#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvx s VAL 3 N 0.00 4.97 0.52 2.28 1.01 -1.26 -5.06 120.40 122.86 1wvx s VAL 3 Ca 0.00 1.69 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1wvx s VAL 3 Cb 0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1wvx s VAL 3 CO 0.00 0.20 0.54 -0.36 0.00 0.00 0.00 175.10 175.48 1wvx s PHE 4 N 0.97 1.84 0.11 5.22 0.08 -1.26 -5.04 117.98 119.89 1wvx s PHE 4 Ca 0.43 -0.71 -0.31 0.00 0.12 0.00 0.00 56.93 56.46 1wvx s PHE 4 Cb -0.19 -2.09 -0.10 0.00 -0.57 0.00 0.00 43.02 40.07 1wvx s PHE 4 CO 0.21 -0.63 1.81 1.03 -0.10 0.00 0.00 175.22 177.54 1wvx s ARG 5 N -4.39 4.14 0.05 0.44 0.52 -0.74 -4.80 118.95 114.17 1wvx s ARG 5 Ca 0.48 2.57 0.24 0.00 -0.52 0.00 0.00 55.73 58.49 1wvx s ARG 5 Cb -0.04 -3.61 0.25 0.00 0.52 0.00 0.00 34.95 32.06 1wvx s ARG 5 CO 0.29 -0.83 1.21 1.04 0.02 0.00 0.00 175.30 177.03 1wvx n GLN 6 N 5.73 0.18 -1.91 3.54 1.13 -1.26 -1.85 117.38 122.94 1wvx n GLN 6 Ca 0.18 0.02 -0.34 0.00 -1.94 0.00 0.00 57.00 54.92 1wvx n GLN 6 Cb 0.38 -1.58 0.03 0.00 0.11 0.00 0.00 30.24 29.19 1wvx n GLN 6 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1wvx s GLU 7 N -3.11 2.95 -0.07 -1.09 1.03 -1.26 -4.91 118.70 112.23 1wvx s GLU 7 Ca 0.07 1.50 -0.30 0.00 0.03 0.00 0.00 54.97 56.28 1wvx s GLU 7 Cb 0.15 -1.96 -0.05 0.00 -0.80 0.00 0.00 34.13 31.47 1wvx s GLU 7 CO 0.75 -1.15 1.63 1.21 -1.33 0.00 0.00 175.26 176.37 1wvx s ASN 8 N -2.24 6.67 0.51 0.83 2.47 -1.26 -4.78 114.94 117.13 1wvx s ASN 8 Ca 0.70 2.16 0.33 0.00 0.42 0.00 0.00 52.86 56.47 1wvx s ASN 8 Cb -0.23 -2.53 1.45 0.00 -1.45 0.00 0.00 41.25 38.49 1wvx s ASN 8 CO 0.37 -0.94 1.79 1.62 -3.72 0.00 0.00 177.10 176.22 1wvx h VAL 9 N 5.61 0.42 0.00 -5.21 3.04 -1.94 0.52 116.25 118.68 1wvx h VAL 9 Ca -0.38 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1wvx h VAL 9 Cb 1.17 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1wvx h VAL 9 CO 0.96 0.02 0.00 0.47 -1.01 0.00 0.00 177.57 178.00 1wvx n ASP 10 N -4.29 0.00 0.01 3.17 8.00 -1.26 -0.93 116.55 121.24 1wvx n ASP 10 Ca 0.26 -0.23 -0.06 0.00 0.71 0.00 0.00 54.79 55.47 1wvx n ASP 10 Cb 1.18 -0.19 -0.12 0.00 -0.02 0.00 0.00 41.12 41.97 1wvx n ASP 10 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wvx h ASP 11 N 0.00 0.00 0.00 -2.24 3.32 -0.32 -3.38 116.42 113.80 1wvx h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wvx h ASP 11 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wvx h ASP 11 CO 0.00 0.89 -1.43 -1.22 -1.72 0.00 0.00 179.24 175.76 1wvx n TYR 12 N -3.08 0.00 -4.29 4.55 4.02 -1.04 -4.95 117.16 112.37 1wvx n TYR 12 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.57 1wvx n TYR 12 Cb 0.97 -0.25 -0.11 0.00 -0.02 0.00 0.00 39.34 39.93 1wvx n TYR 12 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1wvx s TYR 13 N -2.83 1.66 -0.74 -0.72 1.51 -0.11 -0.01 117.35 116.11 1wvx s TYR 13 Ca -0.03 -0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1wvx s TYR 13 Cb 0.09 -0.86 0.19 0.00 -0.11 0.00 0.00 41.96 41.28 1wvx s TYR 13 CO 0.58 0.24 0.61 -0.51 -1.11 0.00 0.00 175.55 175.36 1wvx s ASP 14 N -2.44 5.93 0.58 2.29 1.01 0.52 -4.42 116.67 120.14 1wvx s ASP 14 Ca 0.11 -2.88 -0.20 0.00 0.71 0.00 0.00 52.55 50.29 1wvx s ASP 14 Cb -0.06 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 1wvx s ASP 14 CO 0.05 -0.43 1.26 -0.89 0.21 0.00 0.00 175.17 175.37 1wvx s THR 15 N -0.11 2.41 0.00 -1.27 2.01 -1.26 -2.62 115.64 114.79 1wvx s THR 15 Ca 0.18 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1wvx s THR 15 Cb -0.15 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1wvx s THR 15 CO -0.06 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 1wvx n GLY 16 N 0.64 4.33 2.72 4.40 0.00 0.02 -4.97 105.19 112.33 1wvx n GLY 16 Ca 0.12 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1wvx n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wvx n GLU 17 N 0.00 0.00 -3.83 1.61 2.13 -1.26 -4.31 120.64 114.97 1wvx n GLU 17 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1wvx n GLU 17 Cb 0.00 -0.85 -0.08 0.00 0.27 0.00 0.00 31.44 30.78 1wvx n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wvx s GLU 18 N -0.95 4.07 -0.10 5.31 2.12 -1.26 0.03 118.70 127.91 1wvx s GLU 18 Ca 0.46 -0.26 0.13 0.00 0.36 0.00 0.00 54.97 55.67 1wvx s GLU 18 Cb -0.39 -3.34 -0.24 0.00 0.26 0.00 0.00 34.13 30.43 1wvx s GLU 18 CO 0.58 0.32 0.44 1.28 -0.54 0.00 0.00 175.26 177.34 1wvx n LEU 19 N 3.42 0.73 -3.60 2.70 4.77 0.99 -4.91 117.00 121.10 1wvx n LEU 19 Ca -0.16 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1wvx n LEU 19 Cb 0.52 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1wvx n LEU 19 CO 0.36 0.46 1.00 -0.83 -1.33 0.00 0.00 177.39 177.05 1wvx s GLY 20 N -5.28 -0.33 0.02 -0.72 0.00 -1.11 -5.02 107.32 94.88 1wvx s GLY 20 Ca -0.08 1.31 0.03 0.00 0.00 0.00 0.00 44.72 45.98 1wvx s GLY 20 CO 0.82 0.41 -0.09 -0.56 0.00 0.00 0.00 173.10 173.68 1wvx s SER 21 N -2.41 0.99 0.35 1.64 0.01 -1.26 -1.61 113.70 111.40 1wvx s SER 21 Ca 0.10 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1wvx s SER 21 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1wvx s SER 21 CO -0.04 -0.04 0.15 -0.83 0.41 0.00 0.00 173.24 172.88 1wvx s GLY 22 N -0.93 2.28 0.25 3.44 0.00 0.11 -5.01 107.32 107.46 1wvx s GLY 22 Ca -0.03 -1.62 -0.05 0.00 0.00 0.00 0.00 44.72 43.03 1wvx s GLY 22 CO 0.00 -1.69 1.88 -1.61 0.00 0.00 0.00 173.10 171.68 1wvx h GLN 23 N 2.05 1.08 0.00 2.90 4.15 -2.02 -3.18 115.11 120.09 1wvx h GLN 23 Ca -0.34 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 58.98 1wvx h GLN 23 Cb 1.26 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.64 1wvx h GLN 23 CO 0.54 0.71 -0.44 1.19 -1.93 0.00 0.00 178.83 178.90 1wvx n PHE 24 N -4.54 0.00 -3.49 3.99 3.72 -1.26 -4.91 117.46 110.97 1wvx n PHE 24 Ca 0.13 -1.02 -0.15 0.00 -0.05 0.00 0.00 57.45 56.36 1wvx n PHE 24 Cb 0.15 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 1wvx n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wvx s ALA 25 N -2.24 -1.74 -0.02 4.37 0.00 -1.20 -1.60 121.76 119.33 1wvx s ALA 25 Ca 0.31 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1wvx s ALA 25 Cb 0.31 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1wvx s ALA 25 CO -0.05 -0.51 0.00 0.54 0.00 0.00 0.00 175.76 175.75 1wvx s VAL 26 N -2.08 0.09 -0.26 0.00 0.11 -0.91 0.04 120.40 117.40 1wvx s VAL 26 Ca -0.05 0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1wvx s VAL 26 Cb -0.00 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1wvx s VAL 26 CO 0.01 0.10 0.00 0.68 -3.33 0.00 0.00 175.10 172.56 1wvx s VAL 27 N 0.76 3.49 0.07 2.04 -7.23 -0.63 0.35 120.40 119.25 1wvx s VAL 27 Ca -0.07 -0.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 1wvx s VAL 27 Cb -0.10 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1wvx s VAL 27 CO -0.02 0.22 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.41 1wvx s LYS 28 N 1.45 2.45 0.41 4.82 1.02 0.50 -0.01 119.74 130.37 1wvx s LYS 28 Ca 0.03 -0.85 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 1wvx s LYS 28 Cb -0.16 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 1wvx s LYS 28 CO -0.01 0.55 1.02 0.21 -0.92 0.00 0.00 175.35 176.20 1wvx s LYS 29 N -2.05 4.16 0.18 1.68 2.20 0.10 0.41 119.74 126.43 1wvx s LYS 29 Ca 0.22 1.40 -0.08 0.00 -0.36 0.00 0.00 55.97 57.16 1wvx s LYS 29 Cb -0.11 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1wvx s LYS 29 CO 0.14 -0.12 0.28 0.00 -0.36 0.00 0.00 175.35 175.29 1wvx s ARG 31 N -4.01 1.50 -0.02 0.00 3.52 -1.08 -0.56 118.95 118.30 1wvx s ARG 31 Ca 0.21 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 1wvx s ARG 31 Cb 0.03 -1.42 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1wvx s ARG 31 CO 0.03 -0.13 1.24 -2.00 -0.81 0.00 0.00 175.30 173.63 1wvx s GLU 32 N 1.21 4.35 0.18 5.12 2.12 0.97 -0.36 118.70 132.30 1wvx s GLU 32 Ca -0.05 1.75 -0.12 0.00 0.36 0.00 0.00 54.97 56.92 1wvx s GLU 32 Cb -0.14 -3.52 0.10 0.00 0.26 0.00 0.00 34.13 30.82 1wvx s GLU 32 CO -0.02 -0.44 1.79 0.87 -0.54 0.00 0.00 175.26 176.92 1wvx h LYS 33 N 7.43 0.88 -0.25 4.30 1.57 -0.77 0.88 116.57 130.61 1wvx h LYS 33 Ca -0.36 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 1wvx h LYS 33 Cb 1.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1wvx h LYS 33 CO 0.87 0.67 -0.24 0.66 -0.57 0.00 0.00 179.45 180.85 1wvx h SER 34 N 0.86 0.48 0.00 0.86 4.64 -1.92 -3.32 113.55 115.14 1wvx h SER 34 Ca 0.22 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wvx h SER 34 Cb 0.05 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1wvx h SER 34 CO -0.03 0.71 -1.43 0.35 -0.87 0.00 0.00 176.83 175.56 1wvx n THR 35 N -4.13 0.00 -1.07 2.95 -2.24 -1.18 -4.98 114.28 103.63 1wvx n THR 35 Ca -0.00 -0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.49 1wvx n THR 35 Cb 0.39 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 1wvx n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wvx n GLY 36 N 1.79 0.55 3.84 3.38 0.00 0.30 -5.00 105.19 110.06 1wvx n GLY 36 Ca -0.02 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1wvx n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wvx s LEU 37 N -0.51 4.27 0.06 0.99 1.43 -1.21 -4.74 118.68 118.96 1wvx s LEU 37 Ca 0.00 1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 1wvx s LEU 37 Cb 0.00 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 1wvx s LEU 37 CO 0.00 0.00 0.62 -1.10 0.23 0.00 0.00 176.35 176.10 1wvx s GLN 38 N -2.27 4.31 0.22 1.70 -1.52 -1.26 -0.02 119.66 120.82 1wvx s GLN 38 Ca 0.43 0.82 0.05 0.00 -1.95 0.00 0.00 55.36 54.71 1wvx s GLN 38 Cb -0.14 -3.28 -0.02 0.00 -0.22 0.00 0.00 33.01 29.35 1wvx s GLN 38 CO 0.20 0.53 0.17 0.66 -0.25 0.00 0.00 