#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 4.10 -0.01 4.39 2.15 -1.26 -4.98 116.67 121.06 2wvx s ASP 21 Ca 0.00 -0.25 0.09 0.00 0.43 0.00 0.00 52.55 52.82 2wvx s ASP 21 Cb 0.00 -1.32 -0.12 0.00 -0.30 0.00 0.00 42.92 41.18 2wvx s ASP 21 CO 0.00 0.24 0.29 0.79 -0.17 0.00 0.00 175.17 176.32 2wvx n TRP 22 N 3.01 0.00 0.25 -5.34 8.01 -1.26 -4.57 117.44 117.54 2wvx n TRP 22 Ca -0.18 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.13 2wvx n TRP 22 Cb 0.53 -0.10 0.67 0.00 -2.01 0.00 0.00 31.31 30.39 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 0.63 -0.44 -0.99 1.35 -1.93 -1.80 112.91 109.74 2wvx h THR 23 Ca 0.00 -0.64 0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2wvx h THR 23 Cb 0.31 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 2wvx h THR 23 CO 0.00 0.14 0.40 0.06 -0.25 0.00 0.00 175.52 175.87 2wvx h GLN 24 N 0.00 0.00 -0.01 4.72 3.07 -2.02 -0.31 115.11 120.57 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 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2wvx h GLN 24 CO 0.02 0.00 -0.40 0.66 0.09 0.00 0.00 178.83 179.20 2wvx n TYR 25 N -3.95 0.00 -2.99 0.06 4.01 -0.67 -4.89 117.16 108.73 2wvx n TYR 25 Ca 0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 2wvx n TYR 25 Cb 0.59 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.44 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 -2.67 4.97 -0.46 -0.72 1.01 -0.13 -4.13 120.40 118.27 2wvx s VAL 26 Ca 0.19 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 2wvx s VAL 26 Cb 0.18 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.62 2wvx s VAL 26 CO 0.60 0.14 0.27 0.21 0.00 0.00 0.00 175.10 176.32 2wvx s ASN 27 N 1.01 5.33 0.18 3.32 2.47 -1.26 -4.83 114.94 121.16 2wvx s ASN 27 Ca 0.37 -2.18 0.16 0.00 0.42 0.00 0.00 52.86 51.63 2wvx s ASN 27 Cb -0.17 -1.86 0.78 0.00 -1.45 0.00 0.00 41.25 38.55 2wvx s ASN 27 CO 0.15 -0.53 1.50 -2.65 -3.72 0.00 0.00 177.10 171.85 2wvx n PRO 28 N 4.41 0.10 -2.82 0.43 -0.02 -1.26 -4.90 135.00 130.94 2wvx n PRO 28 Ca -0.01 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 2wvx n PRO 28 Cb 0.41 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 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 -3.94 4.08 0.00 2.45 1.43 -1.26 -3.76 118.68 117.68 2wvx s LEU 29 Ca 0.01 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2wvx s LEU 29 Cb 0.06 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2wvx s LEU 29 CO 0.22 -1.29 0.00 0.61 0.23 0.00 0.00 176.35 176.12 2wvx n GLY 31 N 5.16 0.00 0.12 -3.19 0.00 0.84 -4.35 105.19 103.77 2wvx n GLY 31 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 0.81 -4.01 1.61 3.41 -0.89 -1.99 113.62 112.55 2wvx n SER 32 Ca 0.00 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.79 2wvx n SER 32 Cb 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 -2.29 3.73 -4.07 4.33 7.27 -0.84 -0.99 117.38 124.51 2wvx n GLN 33 Ca 0.05 -3.81 -0.14 0.00 0.07 0.00 0.00 57.00 53.17 2wvx n GLN 33 Cb 0.38 -2.85 -0.13 0.00 2.41 0.00 0.00 30.24 30.04 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 0.58 0.28 1.69 0.01 -1.26 -4.39 113.70 111.36 2wvx s SER 34 Ca 0.38 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2wvx s SER 34 Cb 0.06 -0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.22 2wvx s SER 34 CO 0.02 -0.07 0.05 0.42 0.41 0.00 0.00 173.24 174.07 2wvx s THR 35 N -0.65 1.01 0.37 1.44 -4.23 -0.97 -4.92 115.64 107.69 2wvx s THR 35 Ca -0.04 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 2wvx s THR 35 Cb -0.05 -2.62 0.30 0.00 1.34 0.00 0.00 72.50 71.47 2wvx s THR 35 CO -0.00 -0.10 1.95 0.15 -0.54 0.00 0.00 174.62 176.08 2wvx h PHE 36 N 2.28 0.71 0.00 3.99 3.57 -2.01 -3.07 116.94 122.41 2wvx h PHE 36 Ca -0.39 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 60.90 2wvx h PHE 36 Cb 1.24 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 2wvx h PHE 36 CO 0.55 0.35 -1.31 0.93 -2.23 0.00 0.00 178.31 176.60 2wvx h GLU 37 N 0.68 0.00 -2.36 1.11 3.07 -1.97 -3.42 114.58 111.69 2wvx h GLU 37 Ca 0.33 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.94 2wvx h GLU 37 Cb 0.39 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 27.97 2wvx h GLU 37 CO -0.11 0.61 -0.57 -1.17 -1.40 0.00 0.00 179.01 176.37 2wvx s LEU 38 N -6.26 -0.30 0.18 1.33 2.96 -1.16 -4.35 118.68 111.09 2wvx s LEU 38 Ca -0.02 0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.61 2wvx s LEU 38 Cb 0.09 0.65 -0.08 0.00 0.50 0.00 0.00 46.19 47.35 2wvx s LEU 38 CO 0.81 -0.31 0.93 -0.55 -1.32 0.00 0.00 176.35 175.91 2wvx s SER 39 N 2.41 7.56 -0.25 3.68 0.15 -1.22 -2.29 113.70 123.73 2wvx s SER 39 Ca 0.08 1.85 0.10 0.00 0.70 0.00 0.00 55.95 58.68 2wvx s SER 39 Cb -0.15 -2.59 0.45 0.00 -1.71 0.00 0.00 66.02 62.02 2wvx s SER 39 CO -0.13 0.08 1.31 0.35 1.20 0.00 0.00 173.24 176.06 2wvx n THR 40 N 2.00 2.38 0.00 6.45 -2.24 -1.26 -3.77 114.28 117.84 2wvx n THR 40 Ca -0.01 -3.16 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 2wvx n THR 40 Cb 0.48 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.09 3.17 3.76 3.38 0.00 -0.93 -1.87 105.19 111.61 2wvx n GLY 41 Ca 0.27 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.50 -4.79 1.61 3.02 -0.98 -1.25 115.26 111.36 2wvx n ASN 42 Ca 0.00 -0.84 -0.22 0.00 -0.03 0.00 0.00 54.58 53.49 2wvx n ASN 42 Cb 0.00 -3.91 -0.05 0.00 -0.61 0.00 0.00 39.78 35.20 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 -3.66 2.95 0.26 3.41 -4.23 -0.84 -4.58 115.64 108.95 2wvx s THR 43 Ca 0.09 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 2wvx s THR 43 Cb -0.04 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 2wvx s THR 43 CO 0.82 -0.11 -0.06 -0.72 -0.54 0.00 0.00 174.62 174.01 2wvx s TYR 44 N -2.43 1.84 -0.57 3.99 1.13 -1.26 -4.03 117.35 116.02 2wvx s TYR 44 Ca 0.41 -0.71 -0.28 0.00 -1.41 0.00 0.00 57.07 55.08 2wvx s TYR 44 Cb -0.02 -1.02 0.01 0.00 -1.10 0.00 0.00 41.96 39.82 2wvx s TYR 44 CO 0.25 0.24 1.48 -1.25 -2.51 0.00 0.00 175.55 173.76 2wvx s PRO 45 N -3.73 3.22 -0.62 -3.49 0.05 -1.25 -4.93 135.00 124.25 2wvx s PRO 45 Ca 0.28 0.48 -0.25 0.00 0.05 0.00 0.00 61.00 61.56 2wvx s PRO 45 Cb 0.03 -4.16 0.04 0.00 0.05 0.00 0.00 34.50 30.46 2wvx s PRO 45 CO 0.10 -2.04 1.08 0.00 0.05 0.00 0.00 177.00 176.20 2wvx s ALA 46 N 6.43 3.02 -0.43 8.56 0.00 -1.26 -4.44 121.76 133.64 2wvx s ALA 46 Ca 0.54 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 2wvx s ALA 46 Cb -0.11 -3.95 0.02 0.00 0.00 0.00 0.00 23.12 19.08 2wvx s ALA 46 CO 0.24 -2.72 0.64 0.42 0.00 0.00 0.00 175.76 174.34 2wvx s ILE 47 N 4.61 4.83 -0.04 0.00 -1.09 -0.19 -4.78 121.20 124.54 2wvx s ILE 47 Ca 0.33 0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 2wvx s ILE 47 Cb -0.11 -4.19 0.11 0.00 -1.58 0.00 0.00 42.46 36.69 2wvx s ILE 47 CO 0.18 -0.56 0.93 0.00 -1.23 0.00 0.00 174.94 174.27 2wvx s ALA 48 N 2.81 -1.86 0.68 9.38 0.00 -0.72 -1.47 121.76 130.58 2wvx s ALA 48 Ca 0.23 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2wvx s ALA 48 Cb -0.14 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 2wvx s ALA 48 CO 0.18 -0.65 1.06 1.03 0.00 0.00 0.00 175.76 177.39 2wvx s ARG 49 N -2.88 3.07 0.19 0.00 1.81 -1.26 -4.61 118.95 115.27 2wvx s ARG 49 Ca 0.05 0.70 -0.33 0.00 -1.72 0.00 0.00 55.73 54.43 2wvx s ARG 49 Cb -0.01 -2.03 -0.14 0.00 -0.45 0.00 0.00 34.95 32.32 2wvx s ARG 49 CO -0.08 -0.94 1.40 -2.30 -0.68 0.00 0.00 175.30 172.71 2wvx n PRO 50 N -2.98 1.79 -2.25 3.54 -0.02 -1.26 -1.23 135.00 132.59 2wvx n PRO 50 Ca 0.07 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2wvx n PRO 50 Cb 0.55 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.30 -1.30 0.00 6.00 8.01 -0.12 -4.95 117.44 127.38 2wvx n TRP 51 Ca 0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 2wvx n TRP 51 Cb 0.28 -2.51 0.00 0.00 -2.01 0.00 0.00 31.31 27.07 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 -0.67 -2.69 1.77 6.99 0.00 -0.36 -0.66 105.19 109.56 2wvx n GLY 52 Ca -0.13 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 0.32 -4.94 1.61 3.02 -0.94 -4.17 115.26 110.16 2wvx n ASN 54 Ca 0.00 0.57 -0.27 0.00 -0.03 0.00 0.00 54.58 54.86 2wvx n ASN 54 Cb 0.00 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 0.80 3.48 0.01 3.10 0.08 -1.01 -4.74 117.98 119.70 2wvx s PHE 55 Ca 0.48 0.25 0.07 0.00 0.12 0.00 0.00 56.93 57.85 2wvx s PHE 55 Cb -0.68 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 2wvx s PHE 55 CO 0.34 0.42 -0.21 -1.58 -0.10 0.00 0.00 175.22 174.09 2wvx s TRP 56 N -1.84 1.87 -0.04 0.36 0.52 -0.54 -0.95 118.94 118.31 2wvx s TRP 56 Ca 0.37 -0.37 -0.12 0.00 0.02 0.00 0.00 56.10 56.01 2wvx s TRP 56 Cb -0.11 -1.16 0.02 0.00 -1.15 0.00 0.00 33.47 31.07 2wvx s TRP 56 CO 0.29 0.03 0.27 -0.08 0.02 0.00 0.00 176.95 177.48 2wvx s THR 57 N -0.65 0.04 0.50 2.01 -1.32 -0.31 -1.02 115.64 114.90 2wvx s THR 57 Ca 0.08 -0.36 -0.23 0.00 -1.21 0.00 0.00 61.69 59.97 2wvx s THR 57 Cb -0.08 -0.51 -0.06 0.00 -1.51 0.00 0.00 72.50 70.33 2wvx s THR 57 CO 0.01 -0.20 1.38 -2.16 -2.21 0.00 0.00 174.62 171.44 2wvx s PRO 58 N -0.84 3.39 -0.25 7.08 0.04 -1.26 -0.52 135.00 142.64 2wvx s PRO 58 Ca -0.09 2.29 0.01 0.00 0.04 0.00 0.00 61.00 63.25 2wvx s PRO 58 Cb -0.05 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.11 2wvx s PRO 58 CO 0.02 -1.01 -0.10 -1.14 0.04 0.00 0.00 177.00 174.81 2wvx s GLN 59 N -2.71 2.54 -0.13 4.56 0.74 0.25 -4.59 119.66 120.32 2wvx s GLN 59 Ca 0.67 -1.16 0.15 0.00 0.05 0.00 0.00 55.36 55.07 2wvx s GLN 59 Cb -0.41 -2.90 -0.24 0.00 1.10 0.00 0.00 33.01 30.56 2wvx s GLN 59 CO 0.51 -0.47 0.35 0.25 -0.55 0.00 0.00 175.29 175.37 2wvx n THR 60 N 4.55 1.49 -1.65 -0.34 -2.24 0.27 -0.84 114.28 115.52 2wvx n THR 60 Ca -0.16 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.48 2wvx n THR 60 Cb 0.45 -0.73 0.04 0.00 -2.10 0.00 0.00 70.33 67.99 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 -5.31 1.66 0.00 3.38 0.00 -0.35 -4.74 107.32 101.96 2wvx s GLY 61 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2wvx s GLY 61 CO 0.83 0.32 0.01 0.28 0.00 0.00 0.00 173.10 174.54 2wvx n LYS 62 N -3.06 0.00 0.00 2.90 4.76 -1.26 -4.91 118.16 116.59 2wvx n LYS 62 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2wvx n LYS 62 Cb 0.54 -0.21 0.00 0.00 -1.84 0.00 0.00 35.03 33.52 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 1.91 0.00 3.70 0.72 0.00 -1.26 -4.88 105.19 105.38 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 -0.38 7.17 0.59 1.61 -1.08 -1.26 -4.90 116.67 118.43 2wvx s ASP 65 Ca 0.00 1.77 0.36 0.00 -0.52 0.00 0.00 52.55 54.15 2wvx s ASP 65 Cb 0.00 -2.57 1.80 0.00 -1.46 0.00 0.00 42.92 40.70 2wvx s ASP 65 CO 0.00 -0.46 2.16 1.23 0.52 0.00 0.00 175.17 178.62 2wvx h GLY 66 N 7.53 0.00 -7.76 2.66 0.00 -1.90 -3.25 103.07 100.35 2wvx h GLY 66 Ca -0.37 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.25 2wvx h GLY 66 CO 0.83 0.00 1.65 -0.98 0.00 0.00 0.00 176.54 178.04 2wvx s TRP 67 N -4.02 3.25 -0.29 5.60 0.51 -1.26 -4.39 118.94 118.34 2wvx s TRP 67 Ca -0.02 -1.96 0.21 0.00 -2.12 0.00 0.00 56.10 52.21 2wvx s TRP 67 Cb 0.12 -4.47 0.13 0.00 -0.81 0.00 0.00 33.47 28.44 2wvx s TRP 67 CO 0.51 -1.54 1.31 -0.56 -0.51 0.00 0.00 176.95 176.15 2wvx h GLN 68 N 7.31 0.00 -3.42 4.98 3.07 -1.93 -3.35 115.11 121.77 2wvx h GLN 68 Ca 0.36 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.80 2wvx h GLN 68 Cb 0.87 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.09 2wvx h GLN 68 CO 1.32 0.12 -0.71 -0.47 0.09 0.00 0.00 178.83 179.18 2wvx s TYR 69 N -3.19 -0.00 0.02 0.06 5.04 -1.26 -0.57 117.35 117.45 2wvx s TYR 69 Ca 0.03 0.23 0.05 0.00 -2.44 0.00 0.00 57.07 54.94 2wvx s TYR 69 Cb 0.07 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.10 2wvx s TYR 69 CO 0.74 -0.13 -0.16 0.95 -1.34 0.00 0.00 175.55 175.61 2wvx s THR 70 N 1.35 1.25 0.37 4.34 -4.23 -1.26 -4.77 115.64 112.69 2wvx s THR 70 Ca -0.06 -0.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 2wvx s THR 70 Cb -0.13 -1.09 0.15 0.00 1.34 0.00 0.00 72.50 72.77 2wvx s THR 70 CO -0.04 0.16 1.89 0.22 -0.54 0.00 0.00 174.62 176.31 2wvx h TYR 71 N 5.19 0.32 -0.01 3.99 5.03 -1.42 -2.37 116.97 127.70 2wvx h TYR 71 Ca -0.38 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.89 2wvx h TYR 71 Cb 1.17 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.36 2wvx h TYR 71 CO 0.48 0.43 -0.01 0.25 -1.32 0.00 0.00 178.16 177.99 2wvx n THR 72 N -4.25 0.00 -2.41 1.81 -2.24 -1.26 -4.85 114.28 101.07 2wvx n THR 72 Ca -0.00 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 2wvx n THR 72 Cb 0.28 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.02 3.26 -0.57 6.98 0.00 -0.89 -4.98 121.76 123.54 2wvx s ALA 73 Ca 0.41 0.90 0.23 0.00 0.00 0.00 0.00 51.96 53.50 2wvx s ALA 73 Cb 0.21 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2wvx s ALA 73 CO 0.35 -0.32 0.99 0.09 0.00 0.00 0.00 175.76 176.88 2wvx n ASN 74 N 0.54 0.60 -4.06 0.00 3.02 -1.26 -4.97 115.26 109.12 2wvx n ASN 74 Ca 0.02 -0.20 -0.16 0.00 -0.03 0.00 0.00 54.58 54.21 2wvx n ASN 74 Cb 0.46 0.86 -0.13 0.00 -0.61 0.00 0.00 39.78 40.36 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 -3.22 0.64 -0.12 3.52 1.02 -1.26 -1.39 119.74 118.93 2wvx s LYS 75 Ca 0.03 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.38 2wvx s LYS 75 Cb 0.14 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.87 2wvx s LYS 75 CO 0.81 0.13 0.01 0.42 -0.92 0.00 0.00 175.35 175.80 2wvx s ILE 76 N -0.87 4.40 0.00 2.17 1.01 -0.38 -4.32 121.20 123.22 2wvx s ILE 76 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2wvx s ILE 76 Cb -0.07 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2wvx s ILE 76 CO 0.01 0.56 0.54 -2.11 0.00 0.00 0.00 174.94 173.94 2wvx n ARG 77 N 2.64 -0.35 -3.62 2.79 1.85 -0.02 -1.08 116.66 118.88 2wvx n ARG 77 Ca -0.18 -0.61 -0.01 0.00 -1.00 0.00 0.00 57.85 56.04 2wvx n ARG 77 Cb 0.53 -0.96 -0.02 0.00 -1.05 0.00 0.00 32.46 30.96 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 -0.28 -0.25 2.89 0.00 -1.22 -4.82 107.32 103.50 2wvx s GLY 78 Ca 0.00 1.61 -0.05 0.00 0.00 0.00 0.00 44.72 46.28 2wvx s GLY 78 CO 0.00 0.50 0.00 -1.36 0.00 0.00 0.00 173.10 172.25 2wvx s PHE 79 N -2.15 3.04 -0.05 1.90 0.40 0.00 -0.58 117.98 120.54 2wvx s PHE 79 Ca 0.12 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.54 2wvx s PHE 79 Cb 0.01 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 2wvx s PHE 79 CO -0.04 -0.55 -0.20 0.21 0.70 0.00 0.00 175.22 175.34 2wvx s LYS 80 N 1.48 2.44 -0.06 0.44 2.20 0.32 -1.67 119.74 124.89 2wvx s LYS 80 Ca 0.04 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 2wvx s LYS 80 Cb -0.15 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.90 2wvx s LYS 80 CO -0.01 0.53 1.08 -1.14 -0.36 0.00 0.00 175.35 175.45 2wvx s GLN 81 N -0.51 4.43 0.09 4.03 0.74 -0.08 -1.16 119.66 127.19 2wvx s GLN 81 Ca 0.07 1.52 0.03 0.00 0.05 0.00 0.00 55.36 57.02 2wvx s GLN 81 Cb -0.11 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 2wvx s GLN 81 CO 0.01 -0.30 -0.08 -0.08 -0.55 0.00 0.00 175.29 174.29 2wvx s THR 82 N 1.81 0.77 -0.00 -0.34 -1.32 -0.13 -3.58 115.64 112.85 2wvx s THR 82 Ca 0.52 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 2wvx s THR 82 Cb -0.22 -1.42 0.01 0.00 -1.51 0.00 0.00 72.50 69.36 2wvx s THR 82 CO 0.22 -0.69 0.82 1.41 -2.21 0.00 0.00 174.62 174.17 2wvx n HIS 83 N 0.38 0.00 -2.21 9.09 8.25 -1.25 -2.41 115.22 127.05 2wvx n HIS 83 Ca -0.15 -0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 2wvx n HIS 83 Cb 0.59 -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 -0.66 4.33 0.11 -0.41 0.74 -1.26 -4.87 119.66 117.64 2wvx s GLN 84 Ca 0.01 2.01 0.20 0.00 0.05 0.00 0.00 55.36 57.63 2wvx s GLN 84 Cb 0.01 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.69 2wvx s GLN 84 CO 0.00 -0.44 0.88 -0.35 -0.55 0.00 0.00 175.29 174.83 2wvx n PRO 85 N 4.25 0.62 -3.50 1.67 -0.04 -1.26 -4.99 135.00 131.75 2wvx n PRO 85 Ca 0.11 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2wvx n PRO 85 Cb 0.43 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 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 -5.47 -0.37 0.50 3.54 1.04 -1.26 -4.56 113.70 107.12 2wvx s SER 86 Ca -0.02 0.00 0.25 0.00 0.48 0.00 0.00 55.95 56.66 2wvx s SER 86 Cb 0.09 0.39 1.32 0.00 0.10 0.00 0.00 66.02 67.92 2wvx s SER 86 CO 0.81 -0.63 2.02 1.55 0.98 0.00 0.00 173.24 177.97 2wvx h PRO 87 N 2.00 0.00 -0.11 4.02 0.13 -1.81 -0.49 132.00 135.74 2wvx h PRO 87 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2wvx h PRO 87 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wvx h PRO 87 CO 0.31 0.15 -0.21 -1.49 -0.23 0.00 0.00 178.00 176.53 2wvx h TRP 88 N 0.00 0.42 -0.31 1.56 4.06 -1.95 -3.29 115.95 116.44 2wvx h TRP 88 Ca -0.00 -0.15 -0.15 0.00 2.06 0.00 0.00 58.89 60.65 2wvx h TRP 88 Cb 0.41 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2wvx h TRP 88 CO 0.00 0.82 -0.40 0.82 -3.56 0.00 0.00 178.44 176.12 2wvx h ILE 89 N -0.10 1.29 -0.45 1.49 1.08 -1.91 -3.49 117.51 115.41 2wvx h ILE 89 Ca 0.00 -1.58 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 2wvx h ILE 89 Cb 0.80 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2wvx h ILE 89 CO 0.05 0.51 0.00 -3.20 -0.69 0.00 0.00 178.15 174.82 2wvx n ASN 90 N -4.04 -1.34 -4.49 1.72 2.85 -0.21 -4.81 115.26 104.94 2wvx n ASN 90 Ca -0.02 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.22 2wvx n ASN 90 Cb 0.54 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.45 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 3.13 0.14 1.20 -1.08 -1.26 -4.23 116.67 110.56 2wvx s ASP 91 Ca 0.00 -1.24 -0.19 0.00 -0.52 0.00 0.00 52.55 50.60 2wvx s ASP 91 Cb 0.00 -0.24 0.05 0.00 -1.46 0.00 0.00 42.92 41.27 2wvx s ASP 91 CO 0.00 -0.35 0.48 -0.72 0.52 0.00 0.00 175.17 175.10 2wvx s TYR 92 N -2.90 -0.33 -1.08 -5.34 1.13 -1.26 -2.45 117.35 105.12 2wvx s TYR 92 Ca 0.32 0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 56.02 2wvx s TYR 92 Cb 0.05 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 41.26 2wvx s TYR 92 CO 0.14 -0.76 0.91 0.41 -2.51 0.00 0.00 175.55 173.75 2wvx n GLY 93 N -0.28 -0.58 2.99 5.49 0.00 -1.23 -3.93 105.19 107.63 2wvx n GLY 93 Ca -0.16 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.92 1.58 0.23 1.61 -2.07 -1.26 -4.47 119.66 110.36 2wvx s GLN 94 Ca 0.16 -0.35 -0.13 0.00 -1.82 0.00 0.00 55.36 53.22 2wvx s GLN 94 Cb -0.02 -1.39 -0.00 0.00 -1.09 0.00 0.00 33.01 30.51 2wvx s GLN 94 CO 0.69 -0.05 0.46 -0.59 -1.32 0.00 0.00 175.29 174.48 2wvx s PHE 95 N 0.91 0.31 0.12 9.60 -0.71 -1.23 -4.52 117.98 122.46 2wvx s PHE 95 Ca -0.10 -0.67 -0.04 0.00 -1.04 0.00 0.00 56.93 55.08 2wvx s PHE 95 Cb -0.15 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 2wvx s PHE 95 CO 0.01 -0.95 0.11 -1.54 -1.34 0.00 0.00 175.22 171.51 2wvx s SER 96 N -3.00 0.25 0.31 1.98 1.04 -0.44 -0.90 113.70 112.94 2wvx s SER 96 Ca 0.20 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.65 2wvx s SER 96 Cb -0.00 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2wvx s SER 96 CO 0.07 -0.74 0.12 0.00 0.98 0.00 0.00 173.24 173.66 2wvx n ILE 97 N -0.08 0.00 -4.02 -1.02 3.06 -0.67 -1.00 119.36 115.63 2wvx n ILE 97 Ca -0.09 -1.83 -0.13 0.00 -2.50 0.00 0.00 62.75 58.21 2wvx n ILE 97 Cb 0.63 0.67 -0.13 0.00 0.54 0.00 0.00 39.64 41.35 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 -3.18 0.31 0.20 9.51 0.04 -1.26 -0.82 135.00 139.80 2wvx s PRO 99 Ca 0.17 -0.37 -0.08 0.00 0.04 0.00 0.00 61.00 60.75 2wvx s PRO 99 Cb 0.01 -0.16 -0.01 0.00 0.04 0.00 0.00 34.50 34.37 2wvx s PRO 99 CO 0.12 0.03 0.31 0.96 0.04 0.00 0.00 177.00 178.46 2wvx s ILE 100 N -0.70 0.03 0.14 0.56 -4.36 -0.26 -4.96 121.20 111.66 2wvx s ILE 100 Ca -0.05 -1.54 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2wvx s ILE 100 Cb -0.05 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 2wvx s ILE 100 CO -0.00 -0.14 -0.03 0.68 0.24 0.00 0.00 174.94 175.70 2wvx s VAL 101 N -4.03 0.70 0.00 8.37 -7.23 -1.26 -1.41 120.40 115.53 2wvx s VAL 101 Ca 0.24 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2wvx s VAL 101 Cb 0.03 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2wvx s VAL 101 CO 0.06 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 2wvx n GLY 102 N -0.16 0.87 3.84 2.32 0.00 0.01 -4.93 105.19 107.14 2wvx n GLY 102 Ca -0.09 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 4.05 -0.69 1.61 -1.52 -1.26 -4.77 119.66 117.08 2wvx s GLN 103 Ca 0.00 0.63 -0.27 0.00 -1.95 0.00 0.00 55.36 53.77 2wvx s GLN 103 Cb 0.00 -2.74 0.03 0.00 -0.22 0.00 0.00 33.01 30.08 2wvx s GLN 103 CO 0.00 0.34 1.25 -1.25 -0.25 0.00 0.00 175.29 175.38 2wvx s PRO 104 N -2.36 3.28 -0.05 2.91 0.04 -1.26 -4.98 135.00 132.58 2wvx s PRO 104 Ca 0.45 -0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.42 2wvx s PRO 104 Cb -0.14 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 2wvx s PRO 104 CO 0.20 -2.01 -0.21 0.14 0.04 0.00 0.00 177.00 175.16 2wvx s VAL 105 N 5.47 1.74 -0.14 -0.36 -7.23 -1.26 -5.01 120.40 113.61 2wvx s VAL 105 Ca 0.37 -0.89 0.17 0.00 -1.81 0.00 0.00 61.98 59.82 2wvx s VAL 105 Cb -0.08 -1.49 -0.24 0.00 0.56 0.00 0.00 36.38 35.13 2wvx s VAL 105 CO 0.18 0.49 0.30 0.33 -0.31 0.00 0.00 175.10 176.09 2wvx n PHE 106 N 3.11 0.31 -1.60 2.82 7.35 -1.26 -4.66 117.46 123.53 2wvx n PHE 106 Ca -0.18 0.11 -0.48 0.00 -0.76 0.00 0.00 57.45 56.14 2wvx n PHE 106 Cb 0.52 -1.01 -0.04 0.00 0.35 0.00 0.00 39.48 39.30 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 -2.79 1.64 0.25 -2.13 -0.08 -1.26 -4.83 116.55 107.35 2wvx n ASP 107 Ca -0.25 1.14 0.16 0.00 -1.51 0.00 0.00 54.79 54.33 2wvx n ASP 107 Cb 1.06 -1.25 0.62 0.00 2.34 0.00 0.00 41.12 43.89 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 3.67 0.00 0.02 -0.67 4.11 -1.94 -1.46 114.58 118.31 2wvx h GLU 108 Ca -0.44 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.84 2wvx h GLU 108 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2wvx h GLU 108 CO 0.72 0.00 -0.81 0.93 0.07 0.00 0.00 179.01 179.92 2wvx h GLU 109 N 0.00 0.04 0.00 1.06 5.08 -1.96 -3.34 114.58 115.46 2wvx h GLU 109 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wvx h GLU 109 Cb 0.51 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2wvx h GLU 109 CO 0.00 1.03 -0.07 0.87 -1.00 0.00 0.00 179.01 179.85 2wvx h LYS 110 N -0.89 0.00 -0.00 2.33 6.56 -1.88 -2.17 116.57 120.52 2wvx h LYS 110 Ca -0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2wvx h LYS 110 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2wvx h LYS 110 CO -0.09 0.07 -0.39 2.89 -2.06 0.00 0.00 179.45 179.87 2wvx n ARG 111 N -4.27 0.20 -1.43 3.15 1.85 -0.57 -4.95 116.66 