#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvx s ASP 21 N 0.00 4.27 -0.01 -5.58 2.15 -1.26 -4.97 116.67 111.27 2wvx s ASP 21 Ca 0.00 -0.20 0.09 0.00 0.43 0.00 0.00 52.55 52.87 2wvx s ASP 21 Cb 0.00 -1.37 -0.13 0.00 -0.30 0.00 0.00 42.92 41.12 2wvx s ASP 21 CO 0.00 0.25 0.28 0.79 -0.17 0.00 0.00 175.17 176.32 2wvx n TRP 22 N 2.99 0.00 0.27 -5.34 8.01 -1.26 -4.62 117.44 117.49 2wvx n TRP 22 Ca -0.18 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.12 2wvx n TRP 22 Cb 0.53 -0.12 0.75 0.00 -2.01 0.00 0.00 31.31 30.45 2wvx n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2wvx h THR 23 N 0.00 0.77 -0.25 -0.99 1.35 -1.93 -1.82 112.91 110.06 2wvx h THR 23 Ca 0.00 -0.14 0.07 0.00 -0.55 0.00 0.00 66.41 65.79 2wvx h THR 23 Cb 0.33 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2wvx h THR 23 CO 0.00 0.04 0.30 0.06 -0.25 0.00 0.00 175.52 175.66 2wvx h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.02 -1.00 115.11 119.89 2wvx h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2wvx h GLN 24 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 2wvx h GLN 24 CO 0.00 0.00 -0.69 0.66 0.09 0.00 0.00 178.83 178.90 2wvx n TYR 25 N -3.67 0.11 -2.65 0.06 4.01 -0.68 -4.90 117.16 109.44 2wvx n TYR 25 Ca 0.03 0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.38 2wvx n TYR 25 Cb 0.43 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 2wvx n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wvx s VAL 26 N -3.05 4.68 -0.54 -0.72 1.01 -0.38 -4.14 120.40 117.26 2wvx s VAL 26 Ca 0.09 2.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 2wvx s VAL 26 Cb 0.16 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.39 2wvx s VAL 26 CO 0.75 -0.12 0.40 0.21 0.00 0.00 0.00 175.10 176.34 2wvx s ASN 27 N 1.22 5.71 0.06 3.32 2.47 -1.26 -4.82 114.94 121.64 2wvx s ASN 27 Ca 0.46 -2.19 0.10 0.00 0.42 0.00 0.00 52.86 51.65 2wvx s ASN 27 Cb -0.16 -1.99 0.44 0.00 -1.45 0.00 0.00 41.25 38.08 2wvx s ASN 27 CO 0.10 -0.61 1.30 -2.65 -3.72 0.00 0.00 177.10 171.52 2wvx n PRO 28 N 4.52 0.03 -2.82 0.43 -0.02 -1.26 -4.90 135.00 130.98 2wvx n PRO 28 Ca -0.02 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 2wvx n PRO 28 Cb 0.41 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 2wvx n PRO 28 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wvx s LEU 29 N -3.32 4.22 0.00 2.45 1.43 -1.26 -3.74 118.68 118.46 2wvx s LEU 29 Ca 0.02 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2wvx s LEU 29 Cb 0.05 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2wvx s LEU 29 CO 0.15 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.85 2wvx n GLY 31 N 5.33 0.00 0.10 -3.19 0.00 0.52 -4.24 105.19 103.71 2wvx n GLY 31 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2wvx n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wvx n SER 32 N 0.00 0.77 -3.68 1.61 3.41 -0.94 -1.90 113.62 112.89 2wvx n SER 32 Ca 0.00 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 2wvx n SER 32 Cb 0.00 -0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2wvx n SER 32 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2wvx n GLN 33 N -2.23 4.01 -4.23 4.33 7.27 -0.90 -0.68 117.38 124.94 2wvx n GLN 33 Ca 0.05 -3.42 -0.15 0.00 0.07 0.00 0.00 57.00 53.54 2wvx n GLN 33 Cb 0.40 -2.81 -0.10 0.00 2.41 0.00 0.00 30.24 30.14 2wvx n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2wvx s SER 34 N 0.75 1.79 0.13 1.69 0.01 -1.26 -4.34 113.70 112.47 2wvx s SER 34 Ca 0.47 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 2wvx s SER 34 Cb 0.14 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 2wvx s SER 34 CO -0.04 -0.26 0.12 0.42 0.41 0.00 0.00 173.24 173.88 2wvx s THR 35 N -2.80 0.11 0.28 1.44 -4.23 -0.83 -4.84 115.64 104.75 2wvx s THR 35 Ca 0.12 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2wvx s THR 35 Cb -0.01 -1.91 0.44 0.00 1.34 0.00 0.00 72.50 72.37 2wvx s THR 35 CO 0.01 -0.48 1.52 0.33 -0.54 0.00 0.00 174.62 175.47 2wvx n PHE 36 N -0.11 0.39 0.18 3.99 7.35 -1.26 -1.71 117.46 126.30 2wvx n PHE 36 Ca -0.07 1.19 0.02 0.00 -0.76 0.00 0.00 57.45 57.83 2wvx n PHE 36 Cb 0.63 -1.09 0.33 0.00 0.35 0.00 0.00 39.48 39.70 2wvx n PHE 36 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2wvx h GLU 37 N 0.00 0.00 -1.65 -4.13 3.07 -2.01 -3.45 114.58 106.40 2wvx h GLU 37 Ca 0.49 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.38 2wvx h GLU 37 Cb 0.79 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.47 2wvx h GLU 37 CO -0.99 0.42 -0.27 -1.17 -1.40 0.00 0.00 179.01 175.60 2wvx s LEU 38 N -8.01 -1.11 -0.02 1.33 2.96 -0.69 -4.56 118.68 108.58 2wvx s LEU 38 Ca -0.02 1.03 -0.15 0.00 -0.22 0.00 0.00 54.13 54.77 2wvx s LEU 38 Cb 0.14 1.96 -0.05 0.00 0.50 0.00 0.00 46.19 48.74 2wvx s LEU 38 CO 0.73 -0.25 0.41 -0.55 -1.32 0.00 0.00 176.35 175.37 2wvx s SER 39 N 2.80 6.77 -0.15 3.68 0.15 -1.26 -1.97 113.70 123.72 2wvx s SER 39 Ca 0.08 0.92 0.15 0.00 0.70 0.00 0.00 55.95 57.80 2wvx s SER 39 Cb -0.14 -2.25 0.34 0.00 -1.71 0.00 0.00 66.02 62.26 2wvx s SER 39 CO -0.19 0.28 1.17 0.35 1.20 0.00 0.00 173.24 176.06 2wvx n THR 40 N 2.13 1.87 0.00 6.45 -2.24 -1.26 -3.89 114.28 117.34 2wvx n THR 40 Ca -0.13 -2.54 0.00 0.00 -2.27 0.00 0.00 64.05 59.11 2wvx n THR 40 Cb 0.52 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2wvx n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wvx n GLY 41 N -1.17 1.96 3.75 3.38 0.00 -0.89 -1.58 105.19 110.64 2wvx n GLY 41 Ca 0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2wvx n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvx n ASN 42 N 0.00 -1.88 -4.85 1.61 3.02 -0.96 -1.21 115.26 110.98 2wvx n ASN 42 Ca 0.00 -0.82 -0.21 0.00 -0.03 0.00 0.00 54.58 53.52 2wvx n ASN 42 Cb 0.00 -4.00 -0.04 0.00 -0.61 0.00 0.00 39.78 35.13 2wvx n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wvx s THR 43 N -3.61 2.93 0.20 3.41 -4.23 -0.80 -4.63 115.64 108.91 2wvx s THR 43 Ca 0.14 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 2wvx s THR 43 Cb -0.07 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 2wvx s THR 43 CO 0.82 -0.07 -0.11 -0.72 -0.54 0.00 0.00 174.62 174.00 2wvx s TYR 44 N -2.43 1.58 -0.54 3.99 1.13 -1.26 -4.10 117.35 115.72 2wvx s TYR 44 Ca 0.45 -0.68 -0.28 0.00 -1.41 0.00 0.00 57.07 55.16 2wvx s TYR 44 Cb -0.04 -0.79 -0.00 0.00 -1.10 0.00 0.00 41.96 40.04 2wvx s TYR 44 CO 0.27 0.22 1.60 -1.25 -2.51 0.00 0.00 175.55 173.88 2wvx s PRO 45 N -3.71 3.12 -0.62 -3.49 0.04 -1.25 -4.92 135.00 124.18 2wvx s PRO 45 Ca 0.22 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 61.64 2wvx s PRO 45 Cb 0.01 -4.21 0.04 0.00 0.04 0.00 0.00 34.50 30.39 2wvx s PRO 45 CO 0.05 -2.15 1.07 0.00 0.04 0.00 0.00 177.00 176.02 2wvx s ALA 46 N 7.01 3.03 -0.42 8.56 0.00 -1.26 -4.46 121.76 134.22 2wvx s ALA 46 Ca 0.60 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 2wvx s ALA 46 Cb -0.13 -3.93 0.02 0.00 0.00 0.00 0.00 23.12 19.07 2wvx s ALA 46 CO 0.25 -2.70 0.69 0.42 0.00 0.00 0.00 175.76 174.41 2wvx s ILE 47 N 4.57 4.79 0.01 0.00 -1.09 -0.25 -4.78 121.20 124.44 2wvx s ILE 47 Ca 0.33 0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.77 2wvx s ILE 47 Cb -0.11 -4.22 0.10 0.00 -1.58 0.00 0.00 42.46 36.65 2wvx s ILE 47 CO 0.18 -0.58 0.95 0.00 -1.23 0.00 0.00 174.94 174.27 2wvx s ALA 48 N 2.94 -1.83 0.63 9.38 0.00 -0.76 -1.46 121.76 130.65 2wvx s ALA 48 Ca 0.25 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 2wvx s ALA 48 Cb -0.14 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.40 2wvx s ALA 48 CO 0.19 -0.77 0.98 1.03 0.00 0.00 0.00 175.76 177.19 2wvx s ARG 49 N -3.06 2.98 0.18 0.00 1.81 -1.26 -4.59 118.95 115.01 2wvx s ARG 49 Ca 0.07 0.25 -0.33 0.00 -1.72 0.00 0.00 55.73 54.00 2wvx s ARG 49 Cb -0.01 -2.16 -0.13 0.00 -0.45 0.00 0.00 34.95 32.20 2wvx s ARG 49 CO -0.06 -0.80 1.64 -2.30 -0.68 0.00 0.00 175.30 173.10 2wvx n PRO 50 N -2.75 2.41 -2.09 3.54 -0.02 -1.26 -1.14 135.00 133.69 2wvx n PRO 50 Ca 0.05 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.25 2wvx n PRO 50 Cb 0.57 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 2wvx n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2wvx n TRP 51 N 3.63 -0.91 0.00 6.00 8.01 -0.54 -4.96 117.44 128.67 2wvx n TRP 51 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 2wvx n TRP 51 Cb 0.31 -3.11 0.00 0.00 -2.01 0.00 0.00 31.31 26.50 2wvx n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wvx n GLY 52 N -0.68 -2.72 1.24 6.99 0.00 -0.29 -0.97 105.19 108.76 2wvx n GLY 52 Ca -0.18 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 2wvx n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvx n ASN 54 N 0.00 0.18 -4.88 1.61 3.02 -0.84 -4.15 115.26 110.20 2wvx n ASN 54 Ca 0.00 0.40 -0.28 0.00 -0.03 0.00 0.00 54.58 54.67 2wvx n ASN 54 Cb 0.00 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2wvx n ASN 54 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wvx s PHE 55 N 0.45 3.37 0.01 3.10 0.08 -1.02 -4.75 117.98 119.22 2wvx s PHE 55 Ca 0.33 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.57 2wvx s PHE 55 Cb -0.47 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2wvx s PHE 55 CO 0.23 0.54 -0.22 -1.58 -0.10 0.00 0.00 175.22 174.09 2wvx s TRP 56 N -1.62 1.95 -0.04 0.36 0.52 -0.54 -0.60 118.94 118.96 2wvx s TRP 56 Ca 0.33 -0.37 -0.11 0.00 0.02 0.00 0.00 56.10 55.96 2wvx s TRP 56 Cb -0.12 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 31.01 2wvx s TRP 56 CO 0.26 0.02 0.25 -0.08 0.02 0.00 0.00 176.95 177.43 2wvx s THR 57 N -0.63 0.04 0.52 2.01 -1.32 -0.29 -1.10 115.64 114.87 2wvx s THR 57 Ca 0.08 -0.34 -0.22 0.00 -1.21 0.00 0.00 61.69 60.00 2wvx s THR 57 Cb -0.09 -0.48 -0.05 0.00 -1.51 0.00 0.00 72.50 70.37 2wvx s THR 57 CO 0.00 -0.19 1.31 -2.16 -2.21 0.00 0.00 174.62 171.38 2wvx s PRO 58 N -0.77 3.30 -0.20 7.08 0.04 -1.26 -0.43 135.00 142.75 2wvx s PRO 58 Ca -0.09 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2wvx s PRO 58 Cb -0.05 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.23 2wvx s PRO 58 CO 0.02 -1.03 -0.17 -1.14 0.04 0.00 0.00 177.00 174.72 2wvx s GLN 59 N -2.85 2.69 -0.17 4.56 0.74 0.13 -4.59 119.66 120.17 2wvx s GLN 59 Ca 0.69 -0.94 0.15 0.00 0.05 0.00 0.00 55.36 55.32 2wvx s GLN 59 Cb -0.38 -2.60 -0.21 0.00 1.10 0.00 0.00 33.01 30.92 2wvx s GLN 59 CO 0.45 -0.31 0.05 0.25 -0.55 0.00 0.00 175.29 175.17 2wvx n THR 60 N 4.59 1.19 -1.79 -0.34 -2.24 0.13 -1.08 114.28 114.74 2wvx n THR 60 Ca -0.19 -0.72 -0.32 0.00 -2.27 0.00 0.00 64.05 60.55 2wvx n THR 60 Cb 0.48 -0.58 0.03 0.00 -2.10 0.00 0.00 70.33 68.17 2wvx n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wvx s GLY 61 N -5.18 1.93 0.00 3.38 0.00 -0.33 -4.76 107.32 102.37 2wvx s GLY 61 Ca -0.10 0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2wvx s GLY 61 CO 0.70 0.61 0.00 0.28 0.00 0.00 0.00 173.10 174.69 2wvx n LYS 62 N -2.56 0.00 0.00 2.90 4.76 -1.26 -4.91 118.16 117.08 2wvx n LYS 62 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2wvx n LYS 62 Cb 0.53 -0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2wvx n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wvx n GLY 64 N 2.12 0.00 3.70 0.72 0.00 -1.26 -4.86 105.19 105.62 2wvx n GLY 64 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wvx n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wvx s ASP 65 N -0.23 7.10 0.55 1.61 -1.08 -1.26 -4.90 116.67 118.45 2wvx s ASP 65 Ca 0.00 1.90 0.28 0.00 -0.52 0.00 0.00 52.55 54.22 2wvx s ASP 65 Cb 0.00 -2.57 1.59 0.00 -1.46 0.00 0.00 42.92 40.48 2wvx s ASP 65 CO 0.00 -0.49 2.14 1.23 0.52 0.00 0.00 175.17 178.57 2wvx h GLY 66 N 7.33 0.00 -7.26 2.66 0.00 -1.89 -3.24 103.07 100.67 2wvx h GLY 66 Ca -0.39 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.20 2wvx h GLY 66 CO 0.83 0.00 1.71 0.79 0.00 0.00 0.00 176.54 179.87 2wvx n TRP 67 N -3.70 4.24 0.18 5.60 8.01 -1.26 -4.41 117.44 126.10 2wvx n TRP 67 Ca -0.02 -3.12 0.07 0.00 -1.31 0.00 0.00 57.50 53.11 2wvx n TRP 67 Cb 0.18 -2.16 0.13 0.00 -2.01 0.00 0.00 31.31 27.45 2wvx n TRP 67 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2wvx h GLN 68 N 6.68 0.00 -3.36 -0.99 3.07 -1.92 -3.35 115.11 115.24 2wvx h GLN 68 Ca 0.36 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.77 2wvx h GLN 68 Cb 0.78 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 27.98 2wvx h GLN 68 CO 1.41 0.31 -0.72 -0.47 0.09 0.00 0.00 178.83 179.45 2wvx s TYR 69 N -3.13 0.01 0.00 0.06 5.04 -1.26 0.17 117.35 118.24 2wvx s TYR 69 Ca 0.04 0.26 0.04 0.00 -2.44 0.00 0.00 57.07 54.98 2wvx s TYR 69 Cb 0.07 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 42.02 2wvx s TYR 69 CO 0.71 -0.16 -0.12 0.95 -1.34 0.00 0.00 175.55 175.58 2wvx s THR 70 N 1.75 0.96 0.41 4.34 -4.23 -1.26 -4.75 115.64 112.87 2wvx s THR 70 Ca -0.01 -0.61 0.12 0.00 -1.18 0.00 0.00 61.69 60.01 2wvx s THR 70 Cb -0.12 -0.82 0.17 0.00 1.34 0.00 0.00 72.50 73.07 2wvx s THR 70 CO -0.03 0.20 1.96 0.22 -0.54 0.00 0.00 174.62 176.43 2wvx h TYR 71 N 5.65 0.15 -0.01 3.99 5.03 -1.23 -2.22 116.97 128.33 2wvx h TYR 71 Ca -0.34 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.96 2wvx h TYR 71 Cb 1.17 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.41 2wvx h TYR 71 CO 0.43 0.28 -0.12 0.25 -1.32 0.00 0.00 178.16 177.69 2wvx n THR 72 N -4.31 0.00 -2.19 1.81 -2.24 -1.26 -4.85 114.28 101.24 2wvx n THR 72 Ca -0.01 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 2wvx n THR 72 Cb 0.25 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 2wvx n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wvx s ALA 73 N -2.36 3.26 -0.79 6.98 0.00 -0.84 -4.98 121.76 123.04 2wvx s ALA 73 Ca 0.31 1.11 0.22 0.00 0.00 0.00 0.00 51.96 53.60 2wvx s ALA 73 Cb 0.20 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 2wvx s ALA 73 CO 0.45 -0.63 0.99 0.09 0.00 0.00 0.00 175.76 176.66 2wvx n ASN 74 N 0.29 0.70 -4.01 0.00 3.02 -1.26 -4.97 115.26 109.02 2wvx n ASN 74 Ca 0.03 -0.52 -0.17 0.00 -0.03 0.00 0.00 54.58 53.88 2wvx n ASN 74 Cb 0.44 0.89 -0.14 0.00 -0.61 0.00 0.00 39.78 40.37 2wvx n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wvx s LYS 75 N -3.11 0.61 -0.13 3.52 1.02 -1.26 -1.20 119.74 119.19 2wvx s LYS 75 Ca 0.06 -0.34 -0.05 0.00 0.02 0.00 0.00 55.97 55.66 2wvx s LYS 75 Cb 0.16 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2wvx s LYS 75 CO 0.82 0.15 0.05 0.42 -0.92 0.00 0.00 175.35 175.88 2wvx s ILE 76 N -0.33 4.74 -0.04 2.17 1.01 -0.26 -4.33 121.20 124.16 2wvx s ILE 76 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2wvx s ILE 76 Cb -0.04 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.37 2wvx s ILE 76 CO -0.00 0.55 0.45 -2.11 0.00 0.00 0.00 174.94 173.83 2wvx n ARG 77 N 2.64 0.03 -3.60 2.79 1.85 -0.24 -1.16 116.66 118.97 2wvx n ARG 77 Ca -0.18 -0.45 0.01 0.00 -1.00 0.00 0.00 57.85 56.22 2wvx n ARG 77 Cb 0.53 -0.94 -0.01 0.00 -1.05 0.00 0.00 32.46 30.99 2wvx n ARG 77 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2wvx s GLY 78 N -0.15 -0.36 -0.26 2.89 0.00 -1.23 -4.80 107.32 103.41 2wvx s GLY 78 Ca 0.00 1.34 -0.05 0.00 0.00 0.00 0.00 44.72 46.01 2wvx s GLY 78 CO 0.00 0.37 0.01 -1.36 0.00 0.00 0.00 173.10 172.12 2wvx s PHE 79 N -2.12 3.07 -0.05 1.90 0.40 0.00 -0.69 117.98 120.48 2wvx s PHE 79 Ca 0.13 -1.11 0.05 0.00 -0.60 0.00 0.00 56.93 55.40 2wvx s PHE 79 Cb 0.03 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 2wvx s PHE 79 CO -0.05 -0.60 -0.21 0.21 0.70 0.00 0.00 175.22 175.27 2wvx s LYS 80 N 1.45 2.50 -0.02 0.44 2.20 0.42 -1.54 119.74 125.20 2wvx s LYS 80 Ca 0.03 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.52 2wvx s LYS 80 Cb -0.16 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.89 2wvx s LYS 80 CO -0.01 0.48 0.93 -1.14 -0.36 0.00 0.00 175.35 175.25 2wvx s GLN 81 N -0.40 4.53 0.05 4.03 0.74 -0.12 -1.14 119.66 127.35 2wvx s GLN 81 Ca 0.04 1.31 0.00 0.00 0.05 0.00 0.00 55.36 56.76 2wvx s GLN 81 Cb -0.12 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 2wvx s GLN 81 CO 0.02 -0.05 -0.05 -0.08 -0.55 0.00 0.00 175.29 174.59 2wvx s THR 82 N 1.04 0.34 0.00 -0.34 -1.32 0.23 -3.50 115.64 112.09 2wvx s THR 82 Ca 0.49 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.50 2wvx s THR 82 Cb -0.20 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 2wvx s THR 82 CO 0.25 -0.74 0.79 1.41 -2.21 0.00 0.00 174.62 174.13 2wvx n HIS 83 N 0.70 0.00 -2.00 9.09 8.25 -1.25 -2.42 115.22 127.59 2wvx n HIS 83 Ca -0.18 -0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 2wvx n HIS 83 Cb 0.58 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2wvx n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wvx s GLN 84 N -0.59 4.23 0.12 -0.41 0.74 -1.26 -4.88 119.66 117.61 2wvx s GLN 84 Ca 0.00 2.26 0.20 0.00 0.05 0.00 0.00 55.36 57.87 2wvx s GLN 84 Cb 0.00 -3.44 -0.09 0.00 1.10 0.00 0.00 33.01 30.58 2wvx s GLN 84 CO 0.00 -0.64 0.87 -0.35 -0.55 0.00 0.00 175.29 174.62 2wvx n PRO 85 N 4.95 0.62 -3.49 1.67 -0.04 -1.26 -4.99 135.00 132.45 2wvx n PRO 85 Ca 0.14 0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2wvx n PRO 85 Cb 0.41 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 2wvx n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wvx s SER 86 N -5.40 -0.48 0.42 3.54 1.04 -1.26 -4.58 113.70 106.98 2wvx s SER 86 Ca -0.02 0.19 0.14 0.00 0.48 0.00 0.00 55.95 56.74 2wvx s SER 86 Cb 0.10 0.47 0.90 0.00 0.10 0.00 0.00 66.02 67.58 2wvx s SER 86 CO 0.81 -0.68 1.93 1.55 0.98 0.00 0.00 173.24 177.83 2wvx h PRO 87 N 2.27 0.00 -0.28 4.02 0.13 -1.82 0.79 132.00 137.10 2wvx h PRO 87 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 2wvx h PRO 87 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2wvx h PRO 87 CO 0.35 0.25 -0.11 -1.49 -0.23 0.00 0.00 178.00 176.77 2wvx h TRP 88 N 0.00 0.66 -0.36 1.56 4.06 -1.96 -3.19 115.95 116.72 2wvx h TRP 88 Ca -0.00 -0.16 -0.14 0.00 2.06 0.00 0.00 58.89 60.65 2wvx h TRP 88 Cb 0.45 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 2wvx h TRP 88 CO 0.00 0.80 -0.35 0.82 -3.56 0.00 0.00 178.44 176.15 2wvx h ILE 89 N 0.32 1.28 -0.59 1.49 1.08 -1.90 -3.49 117.51 115.70 2wvx h ILE 89 Ca 0.07 -1.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.02 2wvx h ILE 89 Cb 0.61 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2wvx h ILE 89 CO 0.04 0.50 0.00 -3.20 -0.69 0.00 0.00 178.15 174.80 2wvx n ASN 90 N -4.06 -1.78 -4.55 1.72 2.85 0.25 -4.82 115.26 104.87 2wvx n ASN 90 Ca -0.01 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.20 2wvx n ASN 90 Cb 0.51 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.43 2wvx n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wvx s ASP 91 N -4.00 3.64 0.18 1.20 -1.08 -1.26 -4.28 116.67 111.07 2wvx s ASP 91 Ca 0.00 -1.24 -0.21 0.00 -0.52 0.00 0.00 52.55 50.57 2wvx s ASP 91 Cb 0.00 -0.34 0.05 0.00 -1.46 0.00 0.00 42.92 41.18 2wvx s ASP 91 CO 0.00 -0.28 0.60 -0.72 0.52 0.00 0.00 175.17 175.28 2wvx s TYR 92 N -2.69 -0.39 -1.23 -5.34 1.13 -1.26 -2.31 117.35 105.26 2wvx s TYR 92 Ca 0.33 0.11 -0.04 0.00 -1.41 0.00 0.00 57.07 56.07 2wvx s TYR 92 Cb 0.04 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.44 2wvx s TYR 92 CO 0.16 -0.92 0.80 0.41 -2.51 0.00 0.00 175.55 173.49 2wvx n GLY 93 N -0.38 -0.52 3.15 5.49 0.00 -1.24 -3.93 105.19 107.76 2wvx n GLY 93 Ca -0.14 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2wvx n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wvx s GLN 94 N -5.63 2.38 0.19 1.61 -2.07 -1.26 -4.51 119.66 110.37 2wvx s GLN 94 Ca 0.13 -0.69 -0.15 0.00 -1.82 0.00 0.00 55.36 52.82 2wvx s GLN 94 Cb -0.03 -1.89 0.02 0.00 -1.09 0.00 0.00 33.01 30.02 2wvx s GLN 94 CO 0.79 0.15 0.46 -0.59 -1.32 0.00 0.00 175.29 174.79 2wvx s PHE 95 N 0.36 -0.00 0.16 9.60 -0.71 -1.23 -4.57 117.98 121.59 2wvx s PHE 95 Ca -0.14 -0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 55.40 2wvx s PHE 95 Cb -0.16 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 2wvx s PHE 95 CO 0.06 -0.87 0.08 -1.54 -1.34 0.00 0.00 175.22 171.62 2wvx s SER 96 N -2.89 0.30 0.37 1.98 1.04 -0.25 -0.95 113.70 113.30 2wvx s SER 96 Ca 0.11 -1.28 0.06 0.00 0.48 0.00 0.00 55.95 55.32 2wvx s SER 96 Cb 0.00 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2wvx s SER 96 CO -0.02 -0.77 0.23 0.00 0.98 0.00 0.00 173.24 173.66 2wvx n ILE 97 N -0.17 0.00 -4.05 -1.02 3.06 -0.59 -0.73 119.36 115.86 2wvx n ILE 97 Ca -0.03 -2.44 -0.14 0.00 -2.50 0.00 0.00 62.75 57.64 2wvx n ILE 97 Cb 0.65 1.09 -0.14 0.00 0.54 0.00 0.00 39.64 41.77 2wvx n ILE 97 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 2wvx s PRO 99 N -3.45 0.30 0.16 9.51 0.04 -1.26 -0.82 135.00 139.48 2wvx s PRO 99 Ca 0.33 -0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.10 2wvx s PRO 99 Cb 0.02 -0.25 -0.02 0.00 0.04 0.00 0.00 34.50 34.29 2wvx s PRO 99 CO 0.23 0.07 0.23 0.96 0.04 0.00 0.00 177.00 178.53 2wvx s ILE 100 N -0.25 0.06 0.22 0.56 -4.36 -0.54 -4.95 121.20 111.93 2wvx s ILE 100 Ca -0.00 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2wvx s ILE 100 Cb -0.02 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 2wvx s ILE 100 CO -0.00 -0.29 0.02 0.68 0.24 0.00 0.00 174.94 175.59 2wvx s VAL 101 N -4.01 0.80 0.00 8.37 -7.23 -1.26 -0.80 120.40 116.27 2wvx s VAL 101 Ca 0.21 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2wvx s VAL 101 Cb 0.04 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2wvx s VAL 101 CO 0.02 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2wvx n GLY 102 N -0.37 0.90 3.84 2.32 0.00 -0.05 -4.93 105.19 106.91 2wvx n GLY 102 Ca -0.04 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2wvx n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvx s GLN 103 N 0.00 3.98 -0.61 1.61 -1.52 -1.26 -4.75 119.66 117.11 2wvx s GLN 103 Ca 0.00 0.48 -0.27 0.00 -1.95 0.00 0.00 55.36 53.62 2wvx s GLN 103 Cb 0.00 -3.00 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 2wvx s GLN 103 CO 0.00 0.52 1.54 -1.25 -0.25 0.00 0.00 175.29 175.86 2wvx s PRO 104 N -1.77 3.06 -0.07 2.91 0.04 -1.26 -4.96 135.00 132.94 2wvx s PRO 104 Ca 0.35 0.38 0.05 0.00 0.04 0.00 0.00 61.00 61.83 2wvx s PRO 104 Cb -0.16 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 2wvx s PRO 104 CO 0.19 -2.24 -0.23 0.14 0.04 0.00 0.00 177.00 174.89 2wvx s VAL 105 N 6.99 1.93 -0.09 -0.36 -7.23 -1.26 -5.01 120.40 115.38 2wvx s VAL 105 Ca 0.54 -0.98 0.13 0.00 -1.81 0.00 0.00 61.98 59.86 2wvx s VAL 105 Cb -0.11 -1.65 -0.24 0.00 0.56 0.00 0.00 36.38 34.94 2wvx s VAL 105 CO 0.22 0.54 0.50 0.33 -0.31 0.00 0.00 175.10 176.37 2wvx n PHE 106 N 3.17 0.76 -1.62 2.82 7.35 -1.26 -4.66 117.46 124.01 2wvx n PHE 106 Ca -0.18 0.27 -0.48 0.00 -0.76 0.00 0.00 57.45 56.29 2wvx n PHE 106 Cb 0.52 -1.14 -0.04 0.00 0.35 0.00 0.00 39.48 39.17 2wvx n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wvx n ASP 107 N -3.00 2.15 0.22 -2.13 -0.08 -1.26 -4.83 116.55 107.63 2wvx n ASP 107 Ca -0.22 1.12 0.16 0.00 -1.51 0.00 0.00 54.79 54.34 2wvx n ASP 107 Cb 1.08 -1.30 0.69 0.00 2.34 0.00 0.00 41.12 43.92 2wvx n ASP 107 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2wvx h GLU 108 N 4.52 0.00 0.02 -0.67 4.11 -1.94 -1.08 114.58 119.54 2wvx h GLU 108 Ca -0.45 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.76 2wvx h GLU 108 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2wvx h GLU 108 CO 0.78 0.00 -1.18 0.93 0.07 0.00 0.00 179.01 179.61 2wvx h GLU 109 N 0.00 0.03 0.00 1.06 5.08 -1.96 -3.34 114.58 115.45 2wvx h GLU 109 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2wvx h GLU 109 Cb 0.33 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2wvx h GLU 109 CO 0.00 1.03 -0.09 0.87 -1.00 0.00 0.00 179.01 179.82 2wvx h LYS 110 N -0.88 0.00 0.00 2.33 6.56 -1.86 -2.29 116.57 120.42 2wvx h LYS 110 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 2wvx h LYS 110 Cb 1.