 -0.22 3.97 3.76 0.77 -0.86 115.29 126.62 2wv0 s HIS 129 Ca -0.14 1.35 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 2wv0 s HIS 129 Cb -0.16 -3.60 0.05 0.00 1.11 0.00 0.00 32.58 29.98 2wv0 s HIS 129 CO 0.03 -1.74 -0.08 0.21 -0.85 0.00 0.00 174.74 172.32 2wv0 s LYS 130 N -0.93 1.85 -0.23 1.40 2.20 0.51 -1.56 119.74 122.98 2wv0 s LYS 130 Ca 0.52 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 2wv0 s LYS 130 Cb -0.37 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2wv0 s LYS 130 CO 0.44 -0.51 -0.10 0.42 -0.36 0.00 0.00 175.35 175.24 2wv0 s ILE 131 N 1.39 2.63 -0.22 5.43 1.01 -0.55 -1.70 121.20 129.19 2wv0 s ILE 131 Ca -0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 2wv0 s ILE 131 Cb -0.17 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 2wv0 s ILE 131 CO -0.07 0.30 -0.04 -0.89 0.00 0.00 0.00 174.94 174.24 2wv0 s THR 132 N 1.31 3.34 0.04 2.92 2.01 0.16 -1.39 115.64 124.02 2wv0 s THR 132 Ca 0.01 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2wv0 s THR 132 Cb -0.16 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2wv0 s THR 132 CO -0.07 0.40 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.00 2wv0 s ARG 133 N 1.47 0.85 -0.13 4.92 0.52 -0.35 -0.17 118.95 126.05 2wv0 s ARG 133 Ca 0.05 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.26 2wv0 s ARG 133 Cb -0.14 -0.82 -0.01 0.00 0.52 0.00 0.00 34.95 34.49 2wv0 s ARG 133 CO -0.03 0.20 0.96 0.08 0.02 0.00 0.00 175.30 176.53 2wv0 s VAL 134 N -0.87 4.80 -0.18 3.52 1.01 0.02 -0.53 120.40 128.18 2wv0 s VAL 134 Ca 0.00 1.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.76 2wv0 s VAL 134 Cb -0.08 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2wv0 s VAL 134 CO 0.01 0.00 0.39 -0.13 0.00 0.00 0.00 175.10 175.37 2wv0 s ARG 135 N 2.11 4.22 -0.03 2.72 1.81 0.98 -1.38 118.95 129.38 2wv0 s ARG 135 Ca 0.45 0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.70 2wv0 s ARG 135 Cb -0.18 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.79 2wv0 s ARG 135 CO 0.16 0.05 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.30 2wv0 s LEU 136 N 1.04 3.47 -0.11 2.53 1.02 0.85 0.33 118.68 127.81 2wv0 s LEU 136 Ca 0.20 0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.37 2wv0 s LEU 136 Cb -0.14 -1.92 0.02 0.00 0.02 0.00 0.00 46.19 44.16 2wv0 s LEU 136 CO 0.08 0.31 -0.12 0.00 0.02 0.00 0.00 176.35 176.64 2wv0 s ALA 137 N -1.00 1.51 -1.46 4.21 0.00 -0.20 -1.38 121.76 123.44 2wv0 s ALA 137 Ca 0.17 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 2wv0 s ALA 137 Cb -0.11 -0.84 0.06 0.00 0.00 0.00 0.00 23.12 22.23 2wv0 s ALA 137 CO 0.07 -0.20 0.78 0.09 0.00 0.00 0.00 175.76 176.51 2wv0 n ASN 138 N 4.45 -4.90 -0.31 0.00 3.02 -0.03 -2.12 115.26 115.38 2wv0 n ASN 138 Ca -0.17 -0.55 -0.04 0.00 -0.03 0.00 0.00 54.58 53.79 2wv0 n ASN 138 Cb 0.51 -3.95 -0.02 0.00 -0.61 0.00 0.00 39.78 35.71 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 -2.63 -4.26 -4.07 6.41 8.00 -1.26 -4.99 116.55 113.75 2wv0 n ASP 139 Ca -0.01 0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.31 2wv0 n ASP 139 Cb 0.55 -2.11 -0.17 0.00 -0.02 0.00 0.00 41.12 39.37 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 -1.89 1.49 0.20 0.53 1.01 -0.90 -5.08 121.20 116.56 2wv0 s ILE 140 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 2wv0 s ILE 140 Cb 0.00 -1.34 -0.15 0.00 0.01 0.00 0.00 42.46 40.98 2wv0 s ILE 140 CO 0.00 0.44 1.13 -2.65 0.00 0.00 0.00 174.94 173.86 2wv0 n PRO 141 N 3.98 1.25 0.00 2.79 -0.02 -1.26 -1.03 135.00 140.71 2wv0 n PRO 141 Ca -0.20 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2wv0 n PRO 141 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 1.53 3.24 -3.46 -0.52 1.56 0.15 -4.76 117.12 114.86 2wv0 n MET 142 Ca 0.14 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.44 2wv0 n MET 142 Cb 0.27 -0.97 -0.03 0.00 2.15 0.00 0.00 33.22 34.64 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 -1.94 -1.69 -0.14 -5.12 0.00 -0.92 -1.95 121.76 110.00 2wv0 s