110.64 2wvx n ARG 111 Ca -0.03 -0.11 -0.33 0.00 -1.00 0.00 0.00 57.85 56.39 2wvx n ARG 111 Cb 0.15 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.14 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 -2.88 2.20 -0.01 2.89 0.00 -0.82 -4.92 121.76 118.23 2wvx s ALA 112 Ca 0.15 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.72 2wvx s ALA 112 Cb 0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2wvx s ALA 112 CO 0.64 -1.73 -0.09 0.45 0.00 0.00 0.00 175.76 175.03 2wvx s SER 113 N -2.62 1.10 0.46 0.00 0.15 -0.24 -4.95 113.70 107.60 2wvx s SER 113 Ca 0.68 -0.17 -0.22 0.00 0.70 0.00 0.00 55.95 56.94 2wvx s SER 113 Cb -0.22 -0.13 -0.11 0.00 -1.71 0.00 0.00 66.02 63.85 2wvx s SER 113 CO 0.48 0.11 0.66 0.79 1.20 0.00 0.00 173.24 176.48 2wvx n TRP 114 N 2.87 -0.13 -4.03 3.44 7.02 -1.26 -1.25 117.44 124.10 2wvx n TRP 114 Ca -0.14 0.55 -0.12 0.00 -1.02 0.00 0.00 57.50 56.77 2wvx n TRP 114 Cb 0.57 -2.04 -0.04 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 -1.49 0.76 0.05 -5.99 -0.71 -0.49 -0.92 117.98 109.20 2wvx s PHE 115 Ca 0.65 -1.09 -0.00 0.00 -1.04 0.00 0.00 56.93 55.45 2wvx s PHE 115 Cb -0.55 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 2wvx s PHE 115 CO 0.56 -1.16 -0.03 0.00 -1.34 0.00 0.00 175.22 173.25 2wvx s ALA 116 N -3.20 0.49 0.37 1.99 0.00 -1.26 -4.79 121.76 115.36 2wvx s ALA 116 Ca 0.27 -1.11 0.21 0.00 0.00 0.00 0.00 51.96 51.33 2wvx s ALA 116 Cb -0.01 0.23 1.12 0.00 0.00 0.00 0.00 23.12 24.46 2wvx s ALA 116 CO 0.16 -0.31 1.96 0.45 0.00 0.00 0.00 175.76 178.02 2wvx h HIS 117 N 3.42 0.00 0.00 0.00 3.86 -1.95 0.22 115.15 120.70 2wvx h HIS 117 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2wvx h HIS 117 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2wvx h HIS 117 CO 0.56 0.22 0.00 1.63 0.86 0.00 0.00 177.93 181.20 2wvx n LYS 118 N -3.81 0.35 -0.70 2.45 5.02 -1.26 -2.07 118.16 118.14 2wvx n LYS 118 Ca -0.02 0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 2wvx n LYS 118 Cb 0.31 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.62 4.85 3.08 0.72 0.00 0.06 -5.01 105.19 109.51 2wvx n GLY 119 Ca 0.11 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.18 0.97 -0.18 1.61 2.12 -0.88 -1.29 118.70 117.85 2wvx s GLU 120 Ca 0.43 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 2wvx s GLU 120 Cb 0.39 -0.94 0.05 0.00 0.26 0.00 0.00 34.13 33.89 2wvx s GLU 120 CO -0.00 0.25 -0.04 0.08 -0.54 0.00 0.00 175.26 175.01 2wvx s VAL 121 N -0.37 1.13 -0.23 3.70 1.01 0.40 -4.96 120.40 121.07 2wvx s VAL 121 Ca 0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2wvx s VAL 121 Cb -0.05 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2wvx s VAL 121 CO -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 2wvx s ALA 122 N 1.61 2.72 0.26 5.51 0.00 -1.26 -0.99 121.76 129.61 2wvx s ALA 122 Ca -0.01 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.68 2wvx s ALA 122 Cb -0.16 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2wvx s ALA 122 CO -0.07 -0.60 0.01 0.95 0.00 0.00 0.00 175.76 176.05 2wvx s THR 123 N 1.40 1.08 0.41 0.00 -4.23 -0.18 -4.48 115.64 109.64 2wvx s THR 123 Ca 0.03 -2.03 0.32 0.00 -1.18 0.00 0.00 61.69 58.83 2wvx s THR 123 Cb -0.15 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.56 2wvx s THR 123 CO -0.05 -0.23 2.12 -0.65 -0.54 0.00 0.00 174.62 175.27 2wvx h PRO 124 N 2.38 0.00 -0.01 3.99 0.11 -1.88 -3.17 132.00 133.43 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 0.08 -0.18 2.48 -0.21 0.00 0.00 178.00 180.82 2wvx n TYR 125 N -3.46 0.00 -3.64 0.65 4.11 -1.26 -1.76 117.16 111.80 2wvx n TYR 125 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.79 2wvx n TYR 125 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.49 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 -1.33 -0.94 -0.03 -3.48 5.04 -1.20 -4.31 117.35 111.11 2wvx s TYR 126 Ca 0.10 2.01 0.02 0.00 -2.44 0.00 0.00 57.07 56.76 2wvx s TYR 126 Cb 0.09 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.89 2wvx s TYR 126 CO 0.25 -0.46 -0.09 -0.47 -1.34 0.00 0.00 175.55 173.44 2wvx s TYR 127 N 1.12 0.94 0.00 4.97 5.04 -1.26 -1.01 117.35 127.16 2wvx s TYR 127 Ca -0.06 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 2wvx s TYR 127 Cb -0.05 -0.68 -0.01 0.00 0.35 0.00 0.00 41.96 41.58 2wvx s TYR 127 CO -0.12 -0.11 -0.05 0.21 -1.34 0.00 0.00 175.55 174.15 2wvx s LYS 128 N 0.24 0.38 -0.05 4.97 2.20 -0.16 -4.21 119.74 123.11 2wvx s LYS 128 Ca -0.04 -0.24 -0.14 0.00 -0.36 0.00 0.00 55.97 55.19 2wvx s LYS 128 Cb -0.09 -0.33 0.03 0.00 -1.51 0.00 0.00 37.83 35.92 2wvx s LYS 128 CO 0.01 0.09 0.33 0.54 -0.36 0.00 0.00 175.35 175.95 2wvx s VAL 129 N -0.28 0.04 -0.29 4.02 0.11 -0.29 -0.45 120.40 123.26 2wvx s VAL 129 Ca 0.00 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 58.62 2wvx s VAL 129 Cb -0.03 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2wvx s VAL 129 CO -0.00 -0.18 0.18 -0.47 -3.33 0.00 0.00 175.10 171.30 2wvx s TYR 130 N -0.88 3.20 -0.59 1.54 5.04 -0.41 -1.16 117.35 124.08 2wvx s TYR 130 Ca -0.10 -0.07 -0.21 0.00 -2.44 0.00 0.00 57.07 54.25 2wvx s TYR 130 Cb -0.04 -2.38 0.07 0.00 0.35 0.00 0.00 41.96 39.96 2wvx s TYR 130 CO 0.03 -0.25 0.84 -0.51 -1.34 0.00 0.00 175.55 174.32 2wvx s LEU 131 N 1.72 4.64 0.22 6.97 1.43 0.29 -4.61 118.68 129.34 2wvx s LEU 131 Ca 0.07 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2wvx s LEU 131 Cb -0.16 -2.48 0.21 0.00 0.03 0.00 0.00 46.19 43.78 2wvx s LEU 131 CO 0.10 -1.23 1.65 0.00 0.23 0.00 0.00 176.35 177.09 2wvx h ALA 132 N 9.33 0.91 0.00 4.21 0.00 -1.32 -1.35 119.26 131.04 2wvx h ALA 132 Ca -0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2wvx h ALA 132 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2wvx h ALA 132 CO 1.11 0.62 0.00 0.39 0.00 0.00 0.00 179.25 181.37 2wvx n GLU 133 N -4.12 0.22 0.00 0.00 1.02 -1.26 -2.84 120.64 113.66 2wvx n GLU 133 Ca 0.00 0.29 0.06 0.00 -0.02 0.00 0.00 57.16 57.49 2wvx n GLU 133 Cb 0.42 -1.81 0.01 0.00 -0.02 0.00 0.00 31.44 30.04 2wvx n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wvx n HIS 134 N -2.20 0.00 -3.97 -0.32 8.25 -1.01 -4.97 115.22 111.00 2wvx n HIS 134 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 2wvx n HIS 134 Cb 0.34 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 0.01 -2.03 -4.22 0.41 2.03 -0.54 -4.71 116.55 107.51 2wvx n ASP 135 Ca 0.05 -0.93 -0.30 0.00 0.52 0.00 0.00 54.79 54.13 2wvx n ASP 135 Cb 0.25 -3.31 -0.16 0.00 -0.72 0.00 0.00 41.12 37.17 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 -3.63 1.88 -0.11 5.18 1.01 -1.12 -3.61 121.20 120.79 2wvx s ILE 136 Ca 0.30 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 2wvx s ILE 136 Cb -0.16 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 2wvx s ILE 136 CO 0.87 0.52 0.43 -0.69 0.00 0.00 0.00 174.94 176.08 2wvx s VAL 137 N 0.04 5.19 -0.11 2.92 1.01 -0.70 -0.55 120.40 128.20 2wvx s VAL 137 Ca -0.08 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2wvx s VAL 137 Cb -0.14 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2wvx s VAL 137 CO 0.05 0.38 -0.12 -0.89 0.00 0.00 0.00 175.10 174.51 2wvx s THR 138 N 0.34 3.14 0.46 3.92 2.01 -0.31 0.03 115.64 125.23 2wvx s THR 138 Ca 0.24 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2wvx s THR 138 Cb -0.15 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2wvx s THR 138 CO 0.09 0.54 0.08 -0.62 -0.69 0.00 0.00 174.62 174.03 2wvx n GLU 139 N 3.24 0.65 0.00 4.92 1.02 -0.31 -1.14 120.64 129.03 2wvx n GLU 139 Ca -0.18 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.34 2wvx n GLU 139 Cb 0.53 1.51 0.00 0.00 -0.02 0.00 0.00 31.44 33.46 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 -1.09 0.00 -2.77 2.62 -2.24 -0.56 -0.70 114.28 109.54 2wvx n THR 141 Ca -0.13 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 2wvx n THR 141 Cb 0.64 0.00 -0.01 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 3.57 0.00 -0.78 0.04 -1.26 -1.94 135.00 134.63 2wvx s PRO 142 Ca 0.00 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2wvx s PRO 142 Cb 0.00 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2wvx s PRO 142 CO 0.00 -0.13 0.00 0.25 0.04 0.00 0.00 177.00 177.16 2wvx n THR 143 N -2.03 0.00 -0.24 1.26 -2.24 0.66 -4.70 114.28 106.99 2wvx n THR 143 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2wvx n THR 143 Cb 0.55 -0.70 0.19 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.04 0.00 -0.78 5.08 -1.94 -3.35 114.58 114.63 2wvx h GLU 144 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wvx h GLU 144 Cb 0.00 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2wvx h GLU 144 CO 0.00 0.76 0.00 0.54 -1.00 0.00 0.00 179.01 179.31 2wvx n ARG 145 N -4.36 4.34 -4.44 2.33 1.74 -1.26 -2.21 116.66 112.80 2wvx n ARG 145 Ca 0.08 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.90 2wvx n ARG 145 Cb 0.09 -0.42 -0.10 0.00 -1.02 0.00 0.00 32.46 31.01 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 -0.63 2.35 -0.10 7.54 0.00 -1.26 -3.22 121.76 126.45 2wvx s ALA 146 Ca 0.00 -1.89 -0.16 0.00 0.00 0.00 0.00 51.96 49.91 2wvx s ALA 146 Cb 0.00 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.90 2wvx s ALA 146 CO 0.00 -0.34 0.41 0.54 0.00 0.00 0.00 175.76 176.37 2wvx s VAL 147 N -3.36 0.02 -0.21 0.00 0.11 0.37 -0.25 120.40 117.08 2wvx s VAL 147 Ca 0.35 -0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 2wvx s VAL 147 Cb 0.08 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2wvx s VAL 147 CO 0.15 -0.09 0.08 -0.22 -3.33 0.00 0.00 175.10 171.68 2wvx s LEU 148 N -0.45 3.69 -0.09 2.54 2.96 -0.82 -1.21 118.68 125.29 2wvx s LEU 148 Ca -0.06 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2wvx s LEU 148 Cb -0.03 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2wvx s LEU 148 CO 0.03 0.08 0.10 -0.36 -1.32 0.00 0.00 176.35 174.88 2wvx s PHE 149 N 0.95 3.46 -0.16 5.38 0.40 -0.17 -1.50 117.98 126.34 2wvx s PHE 149 Ca 0.04 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 2wvx s PHE 149 Cb -0.14 -1.87 0.03 0.00 0.51 0.00 0.00 43.02 41.55 2wvx s PHE 149 CO 0.03 0.65 -0.09 0.50 0.70 0.00 0.00 175.22 177.00 2wvx s ARG 150 N -1.15 1.83 -0.20 0.44 3.52 0.13 -0.70 118.95 122.82 2wvx s ARG 150 Ca 0.16 -0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 55.10 2wvx s ARG 150 Cb -0.12 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 2wvx s ARG 150 CO 0.06 -0.36 0.07 -0.06 -0.81 0.00 0.00 175.30 174.20 2wvx s PHE 151 N 1.54 3.22 -0.35 5.12 0.40 0.33 -1.16 117.98 127.07 2wvx s PHE 151 Ca 0.02 0.00 -0.10 0.00 -0.60 0.00 0.00 56.93 56.25 2wvx s PHE 151 Cb -0.15 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.29 2wvx s PHE 151 CO -0.09 0.06 0.18 0.99 0.70 0.00 0.00 175.22 177.07 2wvx s THR 152 N 0.63 4.49 0.20 0.64 2.01 0.10 -1.00 115.64 122.72 2wvx s THR 152 Ca 0.04 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 2wvx s THR 152 Cb -0.13 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2wvx s THR 152 CO 0.01 -0.15 0.40 -0.36 -0.69 0.00 0.00 174.62 173.83 2wvx s PHE 153 N 1.55 3.48 0.83 4.92 0.08 -0.42 -1.71 117.98 126.72 2wvx s PHE 153 Ca 0.02 0.37 -0.07 0.00 0.12 0.00 0.00 56.93 57.38 2wvx s PHE 153 Cb -0.19 -1.88 0.17 0.00 -0.57 0.00 0.00 43.02 40.55 2wvx s PHE 153 CO 0.06 0.37 1.14 -1.25 -0.10 0.00 0.00 175.22 175.44 2wvx s PRO 154 N -3.29 1.14 0.03 0.24 0.04 -1.24 -0.77 135.00 131.16 2wvx s PRO 154 Ca 0.39 -0.91 -0.30 0.00 0.04 0.00 0.00 61.00 60.22 2wvx s PRO 154 Cb -0.11 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2wvx s PRO 154 CO 0.29 -1.92 1.94 -2.00 0.04 0.00 0.00 177.00 175.35 2wvx s GLU 155 N -5.47 4.14 -0.27 4.56 2.12 -1.25 -4.35 118.70 118.19 2wvx s GLU 155 Ca 0.71 2.58 -0.25 0.00 0.36 0.00 0.00 54.97 58.36 2wvx s GLU 155 Cb -0.04 -4.15 0.09 0.00 0.26 0.00 0.00 34.13 30.30 2wvx s GLU 155 CO 0.48 -0.95 0.86 1.21 -0.54 0.00 0.00 175.26 176.33 2wvx s ASN 156 N 4.34 -0.61 0.46 -1.70 3.84 -0.29 -4.90 114.94 116.07 2wvx s ASN 156 Ca 0.87 1.16 0.26 0.00 0.21 0.00 0.00 52.86 55.36 2wvx s ASN 156 Cb -0.42 1.17 0.61 0.00 -0.55 0.00 0.00 41.25 42.06 2wvx s ASN 156 CO 0.41 -0.22 1.71 0.44 -2.79 0.00 0.00 177.10 176.64 2wvx h ASP 157 N 4.55 0.00 -2.66 -4.21 3.32 -1.88 -0.10 116.42 115.44 2wvx h ASP 157 Ca -0.28 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.16 2wvx h ASP 157 Cb 1.17 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.31 2wvx h ASP 157 CO 0.09 0.00 -0.68 1.41 -1.72 0.00 0.00 179.24 178.34 2wvx n HIS 158 N -3.07 2.40 -4.07 4.55 8.25 -1.26 -4.18 115.22 117.84 2wvx n HIS 158 Ca 0.03 -4.06 -0.36 0.00 -0.26 0.00 0.00 57.72 53.08 2wvx n HIS 158 Cb 0.47 -0.44 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 2wvx n HIS 158 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wvx s SER 159 N -1.46 5.79 0.14 0.41 0.01 -0.75 -0.81 113.70 117.03 2wvx s SER 159 Ca 0.31 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.83 2wvx s SER 159 Cb 0.04 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2wvx s SER 159 CO -0.13 0.32 -0.03 -0.31 0.41 0.00 0.00 173.24 173.50 2wvx s TYR 160 N -0.53 1.07 -0.08 2.43 1.51 -0.50 -0.59 117.35 120.65 2wvx s TYR 160 Ca 0.11 -0.97 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 2wvx s TYR 160 Cb -0.12 -0.61 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2wvx s TYR 160 CO 0.02 -0.18 -0.12 0.08 -1.11 0.00 0.00 175.55 174.24 2wvx s VAL 161 N -3.64 1.18 -0.17 0.71 1.01 -0.00 -1.10 120.40 118.39 2wvx s VAL 161 Ca 0.18 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 2wvx s VAL 161 Cb 0.06 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2wvx s VAL 161 CO -0.00 0.37 0.32 -0.69 0.00 0.00 0.00 175.10 175.10 2wvx s VAL 162 N 0.81 5.28 -0.18 2.92 1.01 -1.26 -1.57 120.40 127.40 2wvx s VAL 162 Ca -0.12 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2wvx s VAL 162 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2wvx s VAL 162 CO 0.02 0.35 -0.07 -0.69 0.00 0.00 0.00 175.10 174.71 2wvx s VAL 163 N 0.69 3.36 -0.22 2.92 1.01 0.76 -4.16 120.40 124.76 2wvx s VAL 163 Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2wvx s VAL 163 Cb -0.13 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2wvx s VAL 163 CO 0.05 0.47 -0.15 -0.62 0.00 0.00 0.00 175.10 174.85 2wvx s ASP 164 N 0.91 3.81 0.00 3.32 -1.08 -0.17 -1.14 116.67 122.32 2wvx s ASP 164 Ca -0.01 -1.02 0.22 0.00 -0.52 0.00 0.00 52.55 51.22 2wvx s ASP 164 Cb -0.15 -1.52 0.68 0.00 -1.46 0.00 0.00 42.92 40.47 2wvx s ASP 164 CO 0.01 -0.10 1.52 0.00 0.52 0.00 0.00 175.17 177.12 2wvx n ALA 165 N 4.53 2.50 -0.55 3.66 0.00 -0.70 -1.33 120.51 128.62 2wvx n ALA 165 Ca -0.17 -0.62 0.07 0.00 0.00 0.00 0.00 53.44 52.72 2wvx n ALA 165 Cb 0.46 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 0.59 -1.42 -2.48 0.00 3.01 -1.26 -4.53 117.46 111.38 2wvx n PHE 166 Ca 0.17 0.73 0.00 0.00 1.01 0.00 0.00 57.45 59.36 2wvx n PHE 166 Cb 0.40 -1.29 0.00 0.00 -0.01 0.00 0.00 39.48 38.58 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 -2.85 0.03 -0.98 4.37 5.75 -1.26 -3.84 116.55 117.78 2wvx n ASP 167 Ca -0.01 -0.46 -0.12 0.00 -0.01 0.00 0.00 54.79 54.19 2wvx n ASP 167 Cb 0.26 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.45 -0.87 0.00 0.11 4.01 -0.98 -3.64 118.16 116.34 2wvx n LYS 168 Ca 0.00 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.70 2wvx n LYS 168 Cb 0.00 -4.94 0.00 0.00 -0.51 0.00 0.00 35.03 29.58 2wvx n LYS 168 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wvx n GLY 169 N -1.43 1.06 3.34 0.72 0.00 0.50 -4.70 105.19 104.69 2wvx n GLY 169 Ca -0.12 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 2.00 -0.08 1.61 1.04 -0.15 -3.45 113.70 114.68 2wvx s SER 170 Ca 0.00 -1.77 -0.11 0.00 0.48 0.00 0.00 55.95 54.55 2wvx s SER 170 Cb 0.00 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2wvx s SER 170 CO 0.00 -1.05 0.29 -0.47 0.98 0.00 0.00 173.24 172.99 2wvx s TYR 171 N -3.37 -0.26 -0.10 5.02 5.04 -0.60 -2.40 117.35 120.70 2wvx s TYR 171 Ca 0.37 0.58 -0.12 0.00 -2.44 0.00 0.00 57.07 55.45 2wvx s TYR 171 Cb 0.02 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.46 2wvx s TYR 171 CO 0.25 -0.24 0.33 -1.50 -1.34 0.00 0.00 175.55 173.06 2wvx s ILE 172 N -0.40 0.02 -0.05 3.14 1.10 -0.77 -1.14 121.20 123.10 2wvx s ILE 172 Ca -0.05 -0.12 -0.02 0.00 -0.51 0.00 0.00 60.65 59.95 2wvx s ILE 172 Cb -0.03 -0.51 0.04 0.00 0.15 0.00 0.00 42.46 42.10 2wvx s ILE 172 CO 0.02 -0.07 0.10 -0.75 -2.11 0.00 0.00 174.94 172.13 2wvx s LYS 173 N -0.21 0.04 -0.14 3.50 2.20 0.22 -1.46 119.74 123.88 2wvx s LYS 173 Ca -0.04 0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.72 2wvx s LYS 173 Cb -0.03 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 2wvx s LYS 173 CO 0.01 -0.18 0.40 0.42 -0.36 0.00 0.00 175.35 175.64 2wvx s ILE 174 N 1.21 5.24 -0.61 5.43 1.01 -0.13 -1.08 121.20 132.26 2wvx s ILE 174 Ca -0.08 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.37 2wvx s ILE 174 Cb -0.12 -3.74 0.15 0.00 0.01 0.00 0.00 42.46 38.76 2wvx s ILE 174 CO -0.05 0.35 0.38 -0.63 0.00 0.00 0.00 174.94 174.99 2wvx s ILE 175 N 0.61 2.89 0.36 2.92 1.01 0.34 -4.87 121.20 124.47 2wvx s ILE 175 Ca 0.22 -3.63 0.14 0.00 0.00 0.00 0.00 60.65 57.38 2wvx s ILE 175 Cb -0.14 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.50 2wvx s ILE 175 CO 0.07 -0.89 1.85 1.55 0.00 0.00 0.00 174.94 177.52 2wvx h PRO 176 N 6.16 0.00 0.00 2.79 0.13 -1.97 -1.01 132.00 138.10 2wvx h PRO 176 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2wvx h PRO 176 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2wvx h PRO 176 CO 0.71 0.35 0.00 -0.85 -0.23 0.00 0.00 178.00 177.98 2wvx n GLU 177 N -4.03 0.07 -0.05 0.86 0.00 -1.26 -1.45 120.64 114.78 2wvx n GLU 177 Ca -0.02 0.27 0.02 0.00 0.00 0.00 0.00 57.16 57.43 2wvx n GLU 177 Cb 0.39 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.36 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 -1.38 1.89 -4.12 3.44 1.02 -0.44 -4.99 120.64 116.07 2wvx n GLU 178 Ca 0.03 -1.51 -0.28 0.00 -0.02 0.00 0.00 57.16 55.39 2wvx n GLU 178 Cb 0.08 -0.98 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.57 0.20 -4.13 1.62 3.02 -0.53 -4.72 115.26 110.15 2wvx n ASN 179 Ca 0.03 -1.13 -0.17 0.00 -0.03 0.00 0.00 54.58 53.29 2wvx n ASN 179 Cb 0.41 -2.39 -0.12 0.00 -0.61 0.00 0.00 39.78 37.07 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 -6.93 0.72 -0.05 3.52 2.20 -0.87 -1.34 119.74 116.99 2wvx s LYS 180 Ca 0.01 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 2wvx s LYS 180 Cb -0.00 -0.64 0.01 0.00 -1.51 0.00 0.00 37.83 35.68 2wvx s LYS 180 CO 0.94 0.14 -0.12 0.42 -0.36 0.00 0.00 175.35 176.37 2wvx s ILE 181 N -1.29 1.08 0.37 5.43 1.01 -0.20 -0.50 121.20 127.10 2wvx s ILE 181 Ca -0.05 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2wvx s ILE 181 Cb -0.10 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 2wvx s ILE 181 CO 0.02 0.33 -0.05 0.27 0.00 0.00 0.00 174.94 175.51 2wvx s ILE 182 N 0.40 2.15 -0.09 2.92 -4.36 -0.24 -0.34 121.20 121.63 2wvx s ILE 182 Ca -0.09 -2.11 -0.31 0.00 -0.26 0.00 0.00 60.65 57.88 2wvx s ILE 182 Cb -0.13 -2.80 0.11 0.00 1.25 0.00 0.00 42.46 40.89 2wvx s ILE 182 CO 0.02 -0.12 1.38 -0.83 0.24 0.00 0.00 174.94 175.64 2wvx s GLY 183 N -3.66 -0.26 0.03 6.27 0.00 -0.71 -0.61 107.32 108.40 2wvx s GLY 183 Ca 0.34 0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 2wvx s GLY 183 CO 0.17 5.93 -0.02 -2.52 0.00 0.00 0.00 173.10 176.66 2wvx s TYR 184 N -2.01 0.37 0.09 1.90 -0.85 -0.29 -0.99 117.35 115.57 2wvx s TYR 184 Ca 0.30 -0.76 0.09 0.00 -0.52 0.00 0.00 57.07 56.17 2wvx s TYR 184 Cb 0.01 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.05 2wvx s TYR 184 CO -0.03 -0.29 -0.23 -0.08 -1.52 0.00 0.00 175.55 173.39 2wvx s THR 185 N -2.65 1.90 0.00 -3.49 -1.32 -0.63 -1.55 115.64 107.89 2wvx s THR 185 Ca -0.05 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 2wvx s THR 185 Cb -0.01 -1.68 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2wvx s THR 185 CO -0.05 0.11 0.00 0.35 -2.21 0.00 0.00 174.62 172.82 2wvx n THR 186 N 1.34 0.00 -1.67 5.08 -2.24 -1.22 -1.29 114.28 114.27 2wvx n THR 186 Ca -0.18 -0.28 -0.52 0.00 -2.27 0.00 0.00 64.05 60.81 2wvx n THR 186 Cb 0.53 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.63 1.63 -4.18 -0.78 0.63 -1.24 -4.80 116.66 107.29 2wvx n ARG 187 Ca 0.00 0.60 -0.17 0.00 -0.92 0.00 0.00 57.85 57.36 2wvx n ARG 187 Cb 0.00 -2.34 -0.06 0.00 0.45 0.00 0.00 32.46 30.51 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 2.68 1.20 -0.17 6.15 4.22 -1.26 -3.57 114.94 124.19 2wvx s ASN 188 Ca 0.91 -1.60 0.17 0.00 -2.14 0.00 0.00 52.86 50.20 2wvx s ASN 188 Cb -0.87 0.60 0.40 0.00 1.28 0.00 0.00 41.25 42.67 2wvx s ASN 188 CO 0.53 -1.16 1.28 -1.20 -2.04 0.00 0.00 177.10 174.50 2wvx n SER 189 N -1.39 2.87 0.00 3.54 7.64 -1.02 -4.95 113.62 120.31 2wvx n SER 189 Ca 0.04 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.74 2wvx n SER 189 Cb 0.62 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.06 0.72 2.33 0.23 0.00 -1.26 -5.02 105.19 101.13 2wvx n GLY 190 Ca 0.19 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 0.51 -0.23 3.38 -0.02 0.00 -1.26 -4.47 105.19 103.09 2wvx n GLY 191 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.77 2.10 0.74 1.61 -7.23 -1.26 -0.39 120.40 113.21 2wvx s VAL 192 Ca 0.03 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.15 2wvx s VAL 192 Cb -0.01 -1.96 0.05 0.00 0.56 0.00 0.00 36.38 35.01 2wvx s VAL 192 CO 0.04 -0.16 1.13 -2.84 -0.31 0.00 0.00 175.10 172.96 2wvx s PRO 193 N -2.57 2.24 0.54 4.82 0.02 -1.26 -4.93 135.00 133.86 2wvx s PRO 193 Ca 0.17 1.43 0.28 0.00 0.02 0.00 0.00 61.00 62.90 2wvx s PRO 193 Cb -0.08 -1.88 1.45 0.00 0.02 0.00 0.00 34.50 34.01 2wvx s PRO 193 CO 0.08 -1.69 1.94 0.93 -0.33 0.00 0.00 177.00 177.93 2wvx h GLU 194 N -0.65 0.00 -0.57 5.54 3.07 -1.98 -1.84 114.58 118.15 2wvx h GLU 194 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2wvx h GLU 194 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2wvx h GLU 194 CO 0.50 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.38 2wvx n ASN 195 N -4.26 3.19 -4.69 1.42 6.94 -1.26 -4.98 115.26 111.62 2wvx n ASN 195 Ca 0.13 -2.21 -0.45 0.00 -0.02 0.00 0.00 54.58 52.03 2wvx n ASN 195 Cb 0.77 -0.43 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 2wvx n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2wvx n PHE 196 N 0.77 2.46 -3.74 -2.53 7.35 -0.69 -4.99 117.46 116.10 2wvx n PHE 196 Ca 0.17 0.08 -0.14 0.00 -0.76 0.00 0.00 57.45 56.80 2wvx n PHE 196 Cb 0.58 -2.63 -0.09 0.00 0.35 0.00 0.00 39.48 37.69 