175.29 176.59 1wvx n TYR 39 N 2.07 -0.44 -5.07 0.91 4.02 0.27 -4.51 117.16 114.41 1wvx n TYR 39 Ca -0.08 -1.82 -0.32 0.00 -0.01 0.00 0.00 57.90 55.67 1wvx n TYR 39 Cb 0.50 0.17 -0.16 0.00 -0.02 0.00 0.00 39.34 39.83 1wvx n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wvx s ALA 40 N -2.86 2.35 -0.32 -0.72 0.00 0.19 -1.47 121.76 118.92 1wvx s ALA 40 Ca 0.24 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 1wvx s ALA 40 Cb 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1wvx s ALA 40 CO 0.17 0.32 0.12 0.00 0.00 0.00 0.00 175.76 176.38 1wvx s ALA 41 N 0.16 3.15 -0.37 0.00 0.00 0.17 0.79 121.76 125.65 1wvx s ALA 41 Ca -0.11 -1.55 -0.13 0.00 0.00 0.00 0.00 51.96 50.17 1wvx s ALA 41 Cb -0.16 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1wvx s ALA 41 CO 0.06 -1.09 0.24 0.21 0.00 0.00 0.00 175.76 175.19 1wvx s LYS 42 N 1.51 3.14 -0.57 0.00 2.20 -0.12 -0.37 119.74 125.53 1wvx s LYS 42 Ca 0.02 -0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 54.55 1wvx s LYS 42 Cb -0.18 -3.82 0.09 0.00 -1.51 0.00 0.00 37.83 32.41 1wvx s LYS 42 CO 0.04 -0.61 0.70 -0.06 -0.36 0.00 0.00 175.35 175.06 1wvx s PHE 43 N 1.66 2.99 -0.14 4.03 0.40 0.16 -1.43 117.98 125.64 1wvx s PHE 43 Ca 0.05 -0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 55.38 1wvx s PHE 43 Cb -0.18 -3.91 -0.04 0.00 0.51 0.00 0.00 43.02 39.40 1wvx s PHE 43 CO 0.09 -1.25 0.48 0.42 0.70 0.00 0.00 175.22 175.66 1wvx s ILE 44 N 2.76 5.17 -0.13 0.64 1.01 -0.48 -2.14 121.20 128.04 1wvx s ILE 44 Ca 0.13 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.44 1wvx s ILE 44 Cb -0.22 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1wvx s ILE 44 CO 0.08 0.29 0.97 -0.54 0.00 0.00 0.00 174.94 175.74 1wvx s LYS 45 N 0.89 4.39 0.51 2.79 3.01 -0.63 -1.01 119.74 129.70 1wvx s LYS 45 Ca 0.25 1.31 -0.19 0.00 -1.01 0.00 0.00 55.97 56.34 1wvx s LYS 45 Cb -0.15 -3.55 -0.07 0.00 -1.01 0.00 0.00 37.83 33.04 1wvx s LYS 45 CO 0.10 -0.34 1.04 0.15 0.51 0.00 0.00 175.35 176.81 1wvx s LYS 46 N 2.12 3.70 -0.06 1.68 1.02 0.15 -0.59 119.74 127.76 1wvx s LYS 46 Ca 0.46 1.30 -0.25 0.00 0.02 0.00 0.00 55.97 57.50 1wvx s LYS 46 Cb -0.18 -2.08 -0.24 0.00 -0.52 0.00 0.00 37.83 34.81 1wvx s LYS 46 CO 0.16 -0.51 0.99 -0.09 -0.92 0.00 0.00 175.35 174.98 1wvx h ARG 47 N 1.26 0.15 -3.49 1.68 2.43 -1.40 -3.41 114.38 111.61 1wvx h ARG 47 Ca -0.49 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 58.36 1wvx h ARG 47 Cb 1.22 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1wvx h ARG 47 CO 0.59 0.94 -0.18 2.89 -1.51 0.00 0.00 179.97 182.70 1wvx n ARG 48 N -4.51 -2.12 -3.15 0.20 1.85 -1.26 -4.81 116.66 102.87 1wvx n ARG 48 Ca -0.10 0.39 0.06 0.00 -1.00 0.00 0.00 57.85 57.19 1wvx n ARG 48 Cb 0.51 -4.82 -0.00 0.00 -1.05 0.00 0.00 32.46 27.10 1wvx n ARG 48 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1wvx s THR 49 N -2.15 -0.14 0.17 8.89 -1.32 -1.26 -5.08 115.64 114.76 1wvx s THR 49 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1wvx s THR 49 Cb 0.00 -0.20 0.06 0.00 -1.51 0.00 0.00 72.50 70.85 1wvx s THR 49 CO 0.00 0.00 1.38 0.29 -2.21 0.00 0.00 174.62 174.08 1wvx n LYS 50 N 5.09 -0.31 -0.28 7.08 5.02 -1.26 -0.68 118.16 132.81 1wvx n LYS 50 Ca 0.09 1.36 0.17 0.00 -2.02 0.00 0.00 58.31 57.91 1wvx n LYS 50 Cb 0.58 -2.01 0.44 0.00 -0.02 0.00 0.00 35.03 34.03 1wvx n LYS 50 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1wvx h SER 51 N 0.00 0.54 -3.22 4.39 4.64 -1.97 -3.42 113.55 114.51 1wvx h SER 51 Ca 0.22 0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 61.07 1wvx h SER 51 Cb 0.44 -0.04 0.07 0.00 -0.31 0.00 0.00 62.40 62.56 1wvx h SER 51 CO -0.86 0.21 0.88 -0.55 -0.87 0.00 0.00 176.83 175.64 1wvx s SER 52 N -5.56 6.44 0.00 4.97 0.15 0.14 -4.90 113.70 114.94 1wvx s SER 52 Ca -0.09 2.86 0.21 0.00 0.70 0.00 0.00 55.95 59.63 1wvx s SER 52 Cb 0.23 -2.63 0.59 0.00 -1.71 0.00 0.00 66.02 62.51 1wvx s SER 52 CO 0.79 -0.88 1.49 0.54 1.20 0.00 0.00 173.24 176.39 1wvx n ARG 53 N 2.57 2.55 -3.84 5.44 1.74 -1.26 -4.90 116.66 118.96 1wvx n ARG 53 Ca 0.09 -2.41 -0.21 0.00 -0.77 0.00 0.00 57.85 54.56 1wvx n ARG 53 Cb 0.38 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1wvx n ARG 53 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wvx s ARG 54 N -1.13 3.22 0.33 5.56 0.52 -1.26 -5.00 118.95 121.18 1wvx s ARG 54 Ca 0.45 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1wvx s ARG 54 Cb 0.23 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1wvx s ARG 54 CO 0.31 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.34 1wvx n GLY 55 N -1.44 -2.60 3.83 -3.53 0.00 -1.26 -4.44 105.19 95.75 1wvx n GLY 55 Ca -0.06 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 1wvx n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wvx s VAL 56 N -3.10 5.04 0.60 1.61 1.01 0.25 -4.57 120.40 121.24 1wvx s VAL 56 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1wvx s VAL 56 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1wvx s VAL 56 CO 0.00 0.35 1.11 -0.94 0.00 0.00 0.00 175.10 175.63 1wvx s SER 57 N -1.78 5.42 0.20 3.32 1.04 -1.26 -1.27 113.70 119.37 1wvx s SER 57 Ca 0.24 2.06 -0.11 0.00 0.48 0.00 0.00 55.95 58.62 1wvx s SER 57 Cb -0.12 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.59 1wvx s SER 57 CO 0.15 -1.42 1.85 -0.09 0.98 0.00 0.00 173.24 174.71 1wvx h ARG 58 N 0.56 0.84 -0.71 4.02 1.12 -1.98 -2.02 114.38 116.21 1wvx h ARG 58 Ca -0.48 -0.05 0.10 0.00 -1.11 0.00 0.00 59.98 58.44 1wvx h ARG 58 Cb 1.25 -0.19 -0.08 0.00 -0.01 0.00 0.00 29.97 30.95 1wvx h ARG 58 CO 0.55 0.55 0.33 1.49 -3.11 0.00 0.00 179.97 179.79 1wvx h GLU 59 N 0.86 0.53 -0.54 0.20 4.81 -1.98 0.39 114.58 118.85 1wvx h GLU 59 Ca 0.26 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1wvx h GLU 59 Cb -0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1wvx h GLU 59 CO -0.08 0.35 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.02 1wvx h ASP 60 N 0.54 1.01 0.13 1.04 3.32 -1.80 -1.80 116.42 118.87 1wvx h ASP 60 Ca 0.36 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1wvx h ASP 60 Cb 0.43 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1wvx h ASP 60 CO -0.30 1.12 -0.06 0.40 -1.72 0.00 0.00 179.24 178.67 1wvx h ILE 61 N 0.88 1.03 -0.91 0.35 2.04 -0.67 -2.58 117.51 117.66 1wvx h ILE 61 Ca 0.14 -0.78 0.22 0.00 1.00 0.00 0.00 64.86 65.44 1wvx h ILE 61 Cb 0.65 1.51 -0.12 0.00 -0.74 0.00 0.00 36.82 38.12 1wvx h ILE 61 CO 0.05 0.18 0.43 -0.08 0.00 0.00 0.00 178.15 178.73 1wvx h GLU 62 N -0.55 0.42 -0.31 2.37 4.57 -0.21 -0.78 114.58 120.08 1wvx h GLU 62 Ca -0.02 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1wvx h GLU 62 Cb 0.44 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1wvx h GLU 62 CO 0.03 0.28 -0.06 -0.09 -1.18 0.00 0.00 179.01 177.99 1wvx h ARG 63 N 0.44 0.59 -0.46 1.92 2.43 -1.23 0.80 114.38 118.87 1wvx h ARG 63 Ca 0.57 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1wvx h ARG 63 Cb 1.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1wvx h ARG 63 CO -0.51 0.77 0.20 1.49 -1.51 0.00 0.00 179.97 180.41 1wvx h GLU 64 N 0.37 0.67 -0.25 0.20 4.81 -0.80 0.33 114.58 119.91 1wvx h GLU 64 Ca 0.08 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1wvx h GLU 64 Cb 0.55 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1wvx h GLU 64 CO 0.03 0.59 0.12 0.28 -0.73 0.00 0.00 179.01 179.30 1wvx h VAL 65 N 0.59 1.14 -0.08 0.32 2.07 -1.14 0.16 116.25 119.31 1wvx h VAL 65 Ca 0.15 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1wvx h VAL 65 Cb 0.16 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1wvx h VAL 65 CO -0.02 0.14 -0.24 -1.28 0.02 0.00 0.00 177.57 176.20 1wvx h SER 66 N 0.28 -0.73 -0.21 0.57 0.87 -0.45 0.25 113.55 114.13 1wvx h SER 66 Ca 0.09 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1wvx h SER 66 Cb 0.11 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1wvx h SER 66 CO -0.01 -0.30 0.07 0.40 -0.53 0.00 0.00 176.83 176.46 1wvx h ILE 67 N -0.33 1.19 -0.72 2.23 2.04 -0.77 -2.90 117.51 118.24 1wvx h ILE 67 Ca 0.09 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.45 1wvx h ILE 67 Cb 0.45 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 1wvx h ILE 67 CO -0.27 0.19 0.35 -0.07 0.00 0.00 0.00 178.15 178.35 1wvx h LEU 68 N 0.17 0.44 -1.71 1.44 3.38 -0.20 -0.56 115.31 118.26 1wvx h LEU 68 Ca 0.07 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1wvx h LEU 68 Cb 0.23 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wvx h LEU 68 CO -0.00 0.24 0.23 0.50 0.09 0.00 0.00 178.44 179.49 1wvx h LYS 69 N 0.58 0.37 0.00 1.13 1.63 -0.33 -1.97 116.57 117.98 1wvx h LYS 69 Ca 0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1wvx h LYS 69 Cb 0.42 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1wvx h LYS 69 CO -0.29 0.24 -0.04 1.49 -3.45 0.00 0.00 179.45 177.40 1wvx h GLU 70 N 0.38 0.00 -6.46 1.90 4.81 -0.92 -3.46 114.58 110.83 1wvx h GLU 70 Ca 0.13 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.83 1wvx h GLU 70 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1wvx h GLU 70 CO -0.03 0.00 0.15 0.42 -0.73 0.00 0.00 179.01 178.82 1wvx s ILE 71 N -3.14 4.46 -0.47 2.32 1.01 -0.74 -5.02 121.20 119.62 1wvx s ILE 71 Ca 0.09 1.64 0.06 0.00 0.00 0.00 0.00 60.65 62.44 1wvx s ILE 71 Cb 0.10 -4.11 0.19 0.00 0.01 0.00 0.00 42.46 38.65 1wvx s ILE 71 CO 0.62 0.51 0.72 -1.58 0.00 0.00 0.00 174.94 175.21 1wvx s GLN 72 N -1.00 0.92 -0.05 2.79 2.00 -1.26 -4.82 119.66 118.24 1wvx s GLN 72 Ca 0.35 -0.72 -0.13 0.00 -2.00 0.00 0.00 55.36 52.86 1wvx s GLN 72 Cb -0.22 0.01 0.02 0.00 0.80 0.00 0.00 33.01 33.62 1wvx s GLN 72 CO 0.25 -1.20 0.30 -1.58 -0.50 0.00 0.00 175.29 172.56 1wvx s HIS 73 N 1.25 -0.23 0.51 