ALA 143 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2wv0 s ALA 143 Cb 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 2wv0 s ALA 143 CO 0.00 -0.65 -0.14 0.42 0.00 0.00 0.00 175.76 175.39 2wv0 s ILE 144 N -2.98 2.82 -0.08 0.00 1.01 -0.39 -0.02 121.20 121.57 2wv0 s ILE 144 Ca -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2wv0 s ILE 144 Cb -0.01 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2wv0 s ILE 144 CO -0.07 0.52 -0.17 -0.70 0.00 0.00 0.00 174.94 174.52 2wv0 s GLU 145 N 0.60 2.18 -0.20 2.79 2.12 0.31 -1.38 118.70 125.12 2wv0 s GLU 145 Ca -0.08 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2wv0 s GLU 145 Cb -0.16 -1.73 0.02 0.00 0.26 0.00 0.00 34.13 32.52 2wv0 s GLU 145 CO 0.03 0.10 -0.17 0.45 -0.54 0.00 0.00 175.26 175.13 2wv0 s SER 146 N 0.50 3.47 -0.00 -1.70 0.15 0.61 -1.22 113.70 115.50 2wv0 s SER 146 Ca -0.15 -0.74 0.05 0.00 0.70 0.00 0.00 55.95 55.80 2wv0 s SER 146 Cb -0.16 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 2wv0 s SER 146 CO 0.05 -0.03 -0.15 -0.94 1.20 0.00 0.00 173.24 173.37 2wv0 s SER 147 N 1.28 1.77 -0.19 5.45 1.04 -0.49 -0.82 113.70 121.74 2wv0 s SER 147 Ca 0.03 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 2wv0 s SER 147 Cb -0.14 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2wv0 s SER 147 CO -0.11 0.17 0.04 -1.00 0.98 0.00 0.00 173.24 173.32 2wv0 s HIS 148 N -0.42 3.14 -0.07 5.02 3.76 0.64 -1.48 115.29 125.87 2wv0 s HIS 148 Ca 0.05 -0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2wv0 s HIS 148 Cb -0.06 -2.09 0.03 0.00 1.11 0.00 0.00 32.58 31.56 2wv0 s HIS 148 CO -0.00 -0.04 -0.03 0.42 -0.85 0.00 0.00 174.74 174.24 2wv0 s ILE 149 N 0.73 0.54 0.14 0.60 1.01 -0.60 -1.65 121.20 121.97 2wv0 s ILE 149 Ca 0.02 -0.03 -0.34 0.00 0.00 0.00 0.00 60.65 60.30 2wv0 s ILE 149 Cb -0.14 -0.64 -0.14 0.00 0.01 0.00 0.00 42.46 41.55 2wv0 s ILE 149 CO 0.02 0.27 1.55 -2.65 0.00 0.00 0.00 174.94 174.13 2wv0 n PRO 150 N 4.78 1.98 -0.14 2.79 -0.02 -1.26 -0.17 135.00 142.96 2wv0 n PRO 150 Ca -0.13 0.71 -0.05 0.00 -2.02 0.00 0.00 63.50 62.01 2wv0 n PRO 150 Cb 0.50 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.77 -0.60 -0.23 6.00 3.57 -1.23 -1.81 116.94 128.42 2wv0 h PHE 151 Ca -0.45 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.16 2wv0 h PHE 151 Cb 1.27 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 2wv0 h PHE 151 CO 0.63 -0.31 0.41 0.93 -2.23 0.00 0.00 178.31 177.74 2wv0 h GLU 152 N -0.14 0.00 -0.01 1.11 3.07 -1.91 0.25 114.58 116.96 2wv0 h GLU 152 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2wv0 h GLU 152 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2wv0 h GLU 152 CO -0.54 0.00 -0.46 1.28 -1.40 0.00 0.00 179.01 177.89 2wv0 n LEU 153 N -3.33 1.14 0.00 1.33 4.32 -0.68 -4.49 117.00 115.29 2wv0 n LEU 153 Ca 0.03 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 2wv0 n LEU 153 Cb 0.53 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 2wv0 n LEU 153 CO 0.21 0.23 -0.18 0.00 -1.22 0.00 0.00 177.39 176.43 2wv0 n ALA 154 N -0.80 1.64 0.00 -1.18 0.00 -0.04 -4.73 120.51 115.40 2wv0 n ALA 154 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wv0 n ALA 154 Cb 0.37 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.74 -1.32 3.75 0.00 0.00 0.69 -4.86 105.19 105.19 2wv0 n GLY 155 Ca 0.00 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 4.82 -0.05 1.61 2.02 -1.26 -4.94 118.70 120.90 2wv0 s GLU 156 Ca 0.00 1.46 0.06 0.00 0.02 0.00 0.00 54.97 56.51 2wv0 s GLU 156 Cb 0.00 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 2wv0 s GLU 156 CO 0.00 0.48 -0.24 -0.51 0.02 0.00 0.00 175.26 175.01 2wv0 s LEU 157 N -1.01 2.05 0.00 1.80 1.43 -1.26 -5.08 118.68 116.61 2wv0 s LEU 157 Ca 0.41 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2wv0 s LEU 157 Cb -0.25 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 2wv0 s LEU 157 CO 0.31 0.24 0.04 -0.46 0.23 0.00 0.00 176.35 176.71 2wv0 n ASN 158 N 2.91 1.35 0.28 2.29 0.23 -1.26 -5.03 115.26 116.03 