2wvx n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2wvx s LYS 197 N 1.88 0.63 -0.25 -4.13 1.02 -1.26 -4.78 119.74 112.84 2wvx s LYS 197 Ca 0.81 0.07 -0.04 0.00 0.02 0.00 0.00 55.97 56.82 2wvx s LYS 197 Cb -0.60 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 2wvx s LYS 197 CO 0.39 -0.15 -0.00 1.21 -0.92 0.00 0.00 175.35 175.87 2wvx s ASN 198 N -0.84 4.62 -0.17 2.83 3.04 -0.41 -4.58 114.94 119.42 2wvx s ASN 198 Ca -0.09 -0.59 -0.15 0.00 0.04 0.00 0.00 52.86 52.07 2wvx s ASN 198 Cb -0.04 -1.78 -0.04 0.00 -1.54 0.00 0.00 41.25 37.85 2wvx s ASN 198 CO 0.04 -0.10 0.34 -0.31 -3.04 0.00 0.00 177.10 174.02 2wvx s TYR 199 N 1.46 3.43 0.09 0.43 1.51 0.41 -1.61 117.35 123.07 2wvx s TYR 199 Ca 0.03 0.62 0.06 0.00 -1.01 0.00 0.00 57.07 56.77 2wvx s TYR 199 Cb -0.16 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2wvx s TYR 199 CO -0.01 0.15 -0.15 -0.59 -1.11 0.00 0.00 175.55 173.84 2wvx s PHE 200 N 0.76 1.33 -0.04 2.71 -0.12 -0.16 -0.43 117.98 122.04 2wvx s PHE 200 Ca 0.18 -0.49 0.02 0.00 -0.05 0.00 0.00 56.93 56.59 2wvx s PHE 200 Cb -0.14 -0.73 0.01 0.00 -0.63 0.00 0.00 43.02 41.54 2wvx s PHE 200 CO 0.06 0.10 -0.08 0.42 -0.05 0.00 0.00 175.22 175.67 2wvx s ILE 201 N -1.57 0.77 -0.15 -4.49 1.01 -0.50 -1.73 121.20 114.53 2wvx s ILE 201 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2wvx s ILE 201 Cb -0.08 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.68 2wvx s ILE 201 CO 0.03 0.26 -0.14 -0.63 0.00 0.00 0.00 174.94 174.46 2wvx s ILE 202 N 0.58 1.58 -0.20 2.92 1.01 0.53 -1.78 121.20 125.84 2wvx s ILE 202 Ca -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2wvx s ILE 202 Cb -0.13 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 2wvx s ILE 202 CO 0.01 0.45 -0.09 -1.61 0.00 0.00 0.00 174.94 173.70 2wvx s GLU 203 N 1.48 3.29 0.17 2.79 2.02 0.73 -1.03 118.70 128.14 2wvx s GLU 203 Ca 0.05 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 2wvx s GLU 203 Cb -0.13 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 2wvx s GLU 203 CO -0.11 -0.14 0.41 -0.06 0.02 0.00 0.00 175.26 175.38 2wvx s PHE 204 N 1.27 3.47 -1.59 1.61 0.40 -0.45 -0.52 117.98 122.17 2wvx s PHE 204 Ca 0.03 0.55 0.20 0.00 -0.60 0.00 0.00 56.93 57.12 2wvx s PHE 204 Cb -0.14 -2.01 0.67 0.00 0.51 0.00 0.00 43.02 42.05 2wvx s PHE 204 CO -0.04 0.39 1.57 -0.40 0.70 0.00 0.00 175.22 177.44 2wvx n ASP 205 N -0.13 4.27 -4.04 1.36 5.75 -0.88 -4.81 116.55 118.07 2wvx n ASP 205 Ca -0.02 -2.21 -0.23 0.00 -0.01 0.00 0.00 54.79 52.31 2wvx n ASP 205 Cb 0.52 -0.53 -0.16 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.44 1.47 0.68 0.11 2.20 -1.26 -4.94 119.74 116.56 2wvx s LYS 206 Ca 0.49 -0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.54 2wvx s LYS 206 Cb 0.29 -1.27 0.01 0.00 -1.51 0.00 0.00 37.83 35.35 2wvx s LYS 206 CO 0.29 0.10 1.15 -1.25 -0.36 0.00 0.00 175.35 175.28 2wvx s PRO 207 N 0.40 2.53 0.18 4.03 0.04 -1.26 -4.97 135.00 135.95 2wvx s PRO 207 Ca -0.09 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 2wvx s PRO 207 Cb -0.13 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 2wvx s PRO 207 CO 0.02 -1.49 0.74 -0.06 0.04 0.00 0.00 177.00 176.25 2wvx s PHE 208 N -2.15 3.80 -0.27 0.56 0.08 -1.26 -4.83 117.98 113.91 2wvx s PHE 208 Ca 0.71 1.51 0.02 0.00 0.12 0.00 0.00 56.93 59.29 2wvx s PHE 208 Cb -0.24 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.53 2wvx s PHE 208 CO 0.42 0.45 0.52 0.25 -0.10 0.00 0.00 175.22 176.77 2wvx n THR 209 N 1.27 0.00 -4.18 0.64 -2.24 0.49 -4.96 114.28 105.29 2wvx n THR 209 Ca -0.05 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.07 2wvx n THR 209 Cb 0.50 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.62 2wvx n THR 209 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wvx s TYR 210 N -0.30 0.57 -0.12 4.78 6.14 -0.68 -4.94 117.35 122.81 2wvx s TYR 210 Ca 0.02 -0.12 -0.11 0.00 0.64 0.00 0.00 57.07 57.51 2wvx s TYR 210 Cb 0.02 -0.42 0.03 0.00 0.42 0.00 0.00 41.96 42.01 2wvx s TYR 210 CO 0.03 -0.05 0.32 -1.59 0.64 0.00 0.00 175.55 174.90 2wvx s LYS 211 N 0.14 0.36 -0.20 4.97 -2.85 -1.26 -1.21 119.74 119.70 2wvx s LYS 211 Ca -0.01 0.47 -0.19 0.00 -1.00 0.00 0.00 55.97 55.24 2wvx s LYS 211 Cb -0.06 0.14 0.05 0.00 -2.06 0.00 0.00 37.83 35.91 2wvx s LYS 211 CO -0.00 -0.06 0.54 0.00 0.10 0.00 0.00 175.35 175.92 2wvx s ALA 212 N 0.34 -1.33 0.52 0.59 0.00 -0.19 -0.65 121.76 121.04 2wvx s ALA 212 Ca -0.01 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.49 2wvx s ALA 212 Cb -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.23 2wvx s ALA 212 CO -0.01 -0.25 0.74 0.95 0.00 0.00 0.00 175.76 177.18 2wvx s THR 213 N 0.31 2.88 -0.04 0.00 -4.23 -0.98 -0.53 115.64 113.04 2wvx s THR 213 Ca -0.00 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2wvx s THR 213 Cb -0.04 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.74 2wvx s THR 213 CO 0.00 -0.04 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.24 2wvx s VAL 214 N -2.69 1.03 -0.12 2.29 1.01 0.83 0.03 120.40 122.79 2wvx s VAL 214 Ca 0.56 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2wvx s VAL 214 Cb -0.10 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.40 2wvx s VAL 214 CO 0.38 0.32 0.00 -0.70 0.00 0.00 0.00 175.10 175.10 2wvx s GLU 215 N 0.35 0.73 -0.33 2.72 -6.30 -0.54 -2.06 118.70 113.27 2wvx s GLU 215 Ca -0.07 -0.11 -0.07 0.00 -2.50 0.00 0.00 54.97 52.21 2wvx s GLU 215 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 34.13 32.60 2wvx s GLU 215 CO 0.02 -0.41 0.20 0.27 0.02 0.00 0.00 175.26 175.36 2wvx n ASN 216 N 5.09 -1.31 0.00 -1.70 2.04 -1.22 -0.42 115.26 117.73 2wvx n ASN 216 Ca -0.08 -0.37 0.00 0.00 -0.44 0.00 0.00 54.58 53.69 2wvx n ASN 216 Cb 0.49 -0.48 0.00 0.00 -2.53 0.00 0.00 39.78 37.26 2wvx n ASN 216 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wvx n GLY 217 N -1.14 3.00 3.63 4.83 0.00 -1.26 -5.00 105.19 109.24 2wvx n GLY 217 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.28 6.40 0.11 1.61 0.01 0.44 -4.96 114.94 117.27 2wvx s ASN 218 Ca 0.00 0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 52.33 2wvx s ASN 218 Cb 0.00 -2.25 -0.07 0.00 0.41 0.00 0.00 41.25 39.34 2wvx s ASN 218 CO 0.00 -0.19 1.18 -0.22 -1.51 0.00 0.00 177.10 176.36 2wvx s LEU 219 N 1.91 4.41 -0.50 0.60 2.96 -1.26 -1.47 118.68 125.32 2wvx s LEU 219 Ca 0.19 2.08 0.03 0.00 -0.22 0.00 0.00 54.13 56.22 2wvx s LEU 219 Cb -0.15 -3.59 0.15 0.00 0.50 0.00 0.00 46.19 43.09 2wvx s LEU 219 CO 0.09 -0.40 0.31 -1.10 -1.32 0.00 0.00 176.35 173.93 2wvx s GLN 220 N 0.46 1.57 0.28 1.98 -1.52 0.10 -4.99 119.66 117.56 2wvx s GLN 220 Ca 0.55 -2.38 -0.30 0.00 -1.95 0.00 0.00 55.36 51.28 2wvx s GLN 220 Cb -0.30 -2.57 -0.11 0.00 -0.22 0.00 0.00 33.01 29.81 2wvx s GLN 220 CO 0.32 -1.21 1.57 -2.00 -0.25 0.00 0.00 175.29 173.72 2wvx s GLU 221 N -0.15 4.14 -0.88 2.91 2.12 -1.26 -2.31 118.70 123.27 2wvx s GLU 221 Ca 0.21 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.08 2wvx s GLU 221 Cb -0.16 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2wvx s GLU 221 CO -0.06 -0.60 0.00 0.09 -0.54 0.00 0.00 175.26 174.15 2wvx n ASN 222 N 2.24 -5.30 -4.60 -1.70 3.02 0.18 -4.91 115.26 104.20 2wvx n ASN 222 Ca 0.08 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.45 2wvx n ASN 222 Cb 0.38 -3.52 -0.09 0.00 -0.61 0.00 0.00 39.78 35.93 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 -1.87 5.19 0.31 2.41 1.01 -0.98 -4.99 120.40 121.48 2wvx s VAL 223 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2wvx s VAL 223 Cb 0.00 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.83 2wvx s VAL 223 CO 0.00 0.17 1.82 0.00 0.00 0.00 0.00 175.10 177.08 2wvx h ALA 224 N 8.19 1.25 -3.00 5.51 0.00 -1.89 -3.26 119.26 126.07 2wvx h ALA 224 Ca -0.32 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.18 2wvx h ALA 224 Cb 1.16 -0.16 -0.22 0.00 0.00 0.00 0.00 17.79 18.58 2wvx h ALA 224 CO 0.63 0.50 -0.62 -2.00 0.00 0.00 0.00 179.25 177.76 2wvx s GLU 225 N -4.90 0.33 -0.01 0.00 2.12 -1.26 -0.95 118.70 114.03 2wvx s GLU 225 Ca -0.08 -0.44 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 2wvx s GLU 225 Cb 0.15 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.68 2wvx s GLU 225 CO 0.78 -0.06 0.01 -0.65 -0.54 0.00 0.00 175.26 174.80 2wvx s GLN 226 N -1.21 -0.02 -0.28 4.30 -1.52 -0.54 -5.01 119.66 115.39 2wvx s GLN 226 Ca -0.13 0.08 0.02 0.00 -1.95 0.00 0.00 55.36 53.37 2wvx s GLN 226 Cb -0.08 -0.10 0.08 0.00 -0.22 0.00 0.00 33.01 32.69 2wvx s GLN 226 CO -0.00 -0.07 -0.00 0.99 -0.25 0.00 0.00 175.29 175.96 2wvx s THR 227 N 0.44 1.72 0.35 -0.19 2.01 -1.26 -1.85 115.64 116.87 2wvx s THR 227 Ca -0.04 -1.65 -0.14 0.00 0.31 0.00 0.00 61.69 60.17 2wvx s THR 227 Cb -0.05 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.39 2wvx s THR 227 CO -0.01 -0.35 0.71 0.28 -0.69 0.00 0.00 174.62 174.56 2wvx s THR 228 N 1.25 0.00 0.09 -0.82 -1.32 -1.01 -5.02 115.64 108.81 2wvx s THR 228 Ca 0.02 -1.12 -0.23 0.00 -1.21 0.00 0.00 61.69 59.15 2wvx s THR 228 Cb -0.19 -2.66 -0.15 0.00 -1.51 0.00 0.00 72.50 67.99 2wvx s THR 228 CO -0.10 0.00 1.73 -0.78 -2.21 0.00 0.00 174.62 173.26 2wvx h ASP 229 N 2.03 -0.03 -3.49 8.08 3.58 -1.94 -0.36 116.42 124.29 2wvx h ASP 229 Ca -0.29 -0.01 -0.61 0.00 0.42 0.00 0.00 57.03 56.54 2wvx h ASP 229 Cb 1.25 0.01 -0.40 0.00 1.72 0.00 0.00 39.33 41.91 2wvx h ASP 229 CO 0.37 -0.01 -0.74 -2.28 -2.88 0.00 0.00 179.24 173.71 2wvx s HIS 230 N -6.14 2.01 0.33 0.28 2.46 -1.26 -0.37 115.29 112.60 2wvx s HIS 230 Ca -0.13 -2.38 -0.18 0.00 0.47 0.00 0.00 55.06 52.84 2wvx s HIS 230 Cb 0.06 -1.91 -0.09 0.00 -0.13 0.00 0.00 32.58 30.50 2wvx s HIS 230 CO 0.66 -0.80 0.80 0.00 -2.47 0.00 0.00 174.74 172.93 2wvx s ALA 231 N 0.49 3.26 0.27 1.58 0.00 -1.25 -3.46 121.76 122.65 2wvx s ALA 231 Ca 0.17 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 2wvx s ALA 231 Cb -0.24 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.00 2wvx s ALA 231 CO -0.02 0.28 0.59 0.20 0.00 0.00 0.00 175.76 176.81 2wvx s GLY 232 N -2.13 0.30 -0.00 0.00 0.00 -0.88 -1.72 107.32 102.89 2wvx s GLY 232 Ca 0.54 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 2wvx s GLY 232 CO 0.17 -0.40 0.10 0.00 0.00 0.00 0.00 173.10 172.97 2wvx s ALA 233 N -3.86 -0.23 -0.09 3.20 0.00 -0.30 -0.12 121.76 120.36 2wvx s ALA 233 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 2wvx s ALA 233 Cb -0.03 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2wvx s ALA 233 CO 0.09 -0.17 -0.07 0.42 0.00 0.00 0.00 175.76 176.03 2wvx s ILE 234 N -1.14 0.90 0.33 0.00 1.01 0.31 -0.17 121.20 122.44 2wvx s ILE 234 Ca -0.12 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.37 2wvx s ILE 234 Cb -0.07 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 2wvx s ILE 234 CO 0.01 0.34 0.09 0.27 0.00 0.00 0.00 174.94 175.64 2wvx s ILE 235 N 1.53 2.94 0.20 2.92 -5.25 -0.61 -1.02 121.20 121.90 2wvx s ILE 235 Ca 0.01 -1.80 -0.23 0.00 -0.99 0.00 0.00 60.65 57.64 2wvx s ILE 235 Cb -0.13 -2.91 0.07 0.00 2.95 0.00 0.00 42.46 42.44 2wvx s ILE 235 CO -0.05 -0.21 0.96 -0.83 -1.79 0.00 0.00 174.94 173.03 2wvx s GLY 236 N -3.79 -0.02 0.13 6.27 0.00 -0.35 -0.82 107.32 108.74 2wvx s GLY 236 Ca 0.36 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.65 2wvx s GLY 236 CO 0.21 0.90 1.03 -0.11 0.00 0.00 0.00 173.10 175.13 2wvx s PHE 237 N -2.76 -0.08 0.03 1.90 -0.12 0.24 -0.38 117.98 116.82 2wvx s PHE 237 Ca 0.16 -0.21 -0.17 0.00 -0.05 0.00 0.00 56.93 56.66 2wvx s PHE 237 Cb -0.02 0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 42.94 2wvx s PHE 237 CO 0.05 -0.75 0.50 0.15 -0.05 0.00 0.00 175.22 175.11 2wvx s LYS 238 N -2.93 4.09 0.08 1.99 1.02 -1.26 -1.81 119.74 120.92 2wvx s LYS 238 Ca 0.14 0.58 0.08 0.00 0.02 0.00 0.00 55.97 56.80 2wvx s LYS 238 Cb -0.01 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 2wvx s LYS 238 CO 0.02 0.62 -0.21 0.95 -0.92 0.00 0.00 175.35 175.81 2wvx s THR 239 N -0.96 1.68 0.52 2.17 -4.23 -0.05 -4.98 115.64 109.79 2wvx s THR 239 Ca 0.27 -1.43 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 2wvx s THR 239 Cb -0.18 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.16 2wvx s THR 239 CO 0.16 0.02 0.77 0.00 -0.54 0.00 0.00 174.62 175.03 2wvx s ARG 240 N -1.68 2.91 0.10 3.99 1.70 -1.26 -1.14 118.95 123.57 2wvx s ARG 240 Ca 0.07 -0.37 -0.33 0.00 -0.47 0.00 0.00 55.73 54.62 2wvx s ARG 240 Cb -0.10 -2.44 -0.12 0.00 -0.57 0.00 0.00 34.95 31.72 2wvx s ARG 240 CO 0.03 -0.51 1.73 1.17 -1.08 0.00 0.00 175.30 176.64 2wvx n LYS 241 N -2.31 2.39 -0.79 3.89 4.81 -1.26 -2.03 118.16 122.87 2wvx n LYS 241 Ca 0.04 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2wvx n LYS 241 Cb 0.58 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.94 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 3.90 0.79 3.71 3.14 0.00 0.05 -4.84 105.19 111.93 2wvx n GLY 242 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.21 4.36 -0.11 1.61 2.12 -0.86 -4.67 118.70 120.94 2wvx s GLU 243 Ca 0.00 1.91 -0.10 0.00 0.36 0.00 0.00 54.97 57.13 2wvx s GLU 243 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2wvx s GLU 243 CO 0.00 -0.39 0.23 -0.65 -0.54 0.00 0.00 175.26 173.91 2wvx s GLN 244 N 1.37 3.80 -0.11 4.30 -0.21 -1.26 -1.30 119.66 126.26 2wvx s GLN 244 Ca 0.62 0.02 0.02 0.00 0.02 0.00 0.00 55.36 56.03 2wvx s GLN 244 Cb -0.32 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.43 2wvx s GLN 244 CO 0.29 0.59 -0.16 0.08 -2.12 0.00 0.00 175.29 173.96 2wvx s VAL 245 N -0.57 1.60 -0.10 1.09 1.01 -0.17 -4.95 120.40 118.31 2wvx s VAL 245 Ca 0.16 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2wvx s VAL 245 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2wvx s VAL 245 CO 0.05 0.46 0.16 0.20 0.00 0.00 0.00 175.10 175.98 2wvx s ASN 246 N 0.94 6.42 -0.11 3.32 0.01 -1.26 -0.52 114.94 123.74 2wvx s ASN 246 Ca -0.07 0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 2wvx s ASN 246 Cb -0.15 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.45 2wvx s ASN 246 CO -0.01 0.39 -0.11 0.00 -1.51 0.00 0.00 177.10 175.86 2wvx s ALA 247 N -1.06 1.49 -0.18 0.60 0.00 0.12 -2.08 121.76 120.66 2wvx s ALA 247 Ca 0.17 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 2wvx s ALA 247 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2wvx s ALA 247 CO 0.06 -0.28 0.34 1.03 0.00 0.00 0.00 175.76 176.91 2wvx s ARG 248 N 1.40 4.22 -0.01 0.00 0.52 0.32 -1.00 118.95 124.40 2wvx s ARG 248 Ca 0.00 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2wvx s ARG 248 Cb -0.13 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2wvx s ARG 248 CO -0.06 0.11 -0.10 0.42 0.02 0.00 0.00 175.30 175.69 2wvx s ILE 249 N 0.85 0.81 0.11 1.52 1.01 -0.35 -0.20 121.20 124.95 2wvx s ILE 249 Ca 0.18 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2wvx s ILE 249 Cb -0.14 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.66 2wvx s ILE 249 CO 0.06 0.21 0.27 0.00 0.00 0.00 0.00 174.94 175.48 2wvx s ALA 250 N -0.28 -0.41 0.11 9.38 0.00 -0.74 -0.48 121.76 129.35 2wvx s ALA 250 Ca 0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 2wvx s ALA 250 Cb -0.04 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2wvx s ALA 250 CO -0.00 -0.58 -0.00 -1.54 0.00 0.00 0.00 175.76 173.64 2wvx s SER 251 N -2.86 0.66 0.03 0.00 1.04 -1.20 -1.41 113.70 109.96 2wvx s SER 251 Ca 0.06 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.32 2wvx s SER 251 Cb 0.04 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2wvx s SER 251 CO -0.09 -0.62 0.13 -0.55 0.98 0.00 0.00 173.24 173.09 2wvx s SER 252 N -3.03 0.11 0.00 7.02 0.15 0.43 -4.74 113.70 113.65 2wvx s SER 252 Ca 0.17 -0.43 0.23 0.00 0.70 0.00 0.00 55.95 56.61 2wvx s SER 252 Cb 0.07 0.24 0.45 0.00 -1.71 0.00 0.00 66.02 65.07 2wvx s SER 252 CO -0.03 -0.50 1.42 0.49 1.20 0.00 0.00 173.24 175.82 2wvx n PHE 253 N 0.87 0.50 -0.09 3.44 3.01 -1.26 -0.45 117.46 123.48 2wvx n PHE 253 Ca -0.20 -0.25 -0.17 0.00 1.01 0.00 0.00 57.45 57.84 2wvx n PHE 253 Cb 0.58 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.99 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 1.44 1.32 -3.63 4.37 5.41 -1.26 -4.70 119.36 122.31 2wvx n ILE 254 Ca 0.19 -0.10 -0.04 0.00 1.00 0.00 0.00 62.75 63.80 2wvx n ILE 254 Cb 0.59 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.54 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 -6.56 -0.19 0.25 4.38 1.04 -1.26 -4.99 113.70 106.36 2wvx s SER 255 Ca -0.28 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 2wvx s SER 255 Cb 0.08 0.31 0.27 0.00 0.10 0.00 0.00 66.02 66.79 2wvx s SER 255 CO 0.37 -0.55 1.85 -0.26 0.98 0.00 0.00 173.24 175.63 2wvx h PHE 256 N 2.00 1.14 -0.66 5.02 0.04 -1.93 -0.20 116.94 122.35 2wvx h PHE 256 Ca -0.22 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.46 2wvx h PHE 256 Cb 1.21 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 2wvx h PHE 256 CO 0.32 0.82 0.24 1.49 -0.60 0.00 0.00 178.31 180.57 2wvx h GLU 257 N 1.14 0.99 -0.65 1.51 4.81 -1.99 0.95 114.58 121.35 2wvx h GLU 257 Ca 0.28 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2wvx h GLU 257 Cb 0.09 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2wvx h GLU 257 CO -0.04 0.85 0.07 0.37 -0.73 0.00 0.00 179.01 179.53 2wvx h GLN 258 N 0.93 1.10 -0.75 1.92 5.75 -1.88 -1.11 115.11 121.08 2wvx h GLN 258 Ca 0.22 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2wvx h GLN 258 Cb 0.24 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 2wvx h GLN 258 CO -0.01 1.03 0.42 0.00 -2.65 0.00 0.00 178.83 177.62 2wvx h ALA 259 N 1.04 0.96 -0.96 3.38 0.00 -0.55 0.79 119.26 123.93 2wvx h ALA 259 Ca 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2wvx h ALA 259 Cb 0.48 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2wvx h ALA 259 CO 0.02 0.46 0.62 0.00 0.00 0.00 0.00 179.25 180.35 2wvx h ALA 260 N 1.22 1.44 -0.50 0.00 0.00 -0.55 -2.35 119.26 118.51 2wvx h ALA 260 Ca 0.26 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2wvx h ALA 260 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2wvx h ALA 260 CO -0.04 0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 2wvx h ALA 261 N 1.47 0.68 0.00 0.00 0.00 0.07 -3.30 119.26 118.19 2wvx h ALA 261 Ca 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wvx h ALA 261 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wvx h ALA 261 CO -0.15 0.54 0.24 0.09 0.00 0.00 0.00 179.25 179.97 2wvx n ASN 262 N -4.26 0.71 0.00 0.00 3.02 0.15 -4.30 115.26 110.57 2wvx n ASN 262 Ca 0.01 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 2wvx n ASN 262 Cb 0.35 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 2.56 0.00 0.28 6.41 5.03 -1.24 -4.45 115.26 123.85 2wvx n ASN 264 Ca 0.04 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.61 2wvx n ASN 264 Cb 0.10 -0.11 0.80 0.00 -1.02 0.00 0.00 39.78 39.55 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 -1.67 114.58 119.57 2wvx h GLU 265 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2wvx h GLU 265 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2wvx h GLU 265 CO 0.00 0.00 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.59 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 -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wvx h LEU 266 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wvx h LEU 266 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2wvx n GLY 267 N 1.16 1.42 1.20 0.83 0.00 -0.63 -1.33 105.19 107.84 2wvx n GLY 267 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 13.82 2.70 -1.69 1.61 4.76 -1.26 -4.97 118.16 133.12 2wvx n LYS 268 Ca 0.00 -3.00 -0.37 0.00 -2.87 0.00 0.00 58.31 52.07 2wvx n LYS 268 Cb 0.00 -1.91 0.06 0.00 -1.84 0.00 0.00 35.03 31.34 2wvx n LYS 268 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wvx n ASP 269 N -0.67 1.68 -4.35 4.39 8.00 -0.44 -5.02 116.55 120.13 2wvx n ASP 269 Ca 0.30 0.82 -0.20 0.00 0.71 0.00 0.00 54.79 56.42 2wvx n ASP 269 Cb 1.05 -1.51 0.09 0.00 -0.02 0.00 0.00 41.12 40.73 2wvx n ASP 269 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wvx n ASN 270 N -1.55 1.38 -0.15 -2.24 0.23 -1.26 -4.85 115.26 106.82 2wvx n ASN 270 Ca 0.15 -2.11 -0.04 0.00 -0.53 0.00 0.00 54.58 52.06 2wvx n ASN 270 Cb 0.48 -0.52 0.05 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.41 0.86 -0.68 1.53 1.08 -1.95 -0.06 117.51 117.88 2wvx h ILE 271 Ca -0.28 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2wvx h ILE 271 Cb 1.09 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2wvx h ILE 271 CO 0.32 0.06 0.38 -0.33 -0.69 0.00 0.00 178.15 177.90 2wvx h GLU 272 N 0.35 0.95 -0.28 2.37 3.07 -1.99 0.95 114.58 120.00 2wvx h GLU 272 Ca 0.22 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 2wvx h GLU 272 Cb 0.21 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2wvx h GLU 272 CO -0.21 0.71 -0.24 1.96 -1.40 0.00 0.00 179.01 179.82 2wvx h GLN 273 N 0.93 0.67 -0.18 2.33 4.20 -1.79 -2.15 115.11 119.12 2wvx h GLN 273 Ca 0.24 -0.34 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 2wvx h GLN 273 Cb 0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2wvx h GLN 273 CO -0.04 0.94 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.48 2wvx h LEU 274 N 0.41 0.55 -0.73 1.46 3.38 -0.88 -1.92 115.31 117.58 2wvx h LEU 274 Ca 0.05 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2wvx h LEU 274 Cb 0.80 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2wvx h LEU 274 CO 0.06 0.97 0.45 0.00 0.09 0.00 0.00 178.44 180.01 2wvx h ALA 275 N 1.05 0.96 -0.49 1.53 0.00 -0.78 -0.54 119.26 120.99 2wvx h ALA 275 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2wvx h ALA 275 Cb 1.