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 2wvx h LYS 110 CO -0.15 0.09 -0.40 2.89 -2.06 0.00 0.00 179.45 179.82 2wvx n ARG 111 N -4.12 0.22 -1.21 3.15 1.85 -0.44 -4.95 116.66 111.17 2wvx n ARG 111 Ca -0.03 0.10 -0.31 0.00 -1.00 0.00 0.00 57.85 56.61 2wvx n ARG 111 Cb 0.17 -1.68 0.10 0.00 -1.05 0.00 0.00 32.46 30.00 2wvx n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wvx s ALA 112 N -3.12 2.14 -0.02 2.89 0.00 -0.86 -4.94 121.76 117.86 2wvx s ALA 112 Ca 0.09 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2wvx s ALA 112 Cb 0.14 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.96 2wvx s ALA 112 CO 0.67 -1.89 -0.03 0.45 0.00 0.00 0.00 175.76 174.95 2wvx s SER 113 N -3.20 0.60 0.37 0.00 0.15 -0.31 -4.95 113.70 106.36 2wvx s SER 113 Ca 0.63 -0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.96 2wvx s SER 113 Cb -0.18 -0.20 -0.14 0.00 -1.71 0.00 0.00 66.02 63.79 2wvx s SER 113 CO 0.55 -0.01 0.55 0.79 1.20 0.00 0.00 173.24 176.32 2wvx n TRP 114 N 3.56 -0.46 -4.08 3.44 7.02 -1.26 -1.11 117.44 124.56 2wvx n TRP 114 Ca -0.20 0.67 -0.13 0.00 -1.02 0.00 0.00 57.50 56.82 2wvx n TRP 114 Cb 0.54 -1.99 -0.05 0.00 -2.42 0.00 0.00 31.31 27.38 2wvx n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2wvx s PHE 115 N -1.38 0.88 0.08 -5.99 -0.71 -0.34 -1.51 117.98 109.01 2wvx s PHE 115 Ca 0.62 -1.15 0.03 0.00 -1.04 0.00 0.00 56.93 55.40 2wvx s PHE 115 Cb -0.66 -0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.04 2wvx s PHE 115 CO 0.59 -1.03 -0.09 0.00 -1.34 0.00 0.00 175.22 173.34 2wvx s ALA 116 N -3.48 0.94 0.53 1.99 0.00 -1.26 -4.77 121.76 115.71 2wvx s ALA 116 Ca 0.29 -1.05 0.26 0.00 0.00 0.00 0.00 51.96 51.46 2wvx s ALA 116 Cb 0.01 0.03 1.59 0.00 0.00 0.00 0.00 23.12 24.75 2wvx s ALA 116 CO 0.16 -0.03 2.18 0.45 0.00 0.00 0.00 175.76 178.52 2wvx h HIS 117 N 3.87 0.00 0.00 0.00 3.86 -1.95 0.20 115.15 121.13 2wvx h HIS 117 Ca -0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2wvx h HIS 117 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2wvx h HIS 117 CO 0.63 0.04 0.00 1.63 0.86 0.00 0.00 177.93 181.09 2wvx n LYS 118 N -3.96 0.29 -0.64 2.45 5.02 -1.26 -2.12 118.16 117.94 2wvx n LYS 118 Ca -0.03 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.36 2wvx n LYS 118 Cb 0.13 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.89 2wvx n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvx n GLY 119 N 0.74 4.23 3.07 0.72 0.00 0.69 -5.00 105.19 109.65 2wvx n GLY 119 Ca 0.10 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2wvx n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvx s GLU 120 N -2.98 0.90 -0.19 1.61 2.12 -0.90 -1.20 118.70 118.06 2wvx s GLU 120 Ca 0.45 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 2wvx s GLU 120 Cb 0.38 -0.87 0.05 0.00 0.26 0.00 0.00 34.13 33.95 2wvx s GLU 120 CO 0.07 0.23 -0.03 0.08 -0.54 0.00 0.00 175.26 175.08 2wvx s VAL 121 N -0.39 1.04 -0.25 3.70 1.01 0.31 -4.97 120.40 120.86 2wvx s VAL 121 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2wvx s VAL 121 Cb -0.05 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2wvx s VAL 121 CO -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 175.10 175.06 2wvx s ALA 122 N 1.64 2.84 0.24 5.51 0.00 -1.26 -1.06 121.76 129.67 2wvx s ALA 122 Ca -0.01 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.65 2wvx s ALA 122 Cb -0.17 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2wvx s ALA 122 CO -0.07 -0.68 -0.01 0.95 0.00 0.00 0.00 175.76 175.96 2wvx s THR 123 N 1.44 1.12 0.43 0.00 -4.23 -0.32 -4.48 115.64 109.59 2wvx s THR 123 Ca 0.03 -2.04 0.35 0.00 -1.18 0.00 0.00 61.69 58.85 2wvx s THR 123 Cb -0.16 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.67 2wvx s THR 123 CO -0.02 -0.30 2.16 -0.65 -0.54 0.00 0.00 174.62 175.27 2wvx h PRO 124 N 2.42 0.00 -0.01 3.99 0.11 -1.87 -3.10 132.00 133.54 2wvx h PRO 124 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wvx h PRO 124 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wvx h PRO 124 CO 0.65 0.05 -0.11 2.48 -0.21 0.00 0.00 178.00 180.86 2wvx n TYR 125 N -3.34 0.00 -3.64 0.65 4.11 -1.26 -1.84 117.16 111.84 2wvx n TYR 125 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.82 2wvx n TYR 125 Cb 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.46 2wvx n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2wvx s TYR 126 N -1.11 -0.87 -0.05 -3.48 5.04 -1.17 -4.32 117.35 111.38 2wvx s TYR 126 Ca 0.10 1.77 0.03 0.00 -2.44 0.00 0.00 57.07 56.52 2wvx s TYR 126 Cb 0.08 0.52 0.01 0.00 0.35 0.00 0.00 41.96 42.92 2wvx s TYR 126 CO 0.19 -0.43 -0.12 -0.47 -1.34 0.00 0.00 175.55 173.38 2wvx s TYR 127 N 1.44 1.36 0.02 4.97 5.04 -1.26 -1.17 117.35 127.75 2wvx s TYR 127 Ca -0.09 -0.45 0.04 0.00 -2.44 0.00 0.00 57.07 54.13 2wvx s TYR 127 Cb -0.05 -0.98 -0.02 0.00 0.35 0.00 0.00 41.96 41.27 2wvx s TYR 127 CO -0.17 -0.22 -0.12 0.21 -1.34 0.00 0.00 175.55 173.92 2wvx s LYS 128 N 0.48 0.83 -0.06 4.97 2.20 -0.23 -4.20 119.74 123.74 2wvx s LYS 128 Ca -0.10 -0.61 -0.15 0.00 -0.36 0.00 0.00 55.97 54.75 2wvx s LYS 128 Cb -0.14 -0.80 0.03 0.00 -1.51 0.00 0.00 37.83 35.42 2wvx s LYS 128 CO 0.03 0.20 0.34 0.54 -0.36 0.00 0.00 175.35 176.10 2wvx s VAL 129 N -0.70 0.03 -0.30 4.02 0.11 0.13 -0.53 120.40 123.17 2wvx s VAL 129 Ca 0.01 -0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 58.60 2wvx s VAL 129 Cb -0.07 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2wvx s VAL 129 CO 0.01 -0.16 0.46 -0.47 -3.33 0.00 0.00 175.10 171.61 2wvx s TYR 130 N -0.78 3.23 -0.74 1.54 5.04 -0.34 -1.09 117.35 124.20 2wvx s TYR 130 Ca -0.09 0.38 -0.21 0.00 -2.44 0.00 0.00 57.07 54.71 2wvx s TYR 130 Cb -0.04 -2.75 0.09 0.00 0.35 0.00 0.00 41.96 39.62 2wvx s TYR 130 CO 0.03 -0.36 0.99 -0.51 -1.34 0.00 0.00 175.55 174.36 2wvx s LEU 131 N 2.25 4.73 0.38 6.97 1.43 0.70 -4.58 118.68 130.56 2wvx s LEU 131 Ca 0.18 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 51.94 2wvx s LEU 131 Cb -0.16 -2.40 0.76 0.00 0.03 0.00 0.00 46.19 44.43 2wvx s LEU 131 CO 0.11 -1.28 1.99 0.00 0.23 0.00 0.00 176.35 177.40 2wvx h ALA 132 N 9.28 1.58 0.00 4.21 0.00 -1.56 -0.47 119.26 132.31 2wvx h ALA 132 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wvx h ALA 132 Cb 1.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wvx h ALA 132 CO 1.15 0.34 -0.03 0.93 0.00 0.00 0.00 179.25 181.63 2wvx h GLU 133 N 0.54 0.00 -0.01 0.00 5.08 -1.91 -3.25 114.58 115.04 2wvx h GLU 133 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wvx h GLU 133 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wvx h GLU 133 CO -0.02 0.00 -0.41 0.72 -1.00 0.00 0.00 179.01 178.30 2wvx n HIS 134 N -2.71 0.00 -3.74 4.33 8.25 -0.87 -4.95 115.22 115.52 2wvx n HIS 134 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 2wvx n HIS 134 Cb 0.49 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.63 2wvx n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wvx n ASP 135 N -0.55 -2.53 -4.12 0.41 2.03 -0.24 -4.68 116.55 106.87 2wvx n ASP 135 Ca 0.05 -0.78 -0.28 0.00 0.52 0.00 0.00 54.79 54.30 2wvx n ASP 135 Cb 0.27 -4.13 -0.17 0.00 -0.72 0.00 0.00 41.12 36.38 2wvx n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wvx s ILE 136 N -3.53 1.53 -0.09 5.18 1.01 -1.07 -3.59 121.20 120.65 2wvx s ILE 136 Ca 0.22 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 2wvx s ILE 136 Cb -0.11 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2wvx s ILE 136 CO 0.81 0.44 0.47 -0.69 0.00 0.00 0.00 174.94 175.97 2wvx s VAL 137 N 0.37 5.13 -0.11 2.92 1.01 -0.78 -0.22 120.40 128.72 2wvx s VAL 137 Ca -0.13 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2wvx s VAL 137 Cb -0.15 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2wvx s VAL 137 CO 0.05 0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.48 2wvx s THR 138 N 0.22 2.75 0.46 3.92 2.01 -0.25 -0.39 115.64 124.36 2wvx s THR 138 Ca 0.26 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2wvx s THR 138 Cb -0.16 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2wvx s THR 138 CO 0.11 0.54 0.08 -0.62 -0.69 0.00 0.00 174.62 174.04 2wvx n GLU 139 N 3.40 0.67 0.00 4.92 1.02 -0.31 -0.70 120.64 129.64 2wvx n GLU 139 Ca -0.18 -3.58 0.00 0.00 -0.02 0.00 0.00 57.16 53.38 2wvx n GLU 139 Cb 0.53 1.47 0.00 0.00 -0.02 0.00 0.00 31.44 33.42 2wvx n GLU 139 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wvx n THR 141 N -1.08 0.00 -2.79 2.62 -2.24 -0.58 -0.77 114.28 109.45 2wvx n THR 141 Ca -0.13 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 2wvx n THR 141 Cb 0.63 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2wvx n THR 141 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2wvx s PRO 142 N 0.00 3.49 0.00 -0.78 0.04 -1.26 -1.61 135.00 134.88 2wvx s PRO 142 Ca 0.00 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2wvx s PRO 142 Cb 0.00 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2wvx s PRO 142 CO 0.00 -0.16 0.00 0.25 0.04 0.00 0.00 177.00 177.13 2wvx n THR 143 N -2.17 0.00 -0.10 1.26 -2.24 0.11 -4.72 114.28 106.42 2wvx n THR 143 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wvx n THR 143 Cb 0.55 -0.39 0.28 0.00 -2.10 0.00 0.00 70.33 68.67 2wvx n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wvx h GLU 144 N 0.00 0.74 0.00 -0.78 5.08 -1.94 -3.35 114.58 114.33 2wvx h GLU 144 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wvx h GLU 144 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2wvx h GLU 144 CO 0.00 0.60 0.00 0.54 -1.00 0.00 0.00 179.01 179.15 2wvx n ARG 145 N -4.35 1.05 -4.45 2.33 1.74 -1.26 -1.99 116.66 109.73 2wvx n ARG 145 Ca 0.04 -0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 56.76 2wvx n ARG 145 Cb 0.15 -0.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.98 2wvx n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wvx s ALA 146 N -0.19 2.53 -0.10 7.54 0.00 -1.26 -3.05 121.76 127.23 2wvx s ALA 146 Ca 0.00 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 2wvx s ALA 146 Cb 0.00 0.85 0.06 0.00 0.00 0.00 0.00 23.12 24.03 2wvx s ALA 146 CO 0.00 -0.38 0.59 0.54 0.00 0.00 0.00 175.76 176.50 2wvx s VAL 147 N -3.34 0.01 -0.17 0.00 0.11 0.30 0.05 120.40 117.35 2wvx s VAL 147 Ca 0.30 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.20 2wvx s VAL 147 Cb 0.04 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2wvx s VAL 147 CO 0.16 -0.05 0.02 -0.22 -3.33 0.00 0.00 175.10 171.68 2wvx s LEU 148 N -0.74 3.60 -0.11 2.54 2.96 -0.63 -0.97 118.68 125.32 2wvx s LEU 148 Ca -0.08 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2wvx s LEU 148 Cb -0.02 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2wvx s LEU 148 CO 0.06 0.17 0.02 -0.36 -1.32 0.00 0.00 176.35 174.93 2wvx s PHE 149 N 0.35 3.22 -0.18 5.38 0.40 0.84 -1.52 117.98 126.47 2wvx s PHE 149 Ca 0.00 0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 2wvx s PHE 149 Cb -0.13 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.57 2wvx s PHE 149 CO 0.01 0.43 -0.15 0.50 0.70 0.00 0.00 175.22 176.71 2wvx s ARG 150 N -0.66 2.51 -0.18 0.44 3.52 0.05 -0.41 118.95 124.23 2wvx s ARG 150 Ca 0.11 -0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 54.82 2wvx s ARG 150 Cb -0.12 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 2wvx s ARG 150 CO 0.02 -0.30 0.08 -0.06 -0.81 0.00 0.00 175.30 174.24 2wvx s PHE 151 N 1.35 3.32 -0.40 5.12 0.40 0.29 -1.17 117.98 126.89 2wvx s PHE 151 Ca 0.02 0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.44 2wvx s PHE 151 Cb -0.14 -2.08 0.05 0.00 0.51 0.00 0.00 43.02 41.36 2wvx s PHE 151 CO -0.10 0.25 0.23 0.99 0.70 0.00 0.00 175.22 177.29 2wvx s THR 152 N 0.21 4.39 0.44 0.64 2.01 0.48 -0.16 115.64 123.65 2wvx s THR 152 Ca 0.06 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 2wvx s THR 152 Cb -0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2wvx s THR 152 CO -0.00 -0.38 0.73 -0.36 -0.69 0.00 0.00 174.62 173.92 2wvx s PHE 153 N 1.49 3.54 0.75 4.92 0.08 0.02 -1.87 117.98 126.90 2wvx s PHE 153 Ca 0.02 0.74 -0.06 0.00 0.12 0.00 0.00 56.93 57.75 2wvx s PHE 153 Cb -0.21 -2.23 0.11 0.00 -0.57 0.00 0.00 43.02 40.12 2wvx s PHE 153 CO 0.04 -0.16 1.05 -1.25 -0.10 0.00 0.00 175.22 174.80 2wvx s PRO 154 N -4.51 1.74 0.08 0.24 0.04 -1.24 -1.04 135.00 130.31 2wvx s PRO 154 Ca 0.46 -0.63 -0.31 0.00 0.04 0.00 0.00 61.00 60.56 2wvx s PRO 154 Cb -0.10 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 2wvx s PRO 154 CO 0.41 -1.49 1.51 -2.00 0.04 0.00 0.00 177.00 175.46 2wvx s GLU 155 N -5.29 4.25 -0.28 4.56 2.12 -1.25 -4.35 118.70 118.46 2wvx s GLU 155 Ca 0.65 2.17 -0.25 0.00 0.36 0.00 0.00 54.97 57.90 2wvx s GLU 155 Cb -0.07 -3.44 0.13 0.00 0.26 0.00 0.00 34.13 31.01 2wvx s GLU 155 CO 0.46 -0.60 1.09 1.21 -0.54 0.00 0.00 175.26 176.88 2wvx s ASN 156 N 1.75 -0.39 0.50 -1.70 3.84 -0.37 -4.88 114.94 113.68 2wvx s ASN 156 Ca 0.68 0.75 0.29 0.00 0.21 0.00 0.00 52.86 54.79 2wvx s ASN 156 Cb -0.37 0.76 1.05 0.00 -0.55 0.00 0.00 41.25 42.14 2wvx s ASN 156 CO 0.30 -0.13 1.87 0.44 -2.79 0.00 0.00 177.10 176.78 2wvx h ASP 157 N 4.03 0.00 -2.76 -4.21 3.32 -1.88 -0.44 116.42 114.48 2wvx h ASP 157 Ca -0.28 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.17 2wvx h ASP 157 Cb 1.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.33 2wvx h ASP 157 CO 0.12 0.08 -0.82 -1.00 -1.72 0.00 0.00 179.24 175.90 2wvx s HIS 158 N -3.57 1.87 -0.10 4.55 3.76 -1.26 -4.15 115.29 116.38 2wvx s HIS 158 Ca 0.02 -2.56 -0.03 0.00 -0.15 0.00 0.00 55.06 52.34 2wvx s HIS 158 Cb 0.09 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 2wvx s HIS 158 CO 0.59 -0.75 0.01 -1.12 -0.85 0.00 0.00 174.74 172.63 2wvx s SER 159 N -0.22 5.29 0.15 1.40 0.01 -0.69 -0.87 113.70 118.78 2wvx s SER 159 Ca 0.27 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.69 2wvx s SER 159 Cb -0.05 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 2wvx s SER 159 CO -0.14 0.35 -0.01 -0.31 0.41 0.00 0.00 173.24 173.54 2wvx s TYR 160 N -0.73 1.13 -0.10 2.43 1.51 0.02 -1.68 117.35 119.93 2wvx s TYR 160 Ca 0.12 -1.00 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 2wvx s TYR 160 Cb -0.12 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.11 2wvx s TYR 160 CO 0.02 -0.20 -0.16 0.08 -1.11 0.00 0.00 175.55 174.19 2wvx s VAL 161 N -3.65 1.50 -0.21 0.71 1.01 0.52 -1.47 120.40 118.81 2wvx s VAL 161 Ca 0.21 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2wvx s VAL 161 Cb 0.06 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2wvx s VAL 161 CO 0.02 0.44 0.17 -0.69 0.00 0.00 0.00 175.10 175.04 2wvx s VAL 162 N 0.87 5.37 -0.19 2.92 1.01 -1.26 -1.90 120.40 127.23 2wvx s VAL 162 Ca -0.09 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2wvx s VAL 162 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2wvx s VAL 162 CO 0.00 0.40 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 2wvx s VAL 163 N 0.64 3.50 -0.26 2.92 1.01 0.13 -4.17 120.40 124.17 2wvx s VAL 163 Ca 0.09 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2wvx s VAL 163 Cb -0.12 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.75 2wvx s VAL 163 CO 0.01 0.46 -0.09 -0.62 0.00 0.00 0.00 175.10 174.86 2wvx s ASP 164 N 0.98 4.46 0.00 3.32 -1.08 0.09 -0.80 116.67 123.65 2wvx s ASP 164 Ca 0.00 -1.28 0.24 0.00 -0.52 0.00 0.00 52.55 50.99 2wvx s ASP 164 Cb -0.15 -1.59 1.20 0.00 -1.46 0.00 0.00 42.92 40.92 2wvx s ASP 164 CO 0.00 -0.19 1.80 0.00 0.52 0.00 0.00 175.17 177.31 2wvx n ALA 165 N 4.51 2.60 -0.70 3.66 0.00 -0.70 -1.09 120.51 128.80 2wvx n ALA 165 Ca -0.14 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.09 2wvx n ALA 165 Cb 0.43 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2wvx n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wvx n PHE 166 N -0.38 -1.75 -2.69 0.00 3.01 -1.26 -4.50 117.46 109.89 2wvx n PHE 166 Ca 0.18 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.51 2wvx n PHE 166 Cb 0.20 -1.59 0.00 0.00 -0.01 0.00 0.00 39.48 38.08 2wvx n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2wvx n ASP 167 N -2.60 0.07 -0.54 4.37 5.75 -1.26 -3.88 116.55 118.46 2wvx n ASP 167 Ca 0.00 -0.65 -0.07 0.00 -0.01 0.00 0.00 54.79 54.06 2wvx n ASP 167 Cb 0.32 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 2wvx n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wvx n LYS 168 N -0.63 -0.77 0.00 0.11 4.76 -0.88 -3.62 118.16 117.14 2wvx n LYS 168 Ca 0.00 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2wvx n LYS 168 Cb 0.00 -4.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.65 2wvx n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wvx n GLY 169 N -1.57 1.21 3.38 0.72 0.00 0.47 -4.74 105.19 104.66 2wvx n GLY 169 Ca -0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2wvx n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wvx s SER 170 N 0.00 0.83 -0.05 1.61 1.04 -0.42 -3.54 113.70 113.17 2wvx s SER 170 Ca 0.00 -1.47 -0.10 0.00 0.48 0.00 0.00 55.95 54.86 2wvx s SER 170 Cb 0.00 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2wvx s SER 170 CO 0.00 -1.11 0.25 -0.47 0.98 0.00 0.00 173.24 172.89 2wvx s TYR 171 N -3.53 -0.19 -0.05 5.02 5.04 -0.60 -2.32 117.35 120.72 2wvx s TYR 171 Ca 0.34 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 55.27 2wvx s TYR 171 Cb 0.02 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.41 2wvx s TYR 171 CO 0.19 -0.24 0.23 -1.50 -1.34 0.00 0.00 175.55 172.89 2wvx s ILE 172 N -0.61 0.03 -0.10 3.14 1.10 -0.47 -1.11 121.20 123.19 2wvx s ILE 172 Ca -0.07 -0.28 -0.04 0.00 -0.51 0.00 0.00 60.65 59.75 2wvx s ILE 172 Cb -0.04 -0.43 0.05 0.00 0.15 0.00 0.00 42.46 42.19 2wvx s ILE 172 CO 0.02 -0.15 0.21 -0.75 -2.11 0.00 0.00 174.94 172.15 2wvx s LYS 173 N -0.57 0.13 -0.17 3.50 2.20 0.31 -1.22 119.74 123.92 2wvx s LYS 173 Ca -0.07 0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 55.92 2wvx s LYS 173 Cb -0.04 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.10 2wvx s LYS 173 CO 0.01 -0.22 0.44 0.42 -0.36 0.00 0.00 175.35 175.65 2wvx s ILE 174 N 1.69 5.19 -0.63 5.43 1.01 -0.07 -0.50 121.20 133.33 2wvx s ILE 174 Ca -0.05 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.47 2wvx s ILE 174 Cb -0.11 -3.77 0.15 0.00 0.01 0.00 0.00 42.46 38.74 2wvx s ILE 174 CO -0.07 0.28 0.40 -0.63 0.00 0.00 0.00 174.94 174.92 2wvx s ILE 175 N 1.02 2.86 0.43 2.92 1.01 0.37 -4.87 121.20 124.94 2wvx s ILE 175 Ca 0.22 -3.79 0.12 0.00 0.00 0.00 0.00 60.65 57.20 2wvx s ILE 175 Cb -0.15 -2.91 0.19 0.00 0.01 0.00 0.00 42.46 39.60 2wvx s ILE 175 CO 0.09 -0.91 1.99 -0.65 0.00 0.00 0.00 174.94 175.45 2wvx h PRO 176 N 5.97 0.13 0.00 2.79 0.11 -1.96 -0.62 132.00 138.41 2wvx h PRO 176 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2wvx h PRO 176 Cb 0.82 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2wvx h PRO 176 CO 0.71 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 2wvx n GLU 177 N -4.34 0.17 0.00 1.05 0.00 -1.26 -1.90 120.64 114.36 2wvx n GLU 177 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.31 2wvx n GLU 177 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2wvx n GLU 177 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2wvx n GLU 178 N -1.32 0.36 -3.83 3.44 1.02 -0.28 -4.99 120.64 115.03 2wvx n GLU 178 Ca 0.06 -0.81 -0.28 0.00 -0.02 0.00 0.00 57.16 56.11 2wvx n GLU 178 Cb 0.12 -0.98 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 2wvx n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wvx n ASN 179 N -0.16 -4.98 -4.25 1.62 3.02 -0.80 -4.77 115.26 104.95 2wvx n ASN 179 Ca 0.00 -0.73 -0.19 0.00 -0.03 0.00 0.00 54.58 53.63 2wvx n ASN 179 Cb 0.10 -4.16 -0.11 0.00 -0.61 0.00 0.00 39.78 34.99 2wvx n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wvx s LYS 180 N -6.51 1.04 -0.04 3.52 2.20 -0.95 -1.01 119.74 117.99 2wvx s LYS 180 Ca 0.61 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 2wvx s LYS 180 Cb -0.30 -1.00 0.02 0.00 -1.51 0.00 0.00 37.83 35.04 2wvx s LYS 180 CO 0.81 0.20 -0.06 0.42 -0.36 0.00 0.00 175.35 176.36 2wvx s ILE 181 N -1.91 0.60 0.30 5.43 1.01 -0.23 -0.48 121.20 125.92 2wvx s ILE 181 Ca 0.08 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.65 2wvx s ILE 181 Cb -0.06 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 2wvx s ILE 181 CO 0.03 0.23 -0.14 0.27 0.00 0.00 0.00 174.94 175.33 2wvx s ILE 182 N 0.72 2.24 0.05 2.92 -4.36 0.35 -0.72 121.20 122.41 2wvx s ILE 182 Ca -0.10 -2.28 -0.27 0.00 -0.26 0.00 0.00 60.65 57.74 2wvx s ILE 182 Cb -0.13 -2.44 0.09 0.00 1.25 0.00 0.00 42.46 41.24 2wvx s ILE 182 CO 0.01 -0.32 1.20 -0.83 0.24 0.00 0.00 174.94 175.23 2wvx s GLY 183 N -3.53 -0.11 0.04 6.27 0.00 -0.71 -0.53 107.32 108.75 2wvx s GLY 183 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.07 2wvx s GLY 183 CO 0.15 3.46 -0.05 -2.52 0.00 0.00 0.00 173.10 174.15 2wvx s TYR 184 N -2.19 0.48 0.11 1.90 -0.85 -0.26 -1.09 117.35 115.45 2wvx s TYR 184 Ca 0.24 -0.68 0.10 0.00 -0.52 0.00 0.00 57.07 56.21 2wvx s TYR 184 Cb -0.00 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 2wvx s TYR 184 CO 0.01 -0.20 -0.25 -0.08 -1.52 0.00 0.00 175.55 173.50 2wvx s THR 185 N -2.19 2.09 0.00 -3.49 -1.32 -0.70 -1.56 115.64 108.47 2wvx s THR 185 Ca -0.07 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 2wvx s THR 185 Cb -0.05 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 2wvx s THR 185 CO -0.03 0.08 0.01 0.35 -2.21 0.00 0.00 174.62 172.82 2wvx n THR 186 N 1.06 0.00 -1.67 5.08 -2.24 -1.23 -1.08 114.28 114.20 2wvx n THR 186 Ca -0.18 -0.22 -0.48 0.00 -2.27 0.00 0.00 64.05 60.90 2wvx n THR 186 Cb 0.53 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.74 2wvx n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wvx n ARG 187 N -0.42 2.00 -4.10 -0.78 0.63 -1.24 -4.78 116.66 107.97 2wvx n ARG 187 Ca 0.00 0.73 -0.15 0.00 -0.92 0.00 0.00 57.85 57.51 2wvx n ARG 187 Cb 0.01 -2.50 -0.04 0.00 0.45 0.00 0.00 32.46 30.37 2wvx n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wvx s ASN 188 N 1.91 0.92 -0.17 6.15 4.22 -1.26 -3.65 114.94 123.05 2wvx s ASN 188 Ca 0.84 -1.48 0.16 0.00 -2.14 0.00 0.00 52.86 50.24 2wvx s ASN 188 Cb -0.73 0.65 0.38 0.00 1.28 0.00 0.00 41.25 42.84 2wvx s ASN 188 CO 0.44 -1.28 1.25 -1.20 -2.04 0.00 0.00 177.10 174.27 2wvx n SER 189 N -1.37 2.56 0.00 3.54 7.64 -0.98 -4.95 113.62 120.07 2wvx n SER 189 Ca 0.01 -3.29 0.00 0.00 1.01 0.00 0.00 58.87 56.61 2wvx n SER 189 Cb 0.62 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2wvx n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wvx n GLY 190 N -1.16 0.98 2.21 0.23 0.00 -1.26 -5.02 105.19 101.16 2wvx n GLY 190 Ca 0.19 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 2wvx n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 191 N 0.71 0.28 3.25 -0.02 0.00 -1.26 -4.45 105.19 103.69 2wvx n GLY 191 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 2wvx n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wvx s VAL 192 N -2.45 1.45 0.92 1.61 -7.23 -1.26 -0.34 120.40 113.10 2wvx s VAL 192 Ca 0.00 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2wvx s VAL 192 Cb 0.00 -1.44 0.14 0.00 0.56 0.00 0.00 36.38 35.64 2wvx s VAL 192 CO 0.00 -0.24 1.09 -2.84 -0.31 0.00 0.00 175.10 172.80 2wvx s PRO 193 N -2.18 1.05 0.37 4.82 0.02 -1.26 -4.95 135.00 132.88 2wvx s PRO 193 Ca 0.06 0.75 0.06 0.00 0.02 0.00 0.00 61.00 61.89 2wvx s PRO 193 Cb -0.08 -1.79 0.76 0.00 0.02 0.00 0.00 34.50 33.41 2wvx s PRO 193 CO 0.04 -2.36 1.98 0.93 -0.33 0.00 0.00 177.00 177.26 2wvx h GLU 194 N -1.63 0.70 -0.71 5.54 5.08 -1.98 -2.35 114.58 119.22 2wvx h GLU 194 Ca -0.51 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2wvx h GLU 194 Cb 1.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2wvx h GLU 194 CO 0.55 0.46 0.00 0.27 -1.00 0.00 0.00 179.01 179.29 2wvx n ASN 195 N -4.47 2.63 -4.69 1.42 6.94 -1.26 -4.94 115.26 110.89 2wvx n ASN 195 Ca 0.09 -2.29 -0.42 0.00 -0.02 0.00 0.00 54.58 51.93 2wvx n ASN 195 Cb 0.18 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 2wvx n ASN 195 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wvx s PHE 196 N -1.69 2.04 0.03 -2.53 5.36 -0.89 -4.99 117.98 115.32 2wvx s PHE 196 Ca 0.22 -0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 56.01 2wvx s PHE 196 Cb 0.15 -4.17 0.01 0.00 -0.34 0.00 0.00 43.02 38.68 2wvx s PHE 196 CO 0.08 -4.87 0.26 0.15 -1.46 0.00 0.00 175.22 169.38 2wvx s LYS 197 N 2.99 0.74 -0.25 10.12 1.02 -1.26 -4.74 119.74 128.36 2wvx s LYS 197 Ca 0.81 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.31 2wvx s LYS 197 Cb -0.45 0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.22 2wvx s LYS 197 CO 0.37 -0.22 -0.08 1.21 -0.92 0.00 0.00 175.35 175.70 2wvx s ASN 198 N -1.93 4.31 -0.12 2.83 3.84 -0.24 -4.58 114.94 119.05 2wvx s ASN 198 Ca -0.07 -1.07 -0.20 0.00 0.21 0.00 0.00 52.86 51.73 2wvx s ASN 198 Cb -0.02 -1.62 -0.04 0.00 -0.55 0.00 0.00 41.25 39.03 2wvx s ASN 198 CO -0.02 -0.15 0.55 -0.31 -2.79 0.00 0.00 177.10 174.38 2wvx s TYR 199 N 1.24 3.50 0.15 0.43 1.51 0.04 -1.72 117.35 122.51 2wvx s TYR 199 Ca -0.03 0.98 0.07 0.00 -1.01 0.00 0.00 57.07 57.08 2wvx s TYR 199 Cb -0.18 -2.65 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 2wvx s TYR 199 CO -0.05 0.09 -0.16 -0.59 -1.11 0.00 0.00 175.55 173.74 2wvx s PHE 200 N 0.87 1.60 -0.02 2.71 -0.12 -0.25 -0.96 117.98 121.82 2wvx s PHE 200 Ca 0.29 -0.53 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 2wvx s PHE 200 Cb -0.16 -0.81 0.01 0.00 -0.63 0.00 0.00 43.02 41.44 2wvx s PHE 200 CO 0.12 0.24 -0.02 0.42 -0.05 0.00 0.00 175.22 175.93 2wvx s ILE 201 N -2.24 0.27 -0.15 -4.49 1.01 -0.65 -1.74 121.20 113.20 2wvx s ILE 201 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 2wvx s ILE 201 Cb -0.04 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.16 2wvx s ILE 201 CO 0.05 0.13 -0.08 -0.63 0.00 0.00 0.00 174.94 174.40 2wvx s ILE 202 N 0.52 1.23 -0.18 2.92 1.01 0.10 -2.01 121.20 124.80 2wvx s ILE 202 Ca -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2wvx s ILE 202 Cb -0.09 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2wvx s ILE 202 CO -0.01 0.26 -0.05 -1.61 0.00 0.00 0.00 174.94 173.53 2wvx s GLU 203 N 1.60 3.49 0.05 2.79 2.02 -0.00 -1.07 118.70 127.57 2wvx s GLU 203 Ca 0.03 -0.