1.67 2.46 -1.26 -5.06 115.29 114.63 1wvx s HIS 73 Ca 0.24 0.44 0.23 0.00 0.47 0.00 0.00 55.06 56.45 1wvx s HIS 73 Cb -0.01 0.10 1.32 0.00 -0.13 0.00 0.00 32.58 33.86 1wvx s HIS 73 CO -0.06 -0.31 1.97 -1.35 -2.47 0.00 0.00 174.74 172.52 1wvx h PRO 74 N 4.49 0.10 -0.61 2.88 0.11 -1.99 -1.85 132.00 135.12 1wvx h PRO 74 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1wvx h PRO 74 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wvx h PRO 74 CO 0.37 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.31 1wvx n ASN 75 N -4.40 5.40 -4.10 -2.05 3.02 -1.26 -4.77 115.26 107.10 1wvx n ASN 75 Ca 0.11 -2.75 -0.20 0.00 -0.03 0.00 0.00 54.58 51.71 1wvx n ASN 75 Cb 0.60 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 1wvx n ASN 75 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wvx s VAL 76 N -2.41 0.99 0.34 2.41 1.01 -0.70 -0.69 120.40 121.35 1wvx s VAL 76 Ca 0.54 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1wvx s VAL 76 Cb 0.39 -0.86 -0.11 0.00 0.00 0.00 0.00 36.38 35.80 1wvx s VAL 76 CO 0.20 0.15 1.38 -0.51 0.00 0.00 0.00 175.10 176.32 1wvx s ILE 77 N -0.52 2.47 -0.12 2.22 1.10 -0.81 -4.59 121.20 120.96 1wvx s ILE 77 Ca 0.03 0.47 -0.04 0.00 -0.51 0.00 0.00 60.65 60.61 1wvx s ILE 77 Cb -0.06 -3.30 -0.03 0.00 0.15 0.00 0.00 42.46 39.22 1wvx s ILE 77 CO 0.00 0.11 0.02 0.42 -2.11 0.00 0.00 174.94 173.38 1wvx s THR 78 N -1.04 4.45 -0.08 4.00 -4.23 -1.26 -4.92 115.64 112.56 1wvx s THR 78 Ca 0.51 -0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.56 1wvx s THR 78 Cb -0.42 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 1wvx s THR 78 CO 0.56 0.57 0.91 -0.22 -0.54 0.00 0.00 174.62 175.89 1wvx s LEU 79 N -0.50 4.28 -0.15 4.79 2.96 -1.26 -1.54 118.68 127.26 1wvx s LEU 79 Ca 0.09 1.42 -0.11 0.00 -0.22 0.00 0.00 54.13 55.32 1wvx s LEU 79 Cb -0.12 -3.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1wvx s LEU 79 CO 0.02 -0.33 -0.15 1.57 -1.32 0.00 0.00 176.35 176.14 1wvx n HIS 80 N 4.54 0.88 -4.03 5.38 -0.00 0.14 -4.95 115.22 117.19 1wvx n HIS 80 Ca 0.05 0.38 -0.10 0.00 -0.00 0.00 0.00 57.72 58.06 1wvx n HIS 80 Cb 0.50 -0.79 -0.07 0.00 -0.00 0.00 0.00 29.99 29.62 1wvx n HIS 80 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1wvx s GLU 81 N -2.29 1.24 -0.07 1.57 2.02 -0.99 -4.99 118.70 115.19 1wvx s GLU 81 Ca -0.17 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 53.51 1wvx s GLU 81 Cb 0.03 0.37 0.03 0.00 0.10 0.00 0.00 34.13 34.65 1wvx s GLU 81 CO 0.27 -0.46 0.01 0.08 0.02 0.00 0.00 175.26 175.18 1wvx s VAL 82 N -4.02 0.30 0.36 2.63 1.01 -1.26 -0.50 120.40 118.93 1wvx s VAL 82 Ca 0.23 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1wvx s VAL 82 Cb 0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.88 1wvx s VAL 82 CO 0.04 0.24 0.04 -0.31 0.00 0.00 0.00 175.10 175.12 1wvx s TYR 83 N 2.00 2.55 -0.07 5.22 1.51 0.85 -1.79 117.35 127.61 1wvx s TYR 83 Ca 0.05 -0.50 -0.27 0.00 -1.01 0.00 0.00 57.07 55.33 1wvx s TYR 83 Cb -0.12 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.18 1wvx s TYR 83 CO -0.05 0.42 0.62 -1.83 -1.11 0.00 0.00 175.55 173.61 1wvx s GLU 84 N -3.74 0.96 0.00 -0.62 -1.05 -0.77 0.72 118.70 114.19 1wvx s GLU 84 Ca 0.36 0.29 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 1wvx s GLU 84 Cb 0.02 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1wvx s GLU 84 CO 0.20 -0.27 0.00 0.27 0.95 0.00 0.00 175.26 176.40 1wvx n ASN 85 N 1.22 0.21 0.18 0.83 2.04 -0.26 -4.58 115.26 114.90 1wvx n ASN 85 Ca -0.19 0.00 0.03 0.00 -0.44 0.00 0.00 54.58 53.98 1wvx n ASN 85 Cb 0.57 0.00 0.32 0.00 -2.53 0.00 0.00 39.78 38.13 1wvx n ASN 85 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 1wvx h LYS 86 N 0.00 0.00 0.00 -3.83 2.10 -2.02 -3.37 116.57 109.46 1wvx h LYS 86 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1wvx h LYS 86 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1wvx h LYS 86 CO 0.00 0.43 -1.14 0.25 -2.00 0.00 0.00 179.45 176.99 1wvx n THR 87 N -3.76 0.12 -4.41 0.07 -2.24 -1.26 -4.98 114.28 97.82 1wvx n THR 87 Ca -0.01 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 1wvx n THR 87 Cb 0.50 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 1wvx n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wvx s ASP 88 N -3.08 2.82 -0.21 3.42 1.11 -1.26 -0.68 116.67 118.80 1wvx s ASP 88 Ca -0.01 -1.12 0.02 0.00 0.18 0.00 0.00 52.55 51.61 1wvx s ASP 88 Cb 0.01 -0.18 0.04 0.00 1.07 0.00 0.00 42.92 43.86 1wvx s ASP 88 CO 0.09 -0.25 -0.15 -0.69 1.18 0.00 0.00 175.17 175.35 1wvx s VAL 89 N -2.94 2.01 -0.29 -1.27 1.01 -0.18 -1.10 120.40 117.65 1wvx s VAL 89 Ca 0.27 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1wvx s VAL 89 Cb 0.01 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1wvx s VAL 89 CO 0.11 0.28 0.16 -0.63 0.00 0.00 0.00 175.10 175.02 1wvx s ILE 90 N 1.25 4.92 -0.37 2.22 1.09 0.22 -1.38 121.20 129.15 1wvx s ILE 90 Ca -0.01 -0.08 -0.13 0.00 -1.10 0.00 0.00 60.65 59.34 1wvx s ILE 90 Cb -0.16 -3.39 0.01 0.00 -1.06 0.00 0.00 42.46 37.86 1wvx s ILE 90 CO -0.09 0.21 0.25 -0.76 -0.10 0.00 0.00 174.94 174.44 1wvx s LEU 91 N 1.69 4.73 -0.66 2.97 1.43 -0.52 -0.11 118.68 128.22 1wvx s LEU 91 Ca 0.06 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1wvx s LEU 91 Cb -0.16 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.01 1wvx s LEU 91 CO 0.08 -0.34 1.05 -0.63 0.23 0.00 0.00 176.35 176.74 1wvx s ILE 92 N 1.66 4.16 0.27 -0.59 -1.09 0.35 -0.94 121.20 125.02 1wvx s ILE 92 Ca 0.05 -0.00 0.06 0.00 -2.23 0.00 0.00 60.65 58.53 1wvx s ILE 92 Cb -0.18 -4.72 -0.03 0.00 -1.58 0.00 0.00 42.46 35.95 1wvx s ILE 92 CO 0.09 -1.50 0.35 -0.76 -1.23 0.00 0.00 174.94 171.88 1wvx s LEU 93 N 4.53 4.06 0.56 2.97 1.43 0.24 0.27 118.68 132.73 1wvx s LEU 93 Ca 0.28 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 1wvx s LEU 93 Cb -0.13 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1wvx s LEU 93 CO 0.14 -0.18 1.32 -0.70 0.23 0.00 0.00 176.35 177.15 1wvx s GLU 94 N -4.00 3.06 -0.27 1.70 2.12 -0.59 0.55 118.70 121.27 1wvx s GLU 94 Ca 0.37 2.13 -0.13 0.00 0.36 0.00 0.00 54.97 57.70 1wvx s GLU 94 Cb -0.09 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1wvx s GLU 94 CO 0.28 -1.22 0.30 -1.17 -0.54 0.00 0.00 175.26 172.91 1wvx s LEU 95 N -3.70 4.04 -1.06 2.70 2.96 -1.26 -4.40 118.68 117.95 1wvx s LEU 95 Ca 0.74 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.77 1wvx s LEU 95 Cb -0.38 -2.30 0.28 0.00 0.50 0.00 0.00 46.19 44.28 1wvx s LEU 95 CO 0.44 -0.12 1.14 1.33 -1.32 0.00 0.00 176.35 177.82 1wvx n VAL 96 N 5.01 4.45 0.26 1.68 0.24 -1.26 -4.86 118.33 123.85 1wvx n VAL 96 Ca -0.11 -5.46 0.14 0.00 -2.04 0.00 0.00 64.34 56.87 1wvx n VAL 96 Cb 0.51 -2.43 0.77 0.00 -1.47 0.00 0.00 33.84 31.22 1wvx n VAL 96 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvx h ALA 97 N 6.21 1.16 0.00 2.33 0.00 -1.46 -1.22 119.26 126.28 1wvx h ALA 97 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wvx h ALA 97 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wvx h ALA 97 CO 1.06 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1wvx n GLY 98 N -1.22 -1.26 7.00 0.00 0.00 0.14 -4.78 105.19 105.07 1wvx n GLY 98 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wvx n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvx n GLY 99 N 0.18 -0.26 3.73 -0.02 0.00 -0.46 -4.60 105.19 103.76 1wvx n GLY 99 Ca 0.03 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1wvx n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wvx s GLU 100 N 0.00 4.62 0.29 1.61 2.02 -1.26 0.10 118.70 126.08 1wvx s GLU 100 Ca 0.00 1.57 0.01 0.00 0.02 0.00 0.00 54.97 56.57 1wvx s GLU 100 Cb 0.00 -3.35 0.55 0.00 0.10 0.00 0.00 34.13 31.43 1wvx s GLU 100 CO 0.00 0.08 1.87 1.25 0.02 0.00 0.00 175.26 178.48 1wvx h LEU 101 N 5.73 0.92 -1.16 1.80 5.85 -1.41 -0.81 115.31 126.23 1wvx h LEU 101 Ca -0.43 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1wvx h LEU 101 Cb 1.21 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1wvx h LEU 101 CO 0.74 0.53 0.00 -0.26 -0.34 0.00 0.00 178.44 179.11 1wvx h PHE 102 N 1.01 0.00 0.14 1.25 -1.00 -1.86 -0.67 116.94 115.81 1wvx h PHE 102 Ca 0.45 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.94 1wvx h PHE 102 Cb 0.38 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.94 1wvx h PHE 102 CO -0.00 0.00 -1.38 -0.44 -1.61 0.00 0.00 178.31 174.88 1wvx h ASP 103 N 0.00 0.48 -0.41 2.17 3.45 -1.56 -2.65 116.42 117.90 1wvx h ASP 103 Ca 0.00 -0.55 -0.14 0.00 0.43 0.00 0.00 57.03 56.77 1wvx h ASP 103 Cb 0.57 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1wvx h ASP 103 CO 0.00 1.44 -0.26 0.15 -1.57 0.00 0.00 179.24 179.01 1wvx h PHE 104 N 0.08 1.08 -0.21 4.55 3.04 -1.11 -2.94 116.94 121.43 1wvx h PHE 104 Ca -0.19 -0.27 -0.11 0.00 3.98 0.00 0.00 57.97 61.38 1wvx h PHE 104 Cb 2.02 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 40.27 1wvx h PHE 104 CO 0.07 1.08 -0.34 -0.07 -2.02 0.00 0.00 178.31 177.04 1wvx h LEU 105 N 0.79 0.45 -1.30 0.59 4.07 -1.19 -2.34 115.31 116.39 1wvx h LEU 105 Ca 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1wvx h LEU 105 Cb 0.83 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1wvx h LEU 105 CO 0.07 0.76 0.00 0.00 -1.08 0.00 0.00 178.44 178.19 1wvx h ALA 106 N 1.27 1.00 -0.25 1.53 0.00 -1.30 -2.13 119.26 119.37 1wvx h ALA 106 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wvx h ALA 106 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wvx h ALA 106 CO 0.06 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.70 1wvx n GLU 107 N -2.63 2.02 -4.43 0.00 1.02 -0.88 -4.93 120.64 110.81 1wvx n GLU 107 Ca 0.01 -1.54 -0.21 0.00 -0.02 0.00 0.00 57.16 55.40 1wvx n GLU 107 Cb 