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2wvx h ALA 275 CO 0.09 0.23 0.01 0.37 0.00 0.00 0.00 179.25 179.95 2wvx h GLN 276 N 0.88 0.86 -0.31 0.00 5.75 -1.10 0.59 115.11 121.79 2wvx h GLN 276 Ca 0.30 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2wvx h GLN 276 Cb 0.04 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2wvx h GLN 276 CO -0.12 0.90 -0.13 0.87 -2.65 0.00 0.00 178.83 177.70 2wvx h LYS 277 N 0.72 0.52 -0.11 1.69 1.57 -1.12 0.32 116.57 120.17 2wvx h LYS 277 Ca 0.14 -0.15 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 2wvx h LYS 277 Cb 0.50 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.76 2wvx h LYS 277 CO 0.02 0.65 -0.80 0.78 -0.57 0.00 0.00 179.45 179.53 2wvx h GLY 278 N 0.94 0.70 0.84 3.86 0.00 -0.70 -1.71 103.07 106.99 2wvx h GLY 278 Ca 0.09 -1.02 0.03 0.00 0.00 0.00 0.00 47.33 46.43 2wvx h GLY 278 CO 0.03 0.90 0.28 1.70 0.00 0.00 0.00 176.54 179.46 2wvx h LYS 279 N 0.42 0.55 -0.42 4.80 3.64 -0.72 -0.85 116.57 123.98 2wvx h LYS 279 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wvx h LYS 279 Cb 1.41 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2wvx h LYS 279 CO 0.15 0.36 0.27 -0.44 -2.27 0.00 0.00 179.45 177.52 2wvx h ASP 280 N 0.56 0.50 -0.71 4.20 3.32 -0.88 0.10 116.42 123.51 2wvx h ASP 280 Ca 0.21 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.23 2wvx h ASP 280 Cb 0.05 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2wvx h ASP 280 CO -0.11 0.38 0.47 0.00 -1.72 0.00 0.00 179.24 178.26 2wvx h ALA 281 N 1.13 0.91 -0.28 3.45 0.00 -1.03 -0.22 119.26 123.22 2wvx h ALA 281 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2wvx h ALA 281 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2wvx h ALA 281 CO -0.03 0.30 -0.10 -1.49 0.00 0.00 0.00 179.25 177.93 2wvx h TRP 282 N 0.94 0.65 0.00 0.00 4.06 -0.97 -3.11 115.95 117.53 2wvx h TRP 282 Ca 0.27 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 2wvx h TRP 282 Cb -0.08 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 27.92 2wvx h TRP 282 CO -0.03 0.79 -0.17 -0.91 -3.56 0.00 0.00 178.44 174.57 2wvx h ASN 283 N 0.32 0.00 -0.76 -3.49 2.35 -0.45 0.38 115.58 113.94 2wvx h ASN 283 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2wvx h ASN 283 Cb 0.60 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 2wvx h ASN 283 CO 0.03 0.17 0.47 -0.61 -1.65 0.00 0.00 177.43 175.84 2wvx h GLN 284 N 0.00 1.02 0.15 0.81 5.75 -0.98 0.51 115.11 122.37 2wvx h GLN 284 Ca -0.00 -0.09 -0.32 0.00 -0.15 0.00 0.00 58.65 58.09 2wvx h GLN 284 Cb 0.30 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2wvx h GLN 284 CO 0.02 0.71 -1.63 -0.39 -2.65 0.00 0.00 178.83 174.90 2wvx h VAL 285 N 1.04 0.95 -0.70 2.39 -1.51 -1.40 -3.37 116.25 113.65 2wvx h VAL 285 Ca 0.27 -2.45 -0.03 0.00 -1.23 0.00 0.00 66.70 63.26 2wvx h VAL 285 Cb -0.06 2.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.79 2wvx h VAL 285 CO -0.05 0.80 0.30 -0.07 -1.23 0.00 0.00 177.57 177.32 2wvx h LEU 286 N -0.08 0.93 0.00 4.19 3.38 -0.95 -2.81 115.31 119.97 2wvx h LEU 286 Ca -0.33 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wvx h LEU 286 Cb 1.95 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2wvx h LEU 286 CO 0.12 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2wvx n GLY 287 N -1.02 -0.68 0.11 0.83 0.00 0.17 -2.27 105.19 102.32 2wvx n GLY 287 Ca 0.06 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2wvx n GLY 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wvx n LYS 288 N -1.14 0.17 -3.79 1.61 4.76 -1.06 -4.35 118.16 114.35 2wvx n LYS 288 Ca 0.10 0.39 -0.29 0.00 -2.87 0.00 0.00 58.31 55.65 2wvx n LYS 288 Cb 0.10 -1.82 -0.16 0.00 -1.84 0.00 0.00 35.03 31.31 2wvx n LYS 288 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wvx s ILE 289 N -3.27 0.84 -0.27 -0.18 1.01 -0.96 -0.56 121.20 117.80 2wvx s ILE 289 Ca 0.05 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2wvx s ILE 289 Cb 0.09 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2wvx s ILE 289 CO 0.38 -0.21 0.13 -1.61 0.00 0.00 0.00 174.94 173.62 2wvx s GLU 290 N 1.71 3.69 0.07 2.79 2.02 -0.27 -4.95 118.70 123.75 2wvx s GLU 290 Ca -0.02 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.54 2wvx s GLU 290 Cb -0.18 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 2wvx s GLU 290 CO -0.09 -0.23 -0.00 0.14 0.02 0.00 0.00 175.26 175.10 2wvx s VAL 291 N 1.66 4.02 0.21 2.63 -7.23 -1.26 -0.18 120.40 120.25 2wvx s VAL 291 Ca 0.06 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.23 2wvx s VAL 291 Cb -0.16 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 2wvx s VAL 291 CO 0.07 0.18 0.35 -1.83 -0.31 0.00 0.00 175.10 173.56 2wvx s GLU 292 N -2.12 1.37 -0.65 4.82 -1.05 0.57 -4.95 118.70 116.68 2wvx s GLU 292 Ca 0.24 -1.30 -0.01 0.00 -0.15 0.00 0.00 54.97 53.75 2wvx s GLU 292 Cb -0.12 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2wvx s GLU 292 CO 0.16 -0.53 0.55 0.41 0.95 0.00 0.00 175.26 176.80 2wvx n GLY 293 N -0.31 0.04 1.59 -3.83 0.00 -1.26 -2.13 105.19 99.28 2wvx n GLY 293 Ca -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.11 3.43 3.93 -0.02 0.00 -1.26 -2.30 105.19 107.86 2wvx n GLY 294 Ca -0.13 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.15 5.45 0.41 1.61 2.20 -1.26 -4.95 114.94 116.25 2wvx s ASN 295 Ca 0.19 -0.49 0.07 0.00 -0.94 0.00 0.00 52.86 51.70 2wvx s ASN 295 Cb 0.01 -0.84 0.87 0.00 -2.00 0.00 0.00 41.25 39.29 2wvx s ASN 295 CO 0.14 -0.55 2.05 0.25 -2.94 0.00 0.00 177.10 176.05 2wvx h LEU 296 N 0.97 0.47 -0.64 3.54 5.85 -2.02 -0.75 115.31 122.73 2wvx h LEU 296 Ca -0.43 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.30 2wvx h LEU 296 Cb 1.26 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2wvx h LEU 296 CO 0.54 0.33 0.40 0.44 -0.34 0.00 0.00 178.44 179.82 2wvx h ASP 297 N 0.55 0.67 -0.28 1.25 3.32 -1.99 -1.14 116.42 118.80 2wvx h ASP 297 Ca 0.16 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 2wvx h ASP 297 Cb -0.02 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 2wvx h ASP 297 CO -0.04 0.47 -0.28 1.56 -1.72 0.00 0.00 179.24 179.23 2wvx h GLN 298 N 0.80 0.69 -0.34 3.56 4.20 -1.58 0.24 115.11 122.68 2wvx h GLN 298 Ca 0.25 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.62 2wvx h GLN 298 Cb -0.02 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2wvx h GLN 298 CO -0.09 0.98 0.17 1.88 -0.67 0.00 0.00 178.83 181.09 2wvx h TYR 299 N 0.42 0.30 -0.31 2.96 0.05 -1.05 0.26 116.97 119.60 2wvx h TYR 299 Ca 0.04 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 2wvx h TYR 299 Cb 0.85 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 2wvx h TYR 299 CO 0.07 0.16 0.18 0.00 -1.05 0.00 0.00 178.16 177.52 2wvx h ARG 300 N 0.34 0.43 -0.17 4.88 3.08 -1.12 -0.61 114.38 121.21 2wvx h ARG 300 Ca 0.14 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2wvx h ARG 300 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2wvx h ARG 300 CO -0.10 0.35 0.10 1.15 -1.07 0.00 0.00 179.97 180.39 2wvx h THR 301 N 0.39 1.09 0.33 2.04 2.02 -0.75 -0.61 112.91 117.42 2wvx h THR 301 Ca 0.11 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2wvx h THR 301 Cb 0.04 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2wvx h THR 301 CO -0.02 0.08 -0.16 0.15 0.37 0.00 0.00 175.52 175.95 2wvx h PHE 302 N 0.18 -0.41 -0.01 3.16 3.57 -0.82 -0.46 116.94 122.16 2wvx h PHE 302 Ca 0.06 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2wvx h PHE 302 Cb 0.05 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2wvx h PHE 302 CO -0.04 -0.24 -0.67 1.88 -2.23 0.00 0.00 178.31 177.00 2wvx h TYR 303 N -0.45 0.06 -0.60 0.41 0.05 -1.10 -0.35 116.97 114.99 2wvx h TYR 303 Ca -0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 2wvx h TYR 303 Cb 0.35 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 2wvx h TYR 303 CO -0.05 0.70 0.21 0.77 -1.05 0.00 0.00 178.16 178.74 2wvx h SER 304 N 0.03 0.86 -0.22 3.88 0.02 -1.05 -0.01 113.55 117.06 2wvx h SER 304 Ca -0.01 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 2wvx h SER 304 Cb 1.18 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2wvx h SER 304 CO 0.09 0.82 -0.15 0.00 -1.14 0.00 0.00 176.83 176.45 2wvx h LEU 306 N 0.57 0.01 -0.74 0.00 5.85 -0.79 -1.39 115.31 118.82 2wvx h LEU 306 Ca 0.10 -0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.75 2wvx h LEU 306 Cb 0.58 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 2wvx h LEU 306 CO 0.04 0.24 0.09 0.22 -0.34 0.00 0.00 178.44 178.69 2wvx h TYR 307 N -0.23 0.11 0.00 1.25 3.20 -0.88 0.93 116.97 121.35 2wvx h TYR 307 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2wvx h TYR 307 Cb 0.24 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2wvx h TYR 307 CO 0.00 -0.17 0.00 0.00 -1.64 0.00 0.00 178.16 176.35 2wvx h ARG 308 N 0.17 0.00 -0.01 1.82 2.47 -0.86 -1.84 114.38 116.13 2wvx h ARG 308 Ca 0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 2wvx h ARG 308 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2wvx h ARG 308 CO -0.59 0.00 -0.05 0.43 0.56 0.00 0.00 179.97 180.32 2wvx n SER 309 N -2.94 0.79 -0.92 7.04 7.64 0.30 -3.96 113.62 121.57 2wvx n SER 309 Ca 0.00 -1.06 0.02 0.00 1.01 0.00 0.00 58.87 58.84 2wvx n SER 309 Cb 0.26 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.51 2.85 -0.03 -3.43 4.77 -0.69 -4.72 117.00 115.25 2wvx n LEU 310 Ca 0.18 -3.84 -0.04 0.00 -0.03 0.00 0.00 56.01 52.27 2wvx n LEU 310 Cb 0.27 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2wvx n LEU 310 CO 0.20 1.42 -0.72 0.18 -1.33 0.00 0.00 177.39 177.14 2wvx n LEU 311 N -0.91 2.66 -4.20 2.23 4.77 -1.26 -0.94 117.00 119.35 2wvx n LEU 311 Ca 0.21 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.91 2wvx n LEU 311 Cb 0.77 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 2wvx n LEU 311 CO 0.02 0.56 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.78 2wvx s PHE 312 N -2.13 1.64 0.58 -1.77 0.40 -1.26 -3.57 117.98 111.87 2wvx s PHE 312 Ca -0.08 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 2wvx s PHE 312 Cb 0.02 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 2wvx s PHE 312 CO 0.16 0.03 1.06 -1.25 0.70 0.00 0.00 175.22 175.92 2wvx s PRO 313 N -0.81 3.34 0.43 0.24 0.04 -1.26 -4.94 135.00 132.04 2wvx s PRO 313 Ca 0.06 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 2wvx s PRO 313 Cb -0.08 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2wvx s PRO 313 CO 0.01 -0.80 0.85 -0.98 0.04 0.00 0.00 177.00 176.12 2wvx s ARG 314 N -3.97 3.91 0.30 4.56 1.70 -0.31 -4.78 118.95 120.36 2wvx s ARG 314 Ca 0.64 0.72 -0.30 0.00 -0.47 0.00 0.00 55.73 56.33 2wvx s ARG 314 Cb -0.16 -2.30 -0.12 0.00 -0.57 0.00 0.00 34.95 31.80 2wvx s ARG 314 CO 0.35 -0.08 1.48 1.63 -1.08 0.00 0.00 175.30 177.60 2wvx n LYS 315 N -1.16 2.43 -0.64 3.89 5.02 0.16 -2.00 118.16 125.86 2wvx n LYS 315 Ca 0.04 0.86 0.06 0.00 -2.02 0.00 0.00 58.31 57.25 2wvx n LYS 315 Cb 0.54 -2.57 0.12 0.00 -0.02 0.00 0.00 35.03 33.10 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 1.47 0.00 -4.52 2.13 7.35 -1.26 -4.80 117.46 117.82 2wvx n PHE 316 Ca 0.07 -0.90 -0.25 0.00 -0.76 0.00 0.00 57.45 55.61 2wvx n PHE 316 Cb 0.36 -0.17 -0.10 0.00 0.35 0.00 0.00 39.48 39.91 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 -1.90 2.37 0.18 -5.13 -0.85 -1.26 -4.43 117.35 106.33 2wvx s TYR 317 Ca 0.29 -0.45 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 2wvx s TYR 317 Cb 0.29 -1.26 -0.05 0.00 0.38 0.00 0.00 41.96 41.32 2wvx s TYR 317 CO -0.05 0.63 0.03 -1.21 -1.52 0.00 0.00 175.55 173.43 2wvx s GLU 318 N -3.58 1.12 -0.17 -3.49 2.02 0.20 -4.94 118.70 109.86 2wvx s GLU 318 Ca 0.32 -1.55 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 2wvx s GLU 318 Cb 0.00 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.08 2wvx s GLU 318 CO 0.16 -0.20 -0.03 -0.51 0.02 0.00 0.00 175.26 174.70 2wvx s LEU 319 N -3.16 3.24 0.00 1.80 1.43 -1.26 -0.40 118.68 120.33 2wvx s LEU 319 Ca 0.27 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2wvx s LEU 319 Cb 0.07 -1.79 0.17 0.00 0.03 0.00 0.00 46.19 44.66 2wvx s LEU 319 CO 0.05 0.14 0.95 -0.90 0.23 0.00 0.00 176.35 176.82 2wvx n ASP 320 N 3.74 -0.03 0.19 2.29 5.68 -0.12 -4.83 116.55 123.47 2wvx n ASP 320 Ca -0.17 -1.33 0.14 0.00 -0.50 0.00 0.00 54.79 52.93 2wvx n ASP 320 Cb 0.52 -0.73 0.66 0.00 -1.14 0.00 0.00 41.12 40.43 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 -1.89 1.00 -0.71 2.12 0.00 -1.99 0.62 119.26 118.41 2wvx h ALA 321 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wvx h ALA 321 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wvx h ALA 321 CO 0.22 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.56 2wvx n ASN 322 N -2.49 4.00 0.00 0.00 3.02 -1.26 -4.93 115.26 113.60 2wvx n ASN 322 Ca -0.00 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 2wvx n ASN 322 Cb 0.14 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 1.54 0.53 3.88 7.41 0.00 0.21 -5.03 105.19 113.73 2wvx n GLY 323 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.04 3.69 0.15 1.61 -1.52 -1.26 -4.74 119.66 117.56 2wvx s GLN 324 Ca 0.00 0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.17 2wvx s GLN 324 Cb 0.00 -2.89 -0.07 0.00 -0.22 0.00 0.00 33.01 29.83 2wvx s GLN 324 CO 0.00 0.49 1.09 -1.25 -0.25 0.00 0.00 175.29 175.37 2wvx s PRO 325 N -2.37 4.59 0.11 2.91 0.04 -1.26 -0.94 135.00 138.08 2wvx s PRO 325 Ca 0.38 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2wvx s PRO 325 Cb -0.13 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2wvx s PRO 325 CO 0.21 0.05 -0.01 0.96 0.04 0.00 0.00 177.00 178.25 2wvx s ILE 326 N -0.04 0.44 -0.05 0.56 -4.36 0.47 -0.94 121.20 117.27 2wvx s ILE 326 Ca 0.50 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.87 2wvx s ILE 326 Cb -0.28 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.62 2wvx s ILE 326 CO 0.34 -0.72 0.27 -1.38 0.24 0.00 0.00 174.94 173.69 2wvx s HIS 327 N -3.80 -0.20 0.13 1.37 -3.43 0.42 0.59 115.29 110.36 2wvx s HIS 327 Ca 0.16 0.42 -0.31 0.00 -0.80 0.00 0.00 55.06 54.53 2wvx s HIS 327 Cb 0.07 0.08 -0.09 0.00 -1.43 0.00 0.00 32.58 31.20 2wvx s HIS 327 CO -0.03 -0.27 1.54 -0.47 -2.00 0.00 0.00 174.74 173.51 2wvx s TYR 328 N -0.69 2.97 -0.31 0.38 5.04 -1.26 -0.96 117.35 122.52 2wvx s TYR 328 Ca -0.08 0.65 -0.27 0.00 -2.44 0.00 0.00 57.07 54.93 2wvx s TYR 328 Cb -0.04 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.41 2wvx s TYR 328 CO 0.02 -3.23 0.99 0.45 -1.34 0.00 0.00 175.55 172.44 2wvx s SER 329 N 1.42 6.87 0.00 4.32 0.15 0.46 -4.88 113.70 122.04 2wvx s SER 329 Ca 0.69 0.97 0.14 0.00 0.70 0.00 0.00 55.95 58.45 2wvx s SER 329 Cb -0.41 -2.50 0.82 0.00 -1.71 0.00 0.00 66.02 62.22 2wvx s SER 329 CO 0.31 -0.78 1.53 -0.81 1.20 0.00 0.00 173.24 174.69 2wvx n PRO 330 N 6.61 1.04 -0.09 5.44 -0.04 -1.26 -0.52 135.00 146.17 2wvx n PRO 330 Ca 0.10 -0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2wvx n PRO 330 Cb 0.47 -1.22 -0.12 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.66 0.00 -0.79 0.54 4.01 -1.26 -4.04 117.16 114.95 2wvx n TYR 331 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2wvx n TYR 331 Cb 0.06 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 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 -2.80 0.24 0.00 7.72 0.23 -1.21 -4.85 115.26 114.60 2wvx n ASN 332 Ca -0.31 -1.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 2wvx n ASN 332 Cb 1.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 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 -0.02 0.40 3.91 4.83 0.00 0.32 -5.00 105.19 109.64 2wvx n GLY 333 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.67 3.45 -0.23 1.61 -0.21 -1.26 -4.74 119.66 117.62 2wvx s GLN 334 Ca 0.00 0.07 -0.13 0.00 0.02 0.00 0.00 55.36 55.32 2wvx s GLN 334 Cb 0.00 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 2wvx s GLN 334 CO 0.00 -0.21 0.28 0.08 -2.12 0.00 0.00 175.29 173.32 2wvx s VAL 335 N -2.70 5.28 0.02 1.09 1.01 -1.26 -0.40 120.40 123.43 2wvx s VAL 335 Ca 0.47 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 2wvx s VAL 335 Cb -0.10 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2wvx s VAL 335 CO 0.43 0.29 -0.03 -0.76 0.00 0.00 0.00 175.10 175.03 2wvx s LEU 336 N 1.27 2.23 0.50 3.92 1.43 -0.13 -4.96 118.68 122.93 2wvx s LEU 336 Ca 0.13 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 2wvx s LEU 336 Cb -0.14 0.11 -0.08 0.00 0.03 0.00 0.00 46.19 46.11 2wvx s LEU 336 CO 0.07 -0.30 1.07 -2.16 0.23 0.00 0.00 176.35 175.26 2wvx s PRO 337 N -1.47 3.65 0.00 1.29 0.04 -1.26 -0.43 135.00 136.82 2wvx s PRO 337 Ca -0.16 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2wvx s PRO 337 Cb -0.10 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2wvx s PRO 337 CO -0.01 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2wvx n GLY 338 N -0.06 1.31 3.74 0.56 0.00 -0.12 -4.80 105.19 105.81 2wvx n GLY 338 Ca 0.10 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.22 -3.97 -3.60 1.61 4.01 -1.26 -3.97 117.16 109.75 2wvx n TYR 339 Ca 0.00 -1.12 -0.03 0.00 -0.16 0.00 0.00 57.90 56.59 2wvx n TYR 339 Cb 0.00 -1.05 -0.02 0.00 -0.31 0.00 0.00 39.34 37.96 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 -3.64 -0.10 0.00 -0.72 0.40 -1.26 -3.96 117.98 108.69 2wvx s PHE 341 Ca 0.74 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 2wvx s PHE 341 Cb -0.03 0.52 0.00 0.00 0.51 0.00 0.00 43.02 44.01 2wvx s PHE 341 CO 0.53 -0.18 0.00 -2.37 0.70 0.00 0.00 175.22 173.89 2wvx n THR 342 N -0.13 0.00 -3.04 0.64 5.66 -0.85 -4.84 114.28 111.72 2wvx n THR 342 Ca -0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2wvx n THR 342 Cb 0.59 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.43 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 -1.04 -2.63 -3.84 1.09 8.00 -0.12 -1.16 116.55 116.86 2wvx n ASP 343 Ca 0.00 -0.48 -0.12 0.00 0.71 0.00 0.00 54.79 54.90 2wvx n ASP 343 Cb 0.00 -4.01 -0.09 0.00 -0.02 0.00 0.00 41.12 36.99 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 0.08 -0.28 -3.53 -1.32 -1.10 -4.46 115.64 101.76 2wvx s THR 344 Ca 0.06 -0.64 -0.04 0.00 -1.21 0.00 0.00 61.69 59.86 2wvx s THR 344 Cb -0.01 -0.52 0.02 0.00 -1.51 0.00 0.00 72.50 70.48 2wvx s THR 344 CO 0.55 -0.35 0.01 -0.83 -2.21 0.00 0.00 174.62 171.79 2wvx s GLY 345 N -1.43 1.71 0.46 6.08 0.00 -1.26 -2.25 107.32 110.64 2wvx s GLY 345 Ca -0.14 -1.50 0.16 0.00 0.00 0.00 0.00 44.72 43.24 2wvx s GLY 345 CO 0.02 0.60 2.02 0.74 0.00 0.00 0.00 173.10 176.48 2wvx h PHE 346 N 8.11 0.00 -0.79 1.90 0.04 -1.25 -0.14 116.94 124.81 2wvx h PHE 346 Ca -0.31 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.63 2wvx h PHE 346 Cb 1.11 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.21 2wvx h PHE 346 CO 0.60 0.15 0.53 2.35 -0.60 0.00 0.00 178.31 181.34 2wvx h TRP 347 N 0.00 0.49 0.00 -0.55 7.01 -1.82 -1.61 115.95 119.47 2wvx h TRP 347 Ca -0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2wvx h TRP 347 Cb 0.28 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2wvx h TRP 347 CO 0.00 0.17 -0.07 -0.44 -2.79 0.00 0.00 178.44 175.31 2wvx h ASP 348 N 0.41 0.00 0.33 2.65 3.45 -1.43 -3.43 116.42 118.40 2wvx h ASP 348 Ca 0.39 -0.39 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2wvx h ASP 348 Cb 0.93 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 2wvx h ASP 348 CO -0.13 0.73 -0.29 0.35 -1.57 0.00 0.00 179.24 178.33 2wvx n THR 349 N -4.70 0.00 0.03 0.35 -2.24 -0.63 -3.26 114.28 103.84 2wvx n THR 349 Ca -0.05 -0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.66 2wvx n THR 349 Cb 0.22 0.29 0.36 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.82 0.47 0.32 4.78 -0.00 -1.57 -2.01 116.94 119.74 2wvx h PHE 350 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.93 2wvx h PHE 350 Cb 0.49 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.30 2wvx h PHE 350 CO 0.00 0.43 -0.15 0.00 -0.00 0.00 0.00 178.31 178.58 2wvx h ARG 351 N 0.46 -0.41 0.00 6.09 3.08 -1.81 -3.41 114.38 118.37 2wvx h ARG 351 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wvx h ARG 351 Cb 0.21 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wvx h ARG 351 CO -0.00 -0.21 -0.01 0.00 -1.07 0.00 0.00 179.97 178.68 2wvx h LEU 353 N 0.00 -0.38 -0.57 0.00 7.12 -1.77 -0.55 115.31 119.16 2wvx h LEU 353 Ca 0.00 -0.16 -0.04 0.00 0.13 0.00 0.00 57.88 57.81 2wvx h LEU 353 Cb 0.00 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 2wvx h LEU 353 CO 0.00 -0.01 0.19 -0.26 -0.13 0.00 0.00 178.44 178.22 2wvx h PHE 354 N -0.79 0.91 -0.90 1.25 0.04 -1.63 -1.07 116.94 114.75 2wvx h PHE 354 Ca -0.05 -0.09 0.16 0.00 2.80 0.00 0.00 57.97 60.80 2wvx h PHE 354 Cb 0.51 -0.26 -0.10 0.00 2.20 0.00 0.00 35.95 38.30 2wvx h PHE 354 CO 0.02 0.76 0.49 -1.35 -0.60 0.00 0.00 178.31 177.63 2wvx h PRO 355 N 0.80 0.65 -0.97 1.51 0.11 -1.79 -0.79 132.00 131.52 2wvx h PRO 355 Ca 0.18 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.29 2wvx h PRO 355 Cb 0.27 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.18 2wvx h PRO 355 CO -0.01 0.43 0.63 1.25 -0.21 0.00 0.00 178.00 180.09 2wvx h LEU 356 N 0.66 1.06 -0.72 2.35 5.85 0.23 -1.80 115.31 122.94 2wvx h LEU 356 Ca 0.50 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 59.10 2wvx h LEU 356 Cb 0.74 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2wvx h LEU 356 CO -0.38 0.73 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.13 2wvx h LEU 357 N 1.23 0.73 -1.53 2.25 3.38 -0.82 -2.84 115.31 117.71 2wvx h LEU 357 Ca 0.38 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2wvx h LEU 357 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2wvx h LEU 357 CO -0.11 0.95 -0.24 0.78 0.09 0.00 0.00 178.44 179.91 2wvx h ASN 358 N 0.62 0.00 0.43 -0.43 -0.26 -0.55 0.18 115.58 115.57 2wvx h ASN 358 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2wvx h ASN 358 Cb 0.75 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 2wvx h ASN 358 CO 0.06 0.24 -0.11 -0.11 -1.06 0.00 0.00 177.43 176.44 2wvx n LEU 359 N -3.87 0.39 -3.04 1.61 7.94 -0.75 -4.47 117.00 114.82 2wvx n LEU 359 Ca -0.02 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2wvx n LEU 359 Cb 0.33 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2wvx n LEU 359 CO 0.35 0.07 0.00 -1.22 -1.11 0.00 0.00 177.39 175.48 2wvx n TYR 361 N -1.06 0.00 -0.07 1.96 4.01 0.49 -4.79 117.16 117.71 2wvx n TYR 361 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.95 2wvx n TYR 361 Cb 0.28 -0.17 0.44 0.00 -0.31 0.00 0.00 39.34 39.58 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 3.47 0.52 -0.70 -0.72 0.13 -1.39 -0.70 132.00 132.61 2wvx h PRO 362 Ca 0.00 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2wvx h PRO 362 Cb 0.00 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 30.98 2wvx h PRO 362 CO 0.00 0.34 0.47 0.66 -0.23 0.00 0.00 178.00 179.24 2wvx h SER 363 N 0.53 0.77 -0.08 1.44 4.64 -1.96 -0.51 113.55 118.39 2wvx h SER 363 Ca 0.23 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2wvx h SER 363 Cb 0.23 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2wvx h SER 363 CO -0.06 0.55 -0.03 0.58 -0.87 0.00 0.00 176.83 176.99 2wvx h VAL 364 N 0.91 1.31 -0.16 0.95 2.07 -1.49 -3.00 116.25 116.83 2wvx h VAL 364 Ca 0.27 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2wvx h VAL 364 Cb -0.03 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wvx h VAL 364 CO -0.07 0.28 0.06 -1.13 0.02 0.00 0.00 177.57 176.73 2wvx h ASN 365 N -0.20 0.20 -0.43 0.57 -1.24 -1.17 -1.67 115.58 111.64 2wvx h ASN 365 Ca 0.02 -0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.09 2wvx