2wv0 n ASN 158 Ca -0.17 -1.68 0.17 0.00 -0.53 0.00 0.00 54.58 52.37 2wv0 n ASN 158 Cb 0.52 0.27 0.83 0.00 -2.08 0.00 0.00 39.78 39.32 2wv0 n ASN 158 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2wv0 h GLU 159 N 0.00 0.00 -0.35 -3.83 -0.00 -2.00 -2.18 114.58 106.23 2wv0 h GLU 159 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.13 2wv0 h GLU 159 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.12 2wv0 h GLU 159 CO 0.17 0.06 -0.31 0.66 -0.00 0.00 0.00 179.01 179.59 2wv0 h SER 160 N 0.00 0.78 -0.18 3.06 4.64 -1.97 -1.38 113.55 118.49 2wv0 h SER 160 Ca -0.00 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2wv0 h SER 160 Cb 0.33 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2wv0 h SER 160 CO 0.01 1.03 0.04 0.45 -0.87 0.00 0.00 176.83 177.49 2wv0 h HIS 161 N 0.64 0.30 -0.36 4.77 3.86 -1.80 -3.22 115.15 119.34 2wv0 h HIS 161 Ca 0.07 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2wv0 h HIS 161 Cb 0.83 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2wv0 h HIS 161 CO 0.04 0.42 0.02 0.74 0.86 0.00 0.00 177.93 180.01 2wv0 h PHE 162 N 0.10 0.57 -0.13 2.45 0.04 -1.32 -2.31 116.94 116.34 2wv0 h PHE 162 Ca 0.06 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wv0 h PHE 162 Cb 0.27 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.25 2wv0 h PHE 162 CO 0.01 0.54 0.00 1.04 -0.60 0.00 0.00 178.31 179.30 2wv0 n GLN 163 N -4.29 1.52 0.00 1.51 3.00 -0.54 -4.71 117.38 113.88 2wv0 n GLN 163 Ca 0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.22 2wv0 n GLN 163 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.13 2wv0 n GLN 163 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2wv0 n SER 164 N 0.03 1.33 -4.57 1.08 7.64 -0.87 -4.50 113.62 113.75 2wv0 n SER 164 Ca 0.15 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.63 2wv0 n SER 164 Cb 0.25 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 2wv0 n SER 164 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2wv0 s SER 165 N 1.00 6.15 0.19 6.43 0.15 -1.26 -4.93 113.70 121.42 2wv0 s SER 165 Ca 0.00 -0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.53 2wv0 s SER 165 Cb 0.00 -2.18 0.09 0.00 -1.71 0.00 0.00 66.02 62.22 2wv0 s SER 165 CO 0.00 -0.21 1.60 0.40 1.20 0.00 0.00 173.24 176.23 2wv0 h ILE 166 N 5.45 1.27 -0.64 6.45 5.03 -1.94 -2.72 117.51 130.41 2wv0 h ILE 166 Ca -0.32 -1.30 0.12 0.00 -0.12 0.00 0.00 64.86 63.24 2wv0 h ILE 166 Cb 1.16 1.06 -0.09 0.00 -3.03 0.00 0.00 36.82 35.92 2wv0 h ILE 166 CO 0.64 0.45 0.18 1.88 -0.68 0.00 0.00 178.15 180.62 2wv0 h TYR 167 N 0.83 0.30 -0.13 1.37 0.99 -1.98 0.39 116.97 118.74 2wv0 h TYR 167 Ca 0.12 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 2wv0 h TYR 167 Cb 0.71 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.40 2wv0 h TYR 167 CO 0.04 0.01 0.07 -0.44 -0.00 0.00 0.00 178.16 177.84 2wv0 h ASP 168 N 0.32 0.16 -0.73 3.88 3.32 -1.95 -1.79 116.42 119.63 2wv0 h ASP 168 Ca 0.34 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.41 2wv0 h ASP 168 Cb 0.50 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 2wv0 h ASP 168 CO -0.39 0.21 0.34 -0.74 -1.72 0.00 0.00 179.24 176.94 2wv0 h HIS 169 N 0.11 0.60 -0.23 4.55 -0.00 -1.11 -1.45 115.15 117.62 2wv0 h HIS 169 Ca 0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2wv0 h HIS 169 Cb 0.08 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2wv0 h HIS 169 CO -0.04 0.17 0.05 0.82 -0.00 0.00 0.00 177.93 178.93 2wv0 h ILE 170 N 0.55 1.22 -0.89 6.26 1.08 -0.56 0.21 117.51 125.37 2wv0 h ILE 170 Ca 0.38 -0.71 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2wv0 h ILE 170 Cb 0.47 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 2wv0 h ILE 170 CO -0.32 0.23 0.55 -0.33 -0.69 0.00 0.00 178.15 177.59 2wv0 h GLU 171 N 0.20 1.20 -0.09 2.37 5.08 -1.18 -2.31 114.58 119.84 2wv0 h GLU 171 Ca 0.07 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2wv0 h GLU 171 Cb 0.29 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wv0 h GLU 171 CO 0.00 0.83 -0.02 