0.22 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 1wvx n GLU 107 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wvx s LYS 108 N -1.68 1.59 0.55 3.49 1.02 -0.80 -5.10 119.74 118.81 1wvx s LYS 108 Ca 0.34 -1.86 -0.20 0.00 0.02 0.00 0.00 55.97 54.27 1wvx s LYS 108 Cb 0.19 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 1wvx s LYS 108 CO 0.28 -0.14 1.17 -1.21 -0.92 0.00 0.00 175.35 174.53 1wvx s GLU 109 N -3.86 3.27 -0.15 1.68 2.02 -1.26 -4.85 118.70 115.55 1wvx s GLU 109 Ca 0.34 1.73 -0.41 0.00 0.02 0.00 0.00 54.97 56.65 1wvx s GLU 109 Cb 0.08 -2.04 -0.19 0.00 0.10 0.00 0.00 34.13 32.07 1wvx s GLU 109 CO 0.14 -0.94 1.33 0.43 0.02 0.00 0.00 175.26 176.24 1wvx n SER 110 N -1.28 0.85 -4.77 -0.19 7.64 -1.26 -4.89 113.62 109.73 1wvx n SER 110 Ca 0.12 1.15 -0.37 0.00 1.01 0.00 0.00 58.87 60.78 1wvx n SER 110 Cb 0.50 -0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 62.72 1wvx n SER 110 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wvx s LEU 111 N 1.28 3.99 0.70 -3.43 1.43 -1.26 -5.01 118.68 116.38 1wvx s LEU 111 Ca 0.95 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 56.26 1wvx s LEU 111 Cb -1.26 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 40.71 1wvx s LEU 111 CO 0.63 -0.97 1.07 0.28 0.23 0.00 0.00 176.35 177.58 1wvx s THR 112 N -1.54 3.86 0.48 5.49 -1.32 -1.26 -4.79 115.64 116.56 1wvx s THR 112 Ca 0.65 0.62 0.17 0.00 -1.21 0.00 0.00 61.69 61.92 1wvx s THR 112 Cb -0.29 -3.30 0.32 0.00 -1.51 0.00 0.00 72.50 67.73 1wvx s THR 112 CO 0.35 -0.77 2.04 -0.08 -2.21 0.00 0.00 174.62 173.95 1wvx h GLU 113 N -0.73 0.21 -0.20 7.08 4.81 -1.95 -0.53 114.58 123.27 1wvx h GLU 113 Ca -0.44 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1wvx h GLU 113 Cb 1.22 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wvx h GLU 113 CO 0.56 0.14 -0.12 1.49 -0.73 0.00 0.00 179.01 180.35 1wvx h GLU 114 N 0.21 0.43 -0.53 1.92 4.81 -1.99 -2.05 114.58 117.38 1wvx h GLU 114 Ca 0.18 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1wvx h GLU 114 Cb 0.45 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1wvx h GLU 114 CO -0.03 0.74 0.10 0.93 -0.73 0.00 0.00 179.01 180.02 1wvx h GLU 115 N 0.12 0.83 -0.84 1.92 5.08 -1.67 -2.03 114.58 117.99 1wvx h GLU 115 Ca 0.04 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1wvx h GLU 115 Cb 0.62 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1wvx h GLU 115 CO 0.03 0.76 0.39 0.00 -1.00 0.00 0.00 179.01 179.20 1wvx h ALA 116 N 1.32 1.11 -0.05 3.43 0.00 -1.04 -1.85 119.26 122.18 1wvx h ALA 116 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wvx h ALA 116 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wvx h ALA 116 CO 0.00 0.66 -0.22 1.15 0.00 0.00 0.00 179.25 180.84 1wvx h THR 117 N 1.20 1.19 -0.53 0.00 2.02 -0.70 -2.08 112.91 113.99 1wvx h THR 117 Ca 0.29 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1wvx h THR 117 Cb 0.13 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1wvx h THR 117 CO -0.03 0.26 0.30 -0.08 0.37 0.00 0.00 175.52 176.33 1wvx h GLU 118 N 0.08 0.57 -0.10 6.66 4.81 -0.67 -1.01 114.58 124.92 1wvx h GLU 118 Ca 0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1wvx h GLU 118 Cb 0.44 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1wvx h GLU 118 CO 0.03 0.38 -0.21 0.74 -0.73 0.00 0.00 179.01 179.22 1wvx h PHE 119 N 0.59 0.40 -0.91 0.92 0.04 -1.40 -3.24 116.94 113.33 1wvx h PHE 119 Ca 0.22 -0.15 0.11 0.00 2.80 0.00 0.00 57.97 60.96 1wvx h PHE 119 Cb 0.08 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 1wvx h PHE 119 CO -0.08 0.82 0.59 1.25 -0.60 0.00 0.00 178.31 180.29 1wvx h LEU 120 N -0.13 0.80 -0.81 1.54 7.12 -1.17 -1.25 115.31 121.41 1wvx h LEU 120 Ca 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1wvx h LEU 120 Cb 0.80 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.76 1wvx h LEU 120 CO 0.05 0.45 0.48 0.11 -0.13 0.00 0.00 178.44 179.40 1wvx h LYS 121 N 0.87 1.11 -0.49 1.25 1.57 -1.22 0.29 116.57 119.96 1wvx h LYS 121 Ca 0.44 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1wvx h LYS 121 Cb 0.48 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1wvx h LYS 121 CO -0.20 0.79 0.30 1.96 -0.57 0.00 0.00 179.45 181.73 1wvx h GLN 122 N 1.11 0.58 -0.19 3.15 4.20 -1.27 0.19 115.11 122.89 1wvx h GLN 122 Ca 0.29 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.00 1wvx h GLN 122 Cb -0.02 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1wvx h GLN 122 CO -0.05 0.39 -0.01 0.82 -0.67 0.00 0.00 178.83 179.30 1wvx h ILE 123 N 0.60 0.86 -0.59 2.54 2.04 -0.88 -1.77 117.51 120.31 1wvx h ILE 123 Ca 0.19 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1wvx h ILE 123 Cb -0.01 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1wvx h ILE 123 CO -0.07 0.01 0.29 -0.07 0.00 0.00 0.00 178.15 178.30 1wvx h LEU 124 N 0.05 0.39 -0.36 1.44 3.38 -0.06 -0.63 115.31 119.51 1wvx h LEU 124 Ca 0.09 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1wvx h LEU 124 Cb 0.11 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1wvx h LEU 124 CO -0.16 0.25 -0.02 0.78 0.09 0.00 0.00 178.44 179.39 1wvx h ASN 125 N 0.53 -0.18 -0.39 -0.43 2.35 0.07 0.74 115.58 118.26 1wvx h ASN 125 Ca 0.28 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1wvx h ASN 125 Cb 0.23 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1wvx h ASN 125 CO -0.21 -0.05 0.22 1.23 -1.65 0.00 0.00 177.43 176.96 1wvx h GLY 126 N 0.08 0.57 2.00 2.83 0.00 -0.72 -0.46 103.07 107.37 1wvx h GLY 126 Ca 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1wvx h GLY 126 CO -0.31 0.24 -0.33 -2.08 0.00 0.00 0.00 176.54 174.06 1wvx h VAL 127 N 0.50 1.23 -0.80 4.60 2.07 -0.29 -0.50 116.25 123.06 1wvx h VAL 127 Ca 0.14 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1wvx h VAL 127 Cb 0.04 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1wvx h VAL 127 CO -0.02 0.33 0.33 0.22 0.02 0.00 0.00 177.57 178.44 1wvx h TYR 128 N 0.00 1.21 -0.06 1.57 3.20 0.13 0.15 116.97 123.16 1wvx h TYR 128 Ca -0.00 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1wvx h TYR 128 Cb 0.59 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1wvx h TYR 128 CO 0.00 0.90 -0.00 -0.92 -1.64 0.00 0.00 178.16 176.50 1wvx h TYR 129 N 1.16 0.13 -0.20 -3.82 3.20 -0.15 -1.33 116.97 115.95 1wvx h TYR 129 Ca 0.27 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1wvx h TYR 129 Cb 0.20 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1wvx h TYR 129 CO 0.02 0.40 0.08 -0.07 -1.64 0.00 0.00 178.16 176.96 1wvx h LEU 130 N -0.19 0.11 -1.17 2.82 3.38 -0.75 -1.81 115.31 117.70 1wvx h LEU 130 Ca 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1wvx h LEU 130 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wvx h LEU 130 CO 0.00 0.09 -0.40 0.45 0.09 0.00 0.00 178.44 178.68 1wvx h HIS 131 N 0.19 0.00 0.00 1.13 3.86 -0.74 0.01 115.15 119.60 1wvx h HIS 131 Ca 0.08 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1wvx h HIS 131 Cb 0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1wvx h HIS 131 CO -0.10 0.40 -0.11 0.77 0.86 0.00 0.00 177.93 179.75 1wvx h SER 132 N 0.00 0.00 -0.56 2.45 0.02 -0.54 0.18 113.55 115.10 1wvx h SER 132 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wvx h SER 132 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1wvx h SER 132 CO 0.05 0.11 0.00 0.18 -1.14 0.00 0.00 176.83 176.04 1wvx n LEU 133 N -3.64 4.78 -2.32 5.07 7.99 -0.40 -4.92 117.00 123.56 1wvx n LEU 133 Ca -0.02 -2.42 -0.18 0.00 -0.01 0.00 0.00 56.01 53.38 1wvx n LEU 133 Cb 0.23 -0.60 -0.02 0.00 -0.11 0.00 0.00 43.42 42.92 1wvx n LEU 133 CO 0.30 0.68 -0.23 0.00 -1.51 0.00 0.00 177.39 176.63 1wvx n GLN 134 N 0.83 -1.80 -4.17 3.23 1.13 0.64 -4.92 117.38 112.32 1wvx n GLN 134 Ca 0.24 0.91 -0.34 0.00 -1.94 0.00 0.00 57.00 55.87 1wvx n GLN 134 Cb 0.95 -5.53 -0.13 0.00 0.11 0.00 0.00 30.24 25.64 1wvx n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wvx s ILE 135 N -2.88 3.66 -0.15 5.09 1.01 -0.15 -1.23 121.20 126.55 1wvx s ILE 135 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1wvx s ILE 135 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1wvx s ILE 135 CO 0.00 0.45 0.08 0.00 0.00 0.00 0.00 174.94 175.47 1wvx s ALA 136 N 0.95 3.54 0.01 9.38 0.00 -0.25 -3.65 121.76 131.74 1wvx s ALA 136 Ca 0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 1wvx s ALA 136 Cb -0.15 -1.89 -0.17 0.00 0.00 0.00 0.00 23.12 20.92 1wvx s ALA 136 CO 0.01 0.35 1.29 1.25 0.00 0.00 0.00 175.76 178.66 1wvx h HIS 137 N 6.02 0.32 -0.42 0.00 2.76 -1.91 0.55 115.15 122.47 1wvx h HIS 137 Ca -0.44 -0.11 -0.18 0.00 -2.20 0.00 0.00 60.37 57.44 1wvx h HIS 137 Cb 1.18 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 30.01 1wvx h HIS 137 CO 0.62 0.72 -0.17 1.19 -1.30 0.00 0.00 177.93 179.00 1wvx n PHE 138 N -4.61 0.00 -2.67 5.26 0.99 -1.26 -1.60 117.46 113.56 1wvx n PHE 138 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.35 1wvx n PHE 138 Cb 0.36 -2.11 0.12 0.00 -1.00 0.00 0.00 39.48 36.85 1wvx n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1wvx n ASP 139 N -0.48 -1.55 -4.71 4.37 2.03 -1.26 -4.69 116.55 110.26 1wvx n ASP 139 Ca -0.09 -2.25 -0.42 0.00 0.52 0.00 0.00 54.79 52.55 1wvx n ASP 139 Cb 0.43 0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 41.56 1wvx n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wvx s LEU 140 N -3.78 4.37 -0.16 -2.67 1.43 -1.26 -4.85 118.68 111.76 1wvx s LEU 140 Ca 0.12 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.66 1wvx s LEU 140 Cb 0.42 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 43.21 1wvx s LEU 140 CO -0.12 -0.31 1.04 -1.59 0.23 0.00 0.00 176.35 175.61 1wvx s LYS 141 N 1.04 0.53 0.17 1.70 -2.85 -1.26 -4.89 119.74 114.18 1wvx s LYS 141 Ca 0.54 0.06 -0.14 0.00 -1.00 0.00 0.00 55.97 55.42 1wvx s LYS 141 Cb -0.23 0.25 0.15 0.00 -2.06 0.00 0.00 37.83 35.94 1wvx s LYS 141 CO 0.28 -0.18 1.16 -2.30 0.10 0.00 0.00 175.35 174.41 1wvx n PRO 142 N 0.54 -0.20 0.29 1.78 -0.02 -1.26 0.88 135.00 137.02 1wvx n PRO 142 Ca -0.08 1.15 0.17 0.00 -2.02 0.00 0.00 63.50 62.72 1wvx n PRO 142 Cb 0.58 -1.71 0.85 0.00 -0.02 0.00 0.00 33.50 33.21 1wvx n PRO 142 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wvx h GLU 143 N 0.00 0.00 -0.34 -0.52 5.08 -1.97 0.17 114.58 117.00 1wvx h GLU 143 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1wvx h GLU 143 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wvx h GLU 143 CO -0.74 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.36 1wvx n ASN 144 N -3.08 2.71 -4.26 1.42 3.02 0.25 -4.69 115.26 110.62 1wvx n ASN 144 Ca -0.01 -1.90 -0.44 0.00 -0.03 0.00 0.00 54.58 52.21 1wvx n ASN 144 Cb 0.38 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1wvx n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wvx s ILE 145 N -1.55 4.91 0.48 2.41 -1.09 0.61 -1.95 121.20 125.01 1wvx s ILE 145 Ca 0.36 -2.09 0.05 0.00 -2.23 0.00 0.00 60.65 56.74 1wvx s ILE 145 Cb 0.20 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1wvx s ILE 145 CO 0.28 -0.90 0.66 -0.04 -1.23 0.00 0.00 174.94 173.71 1wvx s MET 146 N 0.84 2.70 -0.09 2.79 -1.94 -0.12 -1.16 119.30 122.33 1wvx s MET 146 Ca 0.11 -1.05 0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1wvx s MET 146 Cb -0.21 -2.64 -0.00 0.00 2.01 0.00 0.00 34.83 33.98 1wvx s MET 146 CO -0.03 -0.46 -0.23 -0.51 -0.01 0.00 0.00 175.02 173.78 1wvx s LEU 147 N -4.53 2.04 0.05 -0.03 1.43 0.12 -0.10 118.68 117.67 1wvx s LEU 147 Ca 0.56 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 1wvx s LEU 147 Cb -0.10 -1.34 -0.17 0.00 0.03 0.00 0.00 46.19 44.61 1wvx s LEU 147 CO 0.35 0.17 1.53 0.25 0.23 0.00 0.00 176.35 178.88 1wvx h LEU 148 N 6.58 -0.25 -7.42 1.79 6.46 -1.22 0.39 115.31 121.64 1wvx h LEU 148 Ca -0.23 -0.10 -0.24 0.00 -0.12 0.00 0.00 57.88 57.19 1wvx h LEU 148 Cb 1.22 0.06 -0.32 0.00 -0.73 0.00 0.00 40.66 40.90 1wvx h LEU 148 CO 0.47 -0.05 -0.59 -0.62 -0.62 0.00 0.00 178.44 177.03 1wvx s ASP 149 N -5.06 -0.12 0.00 1.25 -1.08 -1.26 -2.01 116.67 108.38 1wvx s ASP 149 Ca -0.15 0.32 0.23 0.00 -0.52 0.00 0.00 52.55 52.43 1wvx s ASP 149 Cb 0.04 0.20 0.29 0.00 -1.46 0.00 0.00 42.92 41.99 1wvx s ASP 149 CO 0.63 -0.15 1.30 -2.11 0.52 0.00 0.00 175.17 175.36 1wvx n ARG 150 N 4.21 2.33 -1.59 4.34 1.85 -1.26 -4.29 116.66 122.25 1wvx n ARG 150 Ca -0.26 -2.05 -0.30 0.00 -1.00 0.00 0.00 57.85 54.23 1wvx n ARG 150 Cb 0.52 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.52 1wvx n ARG 150 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1wvx n ASN 151 N 1.37 6.58 -4.31 2.89 3.02 -1.26 -4.96 115.26 118.59 1wvx n ASN 151 Ca 0.16 -3.77 -0.16 0.00 -0.03 0.00 0.00 54.58 50.77 1wvx n ASN 151 Cb 0.59 -0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 1wvx n ASN 151 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1wvx s VAL 152 N -4.72 1.18 0.03 2.41 -7.23 -1.26 -5.08 120.40 105.73 1wvx s VAL 152 Ca 0.59 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1wvx s VAL 152 Cb 0.47 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1wvx s VAL 152 CO 0.01 -0.49 1.14 -0.65 -0.31 0.00 0.00 175.10 174.80 1wvx h PRO 153 N 2.57 -0.08 -3.47 4.82 0.11 -1.96 -3.33 132.00 130.66 1wvx h PRO 153 Ca -0.38 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.10 1wvx h PRO 153 Cb 1.21 0.02 -0.41 0.00 0.11 0.00 0.00 31.00 31.93 1wvx h PRO 153 CO 0.64 -0.06 -0.65 0.15 -0.21 0.00 0.00 178.00 177.88 1wvx s LYS 154 N -3.65 1.85 0.32 1.05 1.02 -1.26 -5.10 119.74 113.97 1wvx s LYS 154 Ca -0.03 -2.48 -0.28 0.00 0.02 0.00 0.00 55.97 53.19 1wvx s LYS 154 Cb 0.02 -3.20 -0.13 0.00 -0.52 0.00 0.00 37.83 34.00 1wvx s LYS 154 CO 0.15 -1.10 1.17 -0.35 -0.92 0.00 0.00 175.35 174.31 1wvx n PRO 155 N 3.27 1.80 -3.26 -1.68 -0.04 -1.25 -4.98 135.00 128.86 1wvx n PRO 155 Ca 0.05 0.63 -0.39 0.00 -0.04 0.00 0.00 63.50 63.76 1wvx n PRO 155 Cb 0.33 -2.13 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 1wvx n PRO 155 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wvx s ARG 156 N -1.75 4.22 -0.08 0.54 3.52 -1.26 -4.97 118.95 119.16 1wvx s ARG 156 Ca 0.57 0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 56.89 1wvx s ARG 156 Cb -0.62 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 1wvx s ARG 156 CO 0.61 0.63 0.07 0.96 -0.81 0.00 0.00 175.30 176.77 1wvx s ILE 157 N -1.12 4.88 -0.05 4.11 -5.25 -1.26 -0.73 121.20 121.78 1wvx s ILE 157 Ca 0.29 -0.10 0.05 0.00 -0.99 0.00 0.00 60.65 59.91 1wvx s ILE 157 Cb -0.20 -3.12 -0.00 0.00 2.95 0.00 0.00 42.46 42.09 1wvx s ILE 157 CO 0.19 0.56 -0.19 -0.54 -1.79 0.00 0.00 174.94 173.18 1wvx s LYS 158 N -1.11 1.94 -0.12 0.37 -0.14 0.86 -4.36 119.74 117.18 1wvx s LYS 158 Ca 0.16 -0.67 -0.22 0.00 -1.36 0.00 0.00 55.97 53.88 1wvx s LYS 158 Cb -0.12 -1.67 -0.03 0.00 -1.68 0.00 0.00 37.83 34.33 1wvx s LYS 158 CO 0.05 0.27 0.65 0.42 -0.76 0.00 0.00 175.35 175.98 1wvx s ILE 159 N 0.00 5.05 0.36 2.17 1.01 0.13 -0.95 121.20 128.97 1wvx s ILE 159 Ca -0.04 1.30 0.01 0.00 0.00 0.00 0.00 60.65 61.92 1wvx s ILE 159 Cb -0.12 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1wvx s ILE 159 CO 0.03 0.21 0.06 2.30 0.00 0.00 0.00 174.94 177.53 1wvx n ILE 160 N 4.10 0.00 -2.76 2.92 -5.35 -0.82 -1.93 119.36 115.53 1wvx n ILE 160 Ca -0.02 -1.62 -0.00 0.00 -0.27 0.00 0.00 62.75 60.84 1wvx n ILE 160 Cb 0.51 0.22 -0.00 0.00 -1.74 0.00 0.00 39.64 38.62 1wvx n ILE 160 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1wvx n ASP 161 N -1.36 -7.78 -1.77 7.28 8.00 -1.26 -4.91 116.55 114.75 1wvx n ASP 161 Ca -0.12 1.36 0.03 0.00 0.71 0.00 0.00 54.79 56.78 1wvx n ASP 161 Cb 0.44 -5.05 0.36 0.00 -0.02 0.00 0.00 41.12 36.85 1wvx n ASP 161 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wvx n PHE 162 N 0.78 2.01 0.31 1.24 3.72 -1.26 -4.56 117.46 119.71 1wvx n PHE 162 Ca -0.01 -0.90 0.19 0.00 -0.05 0.00 0.00 57.45 56.67 1wvx n PHE 162 Cb 0.06 -0.54 1.02 0.00 -0.94 0.00 0.00 39.48 39.07 1wvx n PHE 162 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1wvx h GLY 163 N 3.26 0.00 0.00 1.37 0.00 -1.92 -2.12 103.07 103.66 1wvx h GLY 163 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1wvx h GLY 163 CO 0.52 0.00 -0.73 1.04 0.00 0.00 0.00 176.54 177.38 1wvx n LEU 164 N -3.41 0.51 -4.59 3.11 4.32 -1.26 -4.92 117.00 110.76 1wvx n LEU 164 Ca -0.03 -0.43 -0.41 0.00 -0.02 0.00 0.00 56.01 55.12 1wvx n LEU 164 Cb 0.12 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.93 1wvx n LEU 164 CO 0.24 0.13 0.51 0.00 -1.22 0.00 0.00 177.39 177.06 1wvx n ALA 165 N -1.39 -0.02 -2.74 -1.18 0.00 -0.63 -4.65 120.51 109.91 1wvx n ALA 165 Ca 0.02 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 1wvx n ALA 165 Cb 0.22 -2.05 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1wvx n ALA 165 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wvx s HIS 166 N -1.34 0.27 -0.59 0.00 3.76 0.18 -4.86 115.29 112.71 1wvx s HIS 166 Ca 0.65 -0.58 -0.18 0.00 -0.15 0.00 0.00 55.06 54.79 1wvx s HIS 166 Cb -0.54 -0.20 0.11 0.00 1.11 0.00 0.00 32.58 33.06 1wvx s HIS 166 CO 0.56 -0.29 0.67 0.21 -0.85 0.00 0.00 174.74 175.04 1wvx s LYS 167 N -2.28 3.05 -0.41 1.40 2.47 -1.26 -1.09 119.74 121.61 1wvx s LYS 167 Ca -0.08 -1.42 -0.28 0.00 -1.56 0.00 0.00 55.97 52.63 1wvx s LYS 167 Cb -0.04 -4.28 -0.02 0.00 -1.46 0.00 0.00 37.83 32.03 1wvx s LYS 167 CO -0.04 -1.50 1.82 0.42 0.16 0.00 0.00 175.35 176.21 1wvx s ILE 168 N 2.44 3.45 0.00 5.43 1.01 -0.37 -4.98 121.20 128.18 1wvx s ILE 168 Ca 0.10 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.25 1wvx s ILE 168 Cb -0.25 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1wvx s ILE 168 CO 0.05 -0.54 -0.25 -1.81 0.00 0.00 0.00 174.94 172.39 1wvx s ASP 169 N 6.70 3.20 1.09 3.58 1.01 -1.26 -4.87 116.67 126.12 1wvx s ASP 169 Ca 0.76 -0.49 -0.16 0.00 0.71 0.00 0.00 52.55 53.38 1wvx s ASP 169 Cb -0.19 -0.37 0.14 0.00 1.01 0.00 0.00 42.92 43.50 1wvx s ASP 169 CO 0.30 0.30 0.40 0.33 0.21 0.00 0.00 175.17 176.71 1wvx n PHE 170 N 2.17 -1.25 0.00 4.23 7.35 -1.26 -3.73 117.46 124.97 1wvx n PHE 170 Ca -0.16 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1wvx n PHE 170 Cb 0.51 -1.66 0.00 0.00 0.35 0.00 0.00 39.48 38.68 1wvx n PHE 170 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wvx n GLY 171 N 1.57 2.21 2.85 7.13 0.00 -1.26 -4.96 105.19 112.73 1wvx n GLY 171 Ca 0.03 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 1wvx n GLY 171 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvx s ASN 172 N 0.00 0.80 0.79 1.61 0.01 -1.24 -5.14 114.94 111.76 1wvx s ASN 172 Ca 0.00 -0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 1wvx s ASN 172 Cb 0.00 -0.36 0.06 0.00 0.41 0.00 0.00 41.25 41.37 1wvx s ASN 172 CO 0.00 -0.09 1.09 -1.61 -1.51 0.00 0.00 177.10 174.98 1wvx s GLU 173 N 1.06 2.15 -0.08 -0.60 2.02 -1.26 -4.79 118.70 117.20 1wvx s GLU 173 Ca -0.09 0.78 0.02 0.00 0.02 0.00 0.00 54.97 55.70 1wvx s GLU 173 Cb -0.14 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1wvx s GLU 173 CO -0.01 -1.61 -0.15 0.12 0.02 0.00 0.00 175.26 173.63 1wvx s PHE 174 N -3.08 1.71 -0.16 1.61 5.36 -1.26 -5.02 117.98 117.14 1wvx s PHE 174 Ca 0.61 -0.67 -0.14 0.00 -0.96 0.00 0.00 56.93 55.76 1wvx s PHE 174 Cb -0.15 -1.23 -0.11 0.00 -0.34 0.00 0.00 43.02 41.20 1wvx s PHE 174 CO 0.55 -0.33 0.08 0.87 -1.46 0.00 0.00 175.22 174.93 1wvx h LYS 175 N 6.99 0.00 -2.25 10.12 1.79 -1.91 0.87 116.57 132.18 1wvx h LYS 175 Ca -0.29 