h ASN 365 Cb 0.46 -0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.40 2wvx h ASN 365 CO 0.01 0.19 0.05 0.50 -1.29 0.00 0.00 177.43 176.89 2wvx h LYS 366 N 0.23 0.16 -0.77 6.67 1.63 -0.96 0.31 116.57 123.84 2wvx h LYS 366 Ca 0.06 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2wvx h LYS 366 Cb 0.06 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2wvx h LYS 366 CO -0.01 0.11 0.00 0.39 -3.45 0.00 0.00 179.45 176.49 2wvx n GLU 367 N -5.15 0.00 0.00 1.90 1.02 -0.63 -2.23 120.64 115.55 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 0.21 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 0.67 0.00 -0.08 3.49 1.13 0.11 -1.30 117.38 121.40 2wvx n GLN 369 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2wvx n GLN 369 Cb 0.00 0.00 0.22 0.00 0.11 0.00 0.00 30.24 30.57 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 0.72 -0.71 -1.09 4.39 -1.68 -2.13 114.58 114.08 2wvx h GLU 370 Ca 0.00 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2wvx h GLU 370 Cb 0.00 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 2wvx h GLU 370 CO 0.00 0.69 0.44 0.78 -1.16 0.00 0.00 179.01 179.76 2wvx h GLY 371 N 0.92 1.02 1.00 -3.84 0.00 -1.32 -1.58 103.07 99.27 2wvx h GLY 371 Ca 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2wvx h GLY 371 CO 0.00 0.29 0.37 1.41 0.00 0.00 0.00 176.54 178.62 2wvx h LEU 372 N 0.87 0.72 -0.63 3.11 3.38 -1.70 -0.07 115.31 120.99 2wvx h LEU 372 Ca 0.28 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wvx h LEU 372 Cb 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2wvx h LEU 372 CO -0.11 0.55 0.40 0.40 0.09 0.00 0.00 178.44 179.78 2wvx h ILE 373 N 0.82 1.11 -0.78 1.22 1.08 -1.15 -0.76 117.51 119.04 2wvx h ILE 373 Ca 0.22 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2wvx h ILE 373 Cb -0.04 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 33.92 2wvx h ILE 373 CO -0.04 0.14 0.52 0.78 -0.69 0.00 0.00 178.15 178.86 2wvx h ASN 374 N 0.79 0.89 -0.47 1.72 -0.26 -0.87 -0.89 115.58 116.50 2wvx h ASN 374 Ca 0.24 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.94 2wvx h ASN 374 Cb -0.02 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 2wvx h ASN 374 CO -0.08 0.64 0.21 0.74 -1.06 0.00 0.00 177.43 177.87 2wvx h THR 375 N 1.05 1.19 -0.60 2.81 2.02 0.05 0.13 112.91 119.56 2wvx h THR 375 Ca 0.29 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2wvx h THR 375 Cb -0.09 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2wvx h THR 375 CO -0.07 0.22 0.27 0.22 0.37 0.00 0.00 175.52 176.53 2wvx h TYR 376 N 0.61 0.87 -0.36 3.16 3.20 -0.88 -0.25 116.97 123.33 2wvx h TYR 376 Ca 0.16 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 2wvx h TYR 376 Cb 0.15 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2wvx h TYR 376 CO -0.00 0.68 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.99 2wvx h LEU 377 N 0.82 0.63 0.00 2.82 3.38 -0.81 0.23 115.31 122.37 2wvx h LEU 377 Ca 0.20 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2wvx h LEU 377 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2wvx h LEU 377 CO -0.02 0.78 -0.94 -0.33 0.09 0.00 0.00 178.44 178.02 2wvx h GLU 378 N 0.58 0.00 0.00 1.13 5.08 -0.77 -3.39 114.58 117.21 2wvx h GLU 378 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wvx h GLU 378 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wvx h GLU 378 CO 0.04 0.33 -0.30 -1.13 -1.00 0.00 0.00 179.01 176.95 2wvx n SER 379 N -3.01 1.51 0.00 1.42 3.41 -0.12 -4.47 113.62 112.35 2wvx n SER 379 Ca -0.03 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2wvx n SER 379 Cb 0.75 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 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 1.29 1.88 2.98 5.00 0.00 0.79 -5.02 105.19 112.11 2wvx n GLY 380 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.77 0.36 0.53 1.61 0.40 -1.24 -4.97 117.98 111.90 2wvx s PHE 381 Ca 0.00 -0.36 -0.20 0.00 -0.60 0.00 0.00 56.93 55.77 2wvx s PHE 381 Cb 0.00 -0.23 -0.06 0.00 0.51 0.00 0.00 43.02 43.24 2wvx s PHE 381 CO 0.00 -0.10 1.16 -0.06 0.70 0.00 0.00 175.22 176.92 2wvx s PHE 382 N -0.98 2.66 0.65 0.36 0.08 -1.26 -3.50 117.98 115.99 2wvx s PHE 382 Ca -0.09 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.38 2wvx s PHE 382 Cb -0.07 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 2wvx s PHE 382 CO -0.00 -1.73 1.05 -1.25 -0.10 0.00 0.00 175.22 173.19 2wvx s PRO 383 N -3.12 3.34 0.05 0.24 0.04 -1.26 -4.51 135.00 129.78 2wvx s PRO 383 Ca 0.71 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 2wvx s PRO 383 Cb -0.27 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 2wvx s PRO 383 CO 0.31 -0.74 -0.02 0.39 0.04 0.00 0.00 177.00 176.97 2wvx n GLU 384 N -2.86 0.04 -4.08 4.56 -0.58 -1.26 -4.54 120.64 111.91 2wvx n GLU 384 Ca 0.06 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.47 2wvx n GLU 384 Cb 0.55 -0.43 -0.13 0.00 -0.57 0.00 0.00 31.44 30.85 2wvx n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2wvx s TRP 385 N -1.78 2.97 -0.08 -0.32 -0.00 -1.26 -0.65 118.94 117.83 2wvx s TRP 385 Ca -0.02 -0.70 0.01 0.00 -0.00 0.00 0.00 56.10 55.39 2wvx s TRP 385 Cb 0.00 -2.06 0.02 0.00 -0.00 0.00 0.00 33.47 31.43 2wvx s TRP 385 CO 0.03 -0.38 -0.08 0.00 -0.00 0.00 0.00 176.95 176.53 2wvx s ALA 386 N 1.14 1.09 -0.44 5.86 0.00 -0.96 -1.54 121.76 126.92 2wvx s ALA 386 Ca 0.02 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.68 2wvx s ALA 386 Cb -0.15 -0.67 0.19 0.00 0.00 0.00 0.00 23.12 22.49 2wvx s ALA 386 CO -0.00 -0.15 0.76 0.45 0.00 0.00 0.00 175.76 176.81 2wvx s SER 387 N 1.21 -1.26 0.06 0.00 0.15 -1.26 -0.94 113.70 111.66 2wvx s SER 387 Ca -0.05 -1.08 0.10 0.00 0.70 0.00 0.00 55.95 55.63 2wvx s SER 387 Cb -0.14 1.64 -0.19 0.00 -1.71 0.00 0.00 66.02 65.61 2wvx s SER 387 CO -0.02 -0.09 1.02 1.55 1.20 0.00 0.00 173.24 176.90 2wvx h PRO 388 N 5.75 0.00 0.00 5.44 0.13 -1.78 -3.43 132.00 138.11 2wvx h PRO 388 Ca 0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 2wvx h PRO 388 Cb 1.16 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.33 2wvx h PRO 388 CO 0.03 0.72 0.10 0.41 -0.23 0.00 0.00 178.00 179.03 2wvx n GLY 389 N 1.42 -0.31 3.73 1.56 0.00 0.48 -4.67 105.19 107.40 2wvx n GLY 389 Ca -0.07 -1.83 -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 -1.58 2.94 0.03 1.61 3.76 -1.26 -4.34 115.29 116.45 2wvx s HIS 390 Ca 0.27 0.56 0.06 0.00 -0.15 0.00 0.00 55.06 55.80 2wvx s HIS 390 Cb -0.01 -4.04 -0.02 0.00 1.11 0.00 0.00 32.58 29.62 2wvx s HIS 390 CO 0.18 -3.78 -0.19 1.03 -0.85 0.00 0.00 174.74 171.14 2wvx s ARG 391 N 0.74 1.30 -0.66 1.40 1.81 -0.59 -4.40 118.95 118.55 2wvx s ARG 391 Ca 0.70 -0.82 -0.25 0.00 -1.72 0.00 0.00 55.73 53.64 2wvx s ARG 391 Cb -0.47 -1.35 0.05 0.00 -0.45 0.00 0.00 34.95 32.73 2wvx s ARG 391 CO 0.35 0.35 1.09 0.20 -0.68 0.00 0.00 175.30 176.62 2wvx s GLY 392 N -0.98 1.18 -0.47 -3.53 0.00 -1.26 -4.47 107.32 97.79 2wvx s GLY 392 Ca 0.06 -1.46 0.05 0.00 0.00 0.00 0.00 44.72 43.37 2wvx s GLY 392 CO 0.01 2.31 0.96 0.00 0.00 0.00 0.00 173.10 176.38 2wvx s VAL 395 N 0.58 2.17 0.00 0.00 -7.23 -1.26 -4.66 120.40 110.01 2wvx s VAL 395 Ca 0.30 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2wvx s VAL 395 Cb 0.23 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2wvx s VAL 395 CO -0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2wvx n GLY 396 N -1.29 0.34 2.32 2.32 0.00 -1.26 -4.63 105.19 102.99 2wvx n GLY 396 Ca -0.02 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.29 4.24 0.00 1.61 4.05 -1.26 -4.86 115.26 118.75 2wvx n ASN 397 Ca 0.00 -3.48 0.13 0.00 0.45 0.00 0.00 54.58 51.67 2wvx n ASN 397 Cb 0.00 -0.41 0.65 0.00 1.23 0.00 0.00 39.78 41.25 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 -0.57 0.00 -0.08 1.20 3.02 -1.26 -1.42 115.26 116.16 2wvx n ASN 398 Ca 0.36 -0.05 0.22 0.00 -0.03 0.00 0.00 54.58 55.07 2wvx n ASN 398 Cb 0.83 -0.30 0.67 0.00 -0.61 0.00 0.00 39.78 40.38 2wvx n ASN 398 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2wvx h SER 399 N 0.00 0.06 -0.90 6.41 4.64 -1.90 -0.92 113.55 120.93 2wvx h SER 399 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wvx h SER 399 Cb 0.25 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 2wvx h SER 399 CO 0.00 0.03 0.52 0.00 -0.87 0.00 0.00 176.83 176.51 2wvx h ALA 400 N 1.67 1.16 -0.29 5.18 0.00 -1.60 0.63 119.26 126.00 2wvx h ALA 400 Ca 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wvx h ALA 400 Cb 1.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wvx h ALA 400 CO -0.02 0.64 0.02 1.03 0.00 0.00 0.00 179.25 180.91 2wvx h SER 401 N 1.26 0.50 0.30 0.00 0.87 -1.39 -1.48 113.55 113.60 2wvx h SER 401 Ca 0.32 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2wvx h SER 401 Cb -0.01 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2wvx h SER 401 CO -0.06 0.67 -0.42 0.40 -0.53 0.00 0.00 176.83 176.89 2wvx h ILE 402 N 0.31 0.15 -0.25 2.23 1.08 -0.85 0.18 117.51 120.36 2wvx h ILE 402 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 2wvx h ILE 402 Cb 0.40 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 2wvx h ILE 402 CO 0.01 0.00 0.07 -0.07 -0.69 0.00 0.00 178.15 177.48 2wvx h LEU 403 N -0.78 0.07 -0.22 1.44 3.38 -0.91 -2.35 115.31 115.94 2wvx h LEU 403 Ca -0.02 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 2wvx h LEU 403 Cb 0.73 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.51 2wvx h LEU 403 CO -0.14 0.07 -0.85 0.58 0.09 0.00 0.00 178.44 178.20 2wvx h VAL 404 N 0.18 1.34 -0.83 1.22 2.07 -1.15 -2.33 116.25 116.75 2wvx h VAL 404 Ca 0.11 -2.19 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 2wvx h VAL 404 Cb 0.09 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2wvx h VAL 404 CO -0.12 0.67 0.42 -0.78 0.02 0.00 0.00 177.57 177.77 2wvx h ASP 405 N 0.35 1.07 0.32 0.57 3.58 -0.60 -2.84 116.42 118.88 2wvx h ASP 405 Ca -0.06 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2wvx h ASP 405 Cb 1.46 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2wvx h ASP 405 CO 0.16 0.89 -0.16 0.00 -2.88 0.00 0.00 179.24 177.25 2wvx h ALA 406 N 1.28 -0.44 0.00 -0.78 0.00 -1.36 -2.51 119.26 115.45 2wvx h ALA 406 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wvx h ALA 406 Cb 0.09 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wvx h ALA 406 CO -0.04 -0.66 0.00 0.98 0.00 0.00 0.00 179.25 179.53 2wvx n TYR 407 N -5.21 0.00 0.00 0.00 4.19 -0.88 -0.67 117.16 114.58 2wvx n TYR 407 Ca -0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.11 2wvx n TYR 407 Cb 0.24 -0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.04 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 0.56 0.00 -0.73 2.98 5.02 -0.95 -4.10 118.16 120.95 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 0.65 3.34 0.72 0.00 -1.00 -4.99 105.19 103.91 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 -2.10 5.24 -0.26 1.61 1.01 0.15 -5.02 120.40 121.04 2wvx s VAL 411 Ca 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.19 2wvx s VAL 411 Cb 0.00 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.96 2wvx s VAL 411 CO 0.00 -1.04 -0.05 -0.54 0.00 0.00 0.00 175.10 173.47 2wvx s LYS 412 N 1.37 2.71 0.88 2.72 1.02 -1.26 -2.84 119.74 124.33 2wvx s LYS 412 Ca 0.13 -1.06 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2wvx s LYS 412 Cb -0.19 -3.02 0.13 0.00 -0.52 0.00 0.00 37.83 34.22 2wvx s LYS 412 CO -0.02 -0.46 1.17 0.14 -0.92 0.00 0.00 175.35 175.26 2wvx s VAL 413 N 1.30 2.00 0.25 3.17 -7.23 -1.26 -4.93 120.40 113.70 2wvx s VAL 413 Ca -0.02 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.14 2wvx s VAL 413 Cb -0.18 -2.15 0.07 0.00 0.56 0.00 0.00 36.38 34.68 2wvx s VAL 413 CO -0.04 -0.00 1.70 0.44 -0.31 0.00 0.00 175.10 176.90 2wvx h ASP 414 N -1.54 0.69 -3.36 4.85 3.32 -1.98 -3.38 116.42 115.02 2wvx h ASP 414 Ca -0.44 -0.21 -0.71 0.00 0.02 0.00 0.00 57.03 55.68 2wvx h ASP 414 Cb 1.28 -0.19 -0.35 0.00 0.22 0.00 0.00 39.33 40.30 2wvx h ASP 414 CO 0.43 0.85 -0.06 -0.62 -1.72 0.00 0.00 179.24 178.13 2wvx s ASP 415 N -6.73 6.09 0.39 6.45 -1.08 -1.26 -4.88 116.67 115.65 2wvx s ASP 415 Ca -0.09 -3.70 0.16 0.00 -0.52 0.00 0.00 52.55 48.41 2wvx s ASP 415 Cb 0.14 -1.93 0.81 0.00 -1.46 0.00 0.00 42.92 40.48 2wvx s ASP 415 CO 0.81 -0.19 1.83 0.40 0.52 0.00 0.00 175.17 178.54 2wvx h ILE 416 N 4.06 1.08 0.14 4.11 2.04 -1.99 -1.83 117.51 125.11 2wvx h ILE 416 Ca 0.16 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2wvx h ILE 416 Cb 0.82 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2wvx h ILE 416 CO 0.87 0.34 -0.07 0.50 0.00 0.00 0.00 178.15 179.79 2wvx h LYS 417 N 0.00 -0.18 -0.87 2.37 3.64 -1.97 -0.83 116.57 118.73 2wvx h LYS 417 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2wvx h LYS 417 Cb 0.69 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 2wvx h LYS 417 CO 0.05 -0.01 0.57 1.15 -2.27 0.00 0.00 179.45 178.93 2wvx h THR 418 N -0.32 1.23 -0.17 1.00 2.02 -1.94 -1.48 112.91 113.25 2wvx h THR 418 Ca -0.02 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 66.79 2wvx h THR 418 Cb 0.25 -0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.56 2wvx h THR 418 CO 0.03 0.22 -0.29 0.25 0.37 0.00 0.00 175.52 176.10 2wvx h LEU 419 N 1.18 -0.91 -0.35 2.58 7.12 -1.02 -0.78 115.31 123.12 2wvx h LEU 419 Ca 0.32 0.14 -0.04 0.00 0.13 0.00 0.00 57.88 58.43 2wvx h LEU 419 Cb -0.12 0.40 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 2wvx h LEU 419 CO -0.07 -0.33 0.07 0.22 -0.13 0.00 0.00 178.44 178.21 2wvx h TYR 420 N -0.34 0.61 -0.91 1.25 3.20 -0.75 -1.85 116.97 118.18 2wvx h TYR 420 Ca 0.11 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2wvx h TYR 420 Cb 0.51 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 2wvx h TYR 420 CO -0.40 0.62 0.56 0.93 -1.64 0.00 0.00 178.16 178.23 2wvx h GLU 421 N 0.42 0.96 -0.34 1.82 5.08 -1.10 -1.46 114.58 119.97 2wvx h GLU 421 Ca 0.11 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2wvx h GLU 421 Cb 0.33 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2wvx h GLU 421 CO 0.00 0.64 -0.18 0.78 -1.00 0.00 0.00 179.01 179.25 2wvx h GLY 422 N 0.99 0.68 0.81 -3.84 0.00 -0.66 0.25 103.07 101.29 2wvx h GLY 422 Ca 0.41 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2wvx h GLY 422 CO -0.20 0.49 0.02 1.41 0.00 0.00 0.00 176.54 178.26 2wvx h LEU 423 N 0.56 0.12 -0.52 3.11 3.38 -0.59 -1.93 115.31 119.44 2wvx h LEU 423 Ca 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wvx h LEU 423 Cb 0.63 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2wvx h LEU 423 CO 0.04 0.31 0.32 0.40 0.09 0.00 0.00 178.44 179.61 2wvx h ILE 424 N -0.08 1.15 -0.90 1.22 1.08 -1.14 -2.06 117.51 116.78 2wvx h ILE 424 Ca 0.03 -0.31 0.12 0.00 -0.39 0.00 0.00 64.86 64.30 2wvx h ILE 424 Cb 0.24 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 2wvx h ILE 424 CO 0.00 0.15 0.58 -0.74 -0.69 0.00 0.00 178.15 177.45 2wvx h HIS 425 N 0.70 0.92 0.00 1.37 2.76 -0.87 -1.33 115.15 118.70 2wvx h HIS 425 Ca 0.19 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2wvx h HIS 425 Cb -0.04 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.62 2wvx h HIS 425 CO -0.03 0.38 -0.12 0.78 -1.30 0.00 0.00 177.93 177.64 2wvx h GLY 426 N 0.82 0.00 2.00 5.26 0.00 -0.62 -2.85 103.07 107.68 2wvx h GLY 426 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2wvx h GLY 426 CO -0.20 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.43 2wvx h THR 427 N 0.00 0.00 0.00 4.70 1.35 -1.04 -3.20 112.91 114.72 2wvx h THR 427 Ca -0.00 -0.50 -0.07 0.00 -0.55 0.00 0.00 66.41 65.29 2wvx h THR 427 Cb 0.62 1.46 -0.15 0.00 -1.73 0.00 0.00 68.15 68.35 2wvx h THR 427 CO 0.02 0.00 -0.64 -1.84 -0.25 0.00 0.00 175.52 172.81 2wvx n GLU 428 N -2.36 0.69 -3.70 4.72 0.28 -1.09 -4.89 120.64 114.30 2wvx n GLU 428 Ca 0.05 -2.35 -0.14 0.00 -0.16 0.00 0.00 57.16 54.56 2wvx n GLU 428 Cb 0.41 -0.81 -0.08 0.00 1.43 0.00 0.00 31.44 32.39 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 -2.37 -0.31 -0.01 -1.84 0.01 -1.15 -5.03 114.94 104.26 2wvx s ASN 429 Ca 0.30 0.23 0.05 0.00 -0.71 0.00 0.00 52.86 52.72 2wvx s ASN 429 Cb 0.31 0.37 -0.01 0.00 0.41 0.00 0.00 41.25 42.33 2wvx s ASN 429 CO -0.08 -0.50 -0.15 0.54 -1.51 0.00 0.00 177.10 175.40 2wvx s VAL 430 N -1.36 1.15 0.35 1.60 0.11 -1.26 -0.71 120.40 120.28 2wvx s VAL 430 Ca -0.13 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 57.99 2wvx s VAL 430 Cb -0.04 -0.97 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 2wvx s VAL 430 CO 0.05 0.30 1.47 -2.28 -3.33 0.00 0.00 175.10 171.31 2wvx s HIS 431 N -0.38 2.73 -0.53 1.54 2.46 0.16 -4.91 115.29 116.36 2wvx s HIS 431 Ca 0.05 1.15 0.25 0.00 0.47 0.00 0.00 55.06 56.98 2wvx s HIS 431 Cb -0.06 -3.95 0.92 0.00 -0.13 0.00 0.00 32.58 29.36 2wvx s HIS 431 CO -0.00 -2.85 1.75 -1.00 -2.47 0.00 0.00 174.74 170.17 2wvx h PRO 432 N 3.50 0.00 0.00 2.88 0.13 -2.00 -3.23 132.00 133.28 2wvx h PRO 432 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2wvx h PRO 432 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2wvx h PRO 432 CO 0.68 0.00 -1.47 0.39 -0.23 0.00 0.00 178.00 177.37 2wvx n GLU 433 N -2.34 1.42 -3.86 0.86 -0.58 -1.26 -4.97 120.64 109.91 2wvx n GLU 433 Ca 0.03 -0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 2wvx n GLU 433 Cb 0.32 -1.20 -0.15 0.00 -0.57 0.00 0.00 31.44 29.84 2wvx n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wvx s VAL 434 N -2.40 1.48 0.02 2.62 1.01 -1.22 -4.96 120.40 116.93 2wvx s VAL 434 Ca -0.04 -1.77 0.32 0.00 0.00 0.00 0.00 61.98 60.49 2wvx s VAL 434 Cb 0.04 -2.08 0.35 0.00 0.00 0.00 0.00 36.38 34.68 2wvx s VAL 434 CO 0.34 -0.61 1.95 0.77 0.00 0.00 0.00 175.10 177.55 2wvx h SER 435 N 7.89 0.00 -0.02 3.32 4.64 -1.93 -1.35 113.55 126.10 2wvx h SER 435 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2wvx h SER 435 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wvx h SER 435 CO 0.49 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.91 2wvx n SER 436 N -2.78 0.96 -4.57 4.97 3.41 -1.26 -4.02 113.62 110.32 2wvx n SER 436 Ca 0.00 -1.35 -0.34 0.00 -0.26 0.00 0.00 58.87 56.92 2wvx n SER 436 Cb 0.22 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.99 4.45 0.00 6.66 2.01 -0.51 -4.57 115.64 121.70 2wvx s THR 437 Ca 0.40 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2wvx s THR 437 Cb 0.21 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.72 2wvx s THR 437 CO 0.34 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 2wvx n GLY 438 N 3.65 -1.42 3.09 4.40 0.00 -1.26 -0.67 105.19 112.99 2wvx n GLY 438 Ca -0.17 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 2.27 0.16 1.61 0.52 0.11 -4.76 118.95 118.86 2wvx s ARG 439 Ca 0.00 -2.23 -0.33 0.00 -0.52 0.00 0.00 55.73 52.65 2wvx s ARG 439 Cb 0.00 -3.63 -0.13 0.00 0.52 0.00 0.00 34.95 31.71 2wvx s ARG 439 CO 0.00 -1.12 1.68 -0.11 0.02 0.00 0.00 175.30 175.77 2wvx n LEU 440 N 3.94 3.58 0.00 2.53 7.94 -1.26 -2.08 117.00 131.66 2wvx n LEU 440 Ca 0.03 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2wvx n LEU 440 Cb 0.39 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.84 2wvx n LEU 440 CO 0.33 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 2wvx n GLY 441 N 3.78 0.49 0.26 -3.96 0.00 -1.26 -4.96 105.19 99.54 2wvx n GLY 441 Ca 0.17 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 0.24 0.16 1.61 -0.00 -1.76 -1.65 116.97 115.57 2wvx h TYR 442 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 2wvx h TYR 442 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 36.64 2wvx h TYR 442 CO 0.00 0.25 -0.14 0.93 -0.00 0.00 0.00 178.16 179.20 2wvx h GLU 443 N 0.24 -0.30 -0.58 0.10 3.07 -1.92 0.30 114.58 115.49 2wvx h GLU 443 Ca 0.06 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2wvx h GLU 443 Cb 0.16 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2wvx h GLU 443 CO 0.00 -0.20 0.20 1.88 -1.40 0.00 0.00 179.01 179.49 2wvx h TYR 444 N -0.31 0.92 -0.45 4.33 0.05 -1.79 -2.03 116.97 117.69 2wvx h TYR 444 Ca -0.00 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.63 2wvx h TYR 444 Cb 0.29 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2wvx h TYR 444 CO -0.12 0.76 0.04 -0.92 -1.05 0.00 0.00 178.16 176.87 2wvx h TYR 445 N 0.81 0.82 -0.17 4.88 3.20 -0.93 0.30 116.97 125.88 2wvx h TYR 445 Ca 0.19 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2wvx h TYR 445 Cb 0.