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.36 2wvx s GLU 203 Cb -0.14 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 2wvx s GLU 203 CO -0.08 0.03 0.30 -0.06 0.02 0.00 0.00 175.26 175.46 2wvx s PHE 204 N 0.89 3.55 -1.11 1.61 0.40 -0.18 -0.92 117.98 122.21 2wvx s PHE 204 Ca -0.01 0.55 0.12 0.00 -0.60 0.00 0.00 56.93 56.99 2wvx s PHE 204 Cb -0.15 -1.98 0.51 0.00 0.51 0.00 0.00 43.02 41.91 2wvx s PHE 204 CO 0.01 0.56 1.36 -0.40 0.70 0.00 0.00 175.22 177.46 2wvx n ASP 205 N 0.79 3.60 -3.80 1.36 5.75 -0.55 -4.79 116.55 118.91 2wvx n ASP 205 Ca -0.08 -2.37 -0.17 0.00 -0.01 0.00 0.00 54.79 52.16 2wvx n ASP 205 Cb 0.52 -0.51 -0.16 0.00 -1.03 0.00 0.00 41.12 39.94 2wvx n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wvx s LYS 206 N -1.84 0.22 0.65 0.11 2.20 -1.26 -4.89 119.74 114.92 2wvx s LYS 206 Ca 0.36 0.11 -0.15 0.00 -0.36 0.00 0.00 55.97 55.93 2wvx s LYS 206 Cb 0.24 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.11 2wvx s LYS 206 CO 0.16 -0.15 1.09 -1.25 -0.36 0.00 0.00 175.35 174.84 2wvx s PRO 207 N 1.10 2.93 -0.03 4.03 0.04 -1.26 -5.00 135.00 136.80 2wvx s PRO 207 Ca -0.09 1.30 -0.24 0.00 0.04 0.00 0.00 61.00 62.01 2wvx s PRO 207 Cb -0.13 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2wvx s PRO 207 CO -0.02 -1.14 0.73 -0.06 0.04 0.00 0.00 177.00 176.56 2wvx s PHE 208 N -2.44 3.62 -0.37 0.56 0.08 -1.26 -4.82 117.98 113.35 2wvx s PHE 208 Ca 0.65 1.33 0.14 0.00 0.12 0.00 0.00 56.93 59.17 2wvx s PHE 208 Cb -0.19 -2.83 -0.18 0.00 -0.57 0.00 0.00 43.02 39.26 2wvx s PHE 208 CO 0.42 0.13 0.46 2.41 -0.10 0.00 0.00 175.22 178.54 2wvx n THR 209 N 3.54 0.00 -4.30 0.64 -1.04 0.74 -4.93 114.28 108.93 2wvx n THR 209 Ca -0.01 -0.24 -0.18 0.00 -2.04 0.00 0.00 64.05 61.58 2wvx n THR 209 Cb 0.51 0.64 -0.14 0.00 -1.82 0.00 0.00 70.33 69.52 2wvx n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2wvx s TYR 210 N -2.60 0.75 -0.17 -1.42 6.14 -0.61 -4.92 117.35 114.52 2wvx s TYR 210 Ca 0.01 -0.17 -0.11 0.00 0.64 0.00 0.00 57.07 57.43 2wvx s TYR 210 Cb 0.10 -0.47 0.05 0.00 0.42 0.00 0.00 41.96 42.06 2wvx s TYR 210 CO 0.58 -0.01 0.42 -1.59 0.64 0.00 0.00 175.55 175.58 2wvx s LYS 211 N -0.34 0.43 -0.12 4.97 -2.85 -1.26 -1.40 119.74 119.18 2wvx s LYS 211 Ca 0.02 0.72 -0.13 0.00 -1.00 0.00 0.00 55.97 55.59 2wvx s LYS 211 Cb -0.04 0.07 0.03 0.00 -2.06 0.00 0.00 37.83 35.83 2wvx s LYS 211 CO -0.00 -0.12 0.35 0.00 0.10 0.00 0.00 175.35 175.68 2wvx s ALA 212 N 1.00 -0.87 0.37 0.59 0.00 0.06 -0.79 121.76 122.12 2wvx s ALA 212 Ca -0.06 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.86 2wvx s ALA 212 Cb -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2wvx s ALA 212 CO -0.08 -0.18 0.52 0.95 0.00 0.00 0.00 175.76 176.96 2wvx s THR 213 N -0.04 3.93 -0.05 0.00 -4.23 -0.77 -0.59 115.64 113.90 2wvx s THR 213 Ca -0.02 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2wvx s THR 213 Cb -0.03 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.44 2wvx s THR 213 CO 0.01 -0.17 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.09 2wvx s VAL 214 N -2.27 1.21 -0.22 2.29 1.01 -0.13 -0.26 120.40 122.02 2wvx s VAL 214 Ca 0.47 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2wvx s VAL 214 Cb -0.10 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.29 2wvx s VAL 214 CO 0.33 0.36 0.04 -0.70 0.00 0.00 0.00 175.10 175.13 2wvx s GLU 215 N 0.23 0.73 -1.40 2.72 -6.30 -0.72 -2.50 118.70 111.45 2wvx s GLU 215 Ca -0.06 -0.59 -0.06 0.00 -2.50 0.00 0.00 54.97 51.75 2wvx s GLU 215 Cb -0.12 -2.09 0.00 0.00 0.00 0.00 0.00 34.13 31.92 2wvx s GLU 215 CO 0.02 -0.72 0.35 0.09 0.02 0.00 0.00 175.26 175.02 2wvx n ASN 216 N 4.99 -0.84 0.00 -1.70 5.03 -1.24 -1.21 115.26 120.30 2wvx n ASN 216 Ca -0.08 -1.14 0.00 0.00 0.87 0.00 0.00 54.58 54.23 2wvx n ASN 216 Cb 0.46 -2.42 0.00 0.00 -1.02 0.00 0.00 39.78 36.79 2wvx n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvx n GLY 217 N -2.17 1.51 3.69 7.41 0.00 -1.26 -5.00 105.19 109.36 2wvx n GLY 217 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2wvx n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvx s ASN 218 N -3.25 6.26 -0.05 1.61 0.01 -0.35 -4.98 114.94 114.20 2wvx s ASN 218 Ca 0.00 0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 52.14 2wvx s ASN 218 Cb 0.00 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 2wvx s ASN 218 CO 0.00 0.08 1.16 -0.22 -1.51 0.00 0.00 177.10 176.60 2wvx s LEU 219 N 0.80 4.29 -0.49 0.60 2.96 -1.26 -1.76 118.68 123.82 2wvx s LEU 219 Ca 0.11 1.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.84 2wvx s LEU 219 Cb -0.13 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.13 2wvx s LEU 219 CO 0.03 -0.53 0.24 -1.10 -1.32 0.00 0.00 176.35 173.67 2wvx s GLN 220 N 1.98 1.82 0.30 1.98 -1.52 0.64 -4.99 119.66 119.86 2wvx s GLN 220 Ca 0.55 -2.45 -0.29 0.00 -1.95 0.00 0.00 55.36 51.21 2wvx s GLN 220 Cb -0.24 -3.15 -0.10 0.00 -0.22 0.00 0.00 33.01 29.30 2wvx s GLN 220 CO 0.22 -1.10 1.44 -2.00 -0.25 0.00 0.00 175.29 173.60 2wvx s GLU 221 N -0.08 4.24 -0.83 2.91 2.12 -1.26 -1.84 118.70 123.96 2wvx s GLU 221 Ca 0.17 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2wvx s GLU 221 Cb -0.25 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2wvx s GLU 221 CO -0.01 -0.41 0.00 0.09 -0.54 0.00 0.00 175.26 174.39 2wvx n ASN 222 N 1.54 -5.64 -4.63 -1.70 3.02 0.03 -4.93 115.26 102.94 2wvx n ASN 222 Ca 0.04 0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 2wvx n ASN 222 Cb 0.40 -3.83 -0.08 0.00 -0.61 0.00 0.00 39.78 35.66 2wvx n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wvx s VAL 223 N -1.72 5.17 0.12 2.41 1.01 -1.12 -4.99 120.40 121.28 2wvx s VAL 223 Ca 0.00 0.67 0.14 0.00 0.00 0.00 0.00 61.98 62.79 2wvx s VAL 223 Cb 0.00 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2wvx s VAL 223 CO 0.00 0.18 1.59 0.00 0.00 0.00 0.00 175.10 176.87 2wvx h ALA 224 N 7.86 0.84 -2.96 5.51 0.00 -1.89 -3.29 119.26 125.32 2wvx h ALA 224 Ca -0.33 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 53.93 2wvx h ALA 224 Cb 1.16 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 2wvx h ALA 224 CO 0.68 0.68 -0.57 -2.00 0.00 0.00 0.00 179.25 178.04 2wvx s GLU 225 N -3.36 0.36 -0.05 0.00 2.12 -1.26 -0.89 118.70 115.63 2wvx s GLU 225 Ca 0.01 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 2wvx s GLU 225 Cb 0.11 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.65 2wvx s GLU 225 CO 0.73 -0.08 0.12 -0.65 -0.54 0.00 0.00 175.26 174.85 2wvx s GLN 226 N -1.13 0.14 -0.24 4.30 -1.52 -0.36 -5.00 119.66 115.85 2wvx s GLN 226 Ca -0.12 0.17 0.00 0.00 -1.95 0.00 0.00 55.36 53.46 2wvx s GLN 226 Cb -0.07 0.06 0.06 0.00 -0.22 0.00 0.00 33.01 32.84 2wvx s GLN 226 CO 0.01 -0.02 -0.03 0.99 -0.25 0.00 0.00 175.29 175.98 2wvx s THR 227 N 0.10 1.41 0.25 -0.19 2.01 -1.26 -1.37 115.64 116.58 2wvx s THR 227 Ca -0.00 -1.20 -0.21 0.00 0.31 0.00 0.00 61.69 60.59 2wvx s THR 227 Cb -0.01 -1.74 0.05 0.00 0.01 0.00 0.00 72.50 70.81 2wvx s THR 227 CO -0.00 -0.17 0.85 0.28 -0.69 0.00 0.00 174.62 174.89 2wvx s THR 228 N 1.44 0.00 0.17 -0.82 -1.32 -0.98 -5.03 115.64 109.10 2wvx s THR 228 Ca -0.04 -0.85 -0.14 0.00 -1.21 0.00 0.00 61.69 59.45 2wvx s THR 228 Cb -0.19 -2.31 0.05 0.00 -1.51 0.00 0.00 72.50 68.55 2wvx s THR 228 CO -0.07 0.00 1.82 -0.78 -2.21 0.00 0.00 174.62 173.37 2wvx h ASP 229 N 2.00 0.51 -3.04 8.08 3.58 -1.94 -1.11 116.42 124.49 2wvx h ASP 229 Ca -0.24 -0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.60 2wvx h ASP 229 Cb 1.24 -0.11 -0.40 0.00 1.72 0.00 0.00 39.33 41.78 2wvx h ASP 229 CO 0.29 0.36 -0.79 -2.28 -2.88 0.00 0.00 179.24 173.94 2wvx s HIS 230 N -6.15 1.70 0.37 0.28 2.46 -1.26 -0.40 115.29 112.30 2wvx s HIS 230 Ca -0.13 -2.33 -0.19 0.00 0.47 0.00 0.00 55.06 52.88 2wvx s HIS 230 Cb 0.12 -1.57 -0.10 0.00 -0.13 0.00 0.00 32.58 30.90 2wvx s HIS 230 CO 0.74 -0.78 0.86 0.00 -2.47 0.00 0.00 174.74 173.09 2wvx s ALA 231 N 0.26 3.17 0.28 1.58 0.00 -1.25 -3.64 121.76 122.16 2wvx s ALA 231 Ca 0.21 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 2wvx s ALA 231 Cb -0.16 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2wvx s ALA 231 CO -0.05 0.22 0.55 0.20 0.00 0.00 0.00 175.76 176.67 2wvx s GLY 232 N -2.16 0.55 -0.03 0.00 0.00 -1.04 -1.72 107.32 102.93 2wvx s GLY 232 Ca 0.57 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 44.37 2wvx s GLY 232 CO 0.16 -0.56 0.14 0.00 0.00 0.00 0.00 173.10 172.83 2wvx s ALA 233 N -3.71 -0.33 -0.13 3.20 0.00 0.02 -0.96 121.76 119.86 2wvx s ALA 233 Ca 0.21 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 2wvx s ALA 233 Cb -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2wvx s ALA 233 CO 0.10 -0.13 -0.11 0.42 0.00 0.00 0.00 175.76 176.05 2wvx s ILE 234 N -0.56 1.28 0.29 0.00 1.01 0.24 0.21 121.20 123.68 2wvx s ILE 234 Ca -0.06 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.22 2wvx s ILE 234 Cb -0.04 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2wvx s ILE 234 CO 0.01 0.41 0.05 0.27 0.00 0.00 0.00 174.94 175.68 2wvx s ILE 235 N 1.58 3.31 0.28 2.92 -5.25 -0.80 -0.76 121.20 122.48 2wvx s ILE 235 Ca 0.05 -1.82 -0.15 0.00 -0.99 0.00 0.00 60.65 57.73 2wvx s ILE 235 Cb -0.13 -2.91 0.06 0.00 2.95 0.00 0.00 42.46 42.43 2wvx s ILE 235 CO -0.09 -0.30 0.78 0.61 -1.79 0.00 0.00 174.94 174.15 2wvx n GLY 236 N -0.99 0.93 3.72 6.27 0.00 -0.49 -0.36 105.19 114.27 2wvx n GLY 236 Ca -0.05 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.79 2wvx n GLY 236 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wvx s PHE 237 N -2.79 -0.03 0.15 1.61 -0.71 -0.68 -0.19 117.98 115.34 2wvx s PHE 237 Ca 0.16 -0.12 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 2wvx s PHE 237 Cb -0.04 0.57 -0.08 0.00 -1.21 0.00 0.00 43.02 42.27 2wvx s PHE 237 CO 0.08 -0.40 0.70 -1.59 -1.34 0.00 0.00 175.22 172.67 2wvx s LYS 238 N -2.46 4.38 0.09 1.99 -2.85 -1.26 -1.70 119.74 117.93 2wvx s LYS 238 Ca 0.17 0.96 0.07 0.00 -1.00 0.00 0.00 55.97 56.17 2wvx s LYS 238 Cb 0.03 -3.15 -0.03 0.00 -2.06 0.00 0.00 37.83 32.61 2wvx s LYS 238 CO -0.02 0.55 -0.18 0.95 0.10 0.00 0.00 175.35 176.75 2wvx s THR 239 N -1.24 1.48 0.39 3.79 -4.23 -0.17 -4.98 115.64 110.68 2wvx s THR 239 Ca 0.36 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 2wvx s THR 239 Cb -0.20 -1.39 -0.00 0.00 1.34 0.00 0.00 72.50 72.25 2wvx s THR 239 CO 0.23 -0.14 0.56 0.00 -0.54 0.00 0.00 174.62 174.72 2wvx s ARG 240 N -1.91 3.04 0.13 3.99 1.70 -1.26 -1.24 118.95 123.41 2wvx s ARG 240 Ca 0.04 -0.85 -0.34 0.00 -0.47 0.00 0.00 55.73 54.11 2wvx s ARG 240 Cb -0.10 -2.71 -0.14 0.00 -0.57 0.00 0.00 34.95 31.43 2wvx s ARG 240 CO 0.04 -0.12 1.55 1.17 -1.08 0.00 0.00 175.30 176.86 2wvx n LYS 241 N -1.84 1.98 -0.96 3.89 4.81 -1.26 -1.62 118.16 123.15 2wvx n LYS 241 Ca 0.01 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2wvx n LYS 241 Cb 0.58 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.16 2wvx n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wvx n GLY 242 N 3.32 0.50 3.70 3.14 0.00 -0.21 -4.86 105.19 110.78 2wvx n GLY 242 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2wvx n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvx s GLU 243 N -0.40 4.22 -0.17 1.61 2.12 -0.64 -4.72 118.70 120.72 2wvx s GLU 243 Ca 0.00 2.27 -0.13 0.00 0.36 0.00 0.00 54.97 57.47 2wvx s GLU 243 Cb 0.00 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2wvx s GLU 243 CO 0.00 -0.67 0.25 -0.65 -0.54 0.00 0.00 175.26 173.65 2wvx s GLN 244 N 2.20 4.24 -0.15 4.30 -0.21 -1.26 -0.80 119.66 127.97 2wvx s GLN 244 Ca 0.71 0.01 0.02 0.00 0.02 0.00 0.00 55.36 56.12 2wvx s GLN 244 Cb -0.39 -3.42 0.01 0.00 1.00 0.00 0.00 33.01 30.21 2wvx s GLN 244 CO 0.31 0.25 -0.21 0.08 -2.12 0.00 0.00 175.29 173.61 2wvx s VAL 245 N 0.44 2.03 -0.11 1.09 1.01 0.77 -4.95 120.40 120.68 2wvx s VAL 245 Ca 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 2wvx s VAL 245 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2wvx s VAL 245 CO 0.02 0.54 0.18 0.20 0.00 0.00 0.00 175.10 176.04 2wvx s ASN 246 N 1.02 6.43 -0.13 3.32 0.01 -1.26 -0.55 114.94 123.78 2wvx s ASN 246 Ca -0.02 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 2wvx s ASN 246 Cb -0.14 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.44 2wvx s ASN 246 CO -0.06 0.38 -0.13 0.00 -1.51 0.00 0.00 177.10 175.77 2wvx s ALA 247 N -0.90 1.69 -0.20 0.60 0.00 0.45 -1.48 121.76 121.93 2wvx s ALA 247 Ca 0.16 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 2wvx s ALA 247 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2wvx s ALA 247 CO 0.05 -0.31 0.41 1.03 0.00 0.00 0.00 175.76 176.94 2wvx s ARG 248 N 1.41 4.18 -0.02 0.00 0.52 -0.10 -0.11 118.95 124.82 2wvx s ARG 248 Ca 0.02 0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 2wvx s ARG 248 Cb -0.13 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.81 2wvx s ARG 248 CO -0.08 -0.04 -0.10 0.42 0.02 0.00 0.00 175.30 175.53 2wvx s ILE 249 N 1.29 0.82 0.06 1.52 1.01 -0.14 -0.82 121.20 124.94 2wvx s ILE 249 Ca 0.20 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 2wvx s ILE 249 Cb -0.15 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 2wvx s ILE 249 CO 0.08 0.25 0.08 0.00 0.00 0.00 0.00 174.94 175.35 2wvx s ALA 250 N 0.12 0.10 0.16 9.38 0.00 -0.85 -0.54 121.76 130.13 2wvx s ALA 250 Ca -0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2wvx s ALA 250 Cb -0.08 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2wvx s ALA 250 CO 0.00 -0.41 0.06 -1.54 0.00 0.00 0.00 175.76 173.88 2wvx s SER 251 N -2.71 0.45 0.02 0.00 1.04 -1.17 -1.64 113.70 109.68 2wvx s SER 251 Ca 0.03 -1.25 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 2wvx s SER 251 Cb 0.05 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 2wvx s SER 251 CO -0.09 -0.73 0.14 -0.55 0.98 0.00 0.00 173.24 172.99 2wvx s SER 252 N -3.10 0.07 0.00 7.02 0.15 -0.14 -4.73 113.70 112.98 2wvx s SER 252 Ca 0.27 -0.32 0.21 0.00 0.70 0.00 0.00 55.95 56.81 2wvx s SER 252 Cb 0.07 0.22 0.56 0.00 -1.71 0.00 0.00 66.02 65.16 2wvx s SER 252 CO 0.04 -0.44 1.45 0.49 1.20 0.00 0.00 173.24 175.99 2wvx n PHE 253 N 1.14 0.41 -0.10 3.44 3.01 -1.26 -0.78 117.46 123.32 2wvx n PHE 253 Ca -0.21 -0.20 -0.19 0.00 1.01 0.00 0.00 57.45 57.86 2wvx n PHE 253 Cb 0.57 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.98 2wvx n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wvx n ILE 254 N 0.93 1.35 -3.61 4.37 5.41 -1.26 -4.70 119.36 121.85 2wvx n ILE 254 Ca 0.18 -0.14 -0.04 0.00 1.00 0.00 0.00 62.75 63.75 2wvx n ILE 254 Cb 0.46 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.41 2wvx n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wvx s SER 255 N -6.66 -0.18 0.17 4.38 1.04 -1.26 -5.00 113.70 106.18 2wvx s SER 255 Ca -0.30 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 2wvx s SER 255 Cb 0.09 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.54 2wvx s SER 255 CO 0.39 -0.48 1.82 -0.26 0.98 0.00 0.00 173.24 175.69 2wvx h PHE 256 N 2.00 0.55 -0.99 5.02 0.04 -1.93 -1.52 116.94 120.11 2wvx h PHE 256 Ca -0.20 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.61 2wvx h PHE 256 Cb 1.21 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 39.12 2wvx h PHE 256 CO 0.30 0.33 0.65 0.93 -0.60 0.00 0.00 178.31 179.92 2wvx h GLU 257 N 0.59 1.22 -0.48 1.51 4.39 -1.99 -0.95 114.58 118.86 2wvx h GLU 257 Ca 0.18 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 2wvx h GLU 257 Cb -0.02 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 2wvx h GLU 257 CO -0.06 0.81 -0.09 0.37 -1.16 0.00 0.00 179.01 178.88 2wvx h GLN 258 N 1.25 0.87 -0.89 2.33 5.75 -1.90 -1.46 115.11 121.07 2wvx h GLN 258 Ca 0.39 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2wvx h GLN 258 Cb -0.01 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 2wvx h GLN 258 CO -0.12 0.92 0.58 0.00 -2.65 0.00 0.00 178.83 177.56 2wvx h ALA 259 N 1.11 1.14 -0.41 3.38 0.00 -0.66 1.00 119.26 124.82 2wvx h ALA 259 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wvx h ALA 259 Cb 0.59 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wvx h ALA 259 CO 0.04 0.49 0.05 0.00 0.00 0.00 0.00 179.25 179.82 2wvx h ALA 260 N 1.34 1.32 -0.44 0.00 0.00 -0.82 -2.02 119.26 118.64 2wvx h ALA 260 Ca 0.34 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2wvx h ALA 260 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2wvx h ALA 260 CO -0.09 0.47 -0.24 0.00 0.00 0.00 0.00 179.25 179.39 2wvx h ALA 261 N 1.45 0.73 0.00 0.00 0.00 -0.60 -3.30 119.26 117.55 2wvx h ALA 261 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2wvx h ALA 261 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wvx h ALA 261 CO 0.01 0.66 0.15 0.09 0.00 0.00 0.00 179.25 180.16 2wvx n ASN 262 N -4.10 1.27 0.00 0.00 3.02 0.28 -4.37 115.26 111.37 2wvx n ASN 262 Ca -0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 2wvx n ASN 262 Cb 0.47 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2wvx n ASN 262 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wvx n ASN 264 N 2.41 0.00 0.19 6.41 5.03 -1.25 -4.51 115.26 123.55 2wvx n ASN 264 Ca 0.05 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.67 2wvx n ASN 264 Cb 0.17 -0.07 0.79 0.00 -1.02 0.00 0.00 39.78 39.66 2wvx n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2wvx h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.94 -0.67 114.58 120.57 2wvx h GLU 265 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wvx h GLU 265 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wvx h GLU 265 CO 0.00 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.94 2wvx h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.96 -3.49 115.31 114.57 2wvx h LEU 266 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wvx h LEU 266 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wvx h LEU 266 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2wvx n GLY 267 N 1.02 2.32 0.67 0.83 0.00 -0.26 -1.80 105.19 107.97 2wvx n GLY 267 Ca 0.04 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.88 2wvx n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wvx n LYS 268 N 14.00 2.08 -2.04 1.61 4.76 -1.26 -4.97 118.16 132.34 2wvx n LYS 268 Ca 0.00 -2.88 -0.37 0.00 -2.87 0.00 0.00 58.31 52.20 2wvx n LYS 268 Cb 0.00 -1.72 0.02 0.00 -1.84 0.00 0.00 35.03 31.50 2wvx n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wvx s ASP 269 N -2.46 5.44 0.70 4.39 1.01 -0.75 -5.06 116.67 119.94 2wvx s ASP 269 Ca 0.39 2.43 0.01 0.00 0.71 0.00 0.00 52.55 56.09 2wvx s ASP 269 Cb 0.34 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.79 2wvx s ASP 269 CO 0.04 -1.43 0.92 -0.46 0.21 0.00 0.00 175.17 174.45 2wvx n ASN 270 N -1.24 1.32 -0.16 0.27 0.23 -1.26 -4.86 115.26 109.56 2wvx n ASN 270 Ca 0.12 -2.09 -0.03 0.00 -0.53 0.00 0.00 54.58 52.05 2wvx n ASN 270 Cb 0.48 -0.59 0.06 0.00 -2.08 0.00 0.00 39.78 37.66 2wvx n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wvx h ILE 271 N -0.54 0.78 -0.76 1.53 1.08 -1.97 -0.42 117.51 117.22 2wvx h ILE 271 Ca -0.30 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 2wvx h ILE 271 Cb 1.14 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 2wvx h ILE 271 CO 0.33 0.05 0.29 -0.33 -0.69 0.00 0.00 178.15 177.80 2wvx h GLU 272 N 0.29 1.14 -0.18 2.37 3.07 -1.99 0.17 114.58 119.45 2wvx h GLU 272 Ca 0.24 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 2wvx h GLU 272 Cb 0.29 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2wvx h GLU 272 CO -0.28 0.94 -0.21 1.96 -1.40 0.00 0.00 179.01 180.02 2wvx h GLN 273 N 1.10 0.45 -0.40 2.33 4.20 -1.82 -1.85 115.11 119.12 2wvx h GLN 273 Ca 0.25 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2wvx h GLN 273 Cb 0.24 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2wvx h GLN 273 CO -0.02 0.83 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.76 2wvx h LEU 274 N 0.10 0.72 -0.36 1.46 3.38 -0.94 -2.06 115.31 117.61 2wvx h LEU 274 Ca 0.02 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2wvx h LEU 274 Cb 0.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2wvx h LEU 274 CO 0.05 0.87 0.22 0.00 0.09 0.00 0.00 178.44 179.67 2wvx h ALA 275 N 1.19 0.45 -0.80 1.53 0.00 -0.63 -0.59 119.26 120.42 2wvx h ALA 275 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wvx h ALA 275 Cb 0.61 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2wvx h ALA 275 CO 0.04 -0.12 0.48 0.37 0.00 0.00 0.00 179.25 180.02 2wvx h GLN 276 N 0.44 1.09 -0.46 0.00 5.75 -1.14 0.15 115.11 120.94 2wvx h GLN 276 Ca 0.14 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 2wvx h GLN 276 Cb -0.01 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 2wvx h GLN 276 CO -0.06 0.77 -0.18 0.87 -2.65 0.00 0.00 178.83 177.58 2wvx h LYS 277 N 1.11 0.91 -0.34 1.69 1.57 -0.97 -0.11 116.57 120.43 2wvx h LYS 277 Ca 0.29 -0.36 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 2wvx h LYS 277 Cb -0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2wvx h LYS 277 CO -0.05 1.01 -0.29 0.78 -0.57 0.00 0.00 179.45 180.33 2wvx h GLY 278 N 0.93 0.86 0.78 3.86 0.00 -0.65 -0.65 103.07 108.19 2wvx h GLY 278 Ca 0.11 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2wvx h GLY 278 CO 0.06 0.77 0.36 1.70 0.00 0.00 0.00 176.54 179.42 2wvx h LYS 279 N 0.56 0.66 -0.42 4.80 3.64 -0.60 -0.84 116.57 124.38 2wvx h LYS 279 Ca 0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2wvx h LYS 279 Cb 0.86 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2wvx h LYS 279 CO 0.07 0.44 0.21 -0.44 -2.27 0.00 0.00 179.45 177.46 2wvx h ASP 280 N 0.68 0.55 -0.40 4.20 3.32 -0.89 0.01 116.42 123.89 2wvx h ASP 280 Ca 0.26 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2wvx h ASP 280 Cb 0.10 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2wvx h ASP 280 CO -0.14 0.51 0.18 0.00 -1.72 0.00 0.00 179.24 178.07 2wvx h ALA 281 N 1.06 0.49 -0.60 3.45 0.00 -0.73 -0.56 119.26 122.37 2wvx h ALA 281 Ca 0.15 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2wvx h ALA 281 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2wvx h ALA 281 CO -0.02 -0.20 0.23 -1.49 0.00 0.00 0.00 179.25 177.77 2wvx h TRP 282 N 0.36 0.93 -0.02 0.00 4.06 -0.87 -2.99 115.95 117.42 2wvx h TRP 282 Ca 0.18 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.98 2wvx h TRP 282 Cb 0.12 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 2wvx h TRP 282 CO -0.12 0.75 -0.31 -0.91 -3.56 0.00 0.00 178.44 174.28 2wvx h ASN 283 N 0.84 0.03 -0.69 -3.49 -0.26 -0.59 0.10 115.58 111.52 2wvx h ASN 283 Ca 0.20 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 2wvx h ASN 283 Cb 0.23 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 2wvx h ASN 283 CO -0.01 0.34 0.41 -0.61 -1.06 0.00 0.00 177.43 176.50 2wvx h GLN 284 N 0.03 0.94 0.18 0.81 5.75 -0.97 0.16 115.11 122.01 2wvx h GLN 284 Ca 0.00 -0.09 -0.35 0.00 -0.15 0.00 0.00 58.65 58.07 2wvx h GLN 284 Cb 0.57 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 28.93 2wvx h GLN 284 CO 0.04 0.67 -1.72 -0.39 -2.65 0.00 0.00 178.83 174.79 2wvx h VAL 285 N 0.94 0.97 -0.54 2.39 -1.51 -1.32 -3.34 116.25 113.85 2wvx h VAL 285 Ca 0.25 -2.56 -0.09 0.00 -1.23 0.00 0.00 66.70 63.07 2wvx h VAL 285 Cb -0.02 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.89 2wvx h VAL 285 CO -0.05 0.85 -0.01 -0.07 -1.23 0.00 0.00 177.57 177.06 2wvx h LEU 286 N 0.10 0.90 0.00 4.19 3.38 -0.82 -2.86 115.31 120.20 2wvx h LEU 286 Ca -0.33 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2wvx h LEU 286 Cb 2.