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.12 1wvx h LYS 175 Cb 1.19 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.66 1wvx h LYS 175 CO 0.47 0.46 0.12 1.21 -1.08 0.00 0.00 179.45 180.63 1wvx s ASN 176 N -6.17 -0.58 0.00 0.86 3.84 -1.26 -3.99 114.94 107.65 1wvx s ASN 176 Ca -0.19 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.44 1wvx s ASN 176 Cb 0.03 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.24 1wvx s ASN 176 CO 0.37 -0.62 0.00 0.00 -2.79 0.00 0.00 177.10 174.07 1wvx n ILE 177 N 0.85 0.00 -3.68 -5.21 0.13 -1.26 -5.18 119.36 105.01 1wvx n ILE 177 Ca -0.19 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.42 1wvx n ILE 177 Cb 0.58 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 39.39 1wvx n ILE 177 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 1wvx n PHE 178 N 0.00 -1.50 0.00 9.51 1.16 -1.26 -5.03 117.46 120.34 1wvx n PHE 178 Ca 0.00 -1.09 0.00 0.00 -1.87 0.00 0.00 57.45 54.49 1wvx n PHE 178 Cb 0.00 0.54 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 1wvx n PHE 178 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1wvx n GLY 179 N -0.46 3.96 3.43 4.97 0.00 -1.26 -5.08 105.19 110.75 1wvx n GLY 179 Ca -0.04 -0.46 -0.55 0.00 0.00 0.00 0.00 46.02 44.96 1wvx n GLY 179 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wvx n THR 180 N 0.00 0.14 -0.19 2.61 -1.04 -1.26 -4.87 114.28 109.67 1wvx n THR 180 Ca 0.00 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1wvx n THR 180 Cb 0.00 -1.16 0.09 0.00 -1.82 0.00 0.00 70.33 67.44 1wvx n THR 180 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1wvx h PRO 181 N 10.21 0.20 -0.54 -2.82 0.11 -1.97 -1.41 132.00 135.78 1wvx h PRO 181 Ca -0.25 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.00 1wvx h PRO 181 Cb 1.35 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1wvx h PRO 181 CO 1.03 0.13 0.73 1.49 -0.21 0.00 0.00 178.00 181.17 1wvx h GLU 182 N 0.21 0.00 -0.00 1.05 4.81 -1.92 -2.10 114.58 116.62 1wvx h GLU 182 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1wvx h GLU 182 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1wvx h GLU 182 CO -0.42 0.00 -0.09 1.19 -0.73 0.00 0.00 179.01 178.96 1wvx n PHE 183 N -3.37 0.00 -2.57 0.92 3.01 -0.55 -4.73 117.46 110.16 1wvx n PHE 183 Ca 0.11 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.28 1wvx n PHE 183 Cb 0.92 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.38 1wvx n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wvx s VAL 184 N -0.84 4.80 0.56 -4.37 -7.23 -0.79 -4.33 120.40 108.19 1wvx s VAL 184 Ca 0.04 0.55 -0.07 0.00 -1.81 0.00 0.00 61.98 60.69 1wvx s VAL 184 Cb 0.04 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 1wvx s VAL 184 CO 0.11 -0.76 0.89 0.00 -0.31 0.00 0.00 175.10 175.04 1wvx s ALA 185 N -2.66 3.27 0.44 1.32 0.00 -1.26 -4.94 121.76 117.92 1wvx s ALA 185 Ca 0.51 -0.42 0.16 0.00 0.00 0.00 0.00 51.96 52.20 1wvx s ALA 185 Cb -0.10 -2.75 1.07 0.00 0.00 0.00 0.00 23.12 21.34 1wvx s ALA 185 CO 0.40 -0.59 1.95 -1.00 0.00 0.00 0.00 175.76 176.52 1wvx h PRO 186 N -0.06 0.37 -0.98 0.00 0.13 -1.89 -0.96 132.00 128.60 1wvx h PRO 186 Ca -0.46 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1wvx h PRO 186 Cb 1.21 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1wvx h PRO 186 CO 0.62 0.24 0.62 0.93 -0.23 0.00 0.00 178.00 180.18 1wvx h GLU 187 N 0.38 1.06 -0.26 0.86 3.07 -1.90 0.16 114.58 117.95 1wvx h GLU 187 Ca 0.32 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.96 1wvx h GLU 187 Cb 0.75 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1wvx h GLU 187 CO -0.09 0.70 -0.49 0.82 -1.40 0.00 0.00 179.01 178.56 1wvx h ILE 188 N 1.10 1.30 -0.44 3.13 2.04 -1.45 0.14 117.51 123.32 1wvx h ILE 188 Ca 0.44 -1.69 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 1wvx h ILE 188 Cb 0.24 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1wvx h ILE 188 CO -0.20 0.54 -0.27 0.58 0.00 0.00 0.00 178.15 178.81 1wvx h VAL 189 N 0.55 1.27 -0.45 1.67 2.07 -0.86 -2.98 116.25 117.52 1wvx h VAL 189 Ca 0.03 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1wvx h VAL 189 Cb 1.04 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1wvx h VAL 189 CO 0.10 0.49 0.00 0.59 0.02 0.00 0.00 177.57 178.77 1wvx n ASN 190 N -4.09 4.67 -4.27 0.57 3.02 -0.08 -4.93 115.26 110.15 1wvx n ASN 190 Ca -0.01 -2.72 -0.30 0.00 -0.03 0.00 0.00 54.58 51.52 1wvx n ASN 190 Cb 0.48 -0.64 -0.09 0.00 -0.61 0.00 0.00 39.78 38.92 1wvx n ASN 190 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wvx n TYR 191 N 0.49 -1.32 -3.75 3.10 4.02 -0.92 -4.95 117.16 113.84 1wvx n TYR 191 Ca 0.21 0.63 -0.20 0.00 -0.01 0.00 0.00 57.90 58.53 1wvx n TYR 191 Cb 0.99 -2.94 -0.02 0.00 -0.02 0.00 0.00 39.34 37.35 1wvx n TYR 191 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1wvx s GLU 192 N -7.26 2.98 0.21 -0.72 2.02 0.44 -4.87 118.70 111.50 1wvx s GLU 192 Ca 0.01 -1.10 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 1wvx s GLU 192 Cb -0.00 -2.66 -0.15 0.00 0.10 0.00 0.00 34.13 31.41 1wvx s GLU 192 CO 0.98 0.16 1.11 -0.35 0.02 0.00 0.00 175.26 177.18 1wvx n PRO 193 N -1.45 1.21 -3.82 0.39 -0.04 -1.26 -4.64 135.00 125.38 1wvx n PRO 193 Ca -0.03 0.43 -0.21 0.00 -0.04 0.00 0.00 63.50 63.65 1wvx n PRO 193 Cb 0.59 -1.88 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1wvx n PRO 193 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wvx s LEU 194 N 0.66 3.51 0.00 1.53 1.43 0.30 -4.94 118.68 121.17 1wvx s LEU 194 Ca 0.69 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1wvx s LEU 194 Cb -0.81 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1wvx s LEU 194 CO 0.54 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1wvx n GLY 195 N -1.36 1.48 0.23 -3.19 0.00 -1.26 -4.53 105.19 96.56 1wvx n GLY 195 Ca -0.01 -0.75 0.16 0.00 0.00 0.00 0.00 46.02 45.42 1wvx n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wvx h LEU 196 N 0.00 0.00 -1.11 0.99 -0.00 -1.97 -2.92 115.31 110.30 1wvx h LEU 196 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1wvx h LEU 196 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 1wvx h LEU 196 CO 0.00 0.00 0.52 -0.33 -0.00 0.00 0.00 178.44 178.63 1wvx h GLU 197 N 0.00 1.13 -0.93 1.13 3.07 -1.94 -2.66 114.58 114.38 1wvx h GLU 197 Ca 0.00 -0.09 0.13 0.00 -0.50 0.00 0.00 59.36 58.90 1wvx h GLU 197 Cb 0.19 -0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 27.77 1wvx h GLU 197 CO 0.00 0.78 0.55 0.00 -1.40 0.00 0.00 179.01 178.94 1wvx h ALA 198 N 1.42 1.39 -0.74 3.43 0.00 -1.93 0.36 119.26 123.20 1wvx h ALA 198 Ca 0.30 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1wvx h ALA 198 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1wvx h ALA 198 CO -0.06 0.10 0.31 -0.44 0.00 0.00 0.00 179.25 179.17 1wvx h ASP 199 N 0.84 0.99 -0.81 0.00 3.32 -1.68 -2.27 116.42 116.81 1wvx h ASP 199 Ca 0.47 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1wvx h ASP 199 Cb 0.53 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1wvx h ASP 199 CO -0.29 0.87 0.35 0.24 -1.72 0.00 0.00 179.24 178.68 1wvx h MET 200 N 1.06 1.20 0.08 3.56 2.86 -0.93 -0.92 114.93 121.85 1wvx h MET 200 Ca 0.25 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1wvx h MET 200 Cb 0.17 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1wvx h MET 200 CO -0.02 0.95 -0.15 2.35 1.06 0.00 0.00 176.91 181.10 1wvx h TRP 201 N 1.18 -0.39 -0.92 -0.22 2.91 -0.79 -1.64 115.95 116.08 1wvx h TRP 201 Ca 0.27 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.40 1wvx h TRP 201 Cb 0.18 0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 28.93 1wvx h TRP 201 CO 0.02 -0.23 0.60 0.77 -1.03 0.00 0.00 178.44 178.57 1wvx h SER 202 N -0.29 0.86 -0.49 2.65 0.02 -1.06 -0.22 113.55 115.02 1wvx h SER 202 Ca 0.02 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1wvx h SER 202 Cb 0.31 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1wvx h SER 202 CO -0.09 0.51 0.30 0.40 -1.14 0.00 0.00 176.83 176.81 1wvx h ILE 203 N 0.95 1.07 -1.01 3.27 2.04 -0.41 0.29 117.51 123.71 1wvx h ILE 203 Ca 0.43 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 66.11 1wvx h ILE 203 Cb 0.37 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1wvx h ILE 203 CO -0.19 0.11 0.66 1.23 0.00 0.00 0.00 178.15 179.96 1wvx h GLY 204 N 0.60 1.46 0.99 5.37 0.00 -0.18 0.59 103.07 111.91 1wvx h GLY 204 Ca 0.19 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1wvx h GLY 204 CO -0.08 0.45 -0.04 -2.08 0.00 0.00 0.00 176.54 174.79 1wvx h VAL 205 N 1.29 1.27 -0.64 4.60 2.07 -0.27 -1.73 116.25 122.84 1wvx h VAL 205 Ca 0.40 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1wvx h VAL 205 Cb -0.03 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1wvx h VAL 205 CO -0.12 0.38 0.21 0.40 0.02 0.00 0.00 177.57 178.47 1wvx h ILE 206 N 0.65 1.25 -0.57 4.57 2.04 0.30 -2.31 117.51 123.44 1wvx h ILE 206 Ca 0.12 -0.84 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1wvx h ILE 206 Cb 0.56 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1wvx h ILE 206 CO 0.03 0.32 -0.04 0.71 0.00 0.00 0.00 178.15 179.18 1wvx h THR 207 N 0.93 1.27 -0.71 -0.27 1.35 -0.77 0.96 112.91 115.66 1wvx h THR 207 Ca 0.21 -1.18 0.10 0.00 -0.55 0.00 0.00 66.41 64.98 1wvx h THR 207 Cb 0.28 0.87 -0.07 0.00 -1.73 0.00 0.00 68.15 67.50 1wvx h THR 207 CO -0.01 0.43 0.34 0.22 -0.25 0.00 0.00 175.52 176.25 1wvx h TYR 208 N 0.93 0.61 -0.18 4.73 5.03 -1.07 0.91 116.97 127.93 1wvx h TYR 208 Ca 0.16 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.30 1wvx h TYR 208 Cb 0.60 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1wvx h TYR 208 CO 0.04 0.21 -0.68 0.82 -1.32 0.00 0.00 178.16 177.23 1wvx h ILE 209 N 0.58 