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2wvx h TYR 445 CO 0.02 0.79 -0.29 -0.91 -1.64 0.00 0.00 178.16 176.12 2wvx h ASN 446 N 0.61 0.33 0.15 -2.11 -0.26 -0.34 -0.55 115.58 113.41 2wvx h ASN 446 Ca 0.13 -0.11 -0.31 0.00 -0.56 0.00 0.00 56.30 55.45 2wvx h ASN 446 Cb 0.43 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2wvx h ASN 446 CO 0.02 0.62 -1.57 0.50 -1.06 0.00 0.00 177.43 175.94 2wvx h LYS 447 N 0.29 0.32 0.00 0.81 3.64 -1.06 -3.41 116.57 117.16 2wvx h LYS 447 Ca 0.04 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2wvx h LYS 447 Cb 0.66 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2wvx h LYS 447 CO 0.05 1.26 -1.45 1.28 -2.27 0.00 0.00 179.45 178.32 2wvx n LEU 448 N -3.77 0.16 0.00 5.20 4.77 0.10 -5.00 117.00 118.47 2wvx n LEU 448 Ca -0.25 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2wvx n LEU 448 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2wvx n LEU 448 CO 0.46 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2wvx n GLY 449 N 1.58 0.78 3.51 -0.72 0.00 -0.22 -5.03 105.19 105.10 2wvx n GLY 449 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.41 -0.33 1.61 1.13 -1.25 -4.73 117.35 111.23 2wvx s TYR 450 Ca 0.00 0.42 -0.22 0.00 -1.41 0.00 0.00 57.07 55.86 2wvx s TYR 450 Cb 0.00 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.37 2wvx s TYR 450 CO 0.00 -0.54 0.72 0.08 -2.51 0.00 0.00 175.55 173.31 2wvx s VAL 451 N -2.50 4.83 0.86 -3.49 1.01 -1.26 -3.53 120.40 116.31 2wvx s VAL 451 Ca 0.01 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 2wvx s VAL 451 Cb -0.01 -4.12 0.11 0.00 0.00 0.00 0.00 36.38 32.37 2wvx s VAL 451 CO -0.05 -0.28 1.12 -2.84 0.00 0.00 0.00 175.10 173.05 2wvx s PRO 452 N 2.87 1.51 0.41 2.72 0.02 -1.26 -4.55 135.00 136.73 2wvx s PRO 452 Ca 0.29 1.40 0.22 0.00 0.02 0.00 0.00 61.00 62.93 2wvx s PRO 452 Cb -0.14 -1.80 0.30 0.00 0.02 0.00 0.00 34.50 32.88 2wvx s PRO 452 CO 0.14 -2.24 1.56 -0.92 -0.33 0.00 0.00 177.00 175.21 2wvx h TYR 453 N -1.58 0.00 -0.29 6.54 5.03 -1.00 -3.37 116.97 122.31 2wvx h TYR 453 Ca -0.43 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 60.69 2wvx h TYR 453 Cb 1.25 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 39.40 2wvx h TYR 453 CO 0.53 0.03 -0.45 -0.40 -1.32 0.00 0.00 178.16 176.56 2wvx n ASP 454 N -3.08 2.81 -0.48 -2.11 5.75 -1.26 -4.68 116.55 113.49 2wvx n ASP 454 Ca 0.04 -3.85 0.08 0.00 -0.01 0.00 0.00 54.79 51.05 2wvx n ASP 454 Cb 0.55 -0.52 0.19 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 -1.02 2.11 -1.41 2.12 0.24 -1.26 -4.90 118.33 114.21 2wvx n VAL 455 Ca 0.29 -2.36 -0.12 0.00 -2.04 0.00 0.00 64.34 60.11 2wvx n VAL 455 Cb 0.83 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.90 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 -1.12 -0.87 -3.84 7.34 4.01 -1.26 -4.99 118.16 117.43 2wvx n LYS 456 Ca 0.20 0.92 -0.36 0.00 -0.51 0.00 0.00 58.31 58.56 2wvx n LYS 456 Cb 0.76 -4.95 -0.13 0.00 -0.51 0.00 0.00 35.03 30.20 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 -2.47 3.17 0.81 -0.18 1.01 -1.26 -5.10 121.20 117.17 2wvx s ILE 457 Ca 0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 2wvx s ILE 457 Cb 0.00 -3.00 0.08 0.00 0.01 0.00 0.00 42.46 39.55 2wvx s ILE 457 CO 0.00 -0.39 1.12 0.20 0.00 0.00 0.00 174.94 175.87 2wvx s ASN 458 N 1.51 4.00 -1.39 3.58 0.01 -1.26 -3.55 114.94 117.84 2wvx s ASN 458 Ca 0.02 1.99 0.00 0.00 -0.71 0.00 0.00 52.86 54.16 2wvx s ASN 458 Cb -0.21 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2wvx s ASN 458 CO -0.02 -2.38 0.00 -0.62 -1.51 0.00 0.00 177.10 172.57 2wvx n GLU 459 N -3.64 -1.26 0.12 -0.60 4.71 0.10 -4.89 120.64 115.19 2wvx n GLU 459 Ca 0.10 0.79 0.02 0.00 -0.01 0.00 0.00 57.16 58.07 2wvx n GLU 459 Cb 0.52 -5.17 0.39 0.00 -1.01 0.00 0.00 31.44 26.17 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 0.21 0.26 1.62 -1.07 -1.55 -1.36 115.58 113.68 2wvx h ASN 460 Ca -0.38 -0.04 -0.33 0.00 0.07 0.00 0.00 56.30 55.62 2wvx h ASN 460 Cb 1.26 -0.05 0.04 0.00 -2.07 0.00 0.00 38.32 37.50 2wvx h ASN 460 CO 0.45 0.38 -1.44 0.00 0.07 0.00 0.00 177.43 176.89 2wvx h ALA 461 N 1.64 -0.13 -0.13 4.14 0.00 -0.77 -2.60 119.26 121.42 2wvx h ALA 461 Ca 0.04 -0.85 0.04 0.00 0.00 0.00 0.00 54.91 54.15 2wvx h ALA 461 Cb 0.40 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2wvx h ALA 461 CO 0.02 0.70 -0.16 0.00 0.00 0.00 0.00 179.25 179.82 2wvx h ALA 462 N 0.19 -0.08 -0.78 0.00 0.00 -1.25 -1.23 119.26 116.11 2wvx h ALA 462 Ca -0.24 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.82 2wvx h ALA 462 Cb 2.13 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 20.16 2wvx h ALA 462 CO 0.27 -0.61 0.41 0.00 0.00 0.00 0.00 179.25 179.32 2wvx h ARG 463 N -0.20 0.65 -0.55 0.00 3.08 -1.30 -1.55 114.38 114.52 2wvx h ARG 463 Ca 0.09 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2wvx h ARG 463 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2wvx h ARG 463 CO -0.24 0.43 -0.10 1.15 -1.07 0.00 0.00 179.97 180.13 2wvx h THR 464 N 0.67 1.27 -0.32 2.04 2.02 -0.96 0.36 112.91 117.99 2wvx h THR 464 Ca 0.39 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 2wvx h THR 464 Cb 0.43 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2wvx h THR 464 CO -0.28 0.45 -0.19 -0.07 0.37 0.00 0.00 175.52 175.80 2wvx h LEU 465 N 0.93 0.72 -0.52 2.58 3.38 -0.84 -2.20 115.31 119.36 2wvx h LEU 465 Ca 0.14 -0.42 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 2wvx h LEU 465 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2wvx h LEU 465 CO 0.05 0.99 -0.52 -0.33 0.09 0.00 0.00 178.44 178.72 2wvx h GLU 466 N 0.46 0.59 -0.83 1.13 5.08 -1.16 -2.94 114.58 116.91 2wvx h GLU 466 Ca 0.07 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2wvx h GLU 466 Cb 0.73 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2wvx h GLU 466 CO 0.05 0.97 0.55 1.88 -1.00 0.00 0.00 179.01 181.46 2wvx h TYR 467 N 0.46 1.00 -0.45 4.33 0.05 -0.80 0.92 116.97 122.47 2wvx h TYR 467 Ca 0.02 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2wvx h TYR 467 Cb 1.06 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 2wvx h TYR 467 CO 0.05 0.58 0.08 0.00 -1.05 0.00 0.00 178.16 177.82 2wvx h ALA 468 N 1.51 0.60 -0.44 3.88 0.00 -1.25 0.56 119.26 124.12 2wvx h ALA 468 Ca 0.33 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2wvx h ALA 468 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wvx h ALA 468 CO -0.10 0.31 -0.05 -0.92 0.00 0.00 0.00 179.25 178.49 2wvx h TYR 469 N 0.61 0.91 -0.43 0.00 3.20 -1.32 -0.15 116.97 119.78 2wvx h TYR 469 Ca 0.14 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2wvx h TYR 469 Cb 0.37 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2wvx h TYR 469 CO 0.02 0.90 0.26 -0.44 -1.64 0.00 0.00 178.16 177.26 2wvx h ASP 470 N 0.65 0.51 0.08 -2.11 3.32 -0.22 -0.60 116.42 118.05 2wvx h ASP 470 Ca 0.12 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 2wvx h ASP 470 Cb 0.57 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2wvx h ASP 470 CO 0.03 0.40 -0.71 0.44 -1.72 0.00 0.00 179.24 177.68 2wvx h ASP 471 N 0.59 0.67 -0.93 6.45 3.32 0.61 -1.56 116.42 125.57 2wvx h ASP 471 Ca 0.16 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.82 2wvx h ASP 471 Cb -0.02 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 2wvx h ASP 471 CO -0.03 1.18 0.61 -0.25 -1.72 0.00 0.00 179.24 179.03 2wvx h TRP 472 N 0.40 1.13 -0.17 4.55 7.01 -0.11 -0.34 115.95 128.42 2wvx h TRP 472 Ca -0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2wvx h TRP 472 Cb 1.30 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2wvx h TRP 472 CO 0.06 0.65 0.09 0.00 -2.79 0.00 0.00 178.44 176.45 2wvx h ILE 474 N 0.17 1.23 -0.74 0.00 2.04 -0.97 -2.30 117.51 116.93 2wvx h ILE 474 Ca 0.06 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2wvx h ILE 474 Cb 0.07 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 35.94 2wvx h ILE 474 CO -0.01 0.23 0.49 0.22 0.00 0.00 0.00 178.15 179.09 2wvx h TYR 475 N 1.29 0.93 -0.09 1.37 5.03 -0.65 0.76 116.97 125.61 2wvx h TYR 475 Ca 0.36 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.71 2wvx h TYR 475 Cb -0.13 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 37.82 2wvx h TYR 475 CO -0.00 0.59 -0.03 0.00 -1.32 0.00 0.00 178.16 177.40 2wvx h ARG 476 N 1.00 -0.01 -0.46 1.82 2.47 -0.60 -1.53 114.38 117.08 2wvx h ARG 476 Ca 0.27 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.86 2wvx h ARG 476 Cb -0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 2wvx h ARG 476 CO -0.06 -0.00 -0.22 1.25 0.56 0.00 0.00 179.97 181.50 2wvx h LEU 477 N -0.01 0.97 -0.84 3.04 5.85 -1.16 -1.48 115.31 121.68 2wvx h LEU 477 Ca 0.04 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2wvx h LEU 477 Cb 0.07 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2wvx h LEU 477 CO -0.10 1.14 0.55 0.00 -0.34 0.00 0.00 178.44 179.69 2wvx h ALA 478 N 0.93 1.08 -0.24 1.25 0.00 -0.64 0.39 119.26 122.03 2wvx h ALA 478 Ca 0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2wvx h ALA 478 Cb 0.78 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wvx h ALA 478 CO 0.06 0.42 -0.61 -0.22 0.00 0.00 0.00 179.25 178.91 2wvx h LYS 479 N 1.09 0.83 -0.59 0.00 3.64 -1.16 -1.40 116.57 118.99 2wvx h LYS 479 Ca 0.32 -0.58 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 2wvx h LYS 479 Cb -0.07 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2wvx h LYS 479 CO -0.09 1.20 0.28 1.49 -2.27 0.00 0.00 179.45 180.07 2wvx h GLU 480 N 0.60 0.83 -0.01 1.90 4.57 -0.81 -2.61 114.58 119.04 2wvx h GLU 480 Ca -0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2wvx h GLU 480 Cb 1.23 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2wvx h GLU 480 CO 0.13 0.64 0.00 1.28 -1.18 0.00 0.00 179.01 179.89 2wvx n LEU 481 N -4.36 0.57 -3.60 1.64 4.32 0.13 -4.91 117.00 110.79 2wvx n LEU 481 Ca 0.05 -0.20 -0.24 0.00 -0.02 0.00 0.00 56.01 55.60 2wvx n LEU 481 Cb 0.13 -0.01 0.08 0.00 -1.62 0.00 0.00 43.42 42.00 2wvx n LEU 481 CO 0.38 0.10 0.24 0.29 -1.22 0.00 0.00 177.39 177.18 2wvx n LYS 482 N -0.53 -7.91 -1.09 3.23 4.01 -0.95 -5.00 118.16 109.92 2wvx n LYS 482 Ca 0.21 0.82 -0.29 0.00 -0.51 0.00 0.00 58.31 58.54 2wvx n LYS 482 Cb 0.20 -5.88 0.16 0.00 -0.51 0.00 0.00 35.03 29.00 2wvx n LYS 482 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wvx s ARG 483 N -6.30 0.75 0.24 1.97 1.81 -0.57 -4.95 118.95 111.90 2wvx s ARG 483 Ca 0.58 0.77 -0.31 0.00 -1.72 0.00 0.00 55.73 55.05 2wvx s ARG 483 Cb -0.25 -1.75 -0.14 0.00 -0.45 0.00 0.00 34.95 32.35 2wvx s ARG 483 CO 0.73 -2.58 1.28 -2.30 -0.68 0.00 0.00 175.30 171.75 2wvx n PRO 484 N -4.11 1.73 -0.02 3.54 -0.02 -1.26 -4.79 135.00 130.07 2wvx n PRO 484 Ca 0.06 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.34 2wvx n PRO 484 Cb 0.55 -2.18 0.65 0.00 -0.02 0.00 0.00 33.50 32.50 2wvx n PRO 484 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wvx h LYS 485 N 3.49 0.08 -0.86 -0.52 3.11 -1.99 0.12 116.57 120.01 2wvx h LYS 485 Ca -0.44 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.42 2wvx h LYS 485 Cb 1.30 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.47 2wvx h LYS 485 CO 0.71 0.05 0.56 -0.22 -2.81 0.00 0.00 179.45 177.74 2wvx h LYS 486 N 0.08 1.10 -0.13 1.90 3.64 -1.99 -0.46 116.57 120.71 2wvx h LYS 486 Ca 0.26 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2wvx h LYS 486 Cb 0.93 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2wvx h LYS 486 CO -0.02 0.73 -0.01 0.93 -2.27 0.00 0.00 179.45 178.80 2wvx h GLU 487 N 1.13 0.24 -0.75 1.90 5.08 -1.10 -2.40 114.58 118.67 2wvx h GLU 487 Ca 0.33 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2wvx h GLU 487 Cb -0.07 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.08 2wvx h GLU 487 CO -0.09 0.50 0.36 0.82 -1.00 0.00 0.00 179.01 179.60 2wvx h ILE 488 N -0.05 0.79 -0.49 3.13 2.04 -1.18 -2.09 117.51 119.66 2wvx h ILE 488 Ca 0.04 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 2wvx h ILE 488 Cb 0.40 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2wvx h ILE 488 CO 0.01 0.11 -0.11 0.28 0.00 0.00 0.00 178.15 178.43 2wvx h SER 489 N 0.58 0.90 -0.69 1.72 0.02 -1.00 -1.42 113.55 113.65 2wvx h SER 489 Ca 0.39 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2wvx h SER 489 Cb 0.48 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2wvx h SER 489 CO -0.31 1.02 0.33 0.25 -1.14 0.00 0.00 176.83 176.98 2wvx h LEU 490 N 0.81 0.91 0.00 5.07 5.85 -0.86 -1.42 115.31 125.67 2wvx h LEU 490 Ca 0.13 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2wvx h LEU 490 Cb 0.64 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2wvx h LEU 490 CO 0.04 0.79 -0.77 -0.26 -0.34 0.00 0.00 178.44 177.91 2wvx h PHE 491 N 0.97 0.00 -0.16 1.25 0.04 -1.39 0.08 116.94 117.73 2wvx h PHE 491 Ca 0.24 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.96 2wvx h PHE 491 Cb 0.12 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2wvx h PHE 491 CO 0.01 0.72 -0.11 0.00 -0.60 0.00 0.00 178.31 178.33 2wvx h ALA 492 N 1.28 1.53 0.16 2.45 0.00 -1.05 0.30 119.26 123.93 2wvx h ALA 492 Ca -0.02 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2wvx h ALA 492 Cb 1.57 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.30 2wvx h ALA 492 CO 0.09 0.34 -0.96 -0.22 0.00 0.00 0.00 179.25 178.50 2wvx h LYS 493 N 0.23 0.36 -0.09 0.00 3.64 -0.90 -3.24 116.57 116.57 2wvx h LYS 493 Ca 0.05 -0.60 -0.08 0.00 -1.27 0.00 0.00 60.65 58.74 2wvx h LYS 493 Cb 0.34 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2wvx h LYS 493 CO 0.02 1.29 -0.32 0.00 -2.27 0.00 0.00 179.45 178.16 2wvx h ARG 494 N -0.25 0.17 -1.96 1.90 3.08 -0.73 -3.32 114.38 113.28 2wvx h ARG 494 Ca -0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2wvx h ARG 494 Cb 1.75 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.79 2wvx h ARG 494 CO 0.18 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.56 2wvx n ALA 495 N -2.48 0.94 0.00 0.04 0.00 0.07 -4.57 120.51 114.51 2wvx n ALA 495 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wvx n ALA 495 Cb 0.40 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.53 0.00 0.16 0.00 3.02 -1.25 -4.72 115.26 114.01 2wvx n ASN 497 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 2wvx n ASN 497 Cb 0.00 -0.17 0.74 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.84 -1.15 116.97 117.08 2wvx h TYR 498 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 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 -0.08 0.87 -0.00 0.00 0.00 178.16 178.95 2wvx h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.93 -2.59 116.57 113.72 2wvx h LYS 499 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2wvx h LYS 499 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2wvx h LYS 499 CO -0.00 0.08 0.00 -0.91 -0.57 0.00 0.00 179.45 178.05 2wvx h ASN 500 N 0.00 0.00 -0.29 0.86 2.35 -1.49 -2.63 115.58 114.38 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 0.01 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 2wvx n LEU 501 N -2.51 2.77 -4.67 1.61 4.77 -0.98 -4.97 117.00 113.02 2wvx n LEU 501 Ca 0.01 -2.00 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 2wvx n LEU 501 Cb 0.22 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2wvx n LEU 501 CO 0.21 0.69 0.81 0.12 -1.33 0.00 0.00 177.39 177.88 2wvx s PHE 502 N -1.01 3.41 -0.43 -1.77 5.36 -0.99 -1.17 117.98 121.38 2wvx s PHE 502 Ca 0.19 1.45 -0.14 0.00 -0.96 0.00 0.00 56.93 57.48 2wvx s PHE 502 Cb 0.10 -3.18 0.05 0.00 -0.34 0.00 0.00 43.02 39.64 2wvx s PHE 502 CO 0.13 -0.35 0.31 0.34 -1.46 0.00 0.00 175.22 174.20 2wvx s ASP 503 N 1.17 6.00 0.45 6.13 2.15 -0.26 -4.97 116.67 127.34 2wvx s ASP 503 Ca 0.44 -1.15 0.11 0.00 0.43 0.00 0.00 52.55 52.38 2wvx s ASP 503 Cb -0.16 -2.12 1.01 0.00 -0.30 0.00 0.00 42.92 41.35 2wvx s ASP 503 CO 0.11 -0.52 2.08 0.11 -0.17 0.00 0.00 175.17 176.77 2wvx h LYS 504 N 8.62 0.28 0.01 4.34 1.57 -1.94 0.38 116.57 129.82 2wvx h LYS 504 Ca -0.27 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2wvx h LYS 504 Cb 1.11 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2wvx h LYS 504 CO 0.78 0.22 -0.08 0.93 -0.57 0.00 0.00 179.45 180.72 2wvx h GLU 505 N 0.28 -0.14 0.00 3.15 5.08 -1.95 -3.28 114.58 117.72 2wvx h GLU 505 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2wvx h GLU 505 Cb 0.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wvx h GLU 505 CO -0.01 -0.10 -1.28 -1.13 -1.00 0.00 0.00 179.01 175.49 2wvx n SER 506 N -5.20 0.53 -1.85 1.42 3.41 -0.97 -4.96 113.62 105.99 2wvx n SER 506 Ca -0.06 -0.20 -0.17 0.00 -0.26 0.00 0.00 58.87 58.18 2wvx n SER 506 Cb 0.13 1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 65.17 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 -2.06 -1.34 0.00 4.33 5.02 0.13 -5.06 118.16 119.19 2wvx n LYS 507 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2wvx n LYS 507 Cb 0.47 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 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 -2.37 0.00 0.00 -0.35 4.77 -1.17 -4.94 117.00 112.94 2wvx n LEU 508 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2wvx n LEU 508 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2wvx n LEU 508 CO 0.24 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.16 2wvx n ARG 510 N 0.00 0.00 -1.72 3.23 0.63 -0.32 -1.10 116.66 117.38 2wvx n ARG 510 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 2wvx n ARG 510 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 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 -0.87 0.68 2.91 5.14 0.00 -1.26 -4.76 105.19 107.03 2wvx n GLY 511 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.50 1.20 0.85 1.61 3.52 -1.26 -0.84 118.95 121.52 2wvx s ARG 512 Ca 0.65 -0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.95 2wvx s ARG 512 Cb -0.46 -1.20 0.10 0.00 -1.56 0.00 0.00 34.95 31.83 2wvx s ARG 512 CO 0.55 -0.14 1.09 -0.80 -0.81 0.00 0.00 175.30 175.19 2wvx s ASN 513 N 1.22 3.84 0.44 -2.12 0.01 0.91 -0.37 114.94 118.87 2wvx s ASN 513 Ca -0.05 1.68 0.12 0.00 -0.71 0.00 0.00 52.86 53.90 2wvx s ASN 513 Cb -0.14 -2.36 1.01 0.00 0.41 0.00 0.00 41.25 40.18 2wvx s ASN 513 CO -0.02 -2.43 2.03 -0.08 -1.51 0.00 0.00 177.10 175.08 2wvx h GLU 514 N -1.41 0.39 0.00 -0.60 4.81 -1.90 -1.52 114.58 114.34 2wvx h GLU 514 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2wvx h GLU 514 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2wvx h GLU 514 CO 0.52 0.26 0.00 -0.40 -0.73 0.00 0.00 179.01 178.66 2wvx n ASP 515 N -4.48 0.00 0.00 1.04 5.68 -1.26 -4.88 116.55 112.66 2wvx n ASP 515 Ca 0.06 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2wvx n ASP 515 Cb 0.24 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2wvx n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wvx n GLY 516 N 0.82 1.58 3.77 6.12 0.00 -0.57 -5.09 105.19 111.82 2wvx n GLY 516 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.24 3.76 0.33 2.61 -4.23 -1.26 -4.76 115.64 109.86 2wvx s THR 517 Ca 0.00 1.52 -0.28 0.00 -1.18 0.00 0.00 61.69 61.75 2wvx s THR 517 Cb 0.00 -3.87 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 2wvx s THR 517 CO 0.00 0.17 1.14 -0.36 -0.54 0.00 0.00 174.62 175.03 2wvx s PHE 518 N -1.46 3.35 0.34 3.99 0.08 -1.26 -0.06 117.98 122.96 2wvx s PHE 518 Ca 0.51 1.62 -0.28 0.00 0.12 0.00 0.00 56.93 58.90 2wvx s PHE 518 Cb -0.25 -3.34 -0.10 0.00 -0.57 0.00 0.00 43.02 38.76 2wvx s PHE 518 CO 0.31 -0.91 1.34 1.14 -0.10 0.00 0.00 175.22 177.00 2wvx s GLN 519 N -1.82 4.29 0.03 0.44 1.03 -0.02 -4.79 119.66 118.82 2wvx s GLN 519 Ca 0.50 2.28 0.03 0.00 0.04 0.00 0.00 55.36 58.20 2wvx s GLN 519 Cb -0.31 -3.03 -0.02 0.00 0.03 0.00 0.00 33.01 29.67 2wvx s GLN 519 CO 0.40 -0.27 -0.10 -1.12 -2.54 0.00 0.00 175.29 171.67 2wvx s SER 520 N -0.44 1.16 0.51 12.60 0.01 -1.26 -3.97 113.70 122.30 2wvx s SER 520 Ca 0.50 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 57.18 2wvx s SER 520 Cb -0.41 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 65.69 2wvx s SER 520 CO 0.55 -0.01 1.11 -2.16 0.41 0.00 0.00 173.24 173.13 2wvx s PRO 521 N -0.94 3.58 -0.22 12.44 0.04 -1.26 -5.14 135.00 143.51 2wvx s PRO 521 Ca -0.01 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 2wvx s PRO 521 Cb -0.07 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2wvx s PRO 521 CO 0.01 -0.65 0.25 0.12 0.04 0.00 0.00 177.00 176.76 2wvx s PHE 522 N -1.78 3.35 -0.34 0.56 5.36 -1.25 -5.05 117.98 118.83 2wvx s PHE 522 Ca 0.69 0.40 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 2wvx s PHE 522 Cb -0.23 -2.36 0.10 0.00 -0.34 0.00 0.00 43.02 40.20 2wvx s PHE 522 CO 0.26 0.07 0.08 0.45 -1.46 0.00 0.00 175.22 174.62 2wvx s SER 523 N 0.95 4.45 0.57 6.13 0.15 -1.26 -4.97 113.70 119.72 2wvx s SER 523 Ca 0.12 -2.01 0.33 0.00 0.70 0.00 0.00 55.95 55.10 2wvx s SER 523 Cb -0.14 -1.33 1.71 0.00 -1.71 0.00 0.00 66.02 64.55 2wvx s SER 523 CO 0.05 -0.39 2.14 1.55 1.20 0.00 0.00 173.24 177.80 2wvx h PRO 524 N 7.73 0.00 -0.18 5.44 0.13 -2.01 -1.48 132.00 141.63 2wvx h PRO 524 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2wvx h PRO 524 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2wvx h PRO 524 CO 0.51 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 2wvx n LEU 525 N -3.38 2.02 -4.67 1.56 4.77 -1.26 -2.42 117.00 113.62 2wvx n LEU 525 Ca -0.02 -0.82 -0.43 0.00 -0.03 0.00 0.00 56.01 54.71 2wvx n LEU 525 Cb 0.20 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2wvx n LEU 525 CO 0.27 0.41 1.00 -0.75 -1.33 0.00 0.00 177.39 176.99 2wvx s LYS 526 N -1.77 4.30 0.32 3.23 2.20 -0.56 -1.40 119.74 126.06 2wvx s LYS 526 Ca 0.34 1.64 -0.24 0.00 -0.36 0.00 0.00 55.97 57.35 2wvx s LYS 526 Cb 0.19 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 2wvx s LYS 526 CO 0.28 -0.56 0.90 -1.58 -0.36 0.00 0.00 175.35 174.02 2wvx s TRP 527 N 2.80 3.61 0.00 4.03 0.52 -0.84 -4.27 118.94 124.79 2wvx s TRP 527 Ca 0.55 1.66 0.00 0.00 0.02 0.00 0.00 56.10 58.33 2wvx s TRP 527 Cb -0.23 -2.84 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 2wvx s TRP 527 CO 0.18 0.18 0.00 0.41 0.02 0.00 0.00 176.95 177.73 2wvx n GLY 528 N 0.35 -0.51 7.00 0.98 0.00 -0.53 -4.55 105.19 107.92 2wvx n GLY 528 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.61 0.00 0.24 1.61 2.03 -1.26 -2.16 116.55 116.40 2wvx n ASP 529 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 2wvx n ASP 529 Cb 0.00 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.65 1.31 -0.98 -1.67 0.00 -1.92 0.30 119.26 115.64 2wvx h ALA 530 Ca 0.00 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 54.13 2wvx h ALA 530 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 2wvx h ALA 530 CO 0.00 0.23 -0.46 -0.06 0.00 0.00 0.00 179.25 178.96 2wvx s PHE 531 N -4.17 2.14 0.02 0.00 0.08 -0.92 -0.13 117.98 115.00 2wvx s PHE 531 Ca -0.02 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.28 2wvx s PHE 531 Cb 0.13 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 2wvx s PHE 531 CO 0.63 0.05 -0.06 -0.08 -0.10 0.00 0.00 175.22 175.66 2wvx s THR 532 N -2.73 0.47 -1.29 0.64 -1.32 -1.26 -4.05 115.64 106.09 2wvx s THR 532 Ca 0.29 -0.59 -0.03 0.00 -1.21 0.00 0.00 61.69 60.15 2wvx s THR 532 Cb 0.02 -0.46 -0.00 0.00 -1.51 0.00 0.00 72.50 70.54 2wvx s THR 532 CO 0.16 -0.09 0.67 1.21 -2.21 0.00 0.00 174.62 174.36 2wvx n GLU 533 N 2.32 -4.11 -0.41 7.08 2.13 -1.26 -4.83 120.64 121.57 2wvx n GLU 533 Ca -0.17 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2wvx n GLU 533 Cb 0.57 -4.98 0.00 0.00 0.27 0.00 0.00 31.44 27.30 2wvx n GLU 533 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wvx n GLY 534 N -1.64 0.72 1.50 8.31 0.00 -1.26 -4.76 105.19 108.05 2wvx n GLY 534 Ca -0.27 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 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 2.46 -0.21 1.61 0.23 -1.26 -1.46 115.26 119.63 2wvx n ASN 535 Ca 0.00 -1.92 0.01 0.00 -0.53 0.00 0.00 54.58 52.14 2wvx n ASN 535 Cb 0.00 0.17 0.26 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.52 0.84 0.30 0.53 0.87 -1.66 -0.82 113.55 114.14 2wvx h SER 536 Ca -0.17 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2wvx h SER 536 Cb 0.53 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2wvx h SER 536 CO 0.28 0.60 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.68 2wvx h TRP 537 N 0.99 0.00 0.08 2.24 4.06 -1.95 -0.23 115.95 121.14 2wvx h TRP 537 Ca 0.27 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.90 2wvx h TRP 537 Cb -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 2wvx h TRP 537 CO -0.00 0.01 -1.77 0.72 -3.56 0.00 0.00 178.44 173.84 2wvx n HIS 538 N -3.16 1.16 0.42 0.49 8.25 -0.41 -4.49 115.22 117.48 2wvx n HIS 538 Ca -0.02 0.32 0.12 0.00 -0.26 0.00 0.00 57.72 57.88 2wvx n HIS 538 Cb 0.15 -1.14 0.22 0.00 1.12 0.00 0.00 29.99 30.34 2wvx n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2wvx