0.00 -1.00 0.00 0.00 179.01 178.83 2wv0 h ARG 172 N 1.22 0.18 -0.63 2.33 3.08 -0.90 -1.61 114.38 118.05 2wv0 h ARG 172 Ca 0.32 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 2wv0 h ARG 172 Cb -0.07 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2wv0 h ARG 172 CO -0.06 0.48 0.26 -0.92 -1.07 0.00 0.00 179.97 178.66 2wv0 h TYR 173 N -0.14 0.94 0.00 3.04 5.03 -0.56 -3.15 116.97 122.14 2wv0 h TYR 173 Ca 0.02 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.27 2wv0 h TYR 173 Cb 0.41 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2wv0 h TYR 173 CO 0.05 0.74 -0.92 0.09 -1.32 0.00 0.00 178.16 176.80 2wv0 n ASN 174 N -4.45 0.65 -3.86 -2.11 3.02 -0.88 -4.97 115.26 102.66 2wv0 n ASN 174 Ca 0.04 -0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 53.97 2wv0 n ASN 174 Cb 0.16 0.72 0.03 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.80 -3.62 -3.75 6.41 7.64 -0.61 -4.99 113.62 112.90 2wv0 n SER 175 Ca 0.03 -0.80 -0.12 0.00 1.01 0.00 0.00 58.87 58.99 2wv0 n SER 175 Cb 0.40 -3.91 -0.12 0.00 -1.01 0.00 0.00 64.21 59.57 2wv0 n SER 175 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wv0 s ILE 176 N -3.43 -0.02 0.74 0.44 1.01 -1.20 -5.08 121.20 113.66 2wv0 s ILE 176 Ca 0.45 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 2wv0 s ILE 176 Cb -0.23 -0.40 0.04 0.00 0.01 0.00 0.00 42.46 41.89 2wv0 s ILE 176 CO 0.83 0.03 1.12 -2.84 0.00 0.00 0.00 174.94 174.08 2wv0 s PRO 177 N 0.77 2.31 0.13 2.79 0.02 -1.26 -4.43 135.00 135.32 2wv0 s PRO 177 Ca -0.05 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 2wv0 s PRO 177 Cb -0.06 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 2wv0 s PRO 177 CO -0.05 -1.63 1.05 0.42 -0.33 0.00 0.00 177.00 176.46 2wv0 s ILE 178 N -2.54 4.19 -0.18 2.83 1.01 -1.26 -0.94 121.20 124.31 2wv0 s ILE 178 Ca 0.66 1.79 -0.11 0.00 0.00 0.00 0.00 60.65 62.99 2wv0 s ILE 178 Cb -0.21 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 2wv0 s ILE 178 CO 0.49 0.26 -0.26 -0.24 0.00 0.00 0.00 174.94 175.20 2wv0 n SER 179 N 2.83 1.50 -3.76 3.58 2.88 -0.15 -4.76 113.62 115.74 2wv0 n SER 179 Ca 0.04 0.25 -0.04 0.00 -1.33 0.00 0.00 58.87 57.79 2wv0 n SER 179 Cb 0.48 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 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 -2.44 1.21 0.01 -1.46 1.70 -1.21 -5.00 118.95 111.76 2wv0 s ARG 180 Ca -0.26 -0.67 -0.08 0.00 -0.47 0.00 0.00 55.73 54.25 2wv0 s ARG 180 Cb 0.09 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 2wv0 s ARG 180 CO 0.34 -0.56 0.15 0.00 -1.08 0.00 0.00 175.30 174.15 2wv0 s ALA 181 N -3.31 -0.31 -0.18 7.88 0.00 -1.26 -0.06 121.76 124.52 2wv0 s ALA 181 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2wv0 s ALA 181 Cb -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2wv0 s ALA 181 CO 0.02 -0.25 0.11 0.21 0.00 0.00 0.00 175.76 175.85 2wv0 s LYS 182 N -1.75 4.00 -0.03 0.00 2.20 -0.47 -4.98 119.74 118.71 2wv0 s LYS 182 Ca -0.12 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 2wv0 s LYS 182 Cb -0.06 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2wv0 s LYS 182 CO -0.00 0.37 -0.14 -1.14 -0.36 0.00 0.00 175.35 174.08 2wv0 s GLN 183 N 0.14 1.33 -0.06 4.03 0.74 -1.26 -1.83 119.66 122.75 2wv0 s GLN 183 Ca 0.08 -0.48 0.05 0.00 0.05 0.00 0.00 55.36 55.06 2wv0 s GLN 183 Cb -0.11 -1.21 -0.01 0.00 1.10 0.00 0.00 33.01 32.78 2wv0 s GLN 183 CO -0.01 0.22 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.51 2wv0 s GLU 184 N -0.02 2.49 -0.06 1.67 2.02 -0.08 -4.99 118.70 119.73 2wv0 s GLU 184 Ca -0.01 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.18 2wv0 s GLU 184 Cb -0.09 -2.07 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 2wv0 s GLU 184 CO 0.01 0.32 -0.18 -0.51 0.02 0.00 0.00 175.26 174.92 2wv0 s LEU 185 N -0.02 1.90 -0.12 1.80 1.43 -1.26 -1.75 118.68 120.66 2wv0 s LEU 185 Ca -0.07 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 2wv0 s LEU 185 Cb -0.14 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.10 2wv0 s