1.30 -0.87 1.81 2.04 -1.06 -1.15 117.51 120.15 1wvx h ILE 209 Ca 0.35 -1.92 0.08 0.00 1.00 0.00 0.00 64.86 64.38 1wvx h ILE 209 Cb 0.39 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 1wvx h ILE 209 CO -0.28 0.61 0.53 0.25 0.00 0.00 0.00 178.15 179.25 1wvx h LEU 210 N 0.51 0.79 0.07 1.44 5.85 0.25 0.89 115.31 125.12 1wvx h LEU 210 Ca -0.02 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1wvx h LEU 210 Cb 1.29 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1wvx h LEU 210 CO 0.14 0.48 -0.71 -0.07 -0.34 0.00 0.00 178.44 177.94 1wvx h LEU 211 N 0.91 0.22 0.00 2.25 3.38 -0.75 -3.39 115.31 117.93 1wvx h LEU 211 Ca 0.40 -0.89 -0.14 0.00 0.09 0.00 0.00 57.88 57.34 1wvx h LEU 211 Cb 0.28 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1wvx h LEU 211 CO -0.21 1.31 -1.77 -1.54 0.09 0.00 0.00 178.44 176.32 1wvx n SER 212 N -4.30 0.40 0.00 -0.43 3.41 -0.45 -4.96 113.62 107.30 1wvx n SER 212 Ca -0.17 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wvx n SER 212 Cb 0.70 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1wvx n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wvx n GLY 213 N 1.41 0.86 3.42 5.00 0.00 0.31 -4.98 105.19 111.21 1wvx n GLY 213 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1wvx n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvx s ALA 214 N -3.41 2.47 0.26 4.61 0.00 -1.26 -4.99 121.76 119.44 1wvx s ALA 214 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 1wvx s ALA 214 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1wvx s ALA 214 CO 0.00 0.56 0.99 0.45 0.00 0.00 0.00 175.76 177.75 1wvx s SER 215 N -1.19 7.51 0.34 0.00 0.15 -1.26 -3.97 113.70 115.28 1wvx s SER 215 Ca 0.13 2.04 0.18 0.00 0.70 0.00 0.00 55.95 59.00 1wvx s SER 215 Cb -0.10 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.77 1wvx s SER 215 CO 0.03 0.05 1.51 1.55 1.20 0.00 0.00 173.24 177.58 1wvx h PRO 216 N 3.98 0.00 0.00 5.44 0.13 -1.92 -3.38 132.00 136.25 1wvx h PRO 216 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wvx h PRO 216 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wvx h PRO 216 CO 0.67 0.33 -0.01 1.19 -0.23 0.00 0.00 178.00 179.95 1wvx n PHE 217 N -3.19 0.00 -1.63 1.56 3.72 -1.26 -4.57 117.46 112.09 1wvx n PHE 217 Ca 0.03 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.98 1wvx n PHE 217 Cb 0.66 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.16 1wvx n PHE 217 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1wvx n LEU 218 N -0.83 3.58 0.00 4.37 7.94 -1.26 -4.40 117.00 126.40 1wvx n LEU 218 Ca 0.00 0.69 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 1wvx n LEU 218 Cb 0.00 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.48 1wvx n LEU 218 CO 0.00 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 1wvx n GLY 219 N 5.01 2.90 0.08 -3.96 0.00 -1.26 -4.97 105.19 102.99 1wvx n GLY 219 Ca 0.25 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1wvx n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wvx h ASP 220 N 0.00 0.10 -2.87 1.61 3.32 -1.93 -3.46 116.42 113.19 1wvx h ASP 220 Ca 0.00 -0.53 -0.62 0.00 0.02 0.00 0.00 57.03 55.90 1wvx h ASP 220 Cb 0.00 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 39.37 1wvx h ASP 220 CO 0.00 0.61 -0.74 0.42 -1.72 0.00 0.00 179.24 177.80 1wvx s THR 221 N -4.11 2.94 0.23 0.35 -4.23 -1.26 -5.02 115.64 104.54 1wvx s THR 221 Ca -0.16 -1.86 -0.09 0.00 -1.18 0.00 0.00 61.69 58.41 1wvx s THR 221 Cb 0.02 -2.47 0.23 0.00 1.34 0.00 0.00 72.50 71.63 1wvx s THR 221 CO 0.70 -0.17 1.65 0.50 -0.54 0.00 0.00 174.62 176.76 1wvx h LYS 222 N 2.80 0.12 -0.83 3.99 3.64 -2.00 0.16 116.57 124.44 1wvx h LYS 222 Ca -0.46 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1wvx h LYS 222 Cb 1.22 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 1wvx h LYS 222 CO 0.54 0.08 0.50 1.96 -2.27 0.00 0.00 179.45 180.26 1wvx h GLN 223 N 0.12 0.86 -0.74 1.90 7.50 -1.99 -1.30 115.11 121.46 1wvx h GLN 223 Ca 0.37 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.44 1wvx h GLN 223 Cb 0.62 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 27.92 1wvx h GLN 223 CO -0.58 0.57 0.36 1.49 -1.50 0.00 0.00 178.83 179.17 1wvx h GLU 224 N 0.88 1.06 0.37 1.46 4.81 -1.11 -0.69 114.58 121.37 1wvx h GLU 224 Ca 0.38 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1wvx h GLU 224 Cb 0.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1wvx h GLU 224 CO -0.20 0.83 -0.18 1.15 -0.73 0.00 0.00 179.01 179.88 1wvx h THR 225 N 1.04 0.64 -0.70 0.32 2.02 -0.69 0.41 112.91 115.95 1wvx h THR 225 Ca 0.25 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.43 1wvx h THR 225 Cb 0.11 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1wvx h THR 225 CO -0.03 0.03 0.48 -0.07 0.37 0.00 0.00 175.52 176.30 1wvx h LEU 226 N -0.59 0.28 0.02 2.58 3.38 -1.07 0.27 115.31 120.18 1wvx h LEU 226 Ca -0.05 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.67 1wvx h LEU 226 Cb 0.43 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1wvx h LEU 226 CO 0.08 0.15 -1.14 0.00 0.09 0.00 0.00 178.44 177.62 1wvx h ALA 227 N 1.66 0.16 -0.15 1.53 0.00 -0.60 -1.89 119.26 119.98 1wvx h ALA 227 Ca 0.34 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1wvx h ALA 227 Cb 0.91 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wvx h ALA 227 CO -0.09 0.83 0.06 -0.91 0.00 0.00 0.00 179.25 179.15 1wvx h ASN 228 N 0.18 0.21 -0.29 0.00 2.35 0.22 -0.19 115.58 118.07 1wvx h ASN 228 Ca -0.13 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1wvx h ASN 228 Cb 1.82 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 40.12 1wvx h ASN 228 CO 0.20 0.33 0.17 0.58 -1.65 0.00 0.00 177.43 177.06 1wvx h VAL 229 N 0.09 1.10 -0.64 2.81 2.07 -0.64 0.32 116.25 121.36 1wvx h VAL 229 Ca 0.05 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1wvx h VAL 229 Cb 0.18 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1wvx h VAL 229 CO -0.00 0.10 0.18 -1.28 0.02 0.00 0.00 177.57 176.58 1wvx h SER 230 N 0.36 0.95 0.38 0.57 0.87 -1.25 -0.54 113.55 114.89 1wvx h SER 230 Ca 0.10 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1wvx h SER 230 Cb 0.01 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1wvx h SER 230 CO -0.02 0.92 0.00 0.00 -0.53 0.00 0.00 176.83 177.20 1wvx n ALA 231 N -2.42 2.43 -4.22 6.23 0.00 -0.09 -4.88 120.51 117.56 1wvx n ALA 231 Ca 0.04 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 1wvx n ALA 231 Cb 0.23 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1wvx n ALA 231 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wvx n VAL 232 N -1.21 -1.29 -3.93 0.00 3.14 0.01 -4.92 118.33 110.14 1wvx n VAL 232 Ca 0.15 -0.15 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1wvx n VAL 232 Cb 0.19 -1.66 -0.11 0.00 -1.06 0.00 0.00 33.84 31.20 1wvx n VAL 232 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wvx s ASN 233 N -3.60 5.45 0.29 6.55 4.22 -0.65 -5.02 114.94 122.18 1wvx s ASN 233 Ca 0.54 -0.03 -0.19 0.00 -2.14 0.00 0.00 52.86 51.05 1wvx s ASN 233 Cb -0.30 -1.95 0.02 0.00 1.28 0.00 0.00 41.25 40.30 1wvx s ASN 233 CO 0.94 0.09 0.68 -0.72 -2.04 0.00 0.00 177.10 176.05 1wvx s TYR 234 N 0.86 -0.03 0.06 1.54 1.13 -1.26 -4.77 117.35 114.89 1wvx s TYR 234 Ca 0.04 -0.44 -0.16 0.00 -1.41 0.00 0.00 57.07 55.10 1wvx s TYR 234 Cb -0.14 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1wvx s TYR 234 CO 0.02 -1.23 0.36 -1.21 -2.51 0.00 0.00 175.55 170.98 1wvx s GLU 235 N -3.72 0.90 -1.13 -3.49 2.02 -1.26 -5.05 118.70 106.97 1wvx s GLU 235 Ca 0.14 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1wvx s GLU 235 Cb -0.05 0.40 0.26 0.00 0.10 0.00 0.00 34.13 34.84 1wvx s GLU 235 CO 0.08 -0.31 1.89 1.19 0.02 0.00 0.00 175.26 178.13 1wvx n PHE 236 N 0.37 2.63 -1.65 1.61 3.72 -1.26 -5.01 117.46 117.86 1wvx n PHE 236 Ca -0.18 -2.64 -0.51 0.00 -0.05 0.00 0.00 57.45 54.07 1wvx n PHE 236 Cb 0.60 -1.42 -0.06 0.00 -0.94 0.00 0.00 39.48 37.67 1wvx n PHE 236 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wvx n GLU 237 N 0.96 1.59 -0.04 -1.08 1.02 -1.26 -4.58 120.64 117.25 1wvx n GLU 237 Ca 0.46 0.58 0.24 0.00 -0.02 0.00 0.00 57.16 58.41 1wvx n GLU 237 Cb 0.28 -2.30 0.59 0.00 -0.02 0.00 0.00 31.44 29.99 1wvx n GLU 237 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wvx h ASP 238 N 6.38 0.00 -0.39 1.62 3.45 -1.95 0.15 116.42 125.67 1wvx h ASP 238 Ca -0.47 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.00 1wvx h ASP 238 Cb 1.30 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.05 1wvx h ASP 238 CO 0.88 0.00 0.26 -0.08 -1.57 0.00 0.00 179.24 178.73 1wvx h GLU 239 N 0.00 0.48 0.00 3.56 4.81 -2.01 -2.67 114.58 118.75 1wvx h GLU 239 Ca 0.33 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1wvx h GLU 239 Cb 1.99 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.24 1wvx h GLU 239 CO -0.00 0.32 -1.50 0.66 -0.73 0.00 0.00 179.01 177.76 1wvx n TYR 240 N -4.48 0.00 -1.40 0.92 4.02 0.41 -4.71 117.16 111.92 1wvx n TYR 240 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 1wvx n TYR 240 Cb 0.09 -0.35 0.14 0.00 -0.02 0.00 0.00 39.34 39.20 1wvx n TYR 240 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1wvx n PHE 241 N -2.34 2.51 -0.04 -0.72 3.72 -0.62 -4.58 117.46 115.39 1wvx n PHE 241 Ca -0.12 -2.12 -0.16 0.00 -0.05 0.00 0.00 57.45 55.00 1wvx n PHE 241 Cb 0.73 -0.88 -0.07 0.00 -0.94 0.00 0.00 39.48 38.31 1wvx n PHE 241 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wvx h SER 242 N 1.37 0.79 -0.94 4.37 4.64 -1.70 -3.20 113.55 118.87 1wvx h SER 242 Ca 0.48 -0.59 -0.49 0.00 -0.47 0.00 0.00 61.79 60.72 1wvx h SER 242 Cb 1.88 -0.23 -0.29 0.00 -0.31 0.00 0.00 62.40 63.44 1wvx h SER 242 CO 0.99 1.25 0.62 0.59 -0.87 0.00 0.00 176.83 179.41 1wvx n ASN 243 N -4.12 3.78 -4.44 4.97 3.02 -1.26 -4.91 115.26 112.29 1wvx n ASN 243 Ca -0.07 -3.52 -0.35 0.00 -0.03 0.00 0.00 54.58 50.62 1wvx n ASN 243 Cb 0.63 -0.82 -0.13 0.00 -0.61 0.00 0.00 39.78 38.85 1wvx n ASN 243 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wvx s THR 244 N -3.13 3.99 1.02 3.41 2.01 -1.21 -4.95 115.64 116.78 1wvx s THR 244 Ca 0.54 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 1wvx s THR 244 Cb 0.45 -2.82 0.12 0.00 0.01 0.00 0.00 72.50 70.27 1wvx s THR 244 CO 0.10 0.42 0.59 -1.54 -0.69 0.00 0.00 174.62 173.50 1wvx n SER 245 N 4.36 -1.53 0.03 3.53 3.41 -1.26 -4.85 113.62 117.30 1wvx n SER 245 Ca -0.17 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1wvx n SER 245 Cb 0.52 -1.