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2wvx h LEU 286 CO 0.18 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.28 2wvx n GLY 287 N -0.52 -0.79 0.28 0.83 0.00 0.04 -2.07 105.19 102.96 2wvx n GLY 287 Ca 0.03 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.16 2wvx n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvx h LYS 288 N 0.00 0.00 -3.95 1.61 1.79 -1.62 -3.39 116.57 111.00 2wvx h LYS 288 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2wvx h LYS 288 Cb 0.15 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.41 2wvx h LYS 288 CO 0.00 0.00 -0.78 0.42 -1.08 0.00 0.00 179.45 178.01 2wvx s ILE 289 N -3.81 0.94 -0.27 1.86 1.01 -0.88 -0.48 121.20 119.58 2wvx s ILE 289 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 2wvx s ILE 289 Cb 0.10 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2wvx s ILE 289 CO 0.44 -0.03 0.01 -1.61 0.00 0.00 0.00 174.94 173.75 2wvx s GLU 290 N 1.69 3.03 0.09 2.79 2.02 -0.26 -4.96 118.70 123.10 2wvx s GLU 290 Ca -0.01 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.15 2wvx s GLU 290 Cb -0.16 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2wvx s GLU 290 CO -0.07 -0.39 0.04 0.14 0.02 0.00 0.00 175.26 174.99 2wvx s VAL 291 N 1.43 4.24 0.25 2.63 -7.23 -1.26 -0.87 120.40 119.58 2wvx s VAL 291 Ca 0.02 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 2wvx s VAL 291 Cb -0.17 -3.04 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2wvx s VAL 291 CO -0.01 0.10 0.55 -1.83 -0.31 0.00 0.00 175.10 173.60 2wvx s GLU 292 N -2.42 1.58 -0.71 4.82 -1.05 -0.01 -4.97 118.70 115.95 2wvx s GLU 292 Ca 0.28 -1.11 -0.01 0.00 -0.15 0.00 0.00 54.97 53.97 2wvx s GLU 292 Cb -0.12 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2wvx s GLU 292 CO 0.20 -0.68 0.60 0.41 0.95 0.00 0.00 175.26 176.74 2wvx n GLY 293 N -0.39 0.02 0.60 -3.83 0.00 -1.26 -2.29 105.19 98.03 2wvx n GLY 293 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 2wvx n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 294 N -1.16 3.62 3.97 -0.02 0.00 -1.26 -1.90 105.19 108.45 2wvx n GLY 294 Ca -0.12 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 2wvx n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvx s ASN 295 N -1.42 5.63 0.39 1.61 2.20 -1.26 -4.95 114.94 117.13 2wvx s ASN 295 Ca 0.07 -0.40 0.07 0.00 -0.94 0.00 0.00 52.86 51.66 2wvx s ASN 295 Cb 0.00 -0.86 0.78 0.00 -2.00 0.00 0.00 41.25 39.17 2wvx s ASN 295 CO 0.05 -0.60 1.98 0.25 -2.94 0.00 0.00 177.10 175.84 2wvx h LEU 296 N 0.84 0.41 -0.67 3.54 5.85 -2.02 -1.20 115.31 122.06 2wvx h LEU 296 Ca -0.43 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2wvx h LEU 296 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2wvx h LEU 296 CO 0.51 0.41 0.33 0.44 -0.34 0.00 0.00 178.44 179.79 2wvx h ASP 297 N 0.46 0.87 -0.33 1.25 3.32 -1.99 -0.89 116.42 119.11 2wvx h ASP 297 Ca 0.11 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2wvx h ASP 297 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2wvx h ASP 297 CO -0.01 0.75 0.00 1.56 -1.72 0.00 0.00 179.24 179.82 2wvx h GLN 298 N 0.92 0.58 -0.27 3.56 4.20 -1.65 0.72 115.11 123.16 2wvx h GLN 298 Ca 0.23 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.80 2wvx h GLN 298 Cb 0.10 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2wvx h GLN 298 CO -0.03 0.70 0.04 1.88 -0.67 0.00 0.00 178.83 180.75 2wvx h TYR 299 N 0.38 0.06 -0.45 2.96 0.05 -1.12 0.14 116.97 118.98 2wvx h TYR 299 Ca 0.09 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 2wvx h TYR 299 Cb 0.44 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 2wvx h TYR 299 CO 0.04 -0.00 0.26 0.00 -1.05 0.00 0.00 178.16 177.40 2wvx h ARG 300 N 0.13 0.62 -0.47 4.88 3.08 -1.04 -1.08 114.38 120.50 2wvx h ARG 300 Ca 0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wvx h ARG 300 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2wvx h ARG 300 CO -0.18 0.47 0.30 1.15 -1.07 0.00 0.00 179.97 180.64 2wvx h THR 301 N 0.59 1.13 0.26 2.04 2.02 -0.55 -1.01 112.91 117.39 2wvx h THR 301 Ca 0.16 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2wvx h THR 301 Cb 0.02 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2wvx h THR 301 CO -0.03 0.13 -0.13 0.15 0.37 0.00 0.00 175.52 176.01 2wvx h PHE 302 N 0.63 -0.33 -0.05 3.16 3.57 -0.49 -1.07 116.94 122.37 2wvx h PHE 302 Ca 0.17 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 2wvx h PHE 302 Cb -0.05 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2wvx h PHE 302 CO -0.04 -0.09 -0.57 1.88 -2.23 0.00 0.00 178.31 177.26 2wvx h TYR 303 N -0.51 0.20 -0.60 0.41 0.05 -1.25 0.13 116.97 115.40 2wvx h TYR 303 Ca -0.04 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2wvx h TYR 303 Cb 0.38 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 2wvx h TYR 303 CO -0.02 0.69 0.29 0.77 -1.05 0.00 0.00 178.16 178.84 2wvx h SER 304 N 0.12 0.79 -0.61 3.88 0.02 -1.15 0.13 113.55 116.72 2wvx h SER 304 Ca -0.00 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2wvx h SER 304 Cb 1.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2wvx h SER 304 CO 0.08 0.70 0.07 0.00 -1.14 0.00 0.00 176.83 176.55 2wvx h LEU 306 N 0.93 0.27 -0.49 0.00 5.85 -0.52 -1.19 115.31 120.17 2wvx h LEU 306 Ca 0.18 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2wvx h LEU 306 Cb 0.47 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2wvx h LEU 306 CO 0.02 0.23 0.00 0.22 -0.34 0.00 0.00 178.44 178.57 2wvx h TYR 307 N 0.29 -0.03 0.00 1.25 3.20 -0.61 -0.45 116.97 120.62 2wvx h TYR 307 Ca 0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2wvx h TYR 307 Cb 0.01 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2wvx h TYR 307 CO -0.05 -0.11 0.00 0.00 -1.64 0.00 0.00 178.16 176.36 2wvx h ARG 308 N 0.12 0.00 -0.01 1.82 2.47 -0.82 -2.24 114.38 115.72 2wvx h ARG 308 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2wvx h ARG 308 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2wvx h ARG 308 CO -0.41 0.00 -0.06 0.43 0.56 0.00 0.00 179.97 180.49 2wvx n SER 309 N -2.78 0.59 -1.49 7.04 7.64 -0.19 -4.09 113.62 120.34 2wvx n SER 309 Ca -0.00 -0.89 -0.07 0.00 1.01 0.00 0.00 58.87 58.92 2wvx n SER 309 Cb 0.21 -0.04 0.10 0.00 -1.01 0.00 0.00 64.21 63.47 2wvx n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wvx n LEU 310 N -0.71 3.37 -0.02 -3.43 4.77 -0.84 -4.69 117.00 115.45 2wvx n LEU 310 Ca 0.18 -4.00 -0.03 0.00 -0.03 0.00 0.00 56.01 52.13 2wvx n LEU 310 Cb 0.25 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2wvx n LEU 310 CO 0.21 1.58 -0.62 0.18 -1.33 0.00 0.00 177.39 177.41 2wvx n LEU 311 N -0.75 2.57 -4.30 2.23 4.77 -1.26 -1.47 117.00 118.80 2wvx n LEU 311 Ca 0.27 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 2wvx n LEU 311 Cb 0.86 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.68 2wvx n LEU 311 CO 0.15 0.49 -0.55 -0.36 -1.33 0.00 0.00 177.39 175.79 2wvx s PHE 312 N -2.07 2.09 0.56 -1.77 0.40 -1.26 -3.70 117.98 112.23 2wvx s PHE 312 Ca -0.05 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.71 2wvx s PHE 312 Cb 0.01 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 2wvx s PHE 312 CO 0.08 0.10 1.07 -1.25 0.70 0.00 0.00 175.22 175.92 2wvx s PRO 313 N -1.17 3.41 0.43 0.24 0.04 -1.26 -4.94 135.00 131.75 2wvx s PRO 313 Ca 0.10 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 2wvx s PRO 313 Cb -0.09 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2wvx s PRO 313 CO 0.02 -0.75 0.80 -0.98 0.04 0.00 0.00 177.00 176.13 2wvx s ARG 314 N -3.68 3.78 0.33 4.56 1.70 0.06 -4.76 118.95 120.94 2wvx s ARG 314 Ca 0.67 0.51 -0.29 0.00 -0.47 0.00 0.00 55.73 56.15 2wvx s ARG 314 Cb -0.18 -2.36 -0.12 0.00 -0.57 0.00 0.00 34.95 31.73 2wvx s ARG 314 CO 0.30 -0.08 1.47 1.63 -1.08 0.00 0.00 175.30 177.54 2wvx n LYS 315 N -1.41 2.48 -0.54 3.89 5.02 -0.14 -1.59 118.16 125.86 2wvx n LYS 315 Ca 0.03 0.87 0.06 0.00 -2.02 0.00 0.00 58.31 57.25 2wvx n LYS 315 Cb 0.54 -2.58 0.10 0.00 -0.02 0.00 0.00 35.03 33.07 2wvx n LYS 315 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wvx n PHE 316 N 1.12 0.00 -4.39 2.13 7.35 -1.26 -4.79 117.46 117.62 2wvx n PHE 316 Ca 0.06 -0.79 -0.24 0.00 -0.76 0.00 0.00 57.45 55.71 2wvx n PHE 316 Cb 0.37 -0.15 -0.09 0.00 0.35 0.00 0.00 39.48 39.96 2wvx n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2wvx s TYR 317 N -1.78 2.49 0.29 -5.13 -0.85 -1.26 -4.47 117.35 106.64 2wvx s TYR 317 Ca 0.26 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.46 2wvx s TYR 317 Cb 0.25 -1.28 -0.05 0.00 0.38 0.00 0.00 41.96 41.26 2wvx s TYR 317 CO -0.03 0.59 0.10 -1.21 -1.52 0.00 0.00 175.55 173.47 2wvx s GLU 318 N -3.64 1.54 -0.15 -3.49 2.02 0.11 -4.95 118.70 110.15 2wvx s GLU 318 Ca 0.32 -1.86 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 2wvx s GLU 318 Cb -0.02 -0.42 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 2wvx s GLU 318 CO 0.18 -0.31 -0.07 -0.51 0.02 0.00 0.00 175.26 174.57 2wvx s LEU 319 N -3.39 3.06 0.00 1.80 1.02 -1.26 -0.86 118.68 119.05 2wvx s LEU 319 Ca 0.36 -0.20 -0.13 0.00 0.02 0.00 0.00 54.13 54.18 2wvx s LEU 319 Cb 0.07 -1.73 0.18 0.00 0.02 0.00 0.00 46.19 44.74 2wvx s LEU 319 CO 0.15 0.16 1.09 -0.90 0.02 0.00 0.00 176.35 176.87 2wvx n ASP 320 N 3.57 0.14 0.23 2.29 5.68 -0.16 -4.81 116.55 123.49 2wvx n ASP 320 Ca -0.18 -1.43 0.17 0.00 -0.50 0.00 0.00 54.79 52.85 2wvx n ASP 320 Cb 0.52 -0.83 0.85 0.00 -1.14 0.00 0.00 41.12 40.53 2wvx n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wvx h ALA 321 N -1.76 1.72 -0.55 2.12 0.00 -1.99 0.23 119.26 119.03 2wvx h ALA 321 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wvx h ALA 321 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wvx h ALA 321 CO 0.26 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.35 2wvx n ASN 322 N -3.76 3.54 -0.05 0.00 3.02 -1.26 -4.92 115.26 111.83 2wvx n ASN 322 Ca 0.01 -2.19 -0.01 0.00 -0.03 0.00 0.00 54.58 52.36 2wvx n ASN 322 Cb 0.28 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2wvx n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvx n GLY 323 N 1.19 0.42 3.86 7.41 0.00 0.82 -5.03 105.19 113.86 2wvx n GLY 323 Ca 0.20 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2wvx n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvx s GLN 324 N -0.74 3.82 0.23 1.61 -1.52 -1.26 -4.68 119.66 117.11 2wvx s GLN 324 Ca 0.00 0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.37 2wvx s GLN 324 Cb 0.00 -2.96 -0.09 0.00 -0.22 0.00 0.00 33.01 29.75 2wvx s GLN 324 CO 0.00 0.52 1.18 -1.25 -0.25 0.00 0.00 175.29 175.49 2wvx s PRO 325 N -2.00 4.53 0.11 2.91 0.04 -1.26 -0.99 135.00 138.34 2wvx s PRO 325 Ca 0.35 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2wvx s PRO 325 Cb -0.14 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2wvx s PRO 325 CO 0.19 -0.00 -0.07 0.96 0.04 0.00 0.00 177.00 178.12 2wvx s ILE 326 N -0.49 0.79 -0.04 0.56 -4.36 -0.04 -0.80 121.20 116.81 2wvx s ILE 326 Ca 0.50 -1.97 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 2wvx s ILE 326 Cb -0.33 -1.75 0.02 0.00 1.25 0.00 0.00 42.46 41.65 2wvx s ILE 326 CO 0.39 -0.81 0.29 -1.38 0.24 0.00 0.00 174.94 173.67 2wvx s HIS 327 N -3.57 -0.20 0.22 1.37 -3.43 0.21 0.07 115.29 109.96 2wvx s HIS 327 Ca 0.14 0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 54.49 2wvx s HIS 327 Cb 0.05 0.08 -0.09 0.00 -1.43 0.00 0.00 32.58 31.19 2wvx s HIS 327 CO -0.03 -0.30 1.33 -0.47 -2.00 0.00 0.00 174.74 173.27 2wvx s TYR 328 N -0.87 3.20 -0.38 0.38 5.04 -1.26 -0.71 117.35 122.76 2wvx s TYR 328 Ca -0.09 1.20 -0.22 0.00 -2.44 0.00 0.00 57.07 55.52 2wvx s TYR 328 Cb -0.05 -3.65 0.01 0.00 0.35 0.00 0.00 41.96 38.62 2wvx s TYR 328 CO 0.03 -2.03 0.70 0.45 -1.34 0.00 0.00 175.55 173.36 2wvx s SER 329 N 0.26 6.45 0.00 4.32 0.15 0.55 -4.90 113.70 120.54 2wvx s SER 329 Ca 0.56 0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.56 2wvx s SER 329 Cb -0.38 -2.35 0.92 0.00 -1.71 0.00 0.00 66.02 62.50 2wvx s SER 329 CO 0.40 -0.68 1.65 -0.81 1.20 0.00 0.00 173.24 175.00 2wvx n PRO 330 N 6.24 0.10 -0.02 5.44 -0.04 -1.26 -0.84 135.00 144.61 2wvx n PRO 330 Ca 0.00 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 2wvx n PRO 330 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 2wvx n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wvx n TYR 331 N -1.43 0.96 -0.67 0.54 4.01 -1.26 -4.00 117.16 115.31 2wvx n TYR 331 Ca 0.07 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 2wvx n TYR 331 Cb 0.21 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.09 2wvx n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wvx n ASN 332 N -3.23 0.16 0.00 7.72 0.23 -1.19 -4.85 115.26 114.11 2wvx n ASN 332 Ca -0.27 -0.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 2wvx n ASN 332 Cb 1.05 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.79 2wvx n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wvx n GLY 333 N 0.03 1.58 3.85 4.83 0.00 -0.02 -5.02 105.19 110.43 2wvx n GLY 333 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wvx n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvx s GLN 334 N -0.08 2.95 -0.22 1.61 -0.21 -1.26 -4.67 119.66 117.78 2wvx s GLN 334 Ca 0.00 0.73 -0.07 0.00 0.02 0.00 0.00 55.36 56.04 2wvx s GLN 334 Cb 0.00 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2wvx s GLN 334 CO 0.00 -1.03 0.07 0.08 -2.12 0.00 0.00 175.29 172.29 2wvx s VAL 335 N -3.17 4.49 0.06 1.09 1.01 -1.26 -0.33 120.40 122.29 2wvx s VAL 335 Ca 0.58 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2wvx s VAL 335 Cb -0.13 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2wvx s VAL 335 CO 0.54 0.38 -0.07 -0.76 0.00 0.00 0.00 175.10 175.19 2wvx s LEU 336 N 1.12 2.36 0.55 3.92 1.43 0.12 -4.95 118.68 123.23 2wvx s LEU 336 Ca 0.04 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.22 2wvx s LEU 336 Cb -0.14 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.90 2wvx s LEU 336 CO 0.03 -0.31 1.14 -2.16 0.23 0.00 0.00 176.35 175.28 2wvx s PRO 337 N -2.48 3.30 0.00 1.29 0.04 -1.26 -0.62 135.00 135.27 2wvx s PRO 337 Ca -0.01 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2wvx s PRO 337 Cb -0.04 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2wvx s PRO 337 CO -0.02 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2wvx n GLY 338 N 0.16 1.16 3.02 0.56 0.00 0.02 -4.80 105.19 105.32 2wvx n GLY 338 Ca 0.12 -2.23 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 2wvx n GLY 338 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wvx n TYR 339 N -0.61 -3.97 -3.59 1.61 4.01 -1.26 -3.88 117.16 109.46 2wvx n TYR 339 Ca 0.00 -0.92 -0.05 0.00 -0.16 0.00 0.00 57.90 56.78 2wvx n TYR 339 Cb 0.00 -0.82 -0.02 0.00 -0.31 0.00 0.00 39.34 38.18 2wvx n TYR 339 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2wvx s PHE 341 N -3.23 -0.15 0.14 -0.72 0.40 -1.26 -3.93 117.98 109.22 2wvx s PHE 341 Ca 0.59 0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 57.02 2wvx s PHE 341 Cb -0.02 0.51 0.02 0.00 0.51 0.00 0.00 43.02 44.03 2wvx s PHE 341 CO 0.42 -0.22 0.26 -2.37 0.70 0.00 0.00 175.22 174.01 2wvx n THR 342 N 0.04 0.00 -3.03 0.64 5.66 -0.62 -4.84 114.28 112.12 2wvx n THR 342 Ca -0.01 -0.48 -0.13 0.00 -3.05 0.00 0.00 64.05 60.38 2wvx n THR 342 Cb 0.58 0.39 0.07 0.00 -1.55 0.00 0.00 70.33 69.82 2wvx n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2wvx n ASP 343 N -1.46 -3.00 -3.89 1.09 8.00 -0.65 -0.76 116.55 115.87 2wvx n ASP 343 Ca -0.02 -0.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.87 2wvx n ASP 343 Cb 0.22 -4.09 -0.10 0.00 -0.02 0.00 0.00 41.12 37.14 2wvx n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wvx s THR 344 N -3.28 0.09 -0.33 -3.53 -1.32 -1.13 -4.48 115.64 101.65 2wvx s THR 344 Ca 0.10 -0.73 -0.05 0.00 -1.21 0.00 0.00 61.69 59.79 2wvx s THR 344 Cb -0.01 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.60 2wvx s THR 344 CO 0.56 -0.40 0.09 -0.83 -2.21 0.00 0.00 174.62 171.83 2wvx s GLY 345 N -1.41 1.83 0.56 6.08 0.00 -1.26 -2.73 107.32 110.39 2wvx s GLY 345 Ca -0.15 -1.76 0.26 0.00 0.00 0.00 0.00 44.72 43.06 2wvx s GLY 345 CO 0.01 0.76 2.13 0.74 0.00 0.00 0.00 173.10 176.74 2wvx h PHE 346 N 8.18 0.00 -0.69 1.90 0.04 -1.54 0.22 116.94 125.05 2wvx h PHE 346 Ca -0.23 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.64 2wvx h PHE 346 Cb 1.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 2wvx h PHE 346 CO 0.60 0.00 0.45 2.35 -0.60 0.00 0.00 178.31 181.11 2wvx h TRP 347 N 0.00 0.59 0.01 -0.55 7.01 -1.83 -1.50 115.95 119.68 2wvx h TRP 347 Ca 0.07 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2wvx h TRP 347 Cb 0.36 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 2wvx h TRP 347 CO 0.00 0.28 -0.01 -0.44 -2.79 0.00 0.00 178.44 175.48 2wvx h ASP 348 N 0.55 -0.01 0.37 2.65 3.45 -0.99 -3.43 116.42 119.01 2wvx h ASP 348 Ca 0.32 -0.53 0.00 0.00 0.43 0.00 0.00 57.03 57.24 2wvx h ASP 348 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2wvx h ASP 348 CO -0.10 0.74 -0.37 0.35 -1.57 0.00 0.00 179.24 178.29 2wvx n THR 349 N -4.71 0.00 0.11 0.35 -2.24 -0.49 -3.29 114.28 104.02 2wvx n THR 349 Ca -0.06 -0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 2wvx n THR 349 Cb 0.26 0.31 0.42 0.00 -2.10 0.00 0.00 70.33 69.22 2wvx n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2wvx h PHE 350 N 0.62 0.28 0.40 4.78 -0.00 -1.55 -1.60 116.94 119.86 2wvx h PHE 350 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.93 2wvx h PHE 350 Cb 0.50 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.37 2wvx h PHE 350 CO 0.00 0.33 -0.19 0.00 -0.00 0.00 0.00 178.31 178.45 2wvx h ARG 351 N 0.26 -0.51 0.00 6.09 3.08 -1.80 -3.42 114.38 118.08 2wvx h ARG 351 Ca 0.06 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2wvx h ARG 351 Cb 0.26 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wvx h ARG 351 CO 0.01 -0.33 0.00 0.00 -1.07 0.00 0.00 179.97 178.58 2wvx h LEU 353 N 0.00 -0.28 -0.78 0.00 7.12 -1.78 -0.50 115.31 119.08 2wvx h LEU 353 Ca 0.00 -0.16 -0.07 0.00 0.13 0.00 0.00 57.88 57.78 2wvx h LEU 353 Cb 0.00 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 2wvx h LEU 353 CO 0.00 0.01 0.14 -0.26 -0.13 0.00 0.00 178.44 178.20 2wvx h PHE 354 N -0.58 1.12 -0.64 1.25 0.04 -1.55 -2.27 116.94 114.31 2wvx h PHE 354 Ca -0.03 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2wvx h PHE 354 Cb 0.42 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2wvx h PHE 354 CO 0.01 0.92 0.42 -1.35 -0.60 0.00 0.00 178.31 177.70 2wvx h PRO 355 N 1.01 0.85 -0.80 1.51 0.11 -1.79 -1.69 132.00 131.20 2wvx h PRO 355 Ca 0.21 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.30 2wvx h PRO 355 Cb 0.38 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 2wvx h PRO 355 CO 0.00 0.57 0.51 1.25 -0.21 0.00 0.00 178.00 180.12 2wvx h LEU 356 N 0.87 0.83 -0.69 2.35 5.85 -0.49 -1.67 115.31 122.37 2wvx h LEU 356 Ca 0.23 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2wvx h LEU 356 Cb -0.09 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2wvx h LEU 356 CO -0.05 0.57 0.28 -0.07 -0.34 0.00 0.00 178.44 178.83 2wvx h LEU 357 N 0.98 0.95 -2.03 2.25 3.38 -1.12 -2.65 115.31 117.07 2wvx h LEU 357 Ca 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wvx h LEU 357 Cb 0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2wvx h LEU 357 CO -0.12 0.86 -0.09 0.78 0.09 0.00 0.00 178.44 179.95 2wvx h ASN 358 N 0.98 0.00 0.60 -0.43 -0.26 -0.94 0.13 115.58 115.66 2wvx h ASN 358 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2wvx h ASN 358 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2wvx h ASN 358 CO -0.02 0.09 -0.22 -0.11 -1.06 0.00 0.00 177.43 176.12 2wvx n LEU 359 N -3.75 0.36 -2.95 1.61 7.94 -0.67 -4.45 117.00 115.09 2wvx n LEU 359 Ca -0.02 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2wvx n LEU 359 Cb 0.20 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.85 2wvx n LEU 359 CO 0.30 0.08 0.03 -1.22 -1.11 0.00 0.00 177.39 175.46 2wvx n TYR 361 N -1.30 0.00 0.06 1.96 4.01 0.28 -4.78 117.16 117.39 2wvx n TYR 361 Ca 0.09 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.87 2wvx n TYR 361 Cb 0.32 -0.16 0.46 0.00 -0.31 0.00 0.00 39.34 39.65 2wvx n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wvx h PRO 362 N 3.13 0.42 -0.49 -0.72 0.13 -1.30 0.07 132.00 133.24 2wvx h PRO 362 Ca 0.00 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.20 2wvx h PRO 362 Cb 0.00 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.01 2wvx h PRO 362 CO 0.03 0.29 0.34 0.66 -0.23 0.00 0.00 178.00 179.09 2wvx h SER 363 N 0.43 0.21 -0.05 1.44 4.64 -1.96 -0.10 113.55 118.15 2wvx h SER 363 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2wvx h SER 363 Cb -0.02 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2wvx h SER 363 CO -0.02 0.12 -0.55 0.58 -0.87 0.00 0.00 176.83 176.09 2wvx h VAL 364 N 0.23 1.40 0.00 0.95 2.07 -1.33 -3.15 116.25 116.42 2wvx h VAL 364 Ca 0.23 -1.95 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 2wvx h VAL 364 Cb 0.60 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2wvx h VAL 364 CO -0.04 0.57 -0.19 -1.13 0.02 0.00 0.00 177.57 176.80 2wvx h ASN 365 N 0.00 0.00 -0.43 0.57 -1.24 -1.17 -2.15 115.58 111.16 2wvx h ASN 365 Ca -0.05 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.03 2wvx h ASN 365 Cb 1.22 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.21 2wvx h ASN 365 CO 0.11 0.19 0.08 0.50 -1.29 0.00 0.00 177.43 177.02 2wvx h LYS 366 N 0.00 0.20 -0.69 6.67 1.63 -1.00 0.25 116.57 123.64 2wvx h LYS 366 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2wvx h LYS 366 Cb 0.41 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2wvx h LYS 366 CO 0.02 0.13 0.00 0.39 -3.45 0.00 0.00 179.45 176.55 2wvx n GLU 367 N -5.11 0.08 0.00 1.90 1.02 -0.81 -1.95 120.64 115.77 2wvx n GLU 367 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2wvx n GLU 367 Cb 0.20 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2wvx n GLU 367 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wvx n GLN 369 N 0.63 0.00 -0.09 3.49 1.13 0.89 -1.21 117.38 122.21 2wvx n GLN 369 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 2wvx n GLN 369 Cb 0.03 0.00 0.21 0.00 0.11 0.00 0.00 30.24 30.58 2wvx n GLN 369 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2wvx h GLU 370 N 0.00 0.74 -0.95 -1.09 4.39 -1.63 -2.10 114.58 113.94 2wvx h GLU 370 Ca 0.00 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.56 2wvx h GLU 370 Cb 0.00 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 2wvx h GLU 370 CO 0.00 0.71 0.62 0.78 -1.16 0.00 0.00 179.01 179.97 2wvx h GLY 371 N 0.94 1.37 1.06 -3.84 0.00 -1.28 -0.92 103.07 100.39 2wvx h GLY 371 Ca 0.15 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2wvx h GLY 371 CO 0.01 0.44 0.23 1.41 0.00 0.00 0.00 176.54 178.62 2wvx h LEU 372 N 1.23 1.08 -0.56 3.11 3.38 -1.71 0.71 115.31 122.56 2wvx h LEU 372 Ca 0.37 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2wvx h LEU 372 Cb -0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2wvx h LEU 372 CO -0.11 1.00 0.37 0.40 0.09 0.00 0.00 178.44 180.20 2wvx h ILE 373 N 1.10 1.14 -0.59 1.22 1.08 -1.02 -1.01 117.51 119.44 2wvx h ILE 373 Ca 0.24 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2wvx h ILE 373 Cb 0.31 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 2wvx h ILE 373 CO -0.01 0.14 0.31 0.78 -0.69 0.00 0.00 178.15 178.69 2wvx h ASN 374 N 0.76 0.72 -0.46 1.72 -0.26 -0.77 -0.28 115.58 117.02 2wvx h ASN 374 Ca 0.21 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2wvx h ASN 374 Cb -0.09 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 36.97 2wvx h ASN 374 CO -0.04 0.59 0.25 0.74 -1.06 0.00 0.00 177.43 177.91 2wvx h THR 375 N 0.82 1.16 -0.66 2.81 2.02 0.02 0.10 112.91 119.18 2wvx h THR 375 Ca 0.21 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 2wvx h THR 375 Cb 0.03 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2wvx h THR 375 CO -0.03 0.17 0.13 0.22 0.37 0.00 0.00 175.52 176.38 2wvx h TYR 376 N 0.61 1.11 -0.34 3.16 3.20 -0.87 -0.77 116.97 123.07 2wvx h TYR 376 Ca 0.16 -0.14 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 2wvx h TYR 376 Cb 0.05 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2wvx h TYR 376 CO -0.02 0.93 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.07 2wvx h LEU 377 N 1.00 0.74 0.00 2.82 3.38 -0.70 0.13 115.31 122.68 2wvx h LEU 377 Ca 0.20 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2wvx h LEU 377 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wvx h LEU 377 CO 0.01 0.99 -0.72 -0.33 0.09 0.00 0.00 178.44 178.47 2wvx h GLU 378 N 0.61 0.00 0.00 1.13 5.08 -0.75 -3.38 114.58 117.27 2wvx h GLU 378 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wvx h GLU 378 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wvx h GLU 378 CO 0.07 0.58 -0.17 -1.13 -1.00 0.00 0.00 179.01 177.35 2wvx n SER 379 N -3.21 0.84 0.00 1.42 3.41 -0.32 -4.53 113.62 111.24 2wvx n SER 379 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2wvx n SER 379 Cb 0.79 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 2wvx n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvx n GLY 380 N 0.98 2.32 3.12 5.00 0.00 0.03 -5.02 105.19 111.61 2wvx n GLY 380 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2wvx n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvx s PHE 381 N -2.31 0.97 0.44 1.61 0.40 -1.25 -4.97 117.98 112.88 2wvx s PHE 381 Ca 0.00 -0.48 -0.23 0.00 -0.60 0.00 0.00 56.93 55.62 2wvx s PHE 381 Cb 0.00 -0.56 -0.08 0.00 0.51 0.00 0.00 43.02 42.90 2wvx s PHE 381 