LEU 185 CO 0.04 0.14 0.28 -0.70 0.23 0.00 0.00 176.35 176.34 2wv0 s GLU 186 N 0.18 0.27 0.42 1.70 2.12 -0.66 -5.00 118.70 117.72 2wv0 s GLU 186 Ca -0.08 0.54 -0.22 0.00 0.36 0.00 0.00 54.97 55.57 2wv0 s GLU 186 Cb -0.13 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.12 2wv0 s GLU 186 CO 0.03 -0.13 1.01 -1.25 -0.54 0.00 0.00 175.26 174.38 2wv0 s PRO 187 N 1.02 4.12 0.09 4.30 0.04 -1.26 -0.65 135.00 142.66 2wv0 s PRO 187 Ca -0.07 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2wv0 s PRO 187 Cb -0.08 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2wv0 s PRO 187 CO -0.07 -0.15 0.14 0.45 0.04 0.00 0.00 177.00 177.41 2wv0 n SER 188 N -0.39 -0.40 -4.21 6.66 2.88 -0.23 -4.88 113.62 113.06 2wv0 n SER 188 Ca 0.06 -1.46 -0.32 0.00 -1.33 0.00 0.00 58.87 55.82 2wv0 n SER 188 Cb 0.52 0.71 -0.17 0.00 -0.75 0.00 0.00 64.21 64.52 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 -1.75 2.13 0.14 -1.46 0.00 -1.26 -1.65 121.76 117.91 2wv0 s ALA 189 Ca 0.07 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 2wv0 s ALA 189 Cb -0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 23.12 22.22 2wv0 s ALA 189 CO 0.05 0.29 1.81 0.00 0.00 0.00 0.00 175.76 177.90 2wv0 s ALA 190 N 0.33 3.80 0.84 0.00 0.00 -0.11 -4.78 121.76 121.85 2wv0 s ALA 190 Ca -0.18 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 2wv0 s ALA 190 Cb -0.18 -3.75 0.10 0.00 0.00 0.00 0.00 23.12 19.29 2wv0 s ALA 190 CO 0.09 -1.16 1.09 0.95 0.00 0.00 0.00 175.76 176.73 2wv0 s THR 191 N 2.39 2.95 0.22 0.00 -4.23 -1.26 -0.03 115.64 115.68 2wv0 s THR 191 Ca 0.80 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 61.52 2wv0 s THR 191 Cb -0.47 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 70.74 2wv0 s THR 191 CO 0.35 -0.40 1.66 0.74 -0.54 0.00 0.00 174.62 176.43 2wv0 h THR 192 N -1.33 0.46 -0.23 3.99 2.02 -1.96 0.11 112.91 115.97 2wv0 h THR 192 Ca -0.47 -0.05 -0.20 0.00 0.77 0.00 0.00 66.41 66.46 2wv0 h THR 192 Cb 1.27 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2wv0 h THR 192 CO 0.55 0.02 -0.64 -0.33 0.37 0.00 0.00 175.52 175.49 2wv0 h GLU 193 N 0.13 0.84 -0.10 6.66 3.07 -2.00 -1.64 114.58 121.54 2wv0 h GLU 193 Ca 0.36 -0.59 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 2wv0 h GLU 193 Cb 0.59 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2wv0 h GLU 193 CO -0.56 1.21 0.03 0.93 -1.40 0.00 0.00 179.01 179.23 2wv0 h GLU 194 N 0.61 0.16 -0.45 2.33 5.08 -1.80 -2.89 114.58 117.62 2wv0 h GLU 194 Ca -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2wv0 h GLU 194 Cb 1.26 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2wv0 h GLU 194 CO 0.14 0.31 0.21 0.00 -1.00 0.00 0.00 179.01 178.66 2wv0 h ALA 195 N 0.84 0.56 -0.56 3.43 0.00 -0.75 -0.22 119.26 122.56 2wv0 h ALA 195 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wv0 h ALA 195 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2wv0 h ALA 195 CO -0.00 -0.16 0.35 -0.91 0.00 0.00 0.00 179.25 178.54 2wv0 h ASN 196 N 0.42 0.59 -0.14 0.00 2.35 -1.32 -0.55 115.58 116.93 2wv0 h ASN 196 Ca 0.20 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.72 2wv0 h ASN 196 Cb 0.13 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.38 2wv0 h ASN 196 CO -0.16 0.42 -0.79 0.40 -1.65 0.00 0.00 177.43 175.66 2wv0 h ILE 197 N 0.71 1.28 0.00 2.81 2.04 -1.28 -3.28 117.51 119.79 2wv0 h ILE 197 Ca 0.22 -1.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.02 2wv0 h ILE 197 Cb -0.03 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2wv0 h ILE 197 CO -0.07 0.63 -0.34 -0.07 0.00 0.00 0.00 178.15 178.29 2wv0 h LEU 198 N 0.54 0.00 -0.47 1.44 -0.00 -1.00 -3.46 115.31 112.36 2wv0 h LEU 198 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2wv0 h LEU 198 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 2wv0 h LEU 198 CO 0.16 0.34 0.00 0.61 -0.00 0.00 0.00 178.44 179.55 2wv0 n GLY 199 N 0.60 1.00 3.22 0.83 0.00 -0.30 -4.59 105.19 105.95 2wv0 n GLY 199 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 2wv0 