h TYR 539 N -0.29 0.00 0.00 4.41 -1.99 -1.11 -3.36 116.97 114.63 2wvx h TYR 539 Ca -0.41 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.32 2wvx h TYR 539 Cb 1.79 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.52 2wvx h TYR 539 CO 0.08 0.00 -0.04 1.15 -0.00 0.00 0.00 178.16 179.35 2wvx h THR 540 N 0.00 0.90 -0.05 -2.88 2.02 -1.26 -1.97 112.91 109.67 2wvx h THR 540 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2wvx h THR 540 Cb 0.85 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2wvx h THR 540 CO 0.00 0.04 0.00 0.79 0.37 0.00 0.00 175.52 176.72 2wvx n TRP 541 N -4.31 0.06 -1.64 3.16 7.02 -1.26 -4.55 117.44 115.92 2wvx n TRP 541 Ca -0.03 -0.03 -0.40 0.00 -1.02 0.00 0.00 57.50 56.02 2wvx n TRP 541 Cb 0.12 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.00 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 -0.41 7.90 -3.14 -0.99 7.64 -0.74 -4.43 113.62 119.45 2wvx n SER 542 Ca 0.04 -2.82 -0.21 0.00 1.01 0.00 0.00 58.87 56.88 2wvx n SER 542 Cb 0.05 -1.50 -0.04 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 3.05 0.71 -0.32 0.44 0.31 -1.26 -4.73 118.33 116.53 2wvx n VAL 543 Ca 0.69 -4.80 0.02 0.00 -0.01 0.00 0.00 64.34 60.24 2wvx n VAL 543 Cb 0.26 -0.86 0.16 0.00 -0.91 0.00 0.00 33.84 32.49 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 3.19 1.00 0.00 3.52 -1.00 -1.88 -1.72 116.94 120.04 2wvx h PHE 544 Ca 0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2wvx h PHE 544 Cb 0.83 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.07 2wvx h PHE 544 CO 0.56 0.47 0.00 1.12 -1.61 0.00 0.00 178.31 178.85 2wvx h HIS 545 N 0.95 0.00 -1.37 -0.55 2.07 -1.91 -3.41 115.15 110.93 2wvx h HIS 545 Ca 0.40 0.00 -0.40 0.00 -2.85 0.00 0.00 60.37 57.52 2wvx h HIS 545 Cb 0.26 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 29.89 2wvx h HIS 545 CO -0.03 0.00 -1.04 -3.47 -3.07 0.00 0.00 177.93 170.31 2wvx n ASP 546 N -2.56 0.37 -0.13 3.10 2.03 -0.66 -0.76 116.55 117.95 2wvx n ASP 546 Ca 0.03 -3.01 0.03 0.00 0.52 0.00 0.00 54.79 52.36 2wvx n ASP 546 Cb 0.37 -0.14 0.33 0.00 -0.72 0.00 0.00 41.12 40.96 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 2.94 0.77 -0.75 -0.67 0.11 -1.76 0.14 132.00 132.79 2wvx h PRO 547 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2wvx h PRO 547 Cb 1.06 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 2wvx h PRO 547 CO 0.42 0.51 0.38 0.37 -0.21 0.00 0.00 178.00 179.47 2wvx h GLN 548 N 0.80 1.05 -0.65 1.05 5.75 -1.91 0.75 115.11 121.94 2wvx h GLN 548 Ca 0.23 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2wvx h GLN 548 Cb -0.04 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 2wvx h GLN 548 CO -0.05 0.79 0.40 0.78 -2.65 0.00 0.00 178.83 178.10 2wvx h GLY 549 N 1.10 0.94 1.08 2.39 0.00 -1.39 0.80 103.07 107.97 2wvx h GLY 549 Ca 0.26 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2wvx h GLY 549 CO -0.04 0.37 0.14 -2.00 0.00 0.00 0.00 176.54 175.01 2wvx h LEU 550 N 0.88 1.08 -0.51 3.11 5.85 -0.94 -1.80 115.31 122.97 2wvx h LEU 550 Ca 0.23 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wvx h LEU 550 Cb -0.04 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2wvx h LEU 550 CO -0.05 1.05 0.31 0.40 -0.34 0.00 0.00 178.44 179.81 2wvx h ILE 551 N 1.07 1.16 -0.38 4.05 2.04 -0.46 -2.71 117.51 122.28 2wvx h ILE 551 Ca 0.22 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2wvx h ILE 551 Cb 0.41 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2wvx h ILE 551 CO 0.01 0.16 0.18 0.44 0.00 0.00 0.00 178.15 178.94 2wvx h ASP 552 N 0.69 0.50 0.00 1.72 3.32 -0.71 -0.15 116.42 121.79 2wvx h ASP 552 Ca 0.18 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wvx h ASP 552 Cb -0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wvx h ASP 552 CO -0.03 0.49 0.00 0.18 -1.72 0.00 0.00 179.24 178.16 2wvx n LEU 553 N -4.70 0.00 -1.24 1.55 4.77 -0.69 -3.99 117.00 112.69 2wvx n LEU 553 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2wvx n LEU 553 Cb 0.11 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2wvx n LEU 553 CO 0.36 0.00 0.13 0.61 -1.33 0.00 0.00 177.39 177.16 2wvx n GLY 555 N 1.13 0.86 0.00 -0.72 0.00 -1.05 -5.00 105.19 100.40 2wvx n GLY 555 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.34 1.99 0.24 -0.02 0.00 -0.09 -4.82 105.19 102.84 2wvx n GLY 556 Ca 0.01 -2.02 0.02 0.00 0.00 0.00 0.00 46.02 44.03 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 0.26 -0.60 1.61 2.10 -1.93 -1.62 116.57 116.40 2wvx h LYS 557 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2wvx h LYS 557 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2wvx h LYS 557 CO 0.00 0.38 0.00 0.39 -2.00 0.00 0.00 179.45 178.22 2wvx n GLU 558 N -4.29 0.33 0.00 0.07 4.71 -1.26 -1.47 120.64 118.73 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 0.26 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 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 0.44 0.00 -0.11 -0.32 -0.00 -0.61 -1.28 117.46 115.58 2wvx n PHE 560 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.39 2wvx n PHE 560 Cb 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 39.70 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 1.26 0.00 -2.13 2.07 -1.52 -3.42 116.25 112.50 2wvx h VAL 561 Ca 0.00 -1.14 -0.26 0.00 0.82 0.00 0.00 66.70 66.13 2wvx h VAL 561 Cb 0.00 0.99 0.07 0.00 -1.52 0.00 0.00 31.29 30.83 2wvx h VAL 561 CO 0.00 0.39 1.07 0.41 0.02 0.00 0.00 177.57 179.47 2wvx n THR 562 N -4.17 0.00 0.00 2.57 -1.04 -0.41 -4.52 114.28 106.71 2wvx n THR 562 Ca 0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2wvx n THR 562 Cb 0.35 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 6.52 0.00 0.20 8.00 8.00 -1.26 -4.75 116.55 133.26 2wvx n ASP 565 Ca 0.21 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.76 2wvx n ASP 565 Cb 0.20 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.63 -2.24 4.64 -1.95 -2.36 113.55 111.01 2wvx h SER 566 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2wvx h SER 566 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2wvx h SER 566 CO 0.00 0.32 0.30 0.58 -0.87 0.00 0.00 176.83 177.16 2wvx h VAL 567 N 0.00 0.87 0.00 0.95 2.07 -1.95 -2.27 116.25 115.92 2wvx h VAL 567 Ca -0.00 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 2wvx h VAL 567 Cb 0.65 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2wvx h VAL 567 CO 0.04 0.10 -0.37 -0.26 0.02 0.00 0.00 177.57 177.10 2wvx h PHE 568 N 0.54 0.00 0.00 1.57 0.04 -1.82 0.90 116.94 118.16 2wvx h PHE 568 Ca 0.30 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.94 2wvx h PHE 568 Cb 0.29 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2wvx h PHE 568 CO -0.12 0.37 -1.45 0.00 -0.60 0.00 0.00 178.31 176.52 2wvx n ALA 569 N -2.21 2.09 -2.01 2.45 0.00 -0.93 -3.62 120.51 116.28 2wvx n ALA 569 Ca 0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 2wvx n ALA 569 Cb 0.64 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 2wvx n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wvx s VAL 570 N -3.03 4.73 0.72 0.00 -7.23 -0.90 -4.97 120.40 109.72 2wvx s VAL 570 Ca -0.03 0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 60.76 2wvx s VAL 570 Cb 0.09 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.25 2wvx s VAL 570 CO 0.82 -0.87 1.10 -2.16 -0.31 0.00 0.00 175.10 173.68 2wvx s PRO 571 N -4.60 2.49 -0.35 4.82 0.04 -1.26 -3.72 135.00 132.42 2wvx s PRO 571 Ca 0.53 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 2wvx s PRO 571 Cb -0.10 -1.92 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 2wvx s PRO 571 CO 0.43 -1.48 2.96 -0.35 0.04 0.00 0.00 177.00 178.60 2wvx n PRO 572 N -2.99 2.01 -2.42 0.56 -0.04 -1.26 -4.45 135.00 126.41 2wvx n PRO 572 Ca 0.10 -1.10 -0.36 0.00 -0.04 0.00 0.00 63.50 62.10 2wvx n PRO 572 Cb 0.52 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 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 1.69 3.47 0.07 0.52 -4.36 -1.26 -4.81 121.20 116.52 2wvx s ILE 573 Ca 0.56 1.06 -0.08 0.00 -0.26 0.00 0.00 60.65 61.93 2wvx s ILE 573 Cb 0.23 -3.52 -0.00 0.00 1.25 0.00 0.00 42.46 40.42 2wvx s ILE 573 CO -0.01 -0.05 0.16 0.72 0.24 0.00 0.00 174.94 176.00 2wvx s PHE 574 N -1.68 0.16 -0.30 1.37 -0.12 -1.26 -4.96 117.98 111.18 2wvx s PHE 574 Ca 0.63 -0.52 -0.02 0.00 -0.05 0.00 0.00 56.93 56.96 2wvx s PHE 574 Cb -0.24 -0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.12 2wvx s PHE 574 CO 0.29 -0.48 0.01 0.34 -0.05 0.00 0.00 175.22 175.32 2wvx s ASP 575 N -2.55 4.90 -0.07 1.98 -1.08 -0.49 -4.98 116.67 114.37 2wvx s ASP 575 Ca 0.01 -1.23 0.18 0.00 -0.52 0.00 0.00 52.55 50.99 2wvx s ASP 575 Cb 0.03 -1.72 0.64 0.00 -1.46 0.00 0.00 42.92 40.40 2wvx s ASP 575 CO -0.08 -0.26 1.54 -0.90 0.52 0.00 0.00 175.17 175.99 2wvx n ASP 576 N 4.64 4.13 -0.37 -0.34 5.75 -1.26 -1.99 116.55 127.12 2wvx n ASP 576 Ca -0.13 -2.27 0.30 0.00 -0.01 0.00 0.00 54.79 52.68 2wvx n ASP 576 Cb 0.44 -0.52 0.57 0.00 -1.03 0.00 0.00 41.12 40.57 2wvx n ASP 576 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2wvx h SER 577 N 3.82 0.37 0.36 -1.12 0.02 -1.91 0.22 113.55 115.31 2wvx h SER 577 Ca 0.00 0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2wvx h SER 577 Cb 1.20 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2wvx h SER 577 CO 0.14 -0.22 -0.29 0.22 -1.14 0.00 0.00 176.83 175.54 2wvx h TYR 578 N 0.16 0.00 0.00 3.45 3.20 -1.82 -2.82 116.97 119.14 2wvx h TYR 578 Ca 0.79 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.65 2wvx h TYR 578 Cb 2.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.39 2wvx h TYR 578 CO -0.01 0.29 -1.83 0.66 -1.64 0.00 0.00 178.16 175.64 2wvx n TYR 579 N -4.04 0.00 -1.20 -3.82 4.01 0.52 -5.00 117.16 107.63 2wvx n TYR 579 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 2wvx n TYR 579 Cb 0.35 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 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 1.51 0.77 3.65 2.72 0.00 0.30 -4.94 105.19 109.20 2wvx n GLY 580 Ca -0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.34 1.15 -0.83 1.61 -2.07 -1.25 -5.01 119.66 110.92 2wvx s GLN 581 Ca 0.00 -0.56 -0.21 0.00 -1.82 0.00 0.00 55.36 52.76 2wvx s GLN 581 Cb 0.00 0.44 0.09 0.00 -1.09 0.00 0.00 33.01 32.45 2wvx s GLN 581 CO 0.00 -0.52 1.11 0.08 -1.32 0.00 0.00 175.29 174.64 2wvx s VAL 582 N -3.35 4.42 0.89 3.63 1.01 -1.26 -4.86 120.40 120.88 2wvx s VAL 582 Ca 0.09 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2wvx s VAL 582 Cb -0.02 -4.78 0.12 0.00 0.00 0.00 0.00 36.38 31.70 2wvx s VAL 582 CO -0.02 -1.56 1.10 0.27 0.00 0.00 0.00 175.10 174.89 2wvx s ILE 583 N 3.65 2.69 0.39 2.22 -4.36 -1.26 -4.74 121.20 119.79 2wvx s ILE 583 Ca 0.30 0.22 0.11 0.00 -0.26 0.00 0.00 60.65 61.02 2wvx s ILE 583 Cb -0.09 -2.58 0.15 0.00 1.25 0.00 0.00 42.46 41.19 2wvx s ILE 583 CO -0.01 -0.29 1.90 1.12 0.24 0.00 0.00 174.94 177.90 2wvx h HIS 584 N -1.58 0.17 -0.43 1.37 2.07 -1.80 -1.57 115.15 113.36 2wvx h HIS 584 Ca -0.47 -0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 56.98 2wvx h HIS 584 Cb 1.27 -0.05 -0.02 0.00 2.57 0.00 0.00 27.41 31.18 2wvx h HIS 584 CO 0.47 0.35 0.07 0.93 -3.07 0.00 0.00 177.93 176.68 2wvx h GLU 585 N 0.15 0.65 -0.16 5.12 3.07 -1.90 0.14 114.58 121.65 2wvx h GLU 585 Ca 0.03 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 2wvx h GLU 585 Cb 0.43 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2wvx h GLU 585 CO 0.03 0.62 -0.07 0.82 -1.40 0.00 0.00 179.01 179.01 2wvx h ILE 586 N 0.63 1.31 -0.41 3.13 2.04 -1.65 -3.18 117.51 119.38 2wvx h ILE 586 Ca 0.14 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 64.94 2wvx h ILE 586 Cb 0.29 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2wvx h ILE 586 CO 0.00 0.32 0.20 -0.09 0.00 0.00 0.00 178.15 178.58 2wvx h ARG 587 N -0.00 0.39 -1.50 2.37 9.65 -0.87 -1.50 114.38 122.91 2wvx h ARG 587 Ca 0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2wvx h ARG 587 Cb 0.53 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 2wvx h ARG 587 CO 0.02 0.26 0.00 0.39 2.80 0.00 0.00 179.97 183.44 2wvx n GLU 588 N -4.93 0.00 0.00 0.20 1.02 0.42 -2.39 120.64 114.96 2wvx n GLU 588 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2wvx n GLU 588 Cb 0.11 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.82 0.00 -1.33 2.62 -2.24 -0.57 -4.95 114.28 108.63 2wvx n THR 590 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2wvx n THR 590 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 3.58 0.00 2.28 0.24 -1.01 -4.94 118.33 118.48 2wvx n VAL 591 Ca 0.00 -2.50 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 2wvx n VAL 591 Cb 0.00 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 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 2.02 0.00 0.00 -1.34 4.05 -1.26 -5.26 115.26 113.47 2wvx n ASN 593 Ca 0.52 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.55 2wvx n ASN 593 Cb 0.62 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.63 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 3.27 0.28 8.20 0.00 -1.24 -5.12 105.19 110.59 2wvx n GLY 595 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.75 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 0.83 -4.55 1.61 3.02 0.31 -4.05 115.26 112.44 2wvx n ASN 596 Ca 0.00 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.38 2wvx n ASN 596 Cb 0.00 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.85 2.30 -0.72 3.10 5.04 -1.24 -4.91 117.35 119.08 2wvx s TYR 597 Ca 0.21 -0.09 -0.10 0.00 -2.44 0.00 0.00 57.07 54.65 2wvx s TYR 597 Cb 0.11 -4.62 0.19 0.00 0.35 0.00 0.00 41.96 37.99 2wvx s TYR 597 CO 0.16 -2.06 0.62 0.00 -1.34 0.00 0.00 175.55 172.93 2wvx s ALA 598 N 5.65 3.85 0.58 3.97 0.00 -1.26 -4.94 121.76 129.62 2wvx s ALA 598 Ca 0.35 -3.21 0.28 0.00 0.00 0.00 0.00 51.96 49.37 2wvx s ALA 598 Cb -0.08 -3.18 1.60 0.00 0.00 0.00 0.00 23.12 21.46 2wvx s ALA 598 CO 0.14 -2.18 2.08 1.25 0.00 0.00 0.00 175.76 177.05 2wvx h HIS 599 N 7.63 0.00 0.00 0.00 2.76 -1.95 -0.29 115.15 123.29 2wvx h HIS 599 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2wvx h HIS 599 Cb 1.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2wvx h HIS 599 CO 0.89 0.00 0.00 0.78 -1.30 0.00 0.00 177.93 178.30 2wvx h GLY 600 N 0.00 0.00 -6.30 5.26 0.00 -1.92 -3.43 103.07 96.69 2wvx h GLY 600 Ca 0.11 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.87 2wvx h GLY 600 CO -0.00 0.00 1.03 -1.31 0.00 0.00 0.00 176.54 176.26 2wvx s ASN 601 N -5.41 6.49 0.30 0.19 0.02 -0.12 -4.85 114.94 111.56 2wvx s ASN 601 Ca 0.06 1.11 0.06 0.00 -1.02 0.00 0.00 52.86 53.06 2wvx s ASN 601 Cb 0.08 -2.54 0.73 0.00 0.02 0.00 0.00 41.25 39.54 2wvx s ASN 601 CO 0.58 -1.25 1.78 1.56 0.02 0.00 0.00 177.10 179.79 2wvx h GLN 602 N 10.07 0.75 0.00 -0.60 7.50 -1.86 -1.42 115.11 129.55 2wvx h GLN 602 Ca -0.28 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 58.82 2wvx h GLN 602 Cb 1.11 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 28.47 2wvx h GLN 602 CO 1.05 0.50 -0.03 -1.35 -1.50 0.00 0.00 178.83 177.50 2wvx h PRO 603 N 0.78 0.00 -0.02 1.46 0.11 -1.90 -2.50 132.00 129.92 2wvx h PRO 603 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2wvx h PRO 603 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2wvx h PRO 603 CO -0.38 0.03 -0.15 1.51 -0.21 0.00 0.00 178.00 178.80 2wvx n ILE 604 N -3.30 0.00 0.26 4.15 3.06 -0.54 -4.53 119.36 118.47 2wvx n ILE 604 Ca -0.02 -0.35 0.15 0.00 -2.50 0.00 0.00 62.75 60.03 2wvx n ILE 604 Cb 0.15 1.11 0.63 0.00 0.54 0.00 0.00 39.64 42.08 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 3.26 0.00 -3.20 9.51 4.20 -1.50 -3.40 115.11 123.99 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 0.78 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.46 2wvx h GLN 605 CO 0.00 0.07 2.52 -2.39 -0.67 0.00 0.00 178.83 178.36 2wvx n HIS 606 N -3.21 2.82 0.00 2.96 1.44 -1.26 -4.86 115.22 113.11 2wvx n HIS 606 Ca 0.00 -2.86 0.00 0.00 -2.01 0.00 0.00 57.72 52.85 2wvx n HIS 606 Cb 0.33 -2.05 0.00 0.00 0.12 0.00 0.00 29.99 28.39 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 3.04 0.00 0.32 0.61 5.41 -1.26 -3.57 119.36 123.91 2wvx n ILE 608 Ca 0.54 0.00 0.20 0.00 1.00 0.00 0.00 62.75 64.49 2wvx n ILE 608 Cb 0.31 0.00 1.09 0.00 -0.71 0.00 0.00 39.64 40.33 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 -2.22 116.97 112.23 2wvx h TYR 609 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 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 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.03 2wvx h LEU 610 N 0.00 0.00 -1.56 3.88 3.38 -2.00 -1.98 115.31 117.03 2wvx h LEU 610 Ca 0.01 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.16 2wvx h LEU 610 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2wvx h LEU 610 CO -0.00 0.06 0.55 1.88 0.09 0.00 0.00 178.44 181.02 2wvx h TYR 611 N 0.00 0.49 -0.90 1.13 0.05 -1.71 -0.20 116.97 115.83 2wvx h TYR 611 Ca -0.00 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.88 2wvx h TYR 611 Cb 0.52 -0.15 -0.07 0.00 1.01 0.00 0.00 36.73 38.03 2wvx h TYR 611 CO 0.00 0.16 0.55 -0.44 -1.05 0.00 0.00 178.16 177.38 2wvx h ASP 612 N 0.40 0.82 0.92 3.88 5.19 -1.57 -0.84 116.42 125.21 2wvx h ASP 612 Ca 0.42 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 2wvx h ASP 612 Cb 1.03 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.41 2wvx h ASP 612 CO -0.14 0.48 0.00 -1.22 -3.12 0.00 0.00 179.24 175.24 2wvx n TYR 613 N -4.65 0.72 -0.38 4.55 4.02 -0.10 -2.47 117.16 118.85 2wvx n TYR 613 Ca 0.15 0.26 0.08 0.00 -0.01 0.00 0.00 57.90 58.38 2wvx n TYR 613 Cb 0.26 -0.92 0.25 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 -1.74 2.45 -1.45 -0.72 0.00 -0.80 -4.92 120.51 113.34 2wvx n ALA 614 Ca 0.03 -1.36 -0.02 0.00 0.00 0.00 0.00 53.44 52.09 2wvx n ALA 614 Cb 0.28 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 0.89 0.44 2.42 0.00 0.00 -1.03 -4.89 105.19 103.01 2wvx n GLY 615 Ca 0.19 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.25 1.70 0.23 1.61 6.02 -0.39 -4.61 117.38 119.69 2wvx n GLN 616 Ca -0.02 -3.88 0.13 0.00 -0.01 0.00 0.00 57.00 53.22 2wvx n GLN 616 Cb 0.25 -1.83 0.76 0.00 1.02 0.00 0.00 30.24 30.44 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 3.26 0.00 -0.16 -1.09 0.13 -1.84 -1.38 132.00 130.92 2wvx h PRO 617 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2wvx h PRO 617 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2wvx h PRO 617 CO 0.61 0.00 0.03 0.11 -0.23 0.00 0.00 178.00 178.52 2wvx h TRP 618 N 0.00 0.21 -0.20 1.56 0.09 -1.89 0.02 115.95 115.75 2wvx h TRP 618 Ca 0.04 -0.00 -0.19 0.00 0.09 0.00 0.00 58.89 58.83 2wvx h TRP 618 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.16 29.38 2wvx h TRP 618 CO 0.00 0.21 -0.64 0.87 0.09 0.00 0.00 178.44 178.97 2wvx h LYS 619 N 0.22 0.71 -0.40 0.12 1.57 -1.64 -0.89 116.57 116.27 2wvx h LYS 619 Ca 0.05 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2wvx h LYS 619 Cb 0.11 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2wvx h LYS 619 CO -0.00 1.12 0.23 0.00 -0.57 0.00 0.00 179.45 180.23 2wvx h ALA 620 N 0.75 0.51 -0.57 3.86 0.00 -1.43 -1.54 119.26 120.84 2wvx h ALA 620 Ca -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2wvx h ALA 620 Cb 1.23 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2wvx h ALA 620 CO 0.13 0.01 0.25 1.96 0.00 0.00 0.00 179.25 181.61 2wvx h GLN 621 N 0.51 0.46 0.45 0.00 4.20 -0.82 0.28 115.11 120.20 2wvx h GLN 621 Ca 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2wvx h GLN 621 Cb 0.03 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2wvx h GLN 621 CO -0.02 0.31 -0.21 -0.92 -0.67 0.00 0.00 178.83 177.31 2wvx h TYR 622 N 0.48 -0.56 -0.22 2.96 3.20 -0.91 -2.48 116.97 119.44 2wvx h TYR 622 Ca 0.27 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.96 2wvx h TYR 622 Cb 0.25 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2wvx h TYR 622 CO -0.13 -0.32 -0.53 -1.49 -1.64 0.00 0.00 178.16 174.05 2wvx h TRP 623 N -0.64 0.78 -0.34 -3.82 4.06 -0.99 -2.20 115.95 112.81 2wvx h TRP 623 Ca -0.06 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2wvx h TRP 623 Cb 0.48 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 2wvx h TRP 623 CO -0.04 1.02 0.22 -0.07 -3.56 0.00 0.00 178.44 176.01 2wvx h LEU 624 N 0.49 0.39 -1.17 -4.49 3.38 -0.50 -0.89 115.31 112.52 2wvx h LEU 624 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wvx h LEU 624 Cb 1.08 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2wvx h LEU 624 CO 0.10 0.29 0.26 -0.09 0.09 0.00 0.00 178.44 179.09 2wvx h ARG 625 N 0.45 0.84 -0.36 1.13 9.65 -1.30 -2.67 114.38 122.13 2wvx h ARG 625 Ca 0.12 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2wvx h ARG 625 Cb -0.04 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 2wvx h ARG 625 CO -0.03 0.67 0.23 1.96 2.80 0.00 0.00 179.97 185.60 2wvx h GLN 626 N 0.84 0.45 -0.28 0.20 1.08 -0.82 -0.44 115.11 116.13 2wvx h GLN 626 Ca 0.20 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2wvx h GLN 626 Cb 0.13 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2wvx h GLN 626 CO -0.02 0.30 0.00 0.28 -0.95 0.00 0.00 178.83 178.43 2wvx n VAL 627 N -4.86 0.01 0.00 -0.54 0.31 -0.39 -1.18 118.33 111.68 2wvx n VAL 627 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wvx n VAL 627 Cb 0.04 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.49 0.00 -1.43 4.52 8.00 -0.18 -3.78 116.55 124.16 2wvx n ASP 629 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2wvx n ASP 629 Cb 0.03 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.37 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 2.66 0.00 -1.24 1.74 -0.32 -4.90 116.66 114.59 2wvx n ARG 630 Ca 0.00 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 2wvx n ARG 630 Cb 0.00 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 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 -0.72 0.00 -4.13 -1.55 4.02 -1.25 -5.03 117.16 108.50 2wvx n TYR 632 Ca 0.35 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 58.11 2wvx n TYR 632 Cb 1.17 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.38 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 0.77 -1.95 -0.72 -4.23 -0.41 -5.04 115.64 104.05 2wvx s THR 633 Ca 0.00 -1.47 0.29 0.00 -1.18 0.00 0.00 61.69 59.34 2wvx s THR 633 Cb 0.00 -1.13 0.59 0.00 1.34 0.00 0.00 72.50 73.30 2wvx s THR 633 CO 0.00 -0.53 1.92 -0.81 -0.54 0.00 0.00 174.62 174.66 2wvx n PRO 634 N 0.83 1.02 -1.67 3.99 -0.04 -1.26 -4.19 135.00 133.67 2wvx n PRO 634 Ca -0.18 -0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 62.67 2wvx n PRO 634 Cb 