CO 0.00 -0.01 1.16 -0.06 0.70 0.00 0.00 175.22 177.01 2wvx s PHE 382 N -1.32 2.94 0.70 0.36 0.08 -1.26 -3.43 117.98 116.05 2wvx s PHE 382 Ca -0.06 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.43 2wvx s PHE 382 Cb -0.10 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.00 2wvx s PHE 382 CO 0.01 -1.40 1.06 -1.25 -0.10 0.00 0.00 175.22 173.54 2wvx s PRO 383 N -2.62 2.89 0.04 0.24 0.04 -1.26 -4.55 135.00 129.78 2wvx s PRO 383 Ca 0.62 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 2wvx s PRO 383 Cb -0.28 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2wvx s PRO 383 CO 0.35 -1.13 -0.03 0.39 0.04 0.00 0.00 177.00 176.62 2wvx n GLU 384 N -3.15 0.05 -3.96 4.56 -0.58 -1.26 -4.56 120.64 111.74 2wvx n GLU 384 Ca 0.07 0.02 -0.35 0.00 -0.42 0.00 0.00 57.16 56.48 2wvx n GLU 384 Cb 0.54 -0.43 -0.12 0.00 -0.57 0.00 0.00 31.44 30.85 2wvx n GLU 384 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2wvx s TRP 385 N -1.72 3.06 -0.06 -0.32 0.52 -1.26 -1.26 118.94 117.90 2wvx s TRP 385 Ca -0.03 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.65 2wvx s TRP 385 Cb 0.00 -2.13 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 2wvx s TRP 385 CO 0.04 -0.28 -0.09 0.00 0.02 0.00 0.00 176.95 176.64 2wvx s ALA 386 N 1.19 1.09 -0.40 0.98 0.00 -1.10 -1.16 121.76 122.36 2wvx s ALA 386 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 2wvx s ALA 386 Cb -0.14 -0.56 0.19 0.00 0.00 0.00 0.00 23.12 22.61 2wvx s ALA 386 CO 0.02 0.02 0.87 0.45 0.00 0.00 0.00 175.76 177.11 2wvx s SER 387 N 0.85 -0.93 0.17 0.00 0.15 -1.26 -1.64 113.70 111.05 2wvx s SER 387 Ca -0.12 -0.74 0.13 0.00 0.70 0.00 0.00 55.95 55.93 2wvx s SER 387 Cb -0.15 1.20 -0.06 0.00 -1.71 0.00 0.00 66.02 65.29 2wvx s SER 387 CO 0.01 -0.07 1.20 1.55 1.20 0.00 0.00 173.24 177.14 2wvx h PRO 388 N 5.53 0.00 0.00 5.44 0.13 -1.78 -3.43 132.00 137.89 2wvx h PRO 388 Ca 0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 2wvx h PRO 388 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wvx h PRO 388 CO -0.01 0.56 0.03 0.41 -0.23 0.00 0.00 178.00 178.76 2wvx n GLY 389 N 1.32 0.13 3.72 1.56 0.00 0.54 -4.70 105.19 107.75 2wvx n GLY 389 Ca -0.03 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2wvx n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wvx s HIS 390 N -0.63 2.97 0.03 1.61 3.76 -1.26 -4.16 115.29 117.62 2wvx s HIS 390 Ca 0.10 0.47 0.06 0.00 -0.15 0.00 0.00 55.06 55.54 2wvx s HIS 390 Cb -0.00 -4.05 -0.02 0.00 1.11 0.00 0.00 32.58 29.62 2wvx s HIS 390 CO 0.07 -3.93 -0.18 1.03 -0.85 0.00 0.00 174.74 170.88 2wvx s ARG 391 N 1.15 1.28 -0.64 1.40 1.81 -0.31 -4.38 118.95 119.27 2wvx s ARG 391 Ca 0.73 -0.83 -0.24 0.00 -1.72 0.00 0.00 55.73 53.67 2wvx s ARG 391 Cb -0.47 -1.33 0.05 0.00 -0.45 0.00 0.00 34.95 32.75 2wvx s ARG 391 CO 0.32 0.34 1.02 0.20 -0.68 0.00 0.00 175.30 176.50 2wvx s GLY 392 N -1.01 1.29 -0.48 -3.53 0.00 -1.26 -4.46 107.32 97.88 2wvx s GLY 392 Ca 0.06 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.24 2wvx s GLY 392 CO 0.01 2.17 0.86 0.00 0.00 0.00 0.00 173.10 176.15 2wvx s VAL 395 N 0.76 1.86 0.00 0.00 -7.23 -1.26 -4.65 120.40 109.88 2wvx s VAL 395 Ca 0.30 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2wvx s VAL 395 Cb 0.11 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2wvx s VAL 395 CO -0.13 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2wvx n GLY 396 N -1.27 -0.44 2.20 2.32 0.00 -1.26 -4.67 105.19 102.06 2wvx n GLY 396 Ca -0.06 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 2wvx n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wvx n ASN 397 N -1.05 4.90 0.00 1.61 4.05 -1.26 -4.85 115.26 118.66 2wvx n ASN 397 Ca 0.00 -3.74 0.09 0.00 0.45 0.00 0.00 54.58 51.38 2wvx n ASN 397 Cb 0.00 -0.40 0.43 0.00 1.23 0.00 0.00 39.78 41.04 2wvx n ASN 397 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2wvx n ASN 398 N -0.63 0.00 -0.10 1.20 5.03 -1.26 -1.04 115.26 118.46 2wvx n ASN 398 Ca 0.42 0.34 0.26 0.00 0.87 0.00 0.00 54.58 56.47 2wvx n ASN 398 Cb 0.85 -0.43 0.72 0.00 -1.02 0.00 0.00 39.78 39.90 2wvx n ASN 398 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2wvx h SER 399 N 0.00 0.00 -0.61 6.41 4.64 -1.89 -0.62 113.55 121.48 2wvx h SER 399 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2wvx h SER 399 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2wvx h SER 399 CO 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.09 2wvx h ALA 400 N 1.57 0.81 -0.38 5.18 0.00 -1.45 -1.44 119.26 123.55 2wvx h ALA 400 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wvx h ALA 400 Cb 1.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2wvx h ALA 400 CO -0.00 0.54 0.19 1.03 0.00 0.00 0.00 179.25 181.00 2wvx h SER 401 N 0.90 0.49 0.25 0.00 0.87 -1.34 -1.88 113.55 112.85 2wvx h SER 401 Ca 0.19 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wvx h SER 401 Cb 0.39 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2wvx h SER 401 CO 0.01 0.47 -0.21 0.40 -0.53 0.00 0.00 176.83 176.97 2wvx h ILE 402 N 0.48 0.56 -0.34 2.23 1.08 -1.11 0.32 117.51 120.73 2wvx h ILE 402 Ca 0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 2wvx h ILE 402 Cb 0.10 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2wvx h ILE 402 CO -0.02 0.00 0.17 -0.07 -0.69 0.00 0.00 178.15 177.54 2wvx h LEU 403 N -0.47 0.45 -0.14 1.44 3.38 -1.26 -2.37 115.31 116.34 2wvx h LEU 403 Ca -0.01 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 2wvx h LEU 403 Cb 0.42 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wvx h LEU 403 CO -0.02 0.45 -0.52 0.58 0.09 0.00 0.00 178.44 179.02 2wvx h VAL 404 N 0.42 1.34 -0.80 1.22 2.07 -1.30 -2.34 116.25 116.86 2wvx h VAL 404 Ca 0.12 -1.80 0.03 0.00 0.82 0.00 0.00 66.70 65.87 2wvx h VAL 404 Cb 0.12 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 2wvx h VAL 404 CO -0.01 0.55 0.51 -0.78 0.02 0.00 0.00 177.57 177.85 2wvx h ASP 405 N 0.24 0.84 0.37 0.57 3.58 -0.92 -2.23 116.42 118.87 2wvx h ASP 405 Ca -0.03 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2wvx h ASP 405 Cb 1.15 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2wvx h ASP 405 CO 0.11 0.58 -0.19 0.00 -2.88 0.00 0.00 179.24 176.86 2wvx h ALA 406 N 1.34 -0.51 0.00 -0.78 0.00 -1.39 -2.01 119.26 115.91 2wvx h ALA 406 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wvx h ALA 406 Cb 0.02 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wvx h ALA 406 CO -0.12 -0.79 0.00 0.98 0.00 0.00 0.00 179.25 179.33 2wvx n TYR 407 N -5.32 0.00 0.00 0.00 4.19 -0.84 -0.59 117.16 114.60 2wvx n TYR 407 Ca -0.11 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.10 2wvx n TYR 407 Cb 0.23 -0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.02 2wvx n TYR 407 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2wvx n LYS 409 N 0.60 0.00 -0.75 2.98 5.02 -0.76 -4.03 118.16 121.23 2wvx n LYS 409 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wvx n LYS 409 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wvx n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvx n GLY 410 N 0.00 0.64 3.36 0.72 0.00 -0.91 -4.99 105.19 104.01 2wvx n GLY 410 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2wvx n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvx s VAL 411 N -2.07 5.20 -0.21 1.61 1.01 0.24 -5.02 120.40 121.16 2wvx s VAL 411 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 61.98 60.12 2wvx s VAL 411 Cb 0.00 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 2wvx s VAL 411 CO 0.00 -1.13 -0.08 -0.54 0.00 0.00 0.00 175.10 173.35 2wvx s LYS 412 N 1.44 3.28 0.72 2.72 1.02 -1.26 -2.92 119.74 124.74 2wvx s LYS 412 Ca 0.18 -0.68 -0.14 0.00 0.02 0.00 0.00 55.97 55.35 2wvx s LYS 412 Cb -0.15 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2wvx s LYS 412 CO -0.04 -0.20 1.13 0.14 -0.92 0.00 0.00 175.35 175.46 2wvx s VAL 413 N 1.43 2.92 0.26 3.17 -7.23 -1.26 -4.95 120.40 114.74 2wvx s VAL 413 Ca 0.06 0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 60.58 2wvx s VAL 413 Cb -0.14 -2.88 0.19 0.00 0.56 0.00 0.00 36.38 34.12 2wvx s VAL 413 CO -0.06 -0.30 1.85 0.44 -0.31 0.00 0.00 175.10 176.72 2wvx h ASP 414 N -0.44 0.97 -3.44 4.85 3.32 -1.98 -3.38 116.42 116.31 2wvx h ASP 414 Ca -0.46 -0.12 -0.69 0.00 0.02 0.00 0.00 57.03 55.79 2wvx h ASP 414 Cb 1.26 -0.25 -0.37 0.00 0.22 0.00 0.00 39.33 40.19 2wvx h ASP 414 CO 0.51 0.83 -0.24 -0.62 -1.72 0.00 0.00 179.24 178.00 2wvx s ASP 415 N -6.40 5.62 0.32 6.45 -1.08 -1.26 -4.89 116.67 115.42 2wvx s ASP 415 Ca -0.11 -3.61 0.02 0.00 -0.52 0.00 0.00 52.55 48.32 2wvx s ASP 415 Cb 0.16 -1.84 0.52 0.00 -1.46 0.00 0.00 42.92 40.30 2wvx s ASP 415 CO 0.81 -0.19 1.88 0.40 0.52 0.00 0.00 175.17 178.59 2wvx h ILE 416 N 4.34 1.20 -0.39 4.11 2.04 -1.99 -2.34 117.51 124.48 2wvx h ILE 416 Ca 0.13 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2wvx h ILE 416 Cb 0.82 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2wvx h ILE 416 CO 0.80 0.26 0.19 0.50 0.00 0.00 0.00 178.15 179.91 2wvx h LYS 417 N 0.68 0.55 -0.61 2.37 3.64 -1.97 -1.18 116.57 120.05 2wvx h LYS 417 Ca 0.16 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2wvx h LYS 417 Cb 0.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2wvx h LYS 417 CO -0.00 0.48 0.21 1.15 -2.27 0.00 0.00 179.45 179.02 2wvx h THR 418 N 0.49 1.24 -0.29 1.00 2.02 -1.93 -1.34 112.91 114.09 2wvx h THR 418 Ca 0.13 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.54 2wvx h THR 418 Cb 0.11 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2wvx h THR 418 CO -0.02 0.31 0.10 0.25 0.37 0.00 0.00 175.52 176.53 2wvx h LEU 419 N 0.87 0.11 -0.38 2.58 7.12 -1.15 1.00 115.31 125.45 2wvx h LEU 419 Ca 0.20 0.03 -0.07 0.00 0.13 0.00 0.00 57.88 58.17 2wvx h LEU 419 Cb 0.26 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 2wvx h LEU 419 CO -0.01 0.10 -0.02 0.22 -0.13 0.00 0.00 178.44 178.61 2wvx h TYR 420 N 0.23 0.75 -0.85 1.25 3.20 -0.95 -2.16 116.97 118.44 2wvx h TYR 420 Ca 0.13 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2wvx h TYR 420 Cb 0.10 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 2wvx h TYR 420 CO -0.13 0.78 0.55 0.93 -1.64 0.00 0.00 178.16 178.65 2wvx h GLU 421 N 0.50 1.03 -0.65 1.82 5.08 -0.81 -0.90 114.58 120.65 2wvx h GLU 421 Ca 0.11 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wvx h GLU 421 Cb 0.49 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2wvx h GLU 421 CO 0.02 0.68 0.40 0.78 -1.00 0.00 0.00 179.01 179.89 2wvx h GLY 422 N 1.06 0.94 0.90 -3.84 0.00 -0.55 0.19 103.07 101.77 2wvx h GLY 422 Ca 0.34 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2wvx h GLY 422 CO -0.12 0.24 0.06 1.41 0.00 0.00 0.00 176.54 178.13 2wvx h LEU 423 N 0.77 0.16 -0.49 3.11 3.38 -0.70 -1.96 115.31 119.58 2wvx h LEU 423 Ca 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2wvx h LEU 423 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2wvx h LEU 423 CO -0.12 0.24 0.19 0.40 0.09 0.00 0.00 178.44 179.24 2wvx h ILE 424 N 0.07 1.21 -1.00 1.22 1.08 -0.94 -2.14 117.51 117.01 2wvx h ILE 424 Ca 0.04 -0.66 0.20 0.00 -0.39 0.00 0.00 64.86 64.06 2wvx h ILE 424 Cb 0.12 0.73 -0.11 0.00 -3.07 0.00 0.00 36.82 34.49 2wvx h ILE 424 CO -0.01 0.25 0.61 -0.74 -0.69 0.00 0.00 178.15 177.57 2wvx h HIS 425 N 0.65 1.06 0.00 1.37 -0.00 -0.39 -0.51 115.15 117.32 2wvx h HIS 425 Ca 0.16 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 2wvx h HIS 425 Cb 0.20 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 2wvx h HIS 425 CO 0.00 0.20 0.00 0.78 -0.00 0.00 0.00 177.93 178.91 2wvx h GLY 426 N 0.72 0.00 1.84 5.26 0.00 -0.67 -2.98 103.07 107.25 2wvx h GLY 426 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2wvx h GLY 426 CO -0.40 0.00 -0.10 -1.30 0.00 0.00 0.00 176.54 174.74 2wvx n THR 427 N -2.68 0.34 -2.34 4.70 -2.24 -0.20 -3.39 114.28 108.47 2wvx n THR 427 Ca 0.03 -0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2wvx n THR 427 Cb 0.35 -0.46 0.06 0.00 -2.10 0.00 0.00 70.33 68.18 2wvx n THR 427 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wvx n GLU 428 N -1.96 0.37 -3.76 -0.78 0.28 -1.15 -4.90 120.64 108.73 2wvx n GLU 428 Ca 0.06 -2.30 -0.13 0.00 -0.16 0.00 0.00 57.16 54.63 2wvx n GLU 428 Cb 0.40 -0.36 -0.09 0.00 1.43 0.00 0.00 31.44 32.82 2wvx n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2wvx s ASN 429 N -2.29 -0.21 0.00 -1.84 0.01 -1.14 -5.05 114.94 104.42 2wvx s ASN 429 Ca 0.35 0.18 0.06 0.00 -0.71 0.00 0.00 52.86 52.74 2wvx s ASN 429 Cb 0.38 0.38 -0.02 0.00 0.41 0.00 0.00 41.25 42.40 2wvx s ASN 429 CO -0.15 -0.39 -0.20 0.54 -1.51 0.00 0.00 177.10 175.40 2wvx s VAL 430 N -1.06 1.60 0.25 1.60 0.11 -1.26 -0.66 120.40 120.98 2wvx s VAL 430 Ca -0.11 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 57.69 2wvx s VAL 430 Cb -0.05 -1.35 -0.11 0.00 -1.53 0.00 0.00 36.38 33.35 2wvx s VAL 430 CO 0.03 0.38 1.56 -2.28 -3.33 0.00 0.00 175.10 171.46 2wvx s HIS 431 N -0.56 2.90 0.46 1.54 2.46 0.29 -4.89 115.29 117.49 2wvx s HIS 431 Ca 0.08 0.78 0.30 0.00 0.47 0.00 0.00 55.06 56.69 2wvx s HIS 431 Cb -0.08 -3.98 1.64 0.00 -0.13 0.00 0.00 32.58 30.03 2wvx s HIS 431 CO -0.00 -3.38 2.14 -1.00 -2.47 0.00 0.00 174.74 170.03 2wvx h PRO 432 N 5.43 0.00 -0.00 2.88 0.13 -2.00 -3.19 132.00 135.25 2wvx h PRO 432 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wvx h PRO 432 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wvx h PRO 432 CO 0.83 0.07 -0.04 0.39 -0.23 0.00 0.00 178.00 179.02 2wvx n GLU 433 N -3.57 6.21 -3.76 0.86 4.71 -1.26 -4.93 120.64 118.91 2wvx n GLU 433 Ca -0.02 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.16 56.80 2wvx n GLU 433 Cb 0.19 -0.58 -0.15 0.00 -1.01 0.00 0.00 31.44 29.89 2wvx n GLU 433 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2wvx s VAL 434 N -1.03 0.89 -0.38 2.62 1.01 -1.20 -4.95 120.40 117.35 2wvx s VAL 434 Ca 0.00 -1.21 0.26 0.00 0.00 0.00 0.00 61.98 61.04 2wvx s VAL 434 Cb 0.01 -1.56 0.29 0.00 0.00 0.00 0.00 36.38 35.12 2wvx s VAL 434 CO 0.04 -0.51 1.78 0.77 0.00 0.00 0.00 175.10 177.17 2wvx h SER 435 N 8.10 0.00 -0.06 3.32 4.64 -1.92 -1.95 113.55 125.69 2wvx h SER 435 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2wvx h SER 435 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2wvx h SER 435 CO 0.44 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.86 2wvx n SER 436 N -2.47 1.37 -4.62 4.97 3.41 -1.26 -3.97 113.62 111.04 2wvx n SER 436 Ca 0.02 -1.52 -0.34 0.00 -0.26 0.00 0.00 58.87 56.77 2wvx n SER 436 Cb 0.29 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 2wvx n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wvx s THR 437 N -1.94 4.63 0.00 6.66 2.01 -0.73 -4.61 115.64 121.66 2wvx s THR 437 Ca 0.37 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2wvx s THR 437 Cb 0.20 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2wvx s THR 437 CO 0.31 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.33 2wvx n GLY 438 N 3.38 -1.06 3.05 4.40 0.00 -1.26 -0.54 105.19 113.15 2wvx n GLY 438 Ca -0.17 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2wvx n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvx s ARG 439 N 0.00 1.85 0.22 1.61 0.52 0.17 -4.77 118.95 118.55 2wvx s ARG 439 Ca 0.00 -2.07 -0.31 0.00 -0.52 0.00 0.00 55.73 52.83 2wvx s ARG 439 Cb 0.00 -3.41 -0.11 0.00 0.52 0.00 0.00 34.95 31.96 2wvx s ARG 439 CO 0.00 -1.04 1.58 -1.17 0.02 0.00 0.00 175.30 174.69 2wvx s LEU 440 N 0.66 4.37 0.00 2.53 2.96 -1.25 -2.36 118.68 125.58 2wvx s LEU 440 Ca 0.12 2.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 2wvx s LEU 440 Cb -0.21 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.87 2wvx s LEU 440 CO -0.05 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 174.74 2wvx n GLY 441 N 3.17 0.71 0.31 7.98 0.00 -1.26 -4.96 105.19 111.15 2wvx n GLY 441 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2wvx n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wvx h TYR 442 N 0.00 0.00 -0.05 1.61 -0.00 -1.81 -1.64 116.97 115.08 2wvx h TYR 442 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2wvx h TYR 442 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2wvx h TYR 442 CO 0.00 0.00 0.03 0.93 -0.00 0.00 0.00 178.16 179.12 2wvx h GLU 443 N 0.00 0.07 -0.47 0.10 3.07 -1.92 -0.11 114.58 115.32 2wvx h GLU 443 Ca 0.09 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 2wvx h GLU 443 Cb 0.37 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2wvx h GLU 443 CO -0.00 0.12 0.01 1.88 -1.40 0.00 0.00 179.01 179.62 2wvx h TYR 444 N -0.01 0.90 -0.42 4.33 0.05 -1.67 -2.70 116.97 117.47 2wvx h TYR 444 Ca 0.02 -0.15 -0.04 0.00 0.05 0.00 0.00 58.73 58.60 2wvx h TYR 444 Cb 0.07 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2wvx h TYR 444 CO -0.05 0.86 0.10 -0.92 -1.05 0.00 0.00 178.16 177.10 2wvx h TYR 445 N 0.69 0.71 -0.11 4.88 3.20 -1.17 0.50 116.97 125.66 2wvx h TYR 445 Ca 0.14 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2wvx h TYR 445 Cb 0.50 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2wvx h TYR 445 CO 0.04 0.67 -0.34 -0.91 -1.64 0.00 0.00 178.16 175.98 2wvx h ASN 446 N 0.54 0.21 0.13 -2.11 -0.26 -1.04 0.20 115.58 113.25 2wvx h ASN 446 Ca 0.13 -0.08 -0.31 0.00 -0.56 0.00 0.00 56.30 55.49 2wvx h ASN 446 Cb 0.32 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2wvx h ASN 446 CO 0.00 0.55 -1.59 0.50 -1.06 0.00 0.00 177.43 175.83 2wvx h LYS 447 N 0.18 0.28 0.00 0.81 3.64 -1.19 -3.41 116.57 116.88 2wvx h LYS 447 Ca 0.02 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2wvx h LYS 447 Cb 0.69 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2wvx h LYS 447 CO 0.05 1.23 -1.64 1.28 -2.27 0.00 0.00 179.45 178.11 2wvx n LEU 448 N -3.78 0.09 0.00 5.20 4.77 0.17 -4.98 117.00 118.47 2wvx n LEU 448 Ca -0.26 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2wvx n LEU 448 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2wvx n LEU 448 CO 0.44 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2wvx n GLY 449 N 1.54 0.75 3.51 -0.72 0.00 0.06 -5.03 105.19 105.29 2wvx n GLY 449 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2wvx n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvx s TYR 450 N -2.15 -0.44 -0.28 1.61 1.13 -1.24 -4.77 117.35 111.22 2wvx s TYR 450 Ca 0.00 0.47 -0.22 0.00 -1.41 0.00 0.00 57.07 55.91 2wvx s TYR 450 Cb 0.00 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.36 2wvx s TYR 450 CO 0.00 -0.57 0.72 0.08 -2.51 0.00 0.00 175.55 173.27 2wvx s VAL 451 N -2.51 4.88 0.83 -3.49 1.01 -1.26 -3.29 120.40 116.58 2wvx s VAL 451 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 2wvx s VAL 451 Cb -0.01 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2wvx s VAL 451 CO -0.04 -0.11 1.10 -2.84 0.00 0.00 0.00 175.10 173.21 2wvx s PRO 452 N 2.74 1.78 0.31 2.72 0.02 -1.26 -4.52 135.00 136.79 2wvx s PRO 452 Ca 0.30 1.23 0.24 0.00 0.02 0.00 0.00 61.00 62.79 2wvx s PRO 452 Cb -0.15 -1.84 0.50 0.00 0.02 0.00 0.00 34.50 33.03 2wvx s PRO 452 CO 0.10 -1.99 1.61 -0.92 -0.33 0.00 0.00 177.00 175.47 2wvx h TYR 453 N -1.39 0.00 -0.47 6.54 5.03 -1.00 -3.38 116.97 122.30 2wvx h TYR 453 Ca -0.44 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 60.52 2wvx h TYR 453 Cb 1.25 0.00 -0.33 0.00 1.55 0.00 0.00 36.73 39.20 2wvx h TYR 453 CO 0.54 0.00 -0.82 -0.40 -1.32 0.00 0.00 178.16 176.16 2wvx n ASP 454 N -2.68 3.33 -0.65 -2.11 5.75 -1.26 -4.70 116.55 114.23 2wvx n ASP 454 Ca 0.04 -3.36 0.06 0.00 -0.01 0.00 0.00 54.79 51.52 2wvx n ASP 454 Cb 0.49 -0.40 0.13 0.00 -1.03 0.00 0.00 41.12 40.30 2wvx n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2wvx n VAL 455 N -0.69 1.37 -2.40 2.12 0.24 -1.26 -4.88 118.33 112.83 2wvx n VAL 455 Ca 0.29 -2.11 -0.19 0.00 -2.04 0.00 0.00 64.34 60.29 2wvx n VAL 455 Cb 0.89 0.12 -0.01 0.00 -1.47 0.00 0.00 33.84 33.38 2wvx n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wvx n LYS 456 N -0.71 -1.69 -3.97 7.34 4.01 -1.26 -4.98 118.16 116.90 2wvx n LYS 456 Ca 0.13 0.90 -0.32 0.00 -0.51 0.00 0.00 58.31 58.51 2wvx n LYS 456 Cb 0.78 -5.45 -0.14 0.00 -0.51 0.00 0.00 35.03 29.71 2wvx n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2wvx s ILE 457 N -2.95 2.51 0.89 -0.18 1.01 -1.26 -5.12 121.20 116.11 2wvx s ILE 457 Ca 0.02 -2.09 -0.12 0.00 0.00 0.00 0.00 60.65 58.46 2wvx s ILE 457 Cb -0.01 -2.73 0.13 0.00 0.01 0.00 0.00 42.46 39.86 2wvx s ILE 457 CO 0.02 -0.48 1.10 0.20 0.00 0.00 0.00 174.94 175.79 2wvx s ASN 458 N 1.14 3.58 -1.93 3.58 0.01 -1.26 -3.49 114.94 116.57 2wvx s ASN 458 Ca 0.06 1.27 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 2wvx s ASN 458 Cb -0.20 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.51 2wvx s ASN 458 CO -0.06 -2.54 0.00 -0.62 -1.51 0.00 0.00 177.10 172.37 2wvx n GLU 459 N -3.80 -1.61 -0.30 -0.60 4.71 0.27 -4.90 120.64 114.42 2wvx n GLU 459 Ca 0.07 1.08 -0.00 0.00 -0.01 0.00 0.00 57.16 58.30 2wvx n GLU 459 Cb 0.57 -5.64 0.18 0.00 -1.01 0.00 0.00 31.44 25.54 2wvx n GLU 459 CO 0.00 0.00 0.00 -2.95 0.09 0.00 0.00 177.13 174.27 2wvx h ASN 460 N 0.00 1.01 -0.14 1.62 -1.07 -1.52 -0.41 115.58 115.07 2wvx h ASN 460 Ca -0.46 -0.02 -0.11 0.00 0.07 0.00 0.00 56.30 55.77 2wvx h ASN 460 Cb 1.35 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 2wvx h ASN 460 CO 0.59 0.72 -0.34 0.00 0.07 0.00 0.00 177.43 178.47 2wvx h ALA 461 N 1.45 0.23 -0.60 4.14 0.00 -1.07 -1.88 119.26 121.54 2wvx h ALA 461 Ca 0.33 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wvx h ALA 461 Cb -0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2wvx h ALA 461 CO -0.08 0.29 0.34 0.00 0.00 0.00 0.00 179.25 179.80 2wvx h ALA 462 N 0.54 0.78 -0.49 0.00 0.00 -1.16 -1.40 119.26 117.53 2wvx h ALA 462 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wvx h ALA 462 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2wvx h ALA 462 CO 0.07 0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.67 2wvx h ARG 463 N 0.65 0.67 -0.57 0.00 3.08 -1.03 -1.79 114.38 115.40 2wvx h ARG 463 Ca 0.25 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2wvx h ARG 463 Cb 0.10 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2wvx h ARG 463 CO -0.14 0.47 0.36 1.15 -1.07 0.00 0.00 179.97 180.74 2wvx h THR 464 N 0.66 1.16 -0.22 2.04 2.02 -0.89 -0.18 112.91 117.49 2wvx h THR 464 Ca 0.18 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2wvx h THR 464 Cb -0.03 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2wvx h THR 464 CO -0.03 0.16 0.00 -0.07 0.37 0.00 0.00 175.52 175.94 2wvx h LEU 465 N 0.77 0.39 -0.80 2.58 3.38 -1.04 -1.73 115.31 118.85 2wvx h LEU 465 Ca 0.21 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2wvx h LEU 465 Cb -0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2wvx h LEU 465 CO -0.04 0.60 0.09 -0.33 0.09 0.00 0.00 178.44 178.85 2wvx h GLU 466 N 0.16 1.00 -0.87 1.13 5.08 -1.20 -2.66 114.58 117.21 2wvx h GLU 466 Ca 0.06 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2wvx h GLU 466 Cb 0.40 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2wvx h GLU 466 CO 0.01 0.93 0.57 1.88 -1.00 0.00 0.00 179.01 181.40 2wvx h TYR 467 N 0.94 1.07 -0.13 4.33 0.05 -0.88 0.39 116.97 122.74 2wvx h TYR 467 Ca 0.19 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 2wvx h TYR 467 Cb 0.42 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2wvx h TYR 467 CO 0.03 0.64 0.07 0.00 -1.05 0.00 0.00 178.16 177.85 2wvx h ALA 468 N 1.35 0.17 -0.36 3.88 0.00 -1.08 0.37 119.26 123.58 2wvx h ALA 468 Ca 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2wvx h ALA 468 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wvx h ALA 468 CO -0.10 -0.29 0.17 -0.92 0.00 0.00 0.00 179.25 178.11 2wvx h TYR 469 N 0.11 0.32 -0.97 0.00 3.20 -1.25 -0.96 116.97 117.42 2wvx h TYR 469 Ca 0.05 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.01 2wvx h TYR 469 Cb 0.08 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 2wvx h TYR 469 CO -0.04 0.16 0.63 -0.44 -1.64 0.00 0.00 178.16 176.83 2wvx h ASP 470 N 0.36 0.97 0.22 -2.11 3.32 0.54 -1.46 116.42 118.26 2wvx h ASP 470 Ca 0.15 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 2wvx h ASP 470 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2wvx h ASP 470 CO -0.11 0.61 -0.53 0.44 -1.72 0.00 0.00 179.24 177.92 2wvx h ASP 471 N 1.09 0.37 -0.94 6.45 3.32 0.02 -1.43 116.42 125.30 2wvx h ASP 471 Ca 0.43 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.34 2wvx h ASP 471 Cb 0.24 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 2wvx h ASP 471 CO -0.18 0.83 0.61 -0.25 -1.72 0.00 0.00 179.24 178.53 2wvx h TRP 472 N 0.27 1.13 -0.41 4.55 7.01 -0.41 0.11 115.95 128.19 2wvx h TRP 472 Ca 0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2wvx h TRP 472 Cb 1.01 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 2wvx h TRP 472 CO 0.03 0.63 0.19 0.00 -2.79 0.00 0.00 178.44 176.49 2wvx h ILE 474 N 0.52 1.21 -0.82 0.00 2.04 -1.02 -1.89 117.51 117.55 2wvx h ILE 474 Ca 0.14 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2wvx h ILE 474 Cb 0.13 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 2wvx h ILE 474 CO -0.02 0.23 0.45 0.22 0.00 0.00 0.00 178.15 179.03 2wvx h TYR 475 N 0.84 0.82 -0.40 1.37 5.03 -0.37 0.14 116.97 124.39 2wvx h TYR 475 Ca 0.22 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.56 2wvx h TYR 475 Cb 0.07 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 2wvx h TYR 475 CO -0.01 0.30 0.26 0.00 -1.32 0.00 0.00 178.16 177.39 2wvx h ARG 476 N 0.74 0.53 -0.23 1.82 2.47 -0.55 -1.13 114.38 118.03 2wvx h ARG 476 Ca 0.40 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.90 2wvx h ARG 476 Cb 0.42 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2wvx h ARG 476 CO -0.27 0.37 -0.58 1.25 0.56 0.00 0.00 179.97 181.30 2wvx h LEU 477 N 0.53 0.91 -0.94 3.04 5.85 -0.66 -1.62 115.31 122.42 2wvx h LEU 477 Ca 0.15 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2wvx h LEU 477 Cb -0.04 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 2wvx h LEU 477 CO -0.03 1.31 0.59 0.00 -0.34 0.00 0.00 178.44 179.97 2wvx h ALA 478 N 0.62 1.19 -0.29 1.25 0.00 -0.60 0.16 119.26 121.60 2wvx h ALA 478 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wvx h ALA 478 Cb 1.