n GLY 199 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv0 s ILE 200 N -2.47 0.12 0.45 -0.61 -4.36 -0.70 -5.06 121.20 108.57 2wv0 s ILE 200 Ca 0.00 -1.99 -0.23 0.00 -0.26 0.00 0.00 60.65 58.17 2wv0 s ILE 200 Cb 0.00 -2.47 -0.08 0.00 1.25 0.00 0.00 42.46 41.16 2wv0 s ILE 200 CO 0.00 -0.06 1.15 -1.10 0.24 0.00 0.00 174.94 175.18 2wv0 s GLN 201 N -4.12 3.80 0.08 0.37 -1.52 -1.26 -4.33 119.66 112.67 2wv0 s GLN 201 Ca 0.37 1.75 -0.37 0.00 -1.95 0.00 0.00 55.36 55.16 2wv0 s GLN 201 Cb 0.07 -2.42 -0.17 0.00 -0.22 0.00 0.00 33.01 30.27 2wv0 s GLN 201 CO 0.11 -0.51 1.27 1.17 -0.25 0.00 0.00 175.29 177.07 2wv0 n LYS 202 N -0.45 0.95 -0.73 2.91 4.81 -1.26 -1.72 118.16 122.67 2wv0 n LYS 202 Ca 0.07 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2wv0 n LYS 202 Cb 0.48 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.59 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 2.29 0.98 3.75 3.14 0.00 0.96 -4.94 105.19 111.37 2wv0 n GLY 203 Ca 0.18 0.00 -0.38 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 -3.51 2.79 0.24 4.61 0.00 -0.70 -4.25 121.76 120.94 2wv0 s ALA 204 Ca 0.00 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 2wv0 s ALA 204 Cb 0.00 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 2wv0 s ALA 204 CO 0.00 -1.23 1.34 -2.30 0.00 0.00 0.00 175.76 173.57 2wv0 n PRO 205 N -1.05 1.89 -3.94 0.00 -0.02 -1.26 -0.93 135.00 129.69 2wv0 n PRO 205 Ca 0.11 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2wv0 n PRO 205 Cb 0.46 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 2wv0 n PRO 205 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wv0 s VAL 206 N -0.24 0.08 -0.26 -1.45 0.11 -0.66 -1.61 120.40 116.38 2wv0 s VAL 206 Ca 0.67 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2wv0 s VAL 206 Cb -0.67 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2wv0 s VAL 206 CO 0.52 -0.37 0.08 -0.22 -3.33 0.00 0.00 175.10 171.78 2wv0 s LEU 207 N -1.10 3.52 -0.22 2.54 2.96 0.30 -1.06 118.68 125.61 2wv0 s LEU 207 Ca -0.12 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 2wv0 s LEU 207 Cb -0.07 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2wv0 s LEU 207 CO -0.00 -0.05 0.56 -0.76 -1.32 0.00 0.00 176.35 174.78 2wv0 s LEU 208 N 1.62 4.11 -0.16 -0.68 1.02 0.17 -0.19 118.68 124.57 2wv0 s LEU 208 Ca 0.06 0.69 0.01 0.00 0.02 0.00 0.00 54.13 54.90 2wv0 s LEU 208 Cb -0.15 -2.77 0.03 0.00 0.02 0.00 0.00 46.19 43.31 2wv0 s LEU 208 CO 0.04 -0.26 -0.14 -0.63 0.02 0.00 0.00 176.35 175.38 2wv0 s ILE 209 N 2.00 1.64 -0.17 -0.59 1.01 -0.15 -1.66 121.20 123.29 2wv0 s ILE 209 Ca 0.25 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2wv0 s ILE 209 Cb -0.16 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2wv0 s ILE 209 CO 0.09 0.41 -0.03 -0.75 0.00 0.00 0.00 174.94 174.67 2wv0 s LYS 210 N 1.45 3.67 -0.05 2.79 2.20 -0.71 -0.65 119.74 128.43 2wv0 s LYS 210 Ca 0.04 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2wv0 s LYS 210 Cb -0.13 -2.96 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2wv0 s LYS 210 CO -0.10 0.20 0.10 0.50 -0.36 0.00 0.00 175.35 175.68 2wv0 s ARG 211 N 0.49 -0.00 -0.31 4.03 3.52 0.44 -0.90 118.95 126.22 2wv0 s ARG 211 Ca -0.03 0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.88 2wv0 s ARG 211 Cb -0.14 -0.31 0.01 0.00 -1.56 0.00 0.00 34.95 32.96 2wv0 s ARG 211 CO 0.03 -0.25 0.10 0.99 -0.81 0.00 0.00 175.30 175.35 2wv0 s THR 212 N 1.71 4.01 -0.12 4.11 2.01 -0.76 -0.26 115.64 126.34 2wv0 s THR 212 Ca -0.02 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 2wv0 s THR 212 Cb -0.12 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2wv0 s THR 212 CO -0.04 0.02 0.09 -0.89 -0.69 0.00 0.00 174.62 173.11 2wv0 s THR 213 N 1.49 5.11 0.10 -0.82 2.01 -0.27 -1.37 115.64 121.90 2wv0 s THR 213 Ca 0.02 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.16 2wv0 s THR 213 Cb -0.18 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2wv0 s THR 213 CO 0.03 0.60 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.09 