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.25 1wvx n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wvx h ALA 246 N -1.94 0.55 -0.67 7.33 0.00 -1.99 -2.83 119.26 119.72 1wvx h ALA 246 Ca -0.49 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 53.78 1wvx h ALA 246 Cb 1.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1wvx h ALA 246 CO 0.39 0.73 0.18 -0.07 0.00 0.00 0.00 179.25 180.48 1wvx h LEU 247 N 0.36 0.97 0.04 0.00 3.38 -1.99 -0.85 115.31 117.22 1wvx h LEU 247 Ca -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1wvx h LEU 247 Cb 1.29 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wvx h LEU 247 CO 0.13 0.93 -0.03 0.00 0.09 0.00 0.00 178.44 179.56 1wvx h ALA 248 N 1.20 -0.06 -0.88 1.53 0.00 -1.88 -1.89 119.26 117.27 1wvx h ALA 248 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1wvx h ALA 248 Cb 0.32 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1wvx h ALA 248 CO -0.00 -0.54 0.46 0.87 0.00 0.00 0.00 179.25 180.04 1wvx h LYS 249 N -0.07 1.24 -0.09 0.00 1.57 -1.26 -2.34 116.57 115.63 1wvx h LYS 249 Ca -0.00 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1wvx h LYS 249 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1wvx h LYS 249 CO 0.00 0.92 -0.14 0.22 -0.57 0.00 0.00 179.45 179.88 1wvx h ASP 250 N 1.23 0.12 0.23 0.86 3.58 -0.86 0.13 116.42 121.73 1wvx h ASP 250 Ca 0.31 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1wvx h ASP 250 Cb 0.06 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1wvx h ASP 250 CO -0.05 0.28 -0.11 0.15 -2.88 0.00 0.00 179.24 176.63 1wvx h PHE 251 N 0.13 -0.29 -0.90 0.28 3.04 -0.84 -1.47 116.94 116.88 1wvx h PHE 251 Ca 0.03 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.03 1wvx h PHE 251 Cb 0.32 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.87 1wvx h PHE 251 CO 0.00 0.05 0.59 0.82 -2.02 0.00 0.00 178.31 177.76 1wvx h ILE 252 N -0.68 1.09 -0.49 1.41 2.04 -1.12 -2.21 117.51 117.54 1wvx h ILE 252 Ca -0.03 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1wvx h ILE 252 Cb 0.47 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1wvx h ILE 252 CO 0.05 0.19 0.16 0.03 0.00 0.00 0.00 178.15 178.58 1wvx h ARG 253 N 1.05 0.76 0.00 2.37 3.08 -0.87 -0.15 114.38 120.63 1wvx h ARG 253 Ca 0.38 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1wvx h ARG 253 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1wvx h ARG 253 CO -0.14 0.72 0.00 0.54 -1.07 0.00 0.00 179.97 180.02 1wvx n ARG 254 N -4.51 0.07 -0.09 0.04 1.74 -0.56 -3.01 116.66 110.33 1wvx n ARG 254 Ca 0.01 0.22 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1wvx n ARG 254 Cb 0.19 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 1wvx n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wvx n LEU 255 N -1.43 2.66 -3.39 0.55 4.77 -0.97 -0.94 117.00 118.25 1wvx n LEU 255 Ca 0.05 -0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 1wvx n LEU 255 Cb 0.15 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1wvx n LEU 255 CO 0.12 0.78 3.12 0.18 -1.33 0.00 0.00 177.39 180.26 1wvx n LEU 256 N -3.01 8.43 -4.41 2.23 4.77 -0.11 -4.35 117.00 120.55 1wvx n LEU 256 Ca -0.33 -4.47 -0.33 0.00 -0.03 0.00 0.00 56.01 50.85 1wvx n LEU 256 Cb 0.88 -1.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.31 1wvx n LEU 256 CO 0.21 1.98 -0.44 -0.69 -1.33 0.00 0.00 177.39 177.12 1wvx s VAL 257 N 1.52 3.11 0.09 4.08 1.01 -1.26 -4.93 120.40 124.01 1wvx s VAL 257 Ca 0.64 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1wvx s VAL 257 Cb 0.18 -2.28 -0.15 0.00 0.00 0.00 0.00 36.38 34.12 1wvx s VAL 257 CO -0.07 0.54 1.65 0.50 0.00 0.00 0.00 175.10 177.72 1wvx h LYS 258 N 6.33 -0.61 -6.32 2.72 3.64 -1.95 -3.40 116.57 116.98 1wvx h LYS 258 Ca -0.31 0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.54 1wvx h LYS 258 Cb 1.20 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1wvx h LYS 258 CO 0.55 -0.41 1.11 0.34 -2.27 0.00 0.00 179.45 178.77 1wvx s ASP 259 N -4.65 6.37 0.16 4.20 3.68 -1.26 -4.79 116.67 120.38 1wvx s ASP 259 Ca -0.16 1.45 -0.18 0.00 2.13 0.00 0.00 52.55 55.78 1wvx s ASP 259 Cb 0.05 -2.53 0.06 0.00 -1.45 0.00 0.00 42.92 39.05 1wvx s ASP 259 CO 0.64 -1.29 1.67 -0.65 0.13 0.00 0.00 175.17 175.66 1wvx h PRO 260 N 10.72 -0.03 0.00 4.34 0.11 -1.96 -1.16 132.00 144.02 1wvx h PRO 260 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1wvx h PRO 260 Cb 1.14 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wvx h PRO 260 CO 1.02 -0.02 0.00 1.63 -0.21 0.00 0.00 178.00 180.42 1wvx n LYS 261 N -5.29 0.01 -0.00 1.05 5.02 -1.26 -1.05 118.16 116.63 1wvx n LYS 261 Ca 0.01 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.79 1wvx n LYS 261 Cb 0.21 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1wvx n LYS 261 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wvx n LYS 262 N -1.45 1.27 -1.86 1.97 5.02 -0.48 -4.99 118.16 117.64 1wvx n LYS 262 Ca 0.00 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 1wvx n LYS 262 Cb 0.02 -1.26 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1wvx n LYS 262 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1wvx s ARG 263 N -2.70 2.90 0.22 1.97 3.52 -0.22 -4.97 118.95 119.67 1wvx s ARG 263 Ca -0.01 1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.76 1wvx s ARG 263 Cb 0.10 -1.96 -0.09 0.00 -1.56 0.00 0.00 34.95 31.44 1wvx s ARG 263 CO 0.58 -1.19 1.36 -1.64 -0.81 0.00 0.00 175.30 173.61 1wvx s MET 264 N -3.88 4.34 0.70 5.12 -1.94 -0.12 -5.02 119.30 118.50 1wvx s MET 264 Ca 0.69 2.15 -0.09 0.00 -1.71 0.00 0.00 55.69 56.73 1wvx s MET 264 Cb -0.22 -3.16 0.04 0.00 2.01 0.00 0.00 34.83 33.50 1wvx s MET 264 CO 0.38 -0.32 1.05 0.95 -0.01 0.00 0.00 175.02 177.07 1wvx s THR 265 N 0.05 2.93 0.36 2.05 -4.23 -1.26 -4.87 115.64 110.67 1wvx s THR 265 Ca 0.58 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 1wvx s THR 265 Cb -0.39 -3.26 0.18 0.00 1.34 0.00 0.00 72.50 70.37 1wvx s THR 265 CO 0.40 -0.31 1.91 -0.29 -0.54 0.00 0.00 174.62 175.80 1wvx h ILE 266 N -0.61 1.18 -0.39 2.99 6.09 -1.95 -1.07 117.51 123.74 1wvx h ILE 266 Ca -0.45 -0.68 -0.03 0.00 -1.37 0.00 0.00 64.86 62.33 1wvx h ILE 266 Cb 1.29 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.47 1wvx h ILE 266 CO 0.63 0.23 0.13 1.56 -3.07 0.00 0.00 178.15 177.63 1wvx h GLN 267 N 0.46 0.60 -0.49 2.19 7.50 -1.98 -2.38 115.11 121.01 1wvx h GLN 267 Ca 0.10 -0.12 -0.00 0.00 0.50 0.00 0.00 58.65 59.13 1wvx h GLN 267 Cb 0.27 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 1wvx h GLN 267 CO 0.00 0.59 0.30 -0.44 -1.50 0.00 0.00 178.83 177.78 1wvx h ASP 268 N 0.48 0.59 -0.98 1.46 3.45 -1.75 -2.72 116.42 116.95 1wvx h ASP 268 Ca 0.13 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.56 1wvx h ASP 268 Cb 0.23 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 38.80 1wvx h ASP 268 CO -0.01 0.47 0.64 0.77 -1.57 0.00 0.00 179.24 179.55 1wvx h SER 269 N 0.66 1.08 0.29 6.45 4.64 -1.02 0.13 113.55 125.78 1wvx h SER 269 Ca 0.18 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1wvx h SER 269 Cb -0.01 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1wvx h SER 269 CO -0.03 0.75 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.43 1wvx h LEU 270 N 1.26 0.00 -0.75 5.97 -0.00 -1.16 -2.12 115.31 118.51 1wvx h LEU 270 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1wvx h LEU 270 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1wvx h LEU 270 CO -0.12 0.17 -0.35 0.00 -0.00 0.00 0.00 178.44 178.15 1wvx n GLN 271 N -3.95 1.04 -1.89 1.13 3.00 -0.10 -4.50 117.38 112.11 1wvx n GLN 271 Ca -0.02 -0.75 -0.40 0.00 -0.01 0.00 0.00 57.00 55.82 1wvx n GLN 271 Cb 0.26 -1.48 0.01 0.00 0.00 0.00 0.00 30.24 29.02 1wvx n GLN 271 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1wvx s HIS 272 N -2.47 2.58 0.58 1.08 2.46 0.26 -4.67 115.29 115.10 1wvx s HIS 272 Ca 0.22 1.32 0.27 0.00 0.47 0.00 0.00 55.06 57.34 1wvx s HIS 272 Cb 0.19 -3.83 1.58 0.00 -0.13 0.00 0.00 32.58 30.39 1wvx s HIS 272 CO 0.54 -2.64 2.07 -1.00 -2.47 0.00 0.00 174.74 171.24 1wvx h PRO 273 N 2.42 0.00 -0.03 2.88 0.13 -1.89 0.84 132.00 136.35 1wvx h PRO 273 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1wvx h PRO 273 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1wvx h PRO 273 CO 0.61 0.00 -0.44 2.35 -0.23 0.00 0.00 178.00 180.30 1wvx h TRP 274 N 0.00 0.08 0.00 1.56 7.01 -1.90 -2.78 115.95 119.92 1wvx h TRP 274 Ca 0.11 -0.02 -0.25 0.00 2.11 0.00 0.00 58.89 60.84 1wvx h TRP 274 Cb 0.58 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 1wvx h TRP 274 CO 0.00 0.50 -1.91 -0.89 -2.79 0.00 0.00 178.44 173.35 1wvx n ILE 275 N -4.01 1.22 -0.56 2.65 2.08 -0.29 -5.02 119.36 115.42 1wvx n ILE 275 Ca -0.02 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.54 1wvx n ILE 275 Cb 0.47 -0.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 1wvx n ILE 275 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40