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wvx h ALA 478 CO 0.13 0.63 0.07 -0.22 0.00 0.00 0.00 179.25 179.85 2wvx h LYS 479 N 1.29 0.47 -0.50 0.00 3.64 -1.16 -0.92 116.57 119.39 2wvx h LYS 479 Ca 0.34 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2wvx h LYS 479 Cb -0.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2wvx h LYS 479 CO -0.07 0.56 0.18 1.49 -2.27 0.00 0.00 179.45 179.34 2wvx h GLU 480 N 0.31 0.72 -0.05 1.90 4.57 -0.78 -2.07 114.58 119.18 2wvx h GLU 480 Ca 0.09 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2wvx h GLU 480 Cb 0.30 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2wvx h GLU 480 CO 0.00 0.61 0.00 1.28 -1.18 0.00 0.00 179.01 179.72 2wvx n LEU 481 N -4.34 0.91 -3.42 1.64 4.32 0.53 -4.92 117.00 111.72 2wvx n LEU 481 Ca 0.04 -0.34 -0.23 0.00 -0.02 0.00 0.00 56.01 55.46 2wvx n LEU 481 Cb 0.17 -0.03 0.07 0.00 -1.62 0.00 0.00 43.42 42.01 2wvx n LEU 481 CO 0.38 0.17 0.23 2.29 -1.22 0.00 0.00 177.39 179.24 2wvx n LYS 482 N -0.23 -7.49 -1.17 3.23 2.85 -0.78 -5.00 118.16 109.56 2wvx n LYS 482 Ca 0.18 0.79 -0.30 0.00 -1.05 0.00 0.00 58.31 57.93 2wvx n LYS 482 Cb 0.23 -5.71 0.14 0.00 -0.65 0.00 0.00 35.03 29.04 2wvx n LYS 482 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2wvx s ARG 483 N -6.23 1.33 0.44 -1.58 1.81 -0.38 -4.95 118.95 109.39 2wvx s ARG 483 Ca 0.55 0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 55.25 2wvx s ARG 483 Cb -0.24 -1.81 -0.11 0.00 -0.45 0.00 0.00 34.95 32.34 2wvx s ARG 483 CO 0.68 -2.22 0.76 -2.30 -0.68 0.00 0.00 175.30 171.55 2wvx n PRO 484 N -3.88 0.90 0.27 3.54 -0.02 -1.26 -4.76 135.00 129.78 2wvx n PRO 484 Ca 0.07 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2wvx n PRO 484 Cb 0.55 -1.77 0.76 0.00 -0.02 0.00 0.00 33.50 33.01 2wvx n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2wvx h LYS 485 N 1.06 0.00 -0.40 -0.52 -0.00 -1.98 -2.10 116.57 112.63 2wvx h LYS 485 Ca -0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.19 2wvx h LYS 485 Cb 1.37 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.59 2wvx h LYS 485 CO 0.53 0.07 0.12 1.57 -0.00 0.00 0.00 179.45 181.75 2wvx h LYS 486 N 0.00 0.62 -0.07 0.07 5.09 -1.99 -0.27 116.57 120.02 2wvx h LYS 486 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 60.65 60.60 2wvx h LYS 486 Cb 0.17 -0.09 -0.00 0.00 0.10 0.00 0.00 32.23 32.41 2wvx h LYS 486 CO 0.01 0.63 0.02 0.93 -2.09 0.00 0.00 179.45 178.95 2wvx h GLU 487 N 0.50 0.11 -0.71 0.07 5.08 -1.74 -2.05 114.58 115.84 2wvx h GLU 487 Ca 0.13 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2wvx h GLU 487 Cb 0.27 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2wvx h GLU 487 CO -0.00 0.28 0.36 0.82 -1.00 0.00 0.00 179.01 179.47 2wvx h ILE 488 N -0.08 0.87 -0.47 3.13 2.04 -1.41 -2.46 117.51 119.13 2wvx h ILE 488 Ca 0.02 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2wvx h ILE 488 Cb 0.22 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2wvx h ILE 488 CO -0.00 0.11 -0.07 0.28 0.00 0.00 0.00 178.15 178.48 2wvx h SER 489 N 0.62 0.79 0.15 1.72 0.02 -0.94 -1.00 113.55 114.92 2wvx h SER 489 Ca 0.34 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2wvx h SER 489 Cb 0.34 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2wvx h SER 489 CO -0.26 0.90 -0.16 0.25 -1.14 0.00 0.00 176.83 176.42 2wvx h LEU 490 N 0.74 -0.44 -0.72 5.07 5.85 -0.95 -1.01 115.31 123.86 2wvx h LEU 490 Ca 0.13 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 2wvx h LEU 490 Cb 0.54 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2wvx h LEU 490 CO 0.03 -0.25 -0.64 -0.26 -0.34 0.00 0.00 178.44 176.99 2wvx h PHE 491 N -0.35 0.02 -0.42 1.25 0.04 -1.40 -0.36 116.94 115.71 2wvx h PHE 491 Ca 0.01 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2wvx h PHE 491 Cb 0.34 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2wvx h PHE 491 CO -0.14 0.65 0.02 0.00 -0.60 0.00 0.00 178.31 178.24 2wvx h ALA 492 N 1.35 1.25 -0.13 2.45 0.00 -1.03 -1.07 119.26 122.08 2wvx h ALA 492 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2wvx h ALA 492 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2wvx h ALA 492 CO 0.08 0.50 -0.40 -0.22 0.00 0.00 0.00 179.25 179.22 2wvx h LYS 493 N 0.64 0.50 -0.17 0.00 3.64 -0.74 -3.21 116.57 117.23 2wvx h LYS 493 Ca 0.13 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 2wvx h LYS 493 Cb 0.36 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2wvx h LYS 493 CO 0.01 0.99 -0.04 0.00 -2.27 0.00 0.00 179.45 178.14 2wvx h ARG 494 N 0.11 0.25 -2.05 1.90 3.08 -0.89 -3.31 114.38 113.46 2wvx h ARG 494 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2wvx h ARG 494 Cb 1.02 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2wvx h ARG 494 CO 0.09 0.31 0.02 0.00 -1.07 0.00 0.00 179.97 179.32 2wvx n ALA 495 N -2.50 1.20 0.00 0.04 0.00 -0.42 -4.55 120.51 114.27 2wvx n ALA 495 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wvx n ALA 495 Cb 0.20 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2wvx n ALA 495 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wvx n ASN 497 N 1.86 0.00 0.04 0.00 3.02 -1.25 -4.66 115.26 114.27 2wvx n ASN 497 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.74 2wvx n ASN 497 Cb 0.00 -0.05 0.70 0.00 -0.61 0.00 0.00 39.78 39.82 2wvx n ASN 497 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wvx h TYR 498 N 0.00 0.00 0.00 3.10 -0.00 -1.85 -1.25 116.97 116.98 2wvx h TYR 498 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2wvx h TYR 498 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2wvx h TYR 498 CO 0.00 0.00 -0.13 0.87 -0.00 0.00 0.00 178.16 178.90 2wvx h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.94 -2.97 116.57 113.33 2wvx h LYS 499 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2wvx h LYS 499 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2wvx h LYS 499 CO -0.00 0.13 0.00 -0.91 -0.57 0.00 0.00 179.45 178.10 2wvx h ASN 500 N 0.00 0.00 -0.32 0.86 2.35 -1.52 -2.24 115.58 114.70 2wvx h ASN 500 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wvx h ASN 500 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2wvx h ASN 500 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 2wvx n LEU 501 N -2.46 3.07 -4.66 1.61 4.77 -1.12 -4.97 117.00 113.25 2wvx n LEU 501 Ca 0.01 -2.18 -0.41 0.00 -0.03 0.00 0.00 56.01 53.39 2wvx n LEU 501 Cb 0.18 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2wvx n LEU 501 CO 0.18 0.72 0.61 0.12 -1.33 0.00 0.00 177.39 177.70 2wvx s PHE 502 N -1.32 3.37 -0.51 -1.77 5.36 -0.85 -0.89 117.98 121.38 2wvx s PHE 502 Ca 0.26 1.18 -0.17 0.00 -0.96 0.00 0.00 56.93 57.24 2wvx s PHE 502 Cb 0.16 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.90 2wvx s PHE 502 CO 0.14 -0.31 0.54 0.34 -1.46 0.00 0.00 175.22 174.47 2wvx s ASP 503 N 1.24 6.19 0.55 6.13 2.15 -0.13 -4.94 116.67 127.85 2wvx s ASP 503 Ca 0.36 -1.23 0.22 0.00 0.43 0.00 0.00 52.55 52.33 2wvx s ASP 503 Cb -0.16 -2.24 1.49 0.00 -0.30 0.00 0.00 42.92 41.71 2wvx s ASP 503 CO 0.10 -0.83 2.19 0.07 -0.17 0.00 0.00 175.17 176.54 2wvx h LYS 504 N 8.92 0.00 -0.36 4.34 2.10 -1.93 0.43 116.57 130.06 2wvx h LYS 504 Ca -0.28 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.33 2wvx h LYS 504 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2wvx h LYS 504 CO 0.96 0.00 0.07 1.05 -2.00 0.00 0.00 179.45 179.53 2wvx h GLU 505 N 0.00 0.59 0.00 0.07 9.09 -1.95 -3.25 114.58 119.13 2wvx h GLU 505 Ca -0.00 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 59.26 2wvx h GLU 505 Cb 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 2wvx h GLU 505 CO 0.00 0.64 -1.12 -1.13 0.05 0.00 0.00 179.01 177.45 2wvx n SER 506 N -4.59 0.66 -1.85 3.06 3.41 -0.88 -4.96 113.62 108.47 2wvx n SER 506 Ca -0.01 -0.49 -0.19 0.00 -0.26 0.00 0.00 58.87 57.91 2wvx n SER 506 Cb 0.21 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.13 2wvx n SER 506 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wvx n LYS 507 N -1.79 -1.44 0.00 4.33 5.02 0.14 -5.06 118.16 119.37 2wvx n LYS 507 Ca 0.02 1.05 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 2wvx n LYS 507 Cb 0.41 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 2wvx n LYS 507 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wvx n LEU 508 N -2.49 0.00 0.00 -0.35 4.77 -1.18 -4.92 117.00 112.83 2wvx n LEU 508 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2wvx n LEU 508 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2wvx n LEU 508 CO 0.28 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.20 2wvx n ARG 510 N 0.00 0.00 -1.69 3.23 0.63 -0.07 -0.95 116.66 117.81 2wvx n ARG 510 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 2wvx n ARG 510 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 2wvx n ARG 510 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wvx n GLY 511 N -0.37 0.32 2.88 5.14 0.00 -1.26 -4.74 105.19 107.15 2wvx n GLY 511 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2wvx n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wvx s ARG 512 N -2.72 0.91 0.96 1.61 3.52 -1.26 -1.43 118.95 120.53 2wvx s ARG 512 Ca 0.72 -0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 56.10 2wvx s ARG 512 Cb -0.44 -0.96 0.16 0.00 -1.56 0.00 0.00 34.95 32.15 2wvx s ARG 512 CO 0.50 -0.13 1.09 -0.80 -0.81 0.00 0.00 175.30 175.15 2wvx s ASN 513 N 1.16 2.79 0.42 -2.12 0.01 0.88 -0.36 114.94 117.71 2wvx s ASN 513 Ca -0.07 1.73 0.09 0.00 -0.71 0.00 0.00 52.86 53.91 2wvx s ASN 513 Cb -0.14 -2.35 0.89 0.00 0.41 0.00 0.00 41.25 40.05 2wvx s ASN 513 CO -0.01 -3.10 2.01 -0.08 -1.51 0.00 0.00 177.10 174.40 2wvx h GLU 514 N -1.87 0.33 -0.00 -0.60 4.81 -1.90 -1.22 114.58 114.13 2wvx h GLU 514 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2wvx h GLU 514 Cb 1.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2wvx h GLU 514 CO 0.49 0.32 0.00 -0.40 -0.73 0.00 0.00 179.01 178.69 2wvx n ASP 515 N -4.40 0.00 0.00 1.04 5.75 -1.26 -4.88 116.55 112.80 2wvx n ASP 515 Ca 0.00 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 2wvx n ASP 515 Cb 0.16 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2wvx n ASP 515 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wvx n GLY 516 N 1.00 1.56 3.82 6.12 0.00 -0.46 -5.06 105.19 112.16 2wvx n GLY 516 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2wvx n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvx s THR 517 N -2.44 4.14 0.39 2.61 -4.23 -1.26 -4.79 115.64 110.07 2wvx s THR 517 Ca 0.00 1.18 -0.23 0.00 -1.18 0.00 0.00 61.69 61.46 2wvx s THR 517 Cb 0.00 -3.55 -0.10 0.00 1.34 0.00 0.00 72.50 70.19 2wvx s THR 517 CO 0.00 -0.44 0.96 -0.36 -0.54 0.00 0.00 174.62 174.24 2wvx s PHE 518 N -2.31 3.42 0.35 3.99 0.08 -1.26 -0.08 117.98 122.16 2wvx s PHE 518 Ca 0.63 1.67 -0.27 0.00 0.12 0.00 0.00 56.93 59.08 2wvx s PHE 518 Cb -0.13 -2.91 -0.09 0.00 -0.57 0.00 0.00 43.02 39.32 2wvx s PHE 518 CO 0.25 -0.08 1.17 1.14 -0.10 0.00 0.00 175.22 177.60 2wvx s GLN 519 N -2.76 4.32 0.04 0.44 1.03 -0.51 -4.77 119.66 117.45 2wvx s GLN 519 Ca 0.58 1.89 0.02 0.00 0.04 0.00 0.00 55.36 57.90 2wvx s GLN 519 Cb -0.14 -2.92 -0.02 0.00 0.03 0.00 0.00 33.01 29.96 2wvx s GLN 519 CO 0.18 -0.10 -0.08 -1.12 -2.54 0.00 0.00 175.29 171.62 2wvx s SER 520 N -0.93 0.91 0.51 12.60 0.01 -1.26 -3.90 113.70 121.64 2wvx s SER 520 Ca 0.51 -0.52 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 2wvx s SER 520 Cb -0.33 0.02 -0.07 0.00 0.21 0.00 0.00 66.02 65.85 2wvx s SER 520 CO 0.42 -0.17 1.04 -2.16 0.41 0.00 0.00 173.24 172.79 2wvx s PRO 521 N -1.46 3.67 -0.22 12.44 0.04 -1.26 -5.13 135.00 143.07 2wvx s PRO 521 Ca -0.08 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2wvx s PRO 521 Cb -0.09 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2wvx s PRO 521 CO 0.01 -0.53 0.35 0.12 0.04 0.00 0.00 177.00 176.98 2wvx s PHE 522 N -2.10 3.33 -0.47 0.56 5.36 -1.25 -5.06 117.98 118.35 2wvx s PHE 522 Ca 0.66 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 2wvx s PHE 522 Cb -0.16 -2.49 0.12 0.00 -0.34 0.00 0.00 43.02 40.15 2wvx s PHE 522 CO 0.24 -0.05 0.23 0.45 -1.46 0.00 0.00 175.22 174.63 2wvx s SER 523 N 1.19 4.77 0.61 6.13 0.15 -1.26 -4.98 113.70 120.31 2wvx s SER 523 Ca 0.16 -2.59 0.36 0.00 0.70 0.00 0.00 55.95 54.57 2wvx s SER 523 Cb -0.15 -1.71 2.01 0.00 -1.71 0.00 0.00 66.02 64.47 2wvx s SER 523 CO 0.08 -0.35 2.28 -0.65 1.20 0.00 0.00 173.24 175.79 2wvx h PRO 524 N 7.15 0.00 -0.02 5.44 0.11 -2.01 -1.98 132.00 140.69 2wvx h PRO 524 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wvx h PRO 524 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2wvx h PRO 524 CO 0.65 0.01 -0.23 1.28 -0.21 0.00 0.00 178.00 179.51 2wvx n LEU 525 N -3.49 2.04 -4.66 2.35 4.77 -1.26 -2.23 117.00 114.52 2wvx n LEU 525 Ca -0.03 -0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 2wvx n LEU 525 Cb 0.10 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2wvx n LEU 525 CO 0.25 0.36 1.20 -0.75 -1.33 0.00 0.00 177.39 177.12 2wvx s LYS 526 N -2.27 4.21 0.49 3.23 2.20 -0.75 -1.68 119.74 125.18 2wvx s LYS 526 Ca 0.25 1.89 -0.19 0.00 -0.36 0.00 0.00 55.97 57.56 2wvx s LYS 526 Cb 0.19 -3.85 -0.08 0.00 -1.51 0.00 0.00 37.83 32.58 2wvx s LYS 526 CO 0.45 -0.76 1.01 -1.58 -0.36 0.00 0.00 175.35 174.10 2wvx s TRP 527 N 3.69 3.16 0.00 4.03 0.52 -0.74 -4.30 118.94 125.30 2wvx s TRP 527 Ca 0.63 1.56 0.00 0.00 0.02 0.00 0.00 56.10 58.31 2wvx s TRP 527 Cb -0.27 -2.95 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 2wvx s TRP 527 CO 0.21 -0.59 0.00 0.41 0.02 0.00 0.00 176.95 177.00 2wvx n GLY 528 N -0.68 0.67 7.00 0.98 0.00 -0.65 -4.51 105.19 108.00 2wvx n GLY 528 Ca 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2wvx n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wvx n ASP 529 N -0.77 0.00 0.23 1.61 2.03 -1.26 -1.28 116.55 117.11 2wvx n ASP 529 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2wvx n ASP 529 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 2wvx n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wvx h ALA 530 N -0.87 1.27 -0.38 -1.67 0.00 -1.92 0.79 119.26 116.48 2wvx h ALA 530 Ca 0.00 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 54.09 2wvx h ALA 530 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2wvx h ALA 530 CO 0.00 0.27 -0.37 -0.06 0.00 0.00 0.00 179.25 179.10 2wvx s PHE 531 N -4.10 1.62 0.01 0.00 0.08 -0.40 -0.57 117.98 114.62 2wvx s PHE 531 Ca -0.02 -0.91 -0.02 0.00 0.12 0.00 0.00 56.93 56.10 2wvx s PHE 531 Cb 0.13 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2wvx s PHE 531 CO 0.64 -0.27 0.01 -0.08 -0.10 0.00 0.00 175.22 175.43 2wvx s THR 532 N -2.83 0.09 -1.41 0.64 -1.32 -1.26 -4.18 115.64 105.37 2wvx s THR 532 Ca 0.22 -0.78 -0.07 0.00 -1.21 0.00 0.00 61.69 59.85 2wvx s THR 532 Cb -0.01 -0.28 0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2wvx s THR 532 CO 0.14 -0.43 0.89 -0.62 -2.21 0.00 0.00 174.62 172.39 2wvx n GLU 533 N 1.70 -5.58 -0.71 7.08 1.02 -1.26 -4.83 120.64 118.06 2wvx n GLU 533 Ca -0.23 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2wvx n GLU 533 Cb 0.56 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 2wvx n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wvx n GLY 534 N -1.65 0.47 0.87 0.62 0.00 -1.26 -4.70 105.19 99.54 2wvx n GLY 534 Ca -0.11 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 2wvx n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wvx n ASN 535 N 3.00 1.98 -0.27 1.61 0.23 -1.26 -1.64 115.26 118.91 2wvx n ASN 535 Ca 0.00 -1.49 -0.02 0.00 -0.53 0.00 0.00 54.58 52.53 2wvx n ASN 535 Cb 0.00 0.05 0.16 0.00 -2.08 0.00 0.00 39.78 37.91 2wvx n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2wvx h SER 536 N 0.24 0.99 0.10 0.53 0.87 -1.64 -1.59 113.55 113.04 2wvx h SER 536 Ca -0.09 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2wvx h SER 536 Cb 0.30 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2wvx h SER 536 CO 0.15 0.79 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.73 2wvx h TRP 537 N 1.12 0.00 0.04 2.24 4.06 -1.96 -1.10 115.95 120.35 2wvx h TRP 537 Ca 0.28 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.87 2wvx h TRP 537 Cb 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.12 2wvx h TRP 537 CO 0.01 0.01 -2.18 0.72 -3.56 0.00 0.00 178.44 173.44 2wvx n HIS 538 N -3.39 0.57 0.38 0.49 8.25 -0.66 -4.50 115.22 116.36 2wvx n HIS 538 Ca -0.03 0.15 0.11 0.00 -0.26 0.00 0.00 57.72 57.69 2wvx n HIS 538 Cb 0.10 -1.08 0.03 0.00 1.12 0.00 0.00 29.99 30.16 2wvx n HIS 538 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2wvx n TYR 539 N -3.20 0.51 0.23 4.41 9.36 -0.85 -4.12 117.16 123.50 2wvx n TYR 539 Ca -0.34 0.15 0.12 0.00 3.32 0.00 0.00 57.90 61.14 2wvx n TYR 539 Cb 1.05 -0.64 0.72 0.00 -0.63 0.00 0.00 39.34 39.84 2wvx n TYR 539 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2wvx h THR 540 N 0.00 0.83 -0.01 2.97 2.02 -1.43 -1.57 112.91 115.71 2wvx h THR 540 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wvx h THR 540 Cb 0.84 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2wvx h THR 540 CO 0.00 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.68 2wvx n TRP 541 N -4.31 0.01 -1.65 3.16 7.02 -1.26 -4.55 117.44 115.86 2wvx n TRP 541 Ca -0.01 -0.01 -0.40 0.00 -1.02 0.00 0.00 57.50 56.06 2wvx n TRP 541 Cb 0.17 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.04 2wvx n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wvx n SER 542 N -0.74 7.49 -3.16 -0.99 7.64 -0.59 -4.47 113.62 118.80 2wvx n SER 542 Ca 0.15 -2.82 -0.24 0.00 1.01 0.00 0.00 58.87 56.98 2wvx n SER 542 Cb 0.09 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 61.72 2wvx n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wvx n VAL 543 N 3.29 1.18 -0.28 0.44 0.31 -1.26 -4.72 118.33 117.29 2wvx n VAL 543 Ca 0.67 -4.89 -0.00 0.00 -0.01 0.00 0.00 64.34 60.10 2wvx n VAL 543 Cb 0.27 -1.30 0.12 0.00 -0.91 0.00 0.00 33.84 32.03 2wvx n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wvx h PHE 544 N 3.42 0.89 0.00 3.52 -1.00 -1.88 -1.76 116.94 120.13 2wvx h PHE 544 Ca 0.12 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2wvx h PHE 544 Cb 0.75 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.03 2wvx h PHE 544 CO 0.60 0.45 0.00 1.12 -1.61 0.00 0.00 178.31 178.88 2wvx h HIS 545 N 0.89 0.00 -1.36 -0.55 2.07 -1.90 -3.41 115.15 110.89 2wvx h HIS 545 Ca 0.35 0.00 -0.40 0.00 -2.85 0.00 0.00 60.37 57.46 2wvx h HIS 545 Cb 0.16 0.00 -0.33 0.00 2.57 0.00 0.00 27.41 29.81 2wvx h HIS 545 CO -0.04 0.00 -0.98 -3.47 -3.07 0.00 0.00 177.93 170.37 2wvx n ASP 546 N -2.62 -0.02 -0.10 3.10 2.03 -0.67 -1.00 116.55 117.27 2wvx n ASP 546 Ca 0.03 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.19 2wvx n ASP 546 Cb 0.38 0.09 0.28 0.00 -0.72 0.00 0.00 41.12 41.15 2wvx n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wvx h PRO 547 N 2.97 0.74 -0.95 -0.67 0.11 -1.75 -1.78 132.00 130.67 2wvx h PRO 547 Ca 0.02 -0.10 0.04 0.00 0.11 0.00 0.00 66.00 66.07 2wvx h PRO 547 Cb 1.03 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.94 2wvx h PRO 547 CO 0.39 0.60 0.62 0.37 -0.21 0.00 0.00 178.00 179.77 2wvx h GLN 548 N 0.74 1.16 -0.79 1.05 5.75 -1.91 0.25 115.11 121.35 2wvx h GLN 548 Ca 0.18 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2wvx h GLN 548 Cb 0.12 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 2wvx h GLN 548 CO -0.02 0.77 0.45 0.78 -2.65 0.00 0.00 178.83 178.16 2wvx h GLY 549 N 1.19 1.18 0.84 2.39 0.00 -1.74 0.10 103.07 107.03 2wvx h GLY 549 Ca 0.38 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 2wvx h GLY 549 CO -0.12 0.50 -0.15 -2.00 0.00 0.00 0.00 176.54 174.76 2wvx h LEU 550 N 1.10 0.52 -0.60 3.11 5.85 -0.66 -1.53 115.31 123.10 2wvx h LEU 550 Ca 0.28 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.68 2wvx h LEU 550 Cb 0.01 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.80 2wvx h LEU 550 CO -0.05 0.85 0.04 0.40 -0.34 0.00 0.00 178.44 179.34 2wvx h ILE 551 N 0.19 0.55 -0.17 4.05 2.04 -0.39 -2.45 117.51 121.33 2wvx h ILE 551 Ca 0.04 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2wvx h ILE 551 Cb 0.68 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2wvx h ILE 551 CO 0.04 0.03 -0.07 0.44 0.00 0.00 0.00 178.15 178.59 2wvx h ASP 552 N 0.16 -0.23 0.00 1.72 3.32 -0.62 -0.57 116.42 120.19 2wvx h ASP 552 Ca 0.32 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2wvx h ASP 552 Cb 0.50 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2wvx h ASP 552 CO -0.48 -0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.13 2wvx n LEU 553 N -5.21 0.00 -1.02 1.55 4.77 -0.59 -4.02 117.00 112.47 2wvx n LEU 553 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2wvx n LEU 553 Cb 0.14 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2wvx n LEU 553 CO 0.24 0.00 0.15 0.61 -1.33 0.00 0.00 177.39 177.06 2wvx n GLY 555 N 0.84 0.77 0.00 -0.72 0.00 -1.03 -4.97 105.19 100.07 2wvx n GLY 555 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2wvx n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 556 N 0.26 2.16 0.29 -0.02 0.00 -0.25 -4.81 105.19 102.82 2wvx n GLY 556 Ca 0.03 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 44.09 2wvx n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wvx h LYS 557 N 0.00 0.31 -0.73 1.61 2.10 -1.92 -1.59 116.57 116.36 2wvx h LYS 557 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2wvx h LYS 557 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2wvx h LYS 557 CO 0.00 0.21 0.00 0.39 -2.00 0.00 0.00 179.45 178.05 2wvx n GLU 558 N -4.50 0.48 0.00 0.07 4.71 -1.26 -1.62 120.64 118.52 2wvx n GLU 558 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2wvx n GLU 558 Cb 0.08 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2wvx n GLU 558 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2wvx n PHE 560 N 0.38 0.00 -0.13 -0.32 -0.00 -0.60 -1.21 117.46 115.59 2wvx n PHE 560 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.40 2wvx n PHE 560 Cb 0.15 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 39.76 2wvx n PHE 560 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2wvx h VAL 561 N 0.00 1.25 0.00 -2.13 2.07 -1.58 -3.42 116.25 112.44 2wvx h VAL 561 Ca 0.00 -1.07 -0.33 0.00 0.82 0.00 0.00 66.70 66.13 2wvx h VAL 561 Cb 0.00 0.89 0.08 0.00 -1.52 0.00 0.00 31.29 30.75 2wvx h VAL 561 CO 0.00 0.38 1.10 0.41 0.02 0.00 0.00 177.57 179.47 2wvx n THR 562 N -4.20 0.00 0.00 2.57 -1.04 -0.35 -4.50 114.28 106.76 2wvx n THR 562 Ca 0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2wvx n THR 562 Cb 0.32 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 2wvx n THR 562 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2wvx n ASP 565 N 6.94 0.00 0.20 8.00 8.00 -1.26 -4.76 116.55 133.66 2wvx n ASP 565 Ca 0.26 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.81 2wvx n ASP 565 Cb 0.26 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.78 2wvx n ASP 565 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2wvx h SER 566 N 0.00 0.00 -0.52 -2.24 4.64 -1.95 -2.28 113.55 111.20 2wvx h SER 566 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2wvx h SER 566 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2wvx h SER 566 CO 0.00 0.33 0.21 0.58 -0.87 0.00 0.00 176.83 177.08 2wvx h VAL 567 N 0.00 0.87 -0.07 0.95 2.07 -1.96 -2.20 116.25 115.92 2wvx h VAL 567 Ca -0.00 -0.14 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 2wvx h VAL 567 Cb 0.65 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2wvx h VAL 567 CO 0.04 0.08 -0.68 -0.26 0.02 0.00 0.00 177.57 176.77 2wvx h PHE 568 N 0.42 0.39 0.00 1.57 0.04 -1.84 0.25 116.94 117.77 2wvx h PHE 568 Ca 0.24 -0.16 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 2wvx h PHE 568 Cb 0.23 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2wvx h PHE 568 CO -0.14 0.88 -0.78 0.00 -0.60 0.00 0.00 178.31 177.67 2wvx h ALA 569 N 1.08 0.56 -2.35 2.45 0.00 -1.11 -3.29 119.26 116.60 2wvx h ALA 569 Ca -0.02 -0.67 -0.50 0.00 0.00 0.00 0.00 54.91 53.72 2wvx h ALA 569 Cb 1.22 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 19.03 2wvx h ALA 569 CO 0.11 0.89 0.37 0.14 0.00 0.00 0.00 179.25 180.76 2wvx s VAL 570 N -2.86 3.77 0.87 0.00 -7.23 -0.85 -4.97 120.40 109.13 2wvx s VAL 570 Ca 0.02 0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 2wvx s VAL 570 Cb 0.08 -3.31 0.11 0.00 0.56 0.00 0.00 36.38 33.83 2wvx s VAL 570 CO 0.78 -0.61 1.11 -2.84 -0.31 0.00 0.00 175.10 173.23 2wvx s PRO 571 N -4.47 1.45 -0.77 4.82 0.02 -1.26 -3.95 135.00 130.84 2wvx s PRO 571 Ca 0.62 1.25 -0.07 0.00 0.02 0.00 0.00 61.00 62.82 2wvx s PRO 571 Cb -0.16 -1.80 -0.16 0.00 0.02 0.00 0.00 34.50 32.41 2wvx s PRO 571 CO 0.45 -2.23 3.00 -0.35 -0.33 0.00 0.00 177.00 177.54 2wvx n PRO 572 N -3.93 2.58 -2.00 5.54 -0.04 -1.26 -4.40 135.00 131.50 2wvx n PRO 572 Ca 0.09 -1.48 -0.32 0.00 -0.04 0.00 0.00 63.50 61.75 2wvx n PRO 572 Cb 0.53 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.65 2wvx n PRO 572 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wvx s ILE 573 N 1.89 4.26 0.16 0.52 -4.36 -1.26 -4.80 121.20 117.60 2wvx s ILE 573 Ca 0.61 0.92 -0.14 0.00 -0.26 0.00 0.00 60.65 61.78 2wvx s ILE 573 Cb 0.22 -3.59 0.01 0.00 1.25 0.00 0.00 42.46 40.36 2wvx s ILE 573 CO -0.03 -0.78 0.39 0.72 0.24 0.00 0.00 174.94 175.49 2wvx s PHE 574 N -2.79 0.06 -0.25 1.37 -0.12 -1.26 -5.00 117.98 109.98 2wvx s PHE 574 Ca 0.59 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.08 2wvx s PHE 574 Cb -0.13 0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.50 2wvx s PHE 574 CO 0.43 -0.78 -0.10 0.34 -0.05 0.00 0.00 175.22 175.06 2wvx s ASP 575 N -2.89 4.28 -0.11 1.98 -1.08 -0.68 -4.95 116.67 113.23 2wvx s ASP 575 Ca 0.10 -1.33 0.18 0.00 -0.52 0.00 0.00 52.55 50.98 2wvx s ASP 575 Cb 0.01 -1.47 0.71 0.00 -1.46 0.00 0.00 42.92 40.71 2wvx s ASP 575 CO -0.04 -0.19 1.61 -0.90 0.52 0.00 0.00 175.17 176.16 2wvx n ASP 576 N 4.49 4.64 0.30 -0.34 5.68 -1.26 -1.79 116.55 128.26 2wvx n ASP 576 Ca -0.14 -2.42 0.16 0.00 -0.50 0.00 0.00 54.79 51.89 2wvx n ASP 576 Cb 0.43 -0.57 0.91 0.00 -1.14 0.00 0.00 41.12 40.75 2wvx n ASP 576 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2wvx h SER 577 N 4.03 0.00 -0.51 -1.12 4.64 -1.91 0.24 113.55 118.92 2wvx h SER 577 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2wvx h SER 577 Cb 1.