2wv0 s TYR 214 N -0.82 2.61 0.57 4.92 2.02 0.91 -1.37 117.35 126.18 2wv0 s TYR 214 Ca 0.13 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.54 2wv0 s TYR 214 Cb -0.12 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2wv0 s TYR 214 CO 0.03 0.38 0.90 -0.51 -1.57 0.00 0.00 175.55 174.78 2wv0 s LEU 215 N -2.07 3.33 0.54 -1.29 1.43 0.57 -0.98 118.68 120.21 2wv0 s LEU 215 Ca 0.19 0.91 0.27 0.00 -1.03 0.00 0.00 54.13 54.46 2wv0 s LEU 215 Cb -0.11 -3.80 1.43 0.00 0.03 0.00 0.00 46.19 43.74 2wv0 s LEU 215 CO 0.11 -0.90 1.98 -0.61 0.23 0.00 0.00 176.35 177.15 2wv0 h GLN 216 N -0.10 0.00 -1.34 1.70 5.75 -1.33 0.27 115.11 120.05 2wv0 h GLN 216 Ca -0.46 0.00 0.40 0.00 -0.15 0.00 0.00 58.65 58.44 2wv0 h GLN 216 Cb 1.23 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.69 2wv0 h GLN 216 CO 0.61 0.00 0.92 -0.97 -2.65 0.00 0.00 178.83 176.74 2wv0 h ASN 217 N 0.00 0.16 0.00 -0.69 -0.00 -1.92 -3.46 115.58 109.67 2wv0 h ASN 217 Ca 0.26 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.62 2wv0 h ASN 217 Cb 1.08 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.44 2wv0 h ASN 217 CO -0.00 -0.03 0.00 0.61 -0.00 0.00 0.00 177.43 178.00 2wv0 n GLY 218 N -1.67 0.80 3.73 1.57 0.00 0.95 -5.07 105.19 105.50 2wv0 n GLY 218 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 2wv0 n GLY 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wv0 s THR 219 N -2.35 5.15 0.26 2.61 -4.23 -1.25 -4.78 115.64 111.06 2wv0 s THR 219 Ca 0.00 1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 61.22 2wv0 s THR 219 Cb 0.00 -3.84 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 2wv0 s THR 219 CO 0.00 0.34 1.41 0.00 -0.54 0.00 0.00 174.62 175.82 2wv0 s ALA 220 N 0.52 3.60 0.00 3.99 0.00 -1.26 -0.32 121.76 128.29 2wv0 s ALA 220 Ca 0.27 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2wv0 s ALA 220 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2wv0 s ALA 220 CO 0.11 -0.71 0.12 1.97 0.00 0.00 0.00 175.76 177.26 2wv0 n PHE 221 N 2.11 0.00 -3.69 0.00 -1.74 -0.47 -4.91 117.46 108.76 2wv0 n PHE 221 Ca 0.06 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.84 2wv0 n PHE 221 Cb 0.41 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.31 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 -0.49 0.47 -0.17 3.97 2.12 -1.21 -4.21 118.70 119.18 2wv0 s GLU 222 Ca 0.00 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.19 2wv0 s GLU 222 Cb 0.00 0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.46 2wv0 s GLU 222 CO 0.00 -0.14 -0.20 -1.58 -0.54 0.00 0.00 175.26 172.80 2wv0 s HIS 223 N 1.24 2.69 -0.01 5.30 5.65 -0.66 -1.11 115.29 128.40 2wv0 s HIS 223 Ca -0.08 -1.54 0.03 0.00 0.25 0.00 0.00 55.06 53.72 2wv0 s HIS 223 Cb -0.07 -1.86 -0.00 0.00 -1.18 0.00 0.00 32.58 29.46 2wv0 s HIS 223 CO -0.12 -0.75 -0.10 0.00 -0.65 0.00 0.00 174.74 173.12 2wv0 s ALA 224 N 1.20 0.86 -0.08 1.58 0.00 0.64 -0.26 121.76 125.70 2wv0 s ALA 224 Ca 0.02 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2wv0 s ALA 224 Cb -0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2wv0 s ALA 224 CO -0.10 0.19 -0.24 0.15 0.00 0.00 0.00 175.76 175.76 2wv0 s LYS 225 N -0.11 2.82 0.05 0.00 1.02 -0.00 -0.42 119.74 123.10 2wv0 s LYS 225 Ca 0.02 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.15 2wv0 s LYS 225 Cb -0.05 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2wv0 s LYS 225 CO -0.00 0.29 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.53 2wv0 s SER 226 N 0.08 0.84 -0.17 2.83 0.01 0.18 -0.28 113.70 117.18 2wv0 s SER 226 Ca -0.10 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2wv0 s SER 226 Cb -0.16 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.17 2wv0 s SER 226 CO 0.06 -0.29 -0.13 -0.69 0.41 0.00 0.00 173.24 172.60 2wv0 s VAL 227 N -2.02 1.63 -0.08 3.43 1.01 -0.48 -0.98 120.40 122.92 2wv0 s VAL 227 Ca -0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2wv0 s VAL 227 Cb -0.06 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2wv0 s VAL 227 CO -0.01 0.32 -0.04 -0.31 0.00 0.00 0.00 175.10 175.05 2wv0 s TYR 228 N 1.43 3.01 0.09 5.22 2.02 0.73 -1.27 117.35 128.59 2wv0 s TYR 228 Ca 0.02 0.06 -0.31 0.00 -0.37 0.00 0.00 57.07 56.48 2wv0 s TYR 228 Cb -0.14 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.57 2wv0 s TYR 228 CO -0.10 0.36 1.85 1.03 -1.57 0.00 0.00 175.55 177.13 2wv0 s ARG 229 N -0.78 4.14 0.61 -0.62 0.52 -0.82 -0.54 118.95 121.46 2wv0 s ARG 229 Ca 0.12 2.57 0.38 0.00 -0.52 0.00 0.00 55.73 58.28 2wv0 s ARG 229 Cb -0.11 -3.79 2.01 0.00 0.52 0.00 0.00 34.95 33.58 2wv0 s ARG 229 CO 0.02 -0.87 2.24 0.78 0.02 0.00 0.00 175.30 177.49 2wv0 h GLY 230 N 9.30 0.00 1.51 -3.53 0.00 -1.60 -2.63 103.07 106.12 2wv0 h GLY 230 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2wv0 h GLY 230 CO 0.94 0.00 -0.17 2.09 0.00 0.00 0.00 176.54 179.40 2wv0 n ASP 231 N -3.26 0.22 0.00 0.19 5.75 -1.26 -4.08 116.55 114.11 2wv0 n ASP 231 Ca -0.02 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 2wv0 n ASP 231 Cb 0.14 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2wv0 n ASP 231 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wv0 n ARG 232 N -1.41 4.06 -4.17 0.11 1.74 -1.12 -5.07 116.66 110.81 2wv0 n ARG 232 Ca 0.08 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 2wv0 n ARG 232 Cb 0.33 -0.33 -0.16 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.58 0.83 -0.05 -1.55 6.14 -1.01 -5.06 117.35 116.08 2wv0 s TYR 233 Ca 0.00 -0.25 0.05 0.00 0.64 0.00 0.00 57.07 57.51 2wv0 s TYR 233 Cb 0.00 -0.73 -0.01 0.00 0.42 0.00 0.00 41.96 41.64 2wv0 s TYR 233 CO 0.00 -0.22 -0.21 0.99 0.64 0.00 0.00 175.55 176.75 2wv0 s THR 234 N 0.99 1.74 -0.21 4.34 2.01 -1.26 -4.75 115.64 118.49 2wv0 s THR 234 Ca -0.10 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 2wv0 s THR 234 Cb -0.14 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2wv0 s THR 234 CO -0.00 0.49 0.50 0.12 -0.69 0.00 0.00 174.62 175.03 2wv0 s PHE 235 N -0.11 3.36 -0.07 4.92 2.19 -1.26 -5.07 117.98 121.93 2wv0 s PHE 235 Ca -0.02 0.72 0.04 0.00 0.33 0.00 0.00 56.93 58.00 2wv0 s PHE 235 Cb -0.12 -2.65 0.00 0.00 -1.31 0.00 0.00 43.02 38.94 2wv0 s PHE 235 CO 0.03 -0.11 -0.19 0.08 1.83 0.00 0.00 175.22 176.86 2wv0 s VAL 236 N 1.67 1.63 0.07 3.12 1.01 -1.26 -5.14 120.40 121.50 2wv0 s VAL 236 Ca 0.23 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2wv0 s VAL 236 Cb -0.15 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.85 2wv0 s VAL 236 CO 0.09 0.46 0.45 -1.38 0.00 0.00 0.00 175.10 174.73 2wv0 s HIS 237 N 0.36 -0.31 0.07 5.22 -3.43 -1.26 -4.70 115.29 111.24 2wv0 s HIS 237 Ca -0.14 0.22 0.02 0.00 -0.80 0.00 0.00 55.06 54.36 2wv0 s HIS 237 Cb -0.16 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 31.23 2wv0 s HIS 237 CO 0.06 -0.64 0.12 0.71 -2.00 0.00 0.00 174.74 172.99 2wv0 s TYR 238 N -2.87 3.30 -0.02 0.38 2.02 -0.79 -5.06 117.35 114.31 2wv0 s TYR 238 Ca -0.03 0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2wv0 s TYR 238 Cb -0.00 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2wv0 s TYR 238 CO -0.05 0.55 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.70 2wv0 s MET 239 N -2.41 1.25 -0.07 -0.62 -1.94 -1.26 -4.93 119.30 109.32 2wv0 s MET 239 Ca 0.31 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 2wv0 s MET 239 Cb -0.12 -1.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 2wv0 s MET 239 CO 0.24 0.22 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.90 2wv0 s ASP 240 N -0.06 4.69 0.06 3.03 1.11 -1.26 -5.09 116.67 119.14 2wv0 s ASP 240 Ca 0.00 -0.01 -0.30 0.00 0.18 0.00 0.00 52.55 52.41 2wv0 s ASP 240 Cb -0.08 -1.21 -0.05 0.00 1.07 0.00 0.00 42.92 42.65 2wv0 s ASP 240 CO 0.00 0.36 1.10 -0.60 1.18 0.00 0.00 175.17 177.21 2wv0 s ARG 241 N -0.78 4.51 0.00 8.23 6.06 -1.26 -5.36 118.95 130.35 2wv0 s ARG 241 Ca 0.12 1.63 0.26 0.00 -2.50 0.00 0.00 55.73 55.24 2wv0 s ARG 241 Cb -0.11 -3.38 0.67 0.00 0.06 0.00 0.00 34.95 32.19 2wv0 s ARG 241 CO 0.02 -0.13 1.53 1.28 -2.50 0.00 0.00 175.30 175.50