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.47 2wvx h SER 577 CO 0.22 0.03 0.34 0.22 -0.87 0.00 0.00 176.83 176.77 2wvx h TYR 578 N 0.00 0.59 0.00 4.77 3.20 -1.82 -3.27 116.97 120.44 2wvx h TYR 578 Ca -0.00 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.57 2wvx h TYR 578 Cb 0.09 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 2wvx h TYR 578 CO 0.00 0.35 -2.23 0.66 -1.64 0.00 0.00 178.16 175.31 2wvx n TYR 579 N -4.47 0.17 -0.73 -3.82 4.01 0.74 -4.99 117.16 108.08 2wvx n TYR 579 Ca 0.05 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2wvx n TYR 579 Cb 0.12 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 2wvx n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wvx n GLY 580 N 1.67 0.77 3.58 2.72 0.00 -0.58 -4.99 105.19 108.36 2wvx n GLY 580 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 2wvx n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wvx s GLN 581 N -0.27 0.97 -0.84 1.61 -2.07 -1.25 -5.04 119.66 112.77 2wvx s GLN 581 Ca 0.00 -0.43 -0.24 0.00 -1.82 0.00 0.00 55.36 52.87 2wvx s GLN 581 Cb 0.00 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 32.38 2wvx s GLN 581 CO 0.00 -0.43 1.25 0.08 -1.32 0.00 0.00 175.29 174.87 2wvx s VAL 582 N -3.21 4.03 0.85 3.63 1.01 -1.26 -4.87 120.40 120.59 2wvx s VAL 582 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2wvx s VAL 582 Cb -0.01 -4.90 0.10 0.00 0.00 0.00 0.00 36.38 31.57 2wvx s VAL 582 CO -0.05 -1.76 1.10 0.27 0.00 0.00 0.00 175.10 174.66 2wvx s ILE 583 N 4.77 2.82 0.38 2.22 -4.36 -1.26 -4.72 121.20 121.05 2wvx s ILE 583 Ca 0.36 0.27 0.09 0.00 -0.26 0.00 0.00 60.65 61.11 2wvx s ILE 583 Cb -0.07 -2.62 0.15 0.00 1.25 0.00 0.00 42.46 41.17 2wvx s ILE 583 CO 0.03 -0.35 1.91 1.12 0.24 0.00 0.00 174.94 177.89 2wvx h HIS 584 N -1.47 0.25 -0.32 1.37 2.07 -1.90 -1.58 115.15 113.56 2wvx h HIS 584 Ca -0.46 -0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 56.98 2wvx h HIS 584 Cb 1.26 -0.07 -0.02 0.00 2.57 0.00 0.00 27.41 31.15 2wvx h HIS 584 CO 0.51 0.38 -0.02 0.93 -3.07 0.00 0.00 177.93 176.66 2wvx h GLU 585 N 0.22 0.51 -0.12 5.12 3.07 -1.91 0.67 114.58 122.13 2wvx h GLU 585 Ca 0.04 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 2wvx h GLU 585 Cb 0.39 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2wvx h GLU 585 CO 0.02 0.55 -0.10 0.82 -1.40 0.00 0.00 179.01 178.90 2wvx h ILE 586 N 0.49 1.34 -0.64 3.13 2.04 -1.66 -3.20 117.51 119.01 2wvx h ILE 586 Ca 0.10 -1.22 0.07 0.00 1.00 0.00 0.00 64.86 64.82 2wvx h ILE 586 Cb 0.34 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 2wvx h ILE 586 CO 0.01 0.35 0.31 -0.09 0.00 0.00 0.00 178.15 178.74 2wvx h ARG 587 N -0.09 0.55 -1.64 2.37 9.65 -0.91 -1.55 114.38 122.76 2wvx h ARG 587 Ca 0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2wvx h ARG 587 Cb 0.60 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2wvx h ARG 587 CO 0.03 0.36 0.00 0.39 2.80 0.00 0.00 179.97 183.55 2wvx n GLU 588 N -4.87 0.00 0.00 0.20 1.02 0.18 -2.41 120.64 114.77 2wvx n GLU 588 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2wvx n GLU 588 Cb 0.22 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2wvx n GLU 588 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wvx n THR 590 N 0.89 0.00 -1.33 2.62 -2.24 -0.58 -4.97 114.28 108.67 2wvx n THR 590 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2wvx n THR 590 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 2wvx n THR 590 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2wvx n VAL 591 N 0.00 3.93 0.00 2.28 0.24 -1.01 -4.93 118.33 118.84 2wvx n VAL 591 Ca 0.00 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.78 2wvx n VAL 591 Cb 0.00 -2.23 0.00 0.00 -1.47 0.00 0.00 33.84 30.14 2wvx n VAL 591 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2wvx n ASN 593 N 2.68 0.00 0.00 -1.34 4.05 -1.26 -5.25 115.26 114.14 2wvx n ASN 593 Ca 0.62 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.65 2wvx n ASN 593 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 2wvx n ASN 593 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wvx n GLY 595 N 0.00 1.78 0.72 8.20 0.00 -1.24 -5.13 105.19 109.52 2wvx n GLY 595 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.28 2wvx n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvx n ASN 596 N 0.00 2.08 -4.54 1.61 3.02 0.89 -4.05 115.26 114.26 2wvx n ASN 596 Ca 0.00 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.13 2wvx n ASN 596 Cb 0.00 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 2wvx n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wvx s TYR 597 N -1.48 2.39 -0.90 3.10 5.04 -1.25 -4.92 117.35 119.32 2wvx s TYR 597 Ca 0.26 -0.28 -0.15 0.00 -2.44 0.00 0.00 57.07 54.46 2wvx s TYR 597 Cb 0.13 -4.60 0.20 0.00 0.35 0.00 0.00 41.96 38.05 2wvx s TYR 597 CO 0.18 -2.00 0.93 0.00 -1.34 0.00 0.00 175.55 173.31 2wvx s ALA 598 N 5.36 3.99 0.54 3.97 0.00 -1.26 -4.92 121.76 129.44 2wvx s ALA 598 Ca 0.36 -3.26 0.26 0.00 0.00 0.00 0.00 51.96 49.32 2wvx s ALA 598 Cb -0.07 -3.68 1.41 0.00 0.00 0.00 0.00 23.12 20.78 2wvx s ALA 598 CO 0.09 -2.46 1.99 1.25 0.00 0.00 0.00 175.76 176.63 2wvx h HIS 599 N 7.86 0.00 0.00 0.00 2.76 -1.96 0.31 115.15 124.12 2wvx h HIS 599 Ca 0.14 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2wvx h HIS 599 Cb 1.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 2wvx h HIS 599 CO 1.04 0.00 -0.10 0.78 -1.30 0.00 0.00 177.93 178.35 2wvx h GLY 600 N 0.00 0.00 -6.67 5.26 0.00 -1.91 -3.42 103.07 96.33 2wvx h GLY 600 Ca 0.25 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.02 2wvx h GLY 600 CO -0.00 0.00 1.05 -1.31 0.00 0.00 0.00 176.54 176.28 2wvx s ASN 601 N -5.94 6.39 0.31 0.19 0.02 0.10 -4.86 114.94 111.15 2wvx s ASN 601 Ca 0.01 0.86 0.08 0.00 -1.02 0.00 0.00 52.86 52.79 2wvx s ASN 601 Cb 0.09 -2.54 0.86 0.00 0.02 0.00 0.00 41.25 39.69 2wvx s ASN 601 CO 0.59 -1.38 1.69 1.56 0.02 0.00 0.00 177.10 179.58 2wvx h GLN 602 N 10.46 0.40 0.00 -0.60 7.50 -1.84 -0.84 115.11 130.19 2wvx h GLN 602 Ca -0.27 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 58.85 2wvx h GLN 602 Cb 1.10 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.54 2wvx h GLN 602 CO 1.08 0.26 -0.02 -1.35 -1.50 0.00 0.00 178.83 177.31 2wvx h PRO 603 N 0.41 0.00 -0.01 1.46 0.11 -1.89 -2.14 132.00 129.94 2wvx h PRO 603 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 2wvx h PRO 603 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wvx h PRO 603 CO -0.55 0.02 -0.40 1.51 -0.21 0.00 0.00 178.00 178.36 2wvx n ILE 604 N -3.63 0.00 0.26 4.15 3.06 -0.32 -4.52 119.36 118.36 2wvx n ILE 604 Ca -0.03 -0.12 0.14 0.00 -2.50 0.00 0.00 62.75 60.24 2wvx n ILE 604 Cb 0.10 0.61 0.71 0.00 0.54 0.00 0.00 39.64 41.60 2wvx n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2wvx h GLN 605 N 1.18 0.00 -3.45 9.51 4.20 -1.45 -3.39 115.11 121.70 2wvx h GLN 605 Ca 0.00 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 57.97 2wvx h GLN 605 Cb 0.56 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.23 2wvx h GLN 605 CO 0.00 0.11 2.50 -2.39 -0.67 0.00 0.00 178.83 178.38 2wvx n HIS 606 N -3.41 2.98 0.00 2.96 1.44 -1.26 -4.85 115.22 113.08 2wvx n HIS 606 Ca -0.01 -2.86 0.00 0.00 -2.01 0.00 0.00 57.72 52.84 2wvx n HIS 606 Cb 0.28 -2.12 0.00 0.00 0.12 0.00 0.00 29.99 28.27 2wvx n HIS 606 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2wvx n ILE 608 N 3.54 0.00 0.33 0.61 5.41 -1.26 -3.69 119.36 124.30 2wvx n ILE 608 Ca 0.49 0.00 0.21 0.00 1.00 0.00 0.00 62.75 64.45 2wvx n ILE 608 Cb 0.34 0.00 1.11 0.00 -0.71 0.00 0.00 39.64 40.39 2wvx n ILE 608 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2wvx h TYR 609 N 0.00 0.00 0.00 1.39 -1.99 -1.93 -2.67 116.97 111.77 2wvx h TYR 609 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wvx h TYR 609 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2wvx h TYR 609 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 2wvx h LEU 610 N 0.00 0.00 -1.49 3.88 3.38 -2.00 -2.09 115.31 116.98 2wvx h LEU 610 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2wvx h LEU 610 Cb 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2wvx h LEU 610 CO 0.00 0.00 0.58 1.88 0.09 0.00 0.00 178.44 180.99 2wvx h TYR 611 N 0.00 0.56 -0.89 1.13 0.05 -1.79 0.09 116.97 116.12 2wvx h TYR 611 Ca 0.00 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.87 2wvx h TYR 611 Cb 0.47 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 2wvx h TYR 611 CO 0.00 0.17 0.58 -0.44 -1.05 0.00 0.00 178.16 177.41 2wvx h ASP 612 N 0.44 0.87 1.13 3.88 5.19 -1.60 -1.05 116.42 125.28 2wvx h ASP 612 Ca 0.45 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 2wvx h ASP 612 Cb 1.07 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2wvx h ASP 612 CO -0.17 0.55 0.00 -1.22 -3.12 0.00 0.00 179.24 175.28 2wvx n TYR 613 N -4.49 0.63 -0.16 4.55 4.02 0.01 -2.99 117.16 118.72 2wvx n TYR 613 Ca 0.14 0.20 0.08 0.00 -0.01 0.00 0.00 57.90 58.31 2wvx n TYR 613 Cb 0.22 -0.83 0.20 0.00 -0.02 0.00 0.00 39.34 38.91 2wvx n TYR 613 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wvx n ALA 614 N -1.70 2.27 -0.77 -0.72 0.00 -0.80 -4.92 120.51 113.87 2wvx n ALA 614 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2wvx n ALA 614 Cb 0.34 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2wvx n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wvx n GLY 615 N 0.92 0.56 2.61 0.00 0.00 -1.09 -4.88 105.19 103.31 2wvx n GLY 615 Ca 0.16 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2wvx n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wvx n GLN 616 N -2.77 2.27 0.29 1.61 6.02 -0.47 -4.57 117.38 119.76 2wvx n GLN 616 Ca 0.00 -4.24 0.16 0.00 -0.01 0.00 0.00 57.00 52.91 2wvx n GLN 616 Cb 0.00 -2.01 0.93 0.00 1.02 0.00 0.00 30.24 30.18 2wvx n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2wvx h PRO 617 N 3.07 0.00 0.00 -1.09 0.13 -1.84 -0.48 132.00 131.79 2wvx h PRO 617 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 2wvx h PRO 617 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2wvx h PRO 617 CO 0.69 0.00 -0.19 0.11 -0.23 0.00 0.00 178.00 178.37 2wvx h TRP 618 N 0.00 0.00 -0.09 1.56 0.09 -1.89 -0.64 115.95 114.98 2wvx h TRP 618 Ca 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 58.89 58.79 2wvx h TRP 618 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.31 2wvx h TRP 618 CO 0.00 0.19 -0.77 0.87 0.09 0.00 0.00 178.44 178.82 2wvx h LYS 619 N 0.00 0.51 -0.40 0.12 1.57 -1.47 -1.50 116.57 115.41 2wvx h LYS 619 Ca -0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2wvx h LYS 619 Cb 0.41 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2wvx h LYS 619 CO 0.03 1.06 0.26 0.00 -0.57 0.00 0.00 179.45 180.23 2wvx h ALA 620 N 0.81 0.51 -0.60 3.86 0.00 -1.44 -1.89 119.26 120.50 2wvx h ALA 620 Ca -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wvx h ALA 620 Cb 1.37 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2wvx h ALA 620 CO 0.14 -0.03 0.36 1.96 0.00 0.00 0.00 179.25 181.68 2wvx h GLN 621 N 0.54 0.68 0.33 0.00 4.20 -0.99 0.54 115.11 120.42 2wvx h GLN 621 Ca 0.15 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2wvx h GLN 621 Cb -0.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2wvx h GLN 621 CO -0.03 0.45 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.50 2wvx h TYR 622 N 0.70 -0.42 -0.16 2.96 3.20 -1.11 -2.59 116.97 119.55 2wvx h TYR 622 Ca 0.25 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.92 2wvx h TYR 622 Cb 0.05 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2wvx h TYR 622 CO -0.06 -0.21 -0.68 -1.49 -1.64 0.00 0.00 178.16 174.09 2wvx h TRP 623 N -0.53 0.83 -0.70 -3.82 4.06 -1.13 -2.31 115.95 112.34 2wvx h TRP 623 Ca -0.05 -0.34 0.01 0.00 2.06 0.00 0.00 58.89 60.57 2wvx h TRP 623 Cb 0.40 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 2wvx h TRP 623 CO -0.03 1.12 0.46 -0.07 -3.56 0.00 0.00 178.44 176.36 2wvx h LEU 624 N 0.45 0.81 -0.98 -4.49 3.38 -0.96 -0.88 115.31 112.63 2wvx h LEU 624 Ca -0.02 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2wvx h LEU 624 Cb 1.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2wvx h LEU 624 CO 0.13 0.59 -0.09 -0.09 0.09 0.00 0.00 178.44 179.06 2wvx h ARG 625 N 0.95 0.63 -0.21 1.13 9.65 -1.31 -2.73 114.38 122.49 2wvx h ARG 625 Ca 0.26 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2wvx h ARG 625 Cb -0.11 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 2wvx h ARG 625 CO -0.05 0.72 0.08 1.96 2.80 0.00 0.00 179.97 185.47 2wvx h GLN 626 N 0.58 0.18 -0.40 0.20 1.08 -0.81 -1.00 115.11 114.93 2wvx h GLN 626 Ca 0.11 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2wvx h GLN 626 Cb 0.51 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2wvx h GLN 626 CO 0.03 0.12 0.00 0.28 -0.95 0.00 0.00 178.83 178.31 2wvx n VAL 627 N -5.03 0.00 0.00 -0.54 0.31 -0.40 -1.00 118.33 111.66 2wvx n VAL 627 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2wvx n VAL 627 Cb 0.07 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2wvx n VAL 627 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2wvx n ASP 629 N 0.59 0.00 -1.45 4.52 8.00 -0.38 -3.96 116.55 123.87 2wvx n ASP 629 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2wvx n ASP 629 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 2wvx n ASP 629 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wvx n ARG 630 N 0.00 2.11 0.00 -1.24 1.74 -0.17 -4.95 116.66 114.15 2wvx n ARG 630 Ca 0.00 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 2wvx n ARG 630 Cb 0.00 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2wvx n ARG 630 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wvx n TYR 632 N -1.04 0.00 -4.19 -1.55 4.02 -1.25 -5.04 117.16 108.10 2wvx n TYR 632 Ca 0.39 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.16 2wvx n TYR 632 Cb 1.20 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.42 2wvx n TYR 632 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2wvx s THR 633 N 0.00 0.91 -1.93 -0.72 -4.23 0.25 -5.03 115.64 104.89 2wvx s THR 633 Ca 0.00 -1.87 0.29 0.00 -1.18 0.00 0.00 61.69 58.93 2wvx s THR 633 Cb 0.00 -1.62 0.60 0.00 1.34 0.00 0.00 72.50 72.82 2wvx s THR 633 CO 0.00 -0.73 1.93 -0.81 -0.54 0.00 0.00 174.62 174.47 2wvx n PRO 634 N 0.12 0.99 -1.20 3.99 -0.04 -1.26 -4.19 135.00 133.40 2wvx n PRO 634 Ca -0.13 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 62.87 2wvx n PRO 634 Cb 0.60 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 2wvx n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wvx n GLY 635 N 1.18 -0.47 0.35 0.55 0.00 -1.26 -4.89 105.19 100.64 2wvx n GLY 635 Ca 0.18 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.46 2wvx n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wvx h PRO 636 N 0.00 0.63 -1.62 1.61 0.11 -1.92 -1.64 132.00 129.17 2wvx h PRO 636 Ca -0.19 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.35 2wvx h PRO 636 Cb 0.59 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.35 2wvx h PRO 636 CO 0.16 0.42 0.62 -0.40 -0.21 0.00 0.00 178.00 178.59 2wvx n ASP 637 N -4.48 6.93 -0.16 -2.05 3.85 -1.26 -0.35 116.55 119.04 2wvx n ASP 637 Ca 0.09 -3.40 -0.10 0.00 -0.71 0.00 0.00 54.79 50.67 2wvx n ASP 637 Cb 0.23 -1.09 -0.00 0.00 -1.35 0.00 0.00 41.12 38.91 2wvx n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2wvx h GLY 638 N 2.89 0.92 -2.71 6.12 0.00 -1.40 -3.45 103.07 105.44 2wvx h GLY 638 Ca 0.44 -0.72 -0.48 0.00 0.00 0.00 0.00 47.33 46.56 2wvx h GLY 638 CO 1.10 0.66 -0.16 -0.19 0.00 0.00 0.00 176.54 177.96 2wvx s TYR 639 N -4.89 3.50 -2.18 5.60 1.51 -0.61 -0.58 117.35 119.69 2wvx s TYR 639 Ca -0.12 0.44 0.27 0.00 -1.01 0.00 0.00 57.07 56.65 2wvx s TYR 639 Cb 0.11 -1.96 0.91 0.00 -0.11 0.00 0.00 41.96 40.91 2wvx s TYR 639 CO 0.83 0.09 1.66 0.00 -1.11 0.00 0.00 175.55 177.02 2wvx n GLY 641 N 1.25 0.94 3.75 0.00 0.00 -1.25 -4.84 105.19 105.03 2wvx n GLY 641 Ca 0.16 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 2wvx n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wvx n ASP 642 N -0.17 3.09 0.13 1.61 8.00 -1.26 -2.10 116.55 125.85 2wvx n ASP 642 Ca 0.00 1.11 -0.01 0.00 0.71 0.00 0.00 54.79 56.60 2wvx n ASP 642 Cb 0.00 -1.58 0.14 0.00 -0.02 0.00 0.00 41.12 39.66 2wvx n ASP 642 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2wvx h GLU 643 N 2.19 0.00 -5.90 -1.24 4.22 -1.49 -3.45 114.58 108.91 2wvx h GLU 643 Ca -0.50 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.58 2wvx h GLU 643 Cb 1.28 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.66 2wvx h GLU 643 CO 0.60 0.65 -0.89 -0.25 -2.18 0.00 0.00 179.01 176.94 2wvx n ASP 644 N -3.66 -5.35 -2.07 1.04 8.00 -1.26 -2.03 116.55 111.22 2wvx n ASP 644 Ca -0.01 -0.87 -0.18 0.00 0.71 0.00 0.00 54.79 54.44 2wvx n ASP 644 Cb 0.66 -4.20 -0.01 0.00 -0.02 0.00 0.00 41.12 37.55 2wvx n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wvx n ASN 645 N -2.94 -5.34 0.00 -2.24 4.13 -1.26 -1.70 115.26 105.91 2wvx n ASN 645 Ca -0.11 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2wvx n ASN 645 Cb 0.61 -4.41 0.00 0.00 -1.54 0.00 0.00 39.78 34.45 2wvx n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvx n GLY 646 N -1.00 3.03 0.07 7.41 0.00 -1.24 -4.73 105.19 108.73 2wvx n GLY 646 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2wvx n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wvx h GLN 647 N 1.61 -0.06 0.00 1.61 5.75 -1.37 0.33 115.11 122.98 2wvx h GLN 647 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2wvx h GLN 647 Cb 0.00 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2wvx h GLN 647 CO 0.00 0.17 -0.33 1.15 -2.65 0.00 0.00 178.83 177.17 2wvx h THR 648 N -0.29 1.21 -0.02 2.39 2.02 -1.62 -0.59 112.91 116.01 2wvx h THR 648 Ca -0.01 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2wvx h THR 648 Cb 0.26 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2wvx h THR 648 CO 0.01 0.32 -0.15 0.28 0.37 0.00 0.00 175.52 176.36 2wvx h SER 649 N 0.00 0.17 0.15 4.18 0.02 -1.67 -3.24 113.55 113.16 2wvx h SER 649 Ca -0.00 -0.68 -0.03 0.00 -0.84 0.00 0.00 61.79 60.24 2wvx h SER 649 Cb 0.59 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2wvx h SER 649 CO 0.04 0.83 -0.14 0.00 -1.14 0.00 0.00 176.83 176.42 2wvx h ALA 650 N 0.35 1.73 -0.55 3.77 0.00 -0.24 -1.32 119.26 123.00 2wvx h ALA 650 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2wvx h ALA 650 Cb 0.83 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2wvx h ALA 650 CO 0.03 0.18 0.19 2.35 0.00 0.00 0.00 179.25 182.00 2wvx h TRP 651 N 0.00 0.34 -0.33 0.00 7.01 -1.13 -1.00 115.95 120.82 2wvx h TRP 651 Ca -0.00 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 2wvx h TRP 651 Cb 0.26 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2wvx h TRP 651 CO 0.00 0.09 -0.03 -0.92 -2.79 0.00 0.00 178.44 174.79 2wvx h TYR 652 N 0.37 0.68 0.14 2.65 5.03 -1.29 0.39 116.97 124.94 2wvx h TYR 652 Ca 0.27 -0.13 0.02 0.00 2.58 0.00 0.00 58.73 61.47 2wvx h TYR 652 Cb 0.32 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.39 2wvx h TYR 652 CO -0.17 0.75 -0.34 0.28 -1.32 0.00 0.00 178.16 177.36 2wvx h VAL 653 N 0.41 0.28 0.15 1.81 2.07 -1.02 0.16 116.25 120.10 2wvx h VAL 653 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2wvx h VAL 653 Cb 0.51 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2wvx h VAL 653 CO 0.02 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 177.26 2wvx h PHE 654 N -0.59 -0.25 -0.20 1.57 0.04 -1.17 -2.77 116.94 113.58 2wvx h PHE 654 Ca 0.02 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2wvx h PHE 654 Cb 0.61 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2wvx h PHE 654 CO -0.29 -0.15 -0.06 0.77 -0.60 0.00 0.00 178.31 177.97 2wvx h SER 655 N -0.24 0.28 0.07 2.17 0.02 -0.68 -0.34 113.55 114.84 2wvx h SER 655 Ca -0.01 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2wvx h SER 655 Cb 0.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2wvx h SER 655 CO 0.01 0.39 -0.26 0.00 -1.14 0.00 0.00 176.83 175.83 2wvx h ALA 656 N 1.64 1.26 0.00 3.77 0.00 -0.54 -2.19 119.26 123.20 2wvx h ALA 656 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2wvx h ALA 656 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wvx h ALA 656 CO 0.01 0.50 -0.51 -0.07 0.00 0.00 0.00 179.25 179.18 2wvx h LEU 657 N 0.28 0.00 0.00 0.00 3.38 -0.82 0.25 115.31 118.40 2wvx h LEU 657 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wvx h LEU 657 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wvx h LEU 657 CO 0.04 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2wvx n GLY 658 N 0.11 1.50 3.59 0.83 0.00 -0.55 -4.51 105.19 106.16 2wvx n GLY 658 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2wvx n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wvx s PHE 659 N -2.00 -0.20 -0.20 1.61 -0.12 -1.15 0.20 117.98 116.11 2wvx s PHE 659 Ca 0.00 -0.14 -0.19 0.00 -0.05 0.00 0.00 56.93 56.54 2wvx s PHE 659 Cb 0.00 0.50 0.05 0.00 -0.63 0.00 0.00 43.02 42.94 2wvx s PHE 659 CO 0.00 -0.99 0.55 -0.47 -0.05 0.00 0.00 175.22 174.26 2wvx s TYR 660 N -3.87 -0.60 -1.29 3.49 6.14 -0.46 -3.88 117.35 116.89 2wvx s TYR 660 Ca 0.09 1.44 -0.15 0.00 0.64 0.00 0.00 57.07 59.09 2wvx s TYR 660 Cb -0.02 0.21 0.11 0.00 0.42 0.00 0.00 41.96 42.68 2wvx s TYR 660 CO -0.02 -0.30 1.73 -0.35 0.64 0.00 0.00 175.55 177.26 2wvx n PRO 661 N 2.72 3.26 -0.25 4.97 -0.04 -1.26 0.01 135.00 144.40 2wvx n PRO 661 Ca -0.14 -3.40 0.04 0.00 -0.04 0.00 0.00 63.50 59.96 2wvx n PRO 661 Cb 0.56 -3.25 0.17 0.00 -0.04 0.00 0.00 33.50 30.94 2wvx n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wvx h VAL 662 N 4.80 0.68 -2.94 0.52 2.07 -1.87 -3.31 116.25 116.20 2wvx h VAL 662 Ca 0.42 -0.15 -0.61 0.00 0.82 0.00 0.00 66.70 67.17 2wvx h VAL 662 Cb 0.81 0.21 -0.41 0.00 -1.52 0.00 0.00 31.29 30.37 2wvx h VAL 662 CO 1.48 0.08 -0.66 0.00 0.02 0.00 0.00 177.57 178.48 2wvx n PRO 664 N 2.24 1.00 0.00 0.00 -0.02 -1.25 -1.58 135.00 135.39 2wvx n PRO 664 Ca 0.21 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2wvx n PRO 664 Cb 0.38 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2wvx n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wvx n GLY 665 N 1.33 3.20 3.99 -1.23 0.00 -1.26 -4.88 105.19 106.34 2wvx n GLY 665 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2wvx n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvx s THR 666 N -2.98 2.21 -0.23 2.61 -4.23 -0.62 -4.90 115.64 107.49 2wvx s THR 666 Ca 0.00 -0.61 0.14 0.00 -1.18 0.00 0.00 61.69 60.04 2wvx s THR 666 Cb 0.00 -2.60 0.77 0.00 1.34 0.00 0.00 72.50 72.01 2wvx s THR 666 CO 0.00 0.00 1.70 -0.90 -0.54 0.00 0.00 174.62 174.88 2wvx n ASP 667 N -2.75 5.37 -4.73 3.99 5.75 -1.26 -4.98 116.55 117.94 2wvx n ASP 667 Ca 0.14 -2.97 -0.32 0.00 -0.01 0.00 0.00 54.79 51.62 2wvx n ASP 667 Cb 0.60 -0.67 -0.08 0.00 -1.03 0.00 0.00 41.12 39.95 2wvx n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wvx s GLU 668 N -2.80 2.87 -0.14 0.11 2.02 -1.26 -0.15 118.70 119.34 2wvx s GLU 668 Ca 0.53 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.92 2wvx s GLU 668 Cb 0.41 -2.73 -0.00 0.00 0.10 0.00 0.00 34.13 31.91 2wvx s GLU 668 CO 0.14 0.61 -0.18 0.71 0.02 0.00 0.00 175.26 176.56 2wvx s TYR 669 N -1.19 2.71 0.00 1.61 1.51 -0.11 -4.57 117.35 117.31 2wvx s TYR 669 Ca 0.23 -1.07 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 2wvx s TYR 669 Cb -0.12 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2wvx s TYR 669 CO 0.14 -0.47 0.00 0.28 -1.11 0.00 0.00 175.55 174.40 2wvx n VAL 670 N 3.89 0.00 0.00 0.71 0.31 0.10 -0.77 118.33 122.57 2wvx n VAL 670 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2wvx n VAL 670 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2wvx n VAL 670 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wvx n GLY 672 N 5.00 0.32 3.34 2.92 0.00 0.13 -1.35 105.19 115.55 2wvx n GLY 672 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 2wvx n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wvx s THR 673 N 2.29 -0.15 0.45 2.61 -1.32 -1.23 -4.70 115.64 113.58 2wvx s THR 673 Ca 0.00 0.09 -0.22 0.00 -1.21 0.00 0.00 61.69 60.34 2wvx s THR 673 Cb 0.00 -0.69 -0.08 0.00 -1.51 0.00 0.00 72.50 70.22 2wvx s THR 673 CO 0.00 0.04 1.10 -2.16 -2.21 0.00 0.00 174.62 171.38 2wvx s PRO 674 N 1.68 3.87 -0.00 7.08 0.04 -1.26 -4.40 135.00 142.01 2wvx s PRO 674 Ca -0.08 1.59 0.15 0.00 0.04 0.00 0.00 61.00 62.69 2wvx s PRO 674 Cb -0.09 -2.35 -0.19 0.00 0.04 0.00 0.00 34.50 31.91 2wvx s PRO 674 CO -0.14 -0.42 0.71 -0.11 0.04 0.00 0.00 177.00 177.08 2wvx n LEU 675 N -0.52 0.83 -4.78 -3.56 7.94 0.08 -4.96 117.00 112.03 2wvx n LEU 675 Ca 0.07 0.38 -0.23 0.00 -1.11 0.00 0.00 56.01 55.13 2wvx n LEU 675 Cb 0.50 0.14 -0.05 0.00 0.53 0.00 0.00 43.42 44.54 2wvx n LEU 675 CO 0.45 0.28 -0.21 -0.36 -1.11 0.00 0.00 177.39 176.44 2wvx s PHE 676 N -2.74 3.02 0.28 1.96 0.08 -1.26 -4.89 117.98 114.42 2wvx s PHE 676 Ca -0.04 -0.13 0.25 0.00 0.12 0.00 0.00 56.93 57.13 2wvx s PHE 676 Cb 0.08 -1.36 1.15 0.00 -0.57 0.00 0.00 43.02 42.32 2wvx s PHE 676 CO 0.82 0.54 1.94 0.87 -0.10 0.00 0.00 175.22 179.29 2wvx h LYS 677 N 1.68 0.00 -2.49 0.44 1.57 -1.30 -3.42 116.57 113.06 2wvx h LYS 677 Ca -0.47 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 2wvx h LYS 677 Cb 1.24 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 2wvx h LYS 677 CO 0.61 0.19 -0.16 0.21 -0.57 0.00 0.00 179.45 179.73 2wvx s LYS 678 N -3.92 0.55 -0.02 3.15 2.20 -0.97 -0.13 119.74 120.60 2wvx s LYS 678 Ca -0.01 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 2wvx s LYS 678 Cb 0.12 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2wvx s LYS 678 CO 0.62 -0.11 -0.03 0.00 -0.36 0.00 0.00 175.35 175.47 2wvx s ALA 679 N 0.77 0.40 -0.15 3.13 0.00 -0.62 -0.83 121.76 124.46 2wvx s ALA 679 Ca -0.04 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2wvx s ALA 679 Cb -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2wvx s ALA 679 CO -0.06 0.04 -0.20 0.99 0.00 0.00 0.00 175.76 176.53 2wvx s THR 680 N 0.33 1.94 -0.19 0.00 2.01 -0.05 0.60 115.64 120.28 2wvx s THR 680 Ca -0.03 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 2wvx s THR 680 Cb -0.07 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 2wvx s THR 680 CO -0.00 0.52 0.11 -0.76 -0.69 0.00 0.00 174.62 173.80 2wvx s LEU 681 N 1.03 4.12 -0.37 4.42 1.43 0.67 -1.10 118.68 128.89 2wvx s LEU 681 Ca -0.02 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 2wvx s LEU 681 Cb -0.14 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2wvx s LEU 681 CO -0.06 0.18 0.17 -1.00 0.23 0.00 0.00 176.35 175.88 2wvx s HIS 682 N 0.35 3.28 0.53 0.29 3.76 0.37 -0.65 115.29 123.23 2wvx s HIS 682 Ca 0.07 -1.35 -0.13 0.00 -0.15 0.00 0.00 55.06 53.49 2wvx s HIS 682 Cb -0.11 -2.51 -0.06 0.00 1.11 0.00 0.00 32.58 31.01 2wvx s HIS 682 CO -0.01 -0.74 0.96 -0.06 -0.85 0.00 0.00 174.74 174.03 2wvx s PHE 683 N 1.44 3.52 0.38 1.40 0.08 -0.02 -4.83 117.98 119.96 2wvx s PHE 683 Ca 0.01 1.32 0.32 0.00 0.12 0.00 0.00 56.93 58.70 2wvx s PHE 683 Cb -0.20 -2.70 1.61 0.00 -0.57 0.00 0.00 43.02 41.16 2wvx s PHE 683 CO 0.04 -0.44 2.10 0.93 -0.10 0.00 0.00 175.22 177.75 2wvx h GLU 684 N 0.51 0.00 0.00 0.44 5.08 -1.86 -1.97 114.58 116.78 2wvx h GLU 684 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2wvx h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wvx h GLU 684 CO 0.62 0.07 0.00 0.27 -1.00 0.00 0.00 179.01 178.97 2wvx n ASN 685 N -3.39 0.00 0.00 1.42 2.04 -1.26 -4.86 115.26 109.20 2wvx n ASN 685 Ca -0.01 -1.61 0.00 0.00 -0.44 0.00 0.00 54.58 52.52 2wvx n ASN 685 Cb 0.23 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 2wvx n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wvx n GLY 686 N 0.45 1.77 3.92 4.83 0.00 -0.74 -5.04 105.19 110.37 2wvx n GLY 686 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2wvx n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvx s ASN 687 N -3.38 6.29 0.07 1.61 0.01 -1.26 -4.90 114.94 113.37 2wvx s ASN 687 Ca 0.00 0.78 0.04 0.00 -0.71 0.00 0.00 52.86 52.96 2wvx s ASN 687 Cb 0.00 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 2wvx s ASN 687 CO 0.00 -0.47 -0.11 -0.44 -1.51 0.00 0.00 177.10 174.57 2wvx s SER 688 N -4.01 1.33 -0.09 -1.22 0.01 -1.26 -0.84 113.70 107.61 2wvx s SER 688 Ca 0.45 -0.65 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2wvx s SER 688 Cb -0.10 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2wvx s SER 688 CO 0.41 -0.17 -0.15 -0.22 0.41 0.00 0.00 173.24 173.52 2wvx s LEU 689 N -1.88 1.70 -0.20 2.44 2.96 0.18 -1.46 118.68 122.43 2wvx s LEU 689 Ca -0.03 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 2wvx s LEU 689 Cb -0.08 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 2wvx s LEU 689 CO 0.01 0.03 0.09 -0.69 -1.32 0.00 0.00 176.35 174.47 2wvx s VAL 690 N 0.84 5.03 -0.41 1.68 1.01 -0.26 -0.23 120.40 128.04 2wvx s VAL 690 Ca -0.10 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2wvx s VAL 690 Cb -0.15 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2wvx s VAL 690 CO 0.01 0.44 0.25 -0.63 0.00 0.00 0.00 175.10 175.17 2wvx s ILE 691 N 0.47 4.30 -0.25 2.22 1.01 0.20 -0.30 121.20 128.85 2wvx s ILE 691 Ca 0.05 -1.31 -0.08 0.00 0.00 0.00 0.00 60.65 59.32 2wvx s ILE 691 Cb -0.12 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2wvx s ILE 691 CO 0.00 -0.47 0.09 -0.62 0.00 0.00 0.00 174.94 173.94 2wvx s ASP 692 N 2.04 5.25 -0.42 3.58 2.15 0.11 -1.59 116.67 127.79 2wvx s ASP 692 Ca 0.03 -0.18 0.09 0.00 0.43 0.00 0.00 52.55 52.92 2wvx s ASP 692 Cb -0.22 -1.95 0.31 0.00 -0.30 0.00 0.00 42.92 40.75 2wvx s ASP 692 CO 0.03 -0.04 0.69 0.00 -0.17 0.00 0.00 175.17 175.68 2wvx n ALA 693 N 4.94 2.61 0.27 3.66 0.00 0.81 -0.04 120.51 132.75 2wvx n ALA 693 Ca -0.16 -3.65 0.12 0.00 0.00 0.00 0.00 53.44 49.75 2wvx n ALA 693 Cb 0.51 -0.87 0.74 0.00 0.00 0.00 0.00 19.45 19.84 2wvx n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wvx h PRO 694 N 3.43 0.00 -0.29 0.00 0.13 -1.75 -0.17 132.00 133.35 2wvx h PRO 694 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2wvx h PRO 694 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2wvx h PRO 694 CO 0.55 0.11 0.00 -1.71 -0.23 0.00 0.00 178.00 176.71 2wvx n ASN 695 N -3.73 1.78 -4.75 1.44 5.15 -1.26 -4.95 115.26 108.94 2wvx n ASN 695 Ca -0.02 -1.90 -0.41 0.00 -0.60 0.00 0.00 54.58 51.64 2wvx n ASN 695 Cb 0.21 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 2wvx n ASN 695 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2wvx n ASN 696 N 0.45 3.42 -3.11 1.20 2.85 -0.07 -4.75 115.26 115.24 2wvx n ASN 696 Ca 0.13 1.21 -0.08 0.00 -0.11 0.00 0.00 54.58 55.73 2wvx n ASN 696 Cb 0.30 -1.58 0.02 0.00 1.24 0.00 0.00 39.78 39.76 2wvx n ASN 696 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2wvx s SER 697 N -0.23 -0.03 0.40 1.20 1.04 -1.23 -4.85 113.70 110.00 2wvx s SER 697 Ca 0.55 -1.01 0.10 0.00 0.48 0.00 0.00 55.95 56.07 2wvx s SER 697 Cb -0.50 0.78 0.90 0.00 0.10 0.00 0.00 66.02 67.30 2wvx s SER 697 CO 0.63 -1.54 1.98 0.74 0.98 0.00 0.00 173.24 176.02 2wvx h THR 698 N 2.00 0.97 0.01 2.02 2.02 -1.96 -2.89 112.91 115.08 2wvx h THR 698 Ca -0.30 -0.19 -0.29 0.00 0.77 0.00 0.00 66.41 66.39 2wvx h THR 698 Cb 1.25 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2wvx h THR 698 CO 0.38 0.10 -1.69 -0.33 0.37 0.00 0.00 175.52 174.35 2wvx h GLU 699 N 0.56 0.02 -4.03 6.66 3.07 -1.96 -3.43 114.58 115.48 2wvx h GLU 699 Ca 0.28 -0.04 -0.77 0.00 -0.50 0.00 0.00 59.36 58.33 2wvx h GLU 699 Cb 0.37 0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 28.06 2wvx h GLU 699 CO -0.09 0.57 0.85 0.09 -1.40 0.00 0.00 179.01 179.04 2wvx n ASN 700 N -3.10 5.42 -0.40 1.42 5.03 -1.09 -4.22 115.26 118.32 2wvx n ASN 700 Ca -0.17 -3.02 0.04 0.00 0.87 0.00 0.00 54.58 52.30 2wvx n ASN 700 Cb 1.05 -1.46 0.07 0.00 -1.02 0.00 0.00 39.78 38.42 2wvx n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2wvx n PHE 701 N 3.85 0.16 -3.57 3.10 1.16 -0.95 -3.49 117.46 117.72 2wvx n PHE 701 Ca 0.29 -0.22 -0.34 0.00 -1.87 0.00 0.00 57.45 55.32 2wvx n PHE 701 Cb 0.40 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.21 2wvx n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2wvx s TYR 702 N -0.83 3.54 -0.42 2.97 2.02 -0.37 -4.73 117.35 119.52 2wvx s TYR 702 Ca 0.13 0.75 -0.21 0.00 -0.37 0.00 0.00 57.07 57.37 2wvx s TYR 702 Cb 0.08 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2wvx s TYR 702 CO 0.11 0.46 0.68 0.42 -1.57 0.00 0.00 175.55 175.66 2wvx s ILE 703 N -1.52 4.79 0.03 2.71 1.01 -1.26 -0.45 121.20 126.51 2wvx s ILE 703 Ca 0.37 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 61.17 2wvx s ILE 703 Cb -0.13 -4.21 -0.35 0.00 0.01 0.00 0.00 42.46 37.78 2wvx s ILE 703 CO 0.20 -0.57 1.00 -0.78 0.00 0.00 0.00 174.94 174.79 2wvx h ASP 704 N 8.81 0.84 -0.53 3.58 3.58 -0.60 -3.40 116.42 128.69 2wvx h ASP 704 Ca -0.25 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.28 2wvx h ASP 704 Cb 1.10 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2wvx h ASP 704 CO 0.90 1.69 0.00 -1.54 -2.88 0.00 0.00 179.24 177.41 2wvx n SER 705 N -3.75 0.00 -3.49 2.28 3.41 -1.22 -4.90 113.62 105.95 2wvx n SER 705 Ca -0.17 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.64 2wvx n SER 705 Cb 1.08 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 2wvx n SER 705 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wvx s SER 707 N -0.06 -0.49 -0.23 4.04 1.04 0.06 -0.94 113.70 117.11 2wvx s SER 707 Ca 0.00 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 2wvx s SER 707 Cb 0.00 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2wvx s SER 707 CO 0.00 -0.69 -0.02 0.12 0.98 0.00 0.00 173.24 173.63 2wvx s PHE 708 N -2.59 2.06 -1.45 5.02 2.19 -0.27 -0.41 117.98 122.53 2wvx s PHE 708 Ca -0.01 -1.56 -0.03 0.00 0.33 0.00 0.00 56.93 55.66 2wvx s PHE 708 Cb -0.01 -1.47 0.03 0.00 -1.31 0.00 0.00 43.02 40.25 2wvx s PHE 708 CO -0.04 -0.74 0.48 0.09 1.83 0.00 0.00 175.22 176.84 2wvx n ASN 709 N 4.76 -0.87 0.00 6.13 5.03 0.15 -1.47 115.26 128.99 2wvx n ASN 709 Ca -0.11 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.34 2wvx n ASN 709 Cb 0.45 -3.03 0.00 0.00 -1.02 0.00 0.00 39.78 36.17 2wvx n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvx n GLY 710 N -1.90 2.95 3.71 7.41 0.00 -1.26 -4.99 105.19 111.11 2wvx n GLY 710 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2wvx n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvx s ALA 711 N -1.67 3.27 0.17 4.61 0.00 -0.54 -4.98 121.76 122.61 2wvx s ALA 711 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 51.96 51.96 2wvx s ALA 711 Cb 0.00 -3.16 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 2wvx s ALA 711 CO 0.00 -0.21 1.69 -3.47 0.00 0.00 0.00 175.76 173.77 2wvx n ASP 712 N 3.95 3.65 -3.82 0.00 2.03 -1.26 -1.11 116.55 119.98 2wvx n ASP 712 Ca 0.03 1.06 -0.30 0.00 0.52 0.00 0.00 54.79 56.10 2wvx n ASP 712 Cb 0.51 -1.51 -0.15 0.00 -0.72 0.00 0.00 41.12 39.25 2wvx n ASP 712 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2wvx s HIS 713 N 1.31 2.39 -1.33 -0.67 5.65 -1.26 -4.87 115.29 116.50 2wvx s HIS 713 Ca 0.78 -2.23 0.22 0.00 0.25 0.00 0.00 55.06 54.08 2wvx s HIS 713 Cb -0.57 -2.12 -0.07 0.00 -1.18 0.00 0.00 32.58 28.63 2wvx s HIS 713 CO 0.35 -0.89 1.02 0.25 -0.65 0.00 0.00 174.74 174.83 2wvx n THR 714 N 4.48 0.00 -2.00 0.89 -2.24 -1.26 -4.65 114.28 109.50 2wvx n THR 714 Ca 0.01 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2wvx n THR 714 Cb 0.41 0.99 0.04 0.00 -2.10 0.00 0.00 70.33 69.67 2wvx n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wvx s LYS 715 N -2.83 2.95 -0.18 -0.78 1.02 -1.26 -3.65 119.74 115.01 2wvx s LYS 715 Ca 0.12 1.82 0.09 0.00 0.02 0.00 0.00 55.97 58.02 2wvx s LYS 715 Cb 0.17 -1.93 0.56 0.00 -0.52 0.00 0.00 37.83 36.11 2wvx s LYS 715 CO 0.76 -1.22 1.40 0.09 -0.92 0.00 0.00 175.35 175.46 2wvx n ASN 716 N -1.63 4.21 -3.82 2.83 5.03 -0.07 -4.90 115.26 116.92 2wvx n ASN 716 Ca 0.14 -2.71 -0.09 0.00 0.87 0.00 0.00 54.58 52.79 2wvx n ASN 716 Cb 0.50 -0.64 -0.07 0.00 -1.02 0.00 0.00 39.78 38.55 2wvx n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2wvx s TYR 717 N -2.23 0.09 0.10 3.10 1.13 -1.26 -4.48 117.35 113.79 2wvx s TYR 717 Ca 0.38 -0.49 0.10 0.00 -1.41 0.00 0.00 57.07 55.64 2wvx s TYR 717 Cb 0.29 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 2wvx s TYR 717 CO 0.11 -0.59 -0.25 -0.51 -2.51 0.00 0.00 175.55 171.80 2wvx s LEU 718 N -2.86 2.27 -0.14 -3.49 1.43 0.05 -4.96 118.68 110.99 2wvx s LEU 718 Ca 0.05 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 2wvx s LEU 718 Cb 0.04 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2wvx s LEU 718 CO -0.10 0.16 0.14 -0.13 0.23 0.00 0.00 176.35 176.65 2wvx s ARG 719 N -1.78 3.64 0.22 1.70 0.52 -1.26 -0.93 118.95 121.06 2wvx s ARG 719 Ca 0.11 -0.15 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 2wvx s ARG 719 Cb -0.10 -3.25 0.28 0.00 0.52 0.00 0.00 34.95 32.40 2wvx s ARG 719 CO 0.04 0.65 1.64 1.25 0.02 0.00 0.00 175.30 178.90 2wvx h HIS 720 N 5.42 -0.22 -0.82 -0.53 -0.00 -0.92 -1.18 115.15 116.90 2wvx h HIS 720 Ca -0.51 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 59.89 2wvx h HIS 720 Cb 1.21 0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 28.78 2wvx h HIS 720 CO 0.71 -0.24 0.42 0.93 -0.00 0.00 0.00 177.93 179.76 2wvx h GLU 721 N 0.04 1.16 -0.40 5.26 3.07 -1.95 -1.78 114.58 119.98 2wvx h GLU 721 Ca 0.32 -0.15 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 2wvx h GLU 721 Cb 0.52 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2wvx h GLU 721 CO -0.62 0.87 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.31 2wvx h ASP 722 N 1.16 0.79 -0.26 1.42 3.32 -1.72 -2.73 116.42 118.41 2wvx h ASP 722 Ca 0.29 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 57.00 2wvx h ASP 722 Cb 0.07 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2wvx h ASP 722 CO -0.04 0.98 0.06 -0.07 -1.72 0.00 0.00 179.24 178.45 2wvx h LEU 723 N 0.59 0.03 -2.68 1.55 3.38 -0.97 -2.46 115.31 114.76 2wvx h LEU 723 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wvx h LEU 723 Cb 0.64 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wvx h LEU 723 CO 0.04 0.05 -0.00 -0.26 0.09 0.00 0.00 178.44 178.36 2wvx h PHE 724 N 0.16 0.00 0.00 1.13 -1.00 -1.20 -0.35 116.94 115.69 2wvx h PHE 724 Ca 0.12 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 2wvx h PHE 724 Cb 0.11 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 2wvx h PHE 724 CO -0.15 0.00 -0.01 0.87 -1.61 0.00 0.00 178.31 177.41 2wvx h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.13 -3.44 116.57 115.08 2wvx h LYS 725 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wvx h LYS 725 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2wvx h LYS 725 CO 0.00 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 2wvx n GLY 726 N 0.33 -3.12 0.00 3.86 0.00 -0.14 -4.84 105.19 101.28 2wvx n GLY 726 Ca 0.01 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2wvx n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 727 N -0.51 0.36 2.94 -0.02 0.00 -0.54 -4.93 105.19 102.49 2wvx n GLY 727 Ca 0.00 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 2wvx n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wvx s THR 728 N -0.41 0.67 -0.16 2.61 2.01 -1.26 -1.11 115.64 117.99 2wvx s THR 728 Ca 0.00 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.73 2wvx s THR 728 Cb 0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2wvx s THR 728 CO 0.00 0.24 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.51 2wvx s ILE 729 N 0.66 3.90 -0.19 1.82 1.01 0.59 0.32 121.20 129.30 2wvx s ILE 729 Ca -0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 2wvx s ILE 729 Cb -0.13 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 2wvx s ILE 729 CO 0.01 0.49 -0.06 -0.75 0.00 0.00 0.00 174.94 174.62 2wvx s LYS 730 N 0.42 3.43 -0.21 2.79 2.47 0.45 0.04 119.74 129.13 2wvx s LYS 730 Ca -0.04 -0.62 -0.01 0.00 -1.56 0.00 0.00 55.97 53.74 2wvx s LYS 730 Cb -0.14 -2.91 0.01 0.00 -1.46 0.00 0.00 37.83 33.33 2wvx s LYS 730 CO 0.03 -0.04 -0.12 0.08 0.16 0.00 0.00 175.35 175.46 2wvx s VAL 731 N 1.05 2.64 0.63 4.02 1.01 0.94 -0.76 120.40 129.93 2wvx s VAL 731 Ca 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2wvx s VAL 731 Cb -0.15 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.07 2wvx s VAL 731 CO -0.00 0.43 0.91 -1.81 0.00 0.00 0.00 175.10 174.63 2wvx s ASP 732 N 1.35 5.17 0.00 3.32 1.01 -0.12 -4.30 116.67 123.11 2wvx s ASP 732 Ca 0.04 0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.70 2wvx s ASP 732 Cb -0.14 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.57 2wvx s ASP 732 CO -0.08 -1.31 0.00 -0.24 0.21 0.00 0.00 175.17 173.75 2wvx n SER 734 N -2.66 0.00 -0.64 0.27 2.88 0.41 0.17 113.62 114.05 2wvx n SER 734 Ca 0.07 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.72 2wvx n SER 734 Cb 0.59 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.43 2wvx n SER 734 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2wvx n ASN 735 N 0.00 1.94 -4.22 -3.46 6.94 -1.26 -1.24 115.26 113.96 2wvx n ASN 735 Ca 0.00 -1.71 -0.26 0.00 -0.02 0.00 0.00 54.58 52.59 2wvx n ASN 735 Cb 0.00 -0.09 -0.15 0.00 -2.36 0.00 0.00 39.78 37.18 2wvx n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wvx s ARG 736 N -1.83 1.57 0.39 -3.83 0.52 -1.26 -4.94 118.95 109.57 2wvx s ARG 736 Ca 0.34 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.51 2wvx s ARG 736 Cb 0.19 -1.56 -0.09 0.00 0.52 0.00 0.00 34.95 34.01 2wvx s ARG 736 CO 0.29 0.42 1.19 -1.25 0.02 0.00 0.00 175.30 175.98 2wvx s PRO 737 N -0.67 4.10 -0.53 3.54 0.04 -1.26 -4.79 135.00 135.43 2wvx s PRO 737 Ca 0.08 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 2wvx s PRO 737 Cb -0.08 -2.75 0.08 0.00 0.04 0.00 0.00 34.50 31.79 2wvx s PRO 737 CO -0.00 -0.30 0.61 1.21 0.04 0.00 0.00 177.00 178.56 2wvx s ASN 738 N -1.01 6.20 0.00 6.66 3.84 -1.26 -4.93 114.94 124.43 2wvx s ASN 738 Ca 0.56 -1.21 0.22 0.00 0.21 0.00 0.00 52.86 52.63 2wvx s ASN 738 Cb -0.32 -2.27 1.19 0.00 -0.55 0.00 0.00 41.25 39.29 2wvx s ASN 738 CO 0.41 -0.93 1.71 0.18 -2.79 0.00 0.00 177.10 175.68 2wvx n LEU 739 N 6.01 0.00 -0.02 3.21 4.32 -1.26 -3.23 117.00 126.03 2wvx n LEU 739 Ca -0.09 0.19 0.01 0.00 -0.02 0.00 0.00 56.01 56.10 2wvx n LEU 739 Cb 0.44 -0.19 -0.09 0.00 -1.62 0.00 0.00 43.42 41.97 2wvx n LEU 739 CO 0.54 -0.05 -0.72 0.59 -1.22 0.00 0.00 177.39 176.53 2wvx n ASN 740 N -1.19 2.42 -4.73 -1.43 3.02 -1.26 -4.96 115.26 107.14 2wvx n ASN 740 Ca 0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 2wvx n ASN 740 Cb 0.14 1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 40.47 2wvx n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wvx s ARG 741 N -2.56 4.60 0.00 3.52 3.52 -1.20 -3.72 118.95 123.11 2wvx s ARG 741 Ca -0.05 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 2wvx s ARG 741 Cb 0.05 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2wvx s ARG 741 CO 0.45 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.41 2wvx n GLY 742 N 2.35 0.49 0.02 8.12 0.00 -1.24 -4.69 105.19 110.24 2wvx n GLY 742 Ca 0.04 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.23 2wvx n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvx n THR 743 N -3.32 0.00 -2.20 2.61 -2.24 -1.24 -4.63 114.28 103.25 2wvx n THR 743 Ca 0.00 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 2wvx n THR 743 Cb 0.24 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 2wvx n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wvx s LYS 744 N -2.12 3.68 0.26 -0.78 3.01 -1.26 -4.86 119.74 117.67 2wvx s LYS 744 Ca 0.05 1.00 -0.03 0.00 -1.01 0.00 0.00 55.97 55.99 2wvx s LYS 744 Cb 0.09 -2.09 0.54 0.00 -1.01 0.00 0.00 37.83 35.36 2wvx s LYS 744 CO 0.49 -0.50 1.68 1.49 0.51 0.00 0.00 175.35 179.03 2wvx h GLU 745 N 0.56 0.28 0.00 1.68 4.22 -2.02 -0.81 114.58 118.49 2wvx h GLU 745 Ca -0.46 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2wvx h GLU 745 Cb 1.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2wvx h GLU 745 CO 0.60 0.19 0.00 0.39 -2.18 0.00 0.00 179.01 178.01 2wvx n GLU 746 N -5.14 0.14 -1.75 1.92 -0.58 -1.26 -4.91 120.64 109.06 2wvx n GLU 746 Ca 0.16 0.32 -0.41 0.00 -0.42 0.00 0.00 57.16 56.82 2wvx n GLU 746 Cb 0.52 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 29.64 2wvx n GLU 746 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2wvx n ASP 747 N -1.99 6.25 -4.78 1.62 8.00 -0.31 -4.88 116.55 120.45 2wvx n ASP 747 Ca 0.03 -2.85 -0.33 0.00 0.71 0.00 0.00 54.79 52.35 2wvx n ASP 747 Cb 0.24 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 39.72 2wvx n ASP 747 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2wvx s PRO 749 N 1.72 2.22 0.22 -0.24 0.02 -1.26 -0.89 135.00 136.80 2wvx s PRO 749 Ca 0.54 -2.43 -0.31 0.00 0.02 0.00 0.00 61.00 58.82 2wvx s PRO 749 Cb 0.15 -1.53 -0.11 0.00 0.02 0.00 0.00 34.50 33.03 2wvx s PRO 749 CO -0.06 -0.40 1.62 -0.47 -0.33 0.00 0.00 177.00 177.35 2wvx s TYR 750 N -2.89 2.92 -0.03 6.54 5.04 -1.26 -5.03 117.35 122.65 2wvx s TYR 750 Ca 0.03 0.61 0.03 0.00 -2.44 0.00 0.00 57.07 55.30 2wvx s TYR 750 Cb 0.01 -4.03 -0.00 0.00 0.35 0.00 0.00 41.96 38.29 2wvx s TYR 750 CO 0.02 -3.71 -0.11 -1.12 -1.34 0.00 0.00 175.55 169.28 2wvx s SER 751 N 0.91 1.43 0.31 4.32 0.01 -1.26 -4.63 113.70 114.79 2wvx s SER 751 Ca 0.69 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.72 2wvx s SER 751 Cb -0.47 -0.34 0.49 0.00 0.21 0.00 0.00 66.02 65.92 2wvx s SER 751 CO 0.37 0.10 1.98 0.15 0.41 0.00 0.00 173.24 176.24 2wvx h PHE 752 N 6.25 0.98 -0.35 2.43 3.57 -1.40 -1.19 116.94 127.24 2wvx h PHE 752 Ca -0.33 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.26 2wvx h PHE 752 Cb 1.17 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2wvx h PHE 752 CO 0.43 0.61 0.24 0.77 -2.23 0.00 0.00 178.31 178.14 2wvx h SER 753 N 1.06 0.14 0.06 0.41 0.02 -1.91 -2.73 113.55 110.59 2wvx h SER 753 Ca 0.29 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 2wvx h SER 753 Cb -0.10 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wvx h SER 753 CO -0.07 0.09 -0.93 0.11 -1.14 0.00 0.00 176.83 174.90 2wvx h LYS 754 N 0.16 0.12 0.00 3.45 1.57 -1.66 -3.51 116.57 116.71 2wvx h LYS 754 Ca 0.16 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wvx h LYS 754 Cb 0.43 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wvx h LYS 754 CO -0.02 1.10 0.00 -1.91 -0.57 0.00 0.00 179.45 178.04