0.57 -1.49 0.17 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.25 0.26 0.55 0.00 -1.26 -4.88 105.19 99.79 2wvx n GLY 635 Ca 0.18 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 0.13 -1.25 1.61 0.11 -1.92 -1.76 132.00 128.92 2wvx h PRO 636 Ca -0.36 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.16 2wvx h PRO 636 Cb 1.00 -0.03 -0.24 0.00 0.11 0.00 0.00 31.00 31.84 2wvx h PRO 636 CO 0.26 0.13 0.75 -0.40 -0.21 0.00 0.00 178.00 178.53 2wvx n ASP 637 N -4.47 7.32 -0.17 -2.05 3.85 -1.26 -0.11 116.55 119.66 2wvx n ASP 637 Ca -0.02 -3.57 -0.07 0.00 -0.71 0.00 0.00 54.79 50.42 2wvx n ASP 637 Cb 0.12 -1.02 0.08 0.00 -1.35 0.00 0.00 41.12 38.95 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 2.28 1.03 -2.30 6.12 0.00 -1.41 -3.46 103.07 105.33 2wvx h GLY 638 Ca 0.51 -0.74 -0.48 0.00 0.00 0.00 0.00 47.33 46.61 2wvx h GLY 638 CO 1.33 0.69 -0.01 -0.19 0.00 0.00 0.00 176.54 178.35 2wvx s TYR 639 N -4.98 3.54 -2.43 5.60 1.51 -0.78 -1.29 117.35 118.51 2wvx s TYR 639 Ca -0.11 0.63 0.28 0.00 -1.01 0.00 0.00 57.07 56.86 2wvx s TYR 639 Cb 0.14 -2.14 1.06 0.00 -0.11 0.00 0.00 41.96 40.91 2wvx s TYR 639 CO 0.84 -0.11 1.75 0.00 -1.11 0.00 0.00 175.55 176.92 2wvx n GLY 641 N 1.18 0.62 3.63 0.00 0.00 -1.25 -4.80 105.19 104.57 2wvx n GLY 641 Ca 0.19 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.20 1.83 0.16 1.61 8.00 -1.26 -2.20 116.55 124.49 2wvx n ASP 642 Ca 0.00 1.17 0.04 0.00 0.71 0.00 0.00 54.79 56.71 2wvx n ASP 642 Cb 0.02 -1.37 0.17 0.00 -0.02 0.00 0.00 41.12 39.93 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 2.14 0.00 -5.89 -1.24 4.22 -1.50 -3.45 114.58 108.86 2wvx h GLU 643 Ca -0.42 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.66 2wvx h GLU 643 Cb 1.32 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.69 2wvx h GLU 643 CO 0.61 0.47 -0.88 -0.25 -2.18 0.00 0.00 179.01 176.77 2wvx n ASP 644 N -3.37 -4.81 -4.23 1.04 8.00 -1.26 -2.32 116.55 109.60 2wvx n ASP 644 Ca 0.01 -0.85 -0.36 0.00 0.71 0.00 0.00 54.79 54.29 2wvx n ASP 644 Cb 0.64 -4.26 -0.03 0.00 -0.02 0.00 0.00 41.12 37.45 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 -2.97 -3.23 0.00 -2.24 4.13 -1.26 -1.68 115.26 108.00 2wvx n ASN 645 Ca -0.14 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.11 2wvx n ASN 645 Cb 0.62 -2.73 0.00 0.00 -1.54 0.00 0.00 39.78 36.13 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 -1.40 2.04 0.14 7.41 0.00 -1.22 -4.68 105.19 107.49 2wvx n GLY 646 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 2.56 -0.24 -0.09 1.61 5.75 -1.33 0.26 115.11 123.62 2wvx h GLN 647 Ca 0.00 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2wvx h GLN 647 Cb 0.00 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2wvx h GLN 647 CO 0.00 0.10 -0.10 1.15 -2.65 0.00 0.00 178.83 177.33 2wvx h THR 648 N -0.62 1.13 -0.04 2.39 2.02 -1.68 -1.26 112.91 114.85 2wvx h THR 648 Ca -0.03 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2wvx h THR 648 Cb 0.45 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2wvx h THR 648 CO 0.04 0.17 -0.13 0.28 0.37 0.00 0.00 175.52 176.25 2wvx h SER 649 N 0.13 0.19 0.39 4.18 0.02 -1.70 -3.22 113.55 113.53 2wvx h SER 649 Ca 0.03 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.33 2wvx h SER 649 Cb 0.27 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2wvx h SER 649 CO 0.02 0.78 -0.12 0.00 -1.14 0.00 0.00 176.83 176.36 2wvx h ALA 650 N 0.41 1.28 -0.72 3.77 0.00 -0.30 -0.91 119.26 122.79 2wvx h ALA 650 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wvx h ALA 650 Cb 0.76 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2wvx h ALA 650 CO 0.03 0.15 0.47 2.35 0.00 0.00 0.00 179.25 182.25 2wvx h TRP 651 N 0.00 0.90 -0.18 0.00 7.01 -1.24 -1.14 115.95 121.29 2wvx h TRP 651 Ca -0.00 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.85 2wvx h TRP 651 Cb 0.35 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2wvx h TRP 651 CO 0.00 0.56 -0.58 -0.92 -2.79 0.00 0.00 178.44 174.71 2wvx h TYR 652 N 0.96 0.73 0.17 2.65 5.03 -1.22 -0.48 116.97 124.81 2wvx h TYR 652 Ca 0.27 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 2wvx h TYR 652 Cb -0.10 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.05 2wvx h TYR 652 CO -0.02 1.02 -0.08 0.28 -1.32 0.00 0.00 178.16 178.03 2wvx h VAL 653 N 0.44 0.86 0.43 1.81 2.07 -0.97 0.31 116.25 121.20 2wvx h VAL 653 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2wvx h VAL 653 Cb 1.14 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2wvx h VAL 653 CO 0.11 0.02 -0.21 -0.26 0.02 0.00 0.00 177.57 177.26 2wvx h PHE 654 N -0.27 -0.53 -0.76 1.57 0.04 -1.21 -2.90 116.94 112.89 2wvx h PHE 654 Ca -0.02 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.79 2wvx h PHE 654 Cb 0.21 0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 2wvx h PHE 654 CO -0.05 -0.30 0.50 0.77 -0.60 0.00 0.00 178.31 178.63 2wvx h SER 655 N -0.64 0.74 0.34 2.17 0.02 -1.03 -0.22 113.55 114.93 2wvx h SER 655 Ca -0.06 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2wvx h SER 655 Cb 0.48 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2wvx h SER 655 CO 0.10 0.49 -0.34 0.00 -1.14 0.00 0.00 176.83 175.94 2wvx h ALA 656 N 1.58 1.45 0.00 3.77 0.00 -0.89 -2.04 119.26 123.13 2wvx h ALA 656 Ca 0.32 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2wvx h ALA 656 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wvx h ALA 656 CO -0.10 0.42 -0.44 -0.07 0.00 0.00 0.00 179.25 179.06 2wvx h LEU 657 N 0.00 0.00 0.00 0.00 3.38 -0.85 0.07 115.31 117.91 2wvx h LEU 657 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wvx h LEU 657 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wvx h LEU 657 CO 0.04 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.62 2wvx n GLY 658 N 0.20 1.18 3.60 0.83 0.00 -0.77 -4.50 105.19 105.73 2wvx n GLY 658 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.10 -0.19 1.61 -0.12 -1.15 0.33 117.98 116.56 2wvx s PHE 659 Ca 0.00 -0.47 -0.16 0.00 -0.05 0.00 0.00 56.93 56.25 2wvx s PHE 659 Cb 0.00 0.34 0.05 0.00 -0.63 0.00 0.00 43.02 42.78 2wvx s PHE 659 CO 0.00 -0.99 0.49 -0.47 -0.05 0.00 0.00 175.22 174.20 2wvx s TYR 660 N -3.95 -0.57 -1.36 3.49 6.14 -0.46 -3.66 117.35 116.98 2wvx s TYR 660 Ca 0.15 1.35 -0.16 0.00 0.64 0.00 0.00 57.07 59.06 2wvx s TYR 660 Cb -0.01 0.22 0.07 0.00 0.42 0.00 0.00 41.96 42.65 2wvx s TYR 660 CO 0.04 -0.28 1.92 -0.35 0.64 0.00 0.00 175.55 177.52 2wvx n PRO 661 N 3.06 3.09 -0.33 4.97 -0.04 -1.26 -0.43 135.00 144.05 2wvx n PRO 661 Ca -0.15 -3.05 0.05 0.00 -0.04 0.00 0.00 63.50 60.31 2wvx n PRO 661 Cb 0.57 -3.38 0.21 0.00 -0.04 0.00 0.00 33.50 30.86 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 4.86 0.91 -2.87 0.52 2.07 -1.87 -3.33 116.25 116.54 2wvx h VAL 662 Ca 0.49 -0.31 -0.61 0.00 0.82 0.00 0.00 66.70 67.09 2wvx h VAL 662 Cb 0.77 -0.07 -0.41 0.00 -1.52 0.00 0.00 31.29 30.06 2wvx h VAL 662 CO 1.62 0.17 -0.71 0.00 0.02 0.00 0.00 177.57 178.67 2wvx n PRO 664 N 2.42 1.06 0.00 0.00 -0.02 -1.25 -1.58 135.00 135.64 2wvx n PRO 664 Ca 0.21 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2wvx n PRO 664 Cb 0.39 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.39 3.09 3.98 -1.23 0.00 -1.26 -4.88 105.19 106.29 2wvx n GLY 665 Ca 0.10 0.00 -0.21 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 -2.86 2.58 -0.68 2.61 -4.23 -0.61 -4.92 115.64 107.53 2wvx s THR 666 Ca 0.00 -0.68 0.12 0.00 -1.18 0.00 0.00 61.69 59.95 2wvx s THR 666 Cb 0.00 -2.90 0.61 0.00 1.34 0.00 0.00 72.50 71.55 2wvx s THR 666 CO 0.00 0.00 1.45 -0.90 -0.54 0.00 0.00 174.62 174.63 2wvx n ASP 667 N -2.39 4.37 -4.75 3.99 5.75 -1.26 -4.99 116.55 117.27 2wvx n ASP 667 Ca 0.09 -2.60 -0.35 0.00 -0.01 0.00 0.00 54.79 51.93 2wvx n ASP 667 Cb 0.60 -0.60 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 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 -2.17 3.09 -0.15 0.11 2.02 -1.26 -0.04 118.70 120.30 2wvx s GLU 668 Ca 0.41 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.02 2wvx s GLU 668 Cb 0.30 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2wvx s GLU 668 CO 0.14 0.70 -0.17 0.71 0.02 0.00 0.00 175.26 176.67 2wvx s TYR 669 N -1.01 2.75 0.00 1.61 1.51 0.15 -4.54 117.35 117.82 2wvx s TYR 669 Ca 0.17 -1.09 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 2wvx s TYR 669 Cb -0.12 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 2wvx s TYR 669 CO 0.06 -0.49 0.00 0.28 -1.11 0.00 0.00 175.55 174.29 2wvx n VAL 670 N 4.04 0.00 0.00 0.71 0.31 0.42 -0.21 118.33 123.61 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 0.77 3.39 2.92 0.00 0.15 -1.36 105.19 116.06 2wvx n GLY 672 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 2.20 -0.04 0.42 2.61 -1.32 -1.24 -4.68 115.64 113.58 2wvx s THR 673 Ca 0.00 0.07 -0.24 0.00 -1.21 0.00 0.00 61.69 60.31 2wvx s THR 673 Cb 0.00 -0.73 -0.09 0.00 -1.51 0.00 0.00 72.50 70.17 2wvx s THR 673 CO 0.00 0.03 1.08 -2.16 -2.21 0.00 0.00 174.62 171.36 2wvx s PRO 674 N 1.51 4.05 -0.04 7.08 0.04 -1.26 -4.38 135.00 142.00 2wvx s PRO 674 Ca -0.10 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.63 2wvx s PRO 674 Cb -0.07 -2.51 -0.23 0.00 0.04 0.00 0.00 34.50 31.73 2wvx s PRO 674 CO -0.15 -0.26 0.68 1.25 0.04 0.00 0.00 177.00 178.56 2wvx h LEU 675 N 2.37 0.06-10.10 -3.56 5.85 -1.21 -3.48 115.31 105.24 2wvx h LEU 675 Ca -0.49 -0.13 -0.48 0.00 0.84 0.00 0.00 57.88 57.63 2wvx h LEU 675 Cb 1.22 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2wvx h LEU 675 CO 0.62 1.11 -0.44 -0.36 -0.34 0.00 0.00 178.44 179.03 2wvx s PHE 676 N -2.60 3.13 0.27 1.25 0.08 -1.26 -4.87 117.98 113.98 2wvx s PHE 676 Ca -0.06 -0.17 0.18 0.00 0.12 0.00 0.00 56.93 57.00 2wvx s PHE 676 Cb 0.08 -1.69 0.79 0.00 -0.57 0.00 0.00 43.02 41.63 2wvx s PHE 676 CO 0.82 0.28 1.80 0.87 -0.10 0.00 0.00 175.22 178.90 2wvx h LYS 677 N 1.21 0.00 -2.46 0.44 1.57 -1.29 -3.41 116.57 112.64 2wvx h LYS 677 Ca -0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 2wvx h LYS 677 Cb 1.25 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 2wvx h LYS 677 CO 0.58 0.35 -0.12 0.21 -0.57 0.00 0.00 179.45 179.90 2wvx s LYS 678 N -3.86 0.59 -0.02 3.15 2.20 -0.90 -0.68 119.74 120.22 2wvx s LYS 678 Ca -0.01 0.78 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 2wvx s LYS 678 Cb 0.12 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2wvx s LYS 678 CO 0.69 -0.09 -0.06 0.00 -0.36 0.00 0.00 175.35 175.52 2wvx s ALA 679 N 0.57 0.63 -0.10 3.13 0.00 -0.57 -0.32 121.76 125.10 2wvx s ALA 679 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2wvx s ALA 679 Cb -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2wvx s ALA 679 CO -0.03 0.09 -0.20 0.99 0.00 0.00 0.00 175.76 176.61 2wvx s THR 680 N 0.23 1.80 -0.16 0.00 2.01 0.74 0.31 115.64 120.57 2wvx s THR 680 Ca -0.03 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 2wvx s THR 680 Cb -0.07 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2wvx s THR 680 CO -0.00 0.50 0.05 -0.76 -0.69 0.00 0.00 174.62 173.72 2wvx s LEU 681 N 0.62 3.74 -0.36 4.42 1.43 0.72 -1.11 118.68 128.14 2wvx s LEU 681 Ca -0.13 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2wvx s LEU 681 Cb -0.16 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.20 2wvx s LEU 681 CO 0.04 0.21 0.13 -1.00 0.23 0.00 0.00 176.35 175.96 2wvx s HIS 682 N 0.14 3.36 0.58 0.29 3.76 0.27 -0.61 115.29 123.08 2wvx s HIS 682 Ca 0.04 -1.83 -0.11 0.00 -0.15 0.00 0.00 55.06 53.01 2wvx s HIS 682 Cb -0.12 -2.62 -0.05 0.00 1.11 0.00 0.00 32.58 30.90 2wvx s HIS 682 CO 0.01 -0.84 0.98 -0.06 -0.85 0.00 0.00 174.74 173.98 2wvx s PHE 683 N 1.30 3.59 0.39 1.40 0.08 -0.15 -4.82 117.98 119.76 2wvx s PHE 683 Ca 0.01 1.24 0.29 0.00 0.12 0.00 0.00 56.93 58.59 2wvx s PHE 683 Cb -0.21 -2.66 1.47 0.00 -0.57 0.00 0.00 43.02 41.05 2wvx s PHE 683 CO -0.00 -0.57 2.07 0.93 -0.10 0.00 0.00 175.22 177.54 2wvx h GLU 684 N -0.03 0.00 0.00 0.44 5.08 -1.86 -1.90 114.58 116.30 2wvx h GLU 684 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 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 0.11 0.00 0.27 -1.00 0.00 0.00 179.01 179.01 2wvx n ASN 685 N -3.54 0.00 0.00 1.42 2.04 -1.26 -4.86 115.26 109.06 2wvx n ASN 685 Ca -0.02 -0.88 0.00 0.00 -0.44 0.00 0.00 54.58 53.25 2wvx n ASN 685 Cb 0.24 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 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 0.38 1.09 3.93 4.83 0.00 -0.71 -5.06 105.19 109.65 2wvx n GLY 686 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.74 5.67 0.02 1.61 0.01 -1.26 -4.89 114.94 113.36 2wvx s ASN 687 Ca 0.00 0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.66 2wvx s ASN 687 Cb 0.00 -1.59 -0.02 0.00 0.41 0.00 0.00 41.25 40.06 2wvx s ASN 687 CO 0.00 -0.92 -0.04 -0.44 -1.51 0.00 0.00 177.10 174.19 2wvx s SER 688 N -4.28 0.43 -0.11 -1.22 0.01 -1.26 -0.98 113.70 106.29 2wvx s SER 688 Ca 0.52 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.44 2wvx s SER 688 Cb -0.10 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2wvx s SER 688 CO 0.42 -0.16 -0.18 -0.22 0.41 0.00 0.00 173.24 173.51 2wvx s LEU 689 N -1.03 1.85 -0.19 2.44 2.96 0.22 -1.28 118.68 123.65 2wvx s LEU 689 Ca -0.09 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2wvx s LEU 689 Cb -0.07 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 2wvx s LEU 689 CO -0.00 0.05 0.09 -0.69 -1.32 0.00 0.00 176.35 174.48 2wvx s VAL 690 N 0.81 5.06 -0.38 1.68 1.01 0.03 -0.20 120.40 128.42 2wvx s VAL 690 Ca -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 2wvx s VAL 690 Cb -0.16 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.01 2wvx s VAL 690 CO 0.01 0.46 0.16 -0.63 0.00 0.00 0.00 175.10 175.09 2wvx s ILE 691 N 0.33 3.45 -0.21 2.22 1.01 0.15 -0.17 121.20 127.98 2wvx s ILE 691 Ca 0.05 -1.70 -0.12 0.00 0.00 0.00 0.00 60.65 58.88 2wvx s ILE 691 Cb -0.12 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2wvx s ILE 691 CO -0.01 -0.48 0.24 -1.81 0.00 0.00 0.00 174.94 172.88 2wvx s ASP 692 N 1.73 6.26 -0.41 3.58 1.11 0.12 -1.51 116.67 127.54 2wvx s ASP 692 Ca 0.03 0.29 0.08 0.00 0.18 0.00 0.00 52.55 53.13 2wvx s ASP 692 Cb -0.22 -2.15 0.26 0.00 1.07 0.00 0.00 42.92 41.88 2wvx s ASP 692 CO -0.02 0.04 0.65 0.00 1.18 0.00 0.00 175.17 177.02 2wvx n ALA 693 N 4.16 1.42 0.30 5.23 0.00 0.15 0.42 120.51 132.20 2wvx n ALA 693 Ca -0.13 -2.89 0.17 0.00 0.00 0.00 0.00 53.44 50.59 2wvx n ALA 693 Cb 0.52 -0.95 0.78 0.00 0.00 0.00 0.00 19.45 19.80 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 3.84 0.00 -0.68 0.00 0.13 -1.75 -0.86 132.00 132.68 2wvx h PRO 694 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2wvx h PRO 694 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2wvx h PRO 694 CO 0.42 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.48 2wvx n ASN 695 N -2.85 4.37 -4.76 1.44 5.15 -1.26 -4.97 115.26 112.39 2wvx n ASN 695 Ca -0.00 -2.29 -0.38 0.00 -0.60 0.00 0.00 54.58 51.30 2wvx n ASN 695 Cb 0.20 -0.54 0.02 0.00 -0.53 0.00 0.00 39.78 38.94 2wvx n ASN 695 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2wvx s ASN 696 N -0.91 5.60 0.23 1.20 3.84 -0.33 -4.74 114.94 119.82 2wvx s ASN 696 Ca 0.49 2.70 -0.21 0.00 0.21 0.00 0.00 52.86 56.05 2wvx s ASN 696 Cb 0.30 -2.63 0.07 0.00 -0.55 0.00 0.00 41.25 38.43 2wvx s ASN 696 CO 0.27 -1.34 0.97 -0.94 -2.79 0.00 0.00 177.10 173.26 2wvx s SER 697 N -0.95 -0.03 0.23 -4.21 1.04 -1.24 -4.89 113.70 103.67 2wvx s SER 697 Ca 0.67 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 56.31 2wvx s SER 697 Cb -0.39 0.58 0.37 0.00 0.10 0.00 0.00 66.02 66.68 2wvx s SER 697 CO 0.47 -1.14 1.77 0.74 0.98 0.00 0.00 173.24 176.06 2wvx h THR 698 N 2.00 0.82 0.00 2.02 2.02 -1.96 -3.00 112.91 114.81 2wvx h THR 698 Ca -0.28 -0.20 -0.26 0.00 0.77 0.00 0.00 66.41 66.44 2wvx h THR 698 Cb 1.23 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2wvx h THR 698 CO 0.35 0.11 -1.41 -0.33 0.37 0.00 0.00 175.52 174.61 2wvx h GLU 699 N 0.59 0.01 -4.86 6.66 3.07 -1.97 -3.42 114.58 114.66 2wvx h GLU 699 Ca 0.37 -0.01 -0.73 0.00 -0.50 0.00 0.00 59.36 58.49 2wvx h GLU 699 Cb 0.42 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.17 2wvx h GLU 699 CO -0.29 0.72 1.30 -0.80 -1.40 0.00 0.00 179.01 178.54 2wvx s ASN 700 N -6.37 6.98 0.00 1.42 0.02 -1.13 -4.24 114.94 111.62 2wvx s ASN 700 Ca -0.02 -2.80 0.09 0.00 -1.02 0.00 0.00 52.86 49.10 2wvx s ASN 700 Cb 0.09 -2.41 0.11 0.00 0.02 0.00 0.00 41.25 39.06 2wvx s ASN 700 CO 0.82 -0.82 0.88 2.22 0.02 0.00 0.00 177.10 180.22 2wvx n PHE 701 N 5.94 0.08 -3.61 2.20 1.16 -1.00 -3.63 117.46 118.61 2wvx n PHE 701 Ca 0.35 -0.11 -0.34 0.00 -1.87 0.00 0.00 57.45 55.48 2wvx n PHE 701 Cb 0.44 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.80 3.57 -0.40 2.97 2.02 -0.41 -4.72 117.35 119.58 2wvx s TYR 702 Ca 0.12 0.74 -0.24 0.00 -0.37 0.00 0.00 57.07 57.33 2wvx s TYR 702 Cb 0.08 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2wvx s TYR 702 CO 0.12 0.53 0.81 0.42 -1.57 0.00 0.00 175.55 175.85 2wvx s ILE 703 N -1.40 4.67 -0.06 2.71 1.01 -1.26 -0.52 121.20 126.34 2wvx s ILE 703 Ca 0.33 0.73 0.13 0.00 0.00 0.00 0.00 60.65 61.84 2wvx s ILE 703 Cb -0.14 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 37.91 2wvx s ILE 703 CO 0.18 -0.58 0.96 -0.78 0.00 0.00 0.00 174.94 174.72 2wvx h ASP 704 N 8.72 0.00 -1.34 3.58 3.58 -0.45 -3.42 116.42 127.09 2wvx h ASP 704 Ca -0.25 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.34 2wvx h ASP 704 Cb 1.09 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 2wvx h ASP 704 CO 0.94 0.77 0.39 -1.54 -2.88 0.00 0.00 179.24 176.92 2wvx n SER 705 N -3.07 -0.73 -3.50 2.28 3.41 -1.21 -4.96 113.62 105.84 2wvx n SER 705 Ca -0.08 -1.27 -0.15 0.00 -0.26 0.00 0.00 58.87 57.10 2wvx n SER 705 Cb 0.91 1.15 -0.05 0.00 -0.26 0.00 0.00 64.21 65.96 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 -2.34 -0.59 -0.22 4.04 1.04 0.62 -0.36 113.70 115.89 2wvx s SER 707 Ca 0.14 0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.97 2wvx s SER 707 Cb -0.01 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.71 2wvx s SER 707 CO 0.01 -0.74 -0.09 0.12 0.98 0.00 0.00 173.24 173.52 2wvx s PHE 708 N -2.22 2.60 -1.45 5.02 2.19 0.37 -0.54 117.98 123.95 2wvx s PHE 708 Ca -0.06 -1.81 -0.05 0.00 0.33 0.00 0.00 56.93 55.33 2wvx s PHE 708 Cb -0.00 -1.68 0.04 0.00 -1.31 0.00 0.00 43.02 40.06 2wvx s PHE 708 CO 0.01 -0.79 0.66 0.09 1.83 0.00 0.00 175.22 177.02 2wvx n ASN 709 N 4.62 -1.85 0.00 6.13 5.03 0.19 -1.66 115.26 127.73 2wvx n ASN 709 Ca -0.14 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.40 2wvx n ASN 709 Cb 0.45 -3.46 0.00 0.00 -1.02 0.00 0.00 39.78 35.75 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 -1.73 2.51 3.68 7.41 0.00 -1.26 -4.99 105.19 110.81 2wvx n GLY 710 Ca -0.18 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.05 3.61 0.36 4.61 0.00 -0.66 -4.92 121.76 123.70 2wvx s ALA 711 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 2wvx s ALA 711 Cb 0.00 -3.64 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 2wvx s ALA 711 CO 0.00 -1.05 1.47 -3.47 0.00 0.00 0.00 175.76 172.70 2wvx n ASP 712 N 5.84 3.63 -3.72 0.00 2.03 -1.26 -0.48 116.55 122.59 2wvx n ASP 712 Ca 0.14 1.22 -0.28 0.00 0.52 0.00 0.00 54.79 56.39 2wvx n ASP 712 Cb 0.43 -1.60 -0.16 0.00 -0.72 0.00 0.00 41.12 39.07 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 -1.00 0.98 -1.30 -0.67 5.65 -1.26 -4.81 115.29 112.88 2wvx s HIS 713 Ca 0.55 -0.88 0.16 0.00 0.25 0.00 0.00 55.06 55.13 2wvx s HIS 713 Cb -0.49 -1.05 -0.04 0.00 -1.18 0.00 0.00 32.58 29.82 2wvx s HIS 713 CO 0.62 -0.63 0.80 0.25 -0.65 0.00 0.00 174.74 175.13 2wvx n THR 714 N 5.06 0.00 -2.15 0.89 -2.24 -1.26 -4.69 114.28 109.89 2wvx n THR 714 Ca -0.08 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 2wvx n THR 714 Cb 0.47 1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 -1.98 3.76 -0.09 -0.78 1.02 -1.26 -3.95 119.74 116.46 2wvx s LYS 715 Ca 0.12 1.93 0.04 0.00 0.02 0.00 0.00 55.97 58.07 2wvx s LYS 715 Cb 0.12 -2.50 0.26 0.00 -0.52 0.00 0.00 37.83 35.20 2wvx s LYS 715 CO 0.44 -0.60 0.95 0.09 -0.92 0.00 0.00 175.35 175.32 2wvx n ASN 716 N -0.35 2.62 -3.73 2.83 5.03 0.10 -4.87 115.26 116.89 2wvx n ASN 716 Ca 0.07 -2.33 -0.10 0.00 0.87 0.00 0.00 54.58 53.09 2wvx n ASN 716 Cb 0.46 -0.57 -0.06 0.00 -1.02 0.00 0.00 39.78 38.60 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 -1.51 -0.05 0.09 3.10 1.13 -1.26 -4.47 117.35 114.38 2wvx s TYR 717 Ca 0.18 -0.31 0.10 0.00 -1.41 0.00 0.00 57.07 55.62 2wvx s TYR 717 Cb 0.14 0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 41.08 2wvx s TYR 717 CO 0.05 -0.63 -0.25 -0.51 -2.51 0.00 0.00 175.55 171.70 2wvx s LEU 718 N -2.80 2.26 -0.16 -3.49 1.43 0.71 -4.95 118.68 111.68 2wvx s LEU 718 Ca 0.03 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 2wvx s LEU 718 Cb 0.03 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 2wvx s LEU 718 CO -0.11 0.18 0.14 -0.13 0.23 0.00 0.00 176.35 176.66 2wvx s ARG 719 N -1.71 3.82 0.24 1.70 0.52 -1.26 -0.68 118.95 121.58 2wvx s ARG 719 Ca 0.11 -0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 2wvx s ARG 719 Cb -0.10 -3.31 0.33 0.00 0.52 0.00 0.00 34.95 32.39 2wvx s ARG 719 CO 0.04 0.54 1.61 1.25 0.02 0.00 0.00 175.30 178.76 2wvx h HIS 720 N 5.83 -0.36 -0.72 -0.53 -0.00 -0.83 -0.74 115.15 117.80 2wvx h HIS 720 Ca -0.48 0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 59.90 2wvx h HIS 720 Cb 1.19 0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 28.85 2wvx h HIS 720 CO 0.67 -0.32 0.23 0.93 -0.00 0.00 0.00 177.93 179.44 2wvx h GLU 721 N 0.01 1.11 -0.48 5.26 3.07 -1.96 -1.82 114.58 119.78 2wvx h GLU 721 Ca 0.37 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.91 2wvx h GLU 721 Cb 0.58 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2wvx h GLU 721 CO -0.77 0.94 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.28 2wvx h ASP 722 N 1.07 0.89 -0.40 1.42 3.32 -1.65 -2.74 116.42 118.33 2wvx h ASP 722 Ca 0.23 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2wvx h ASP 722 Cb 0.29 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2wvx h ASP 722 CO -0.01 1.01 0.24 -0.07 -1.72 0.00 0.00 179.24 178.69 2wvx h LEU 723 N 0.74 0.48 -2.44 1.55 3.38 -0.89 -2.59 115.31 115.54 2wvx h LEU 723 Ca 0.13 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wvx h LEU 723 Cb 0.60 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wvx h LEU 723 CO 0.04 0.40 0.04 -0.26 0.09 0.00 0.00 178.44 178.75 2wvx h PHE 724 N 0.52 0.00 0.00 1.13 -1.00 -1.22 -0.18 116.94 116.19 2wvx h PHE 724 Ca 0.14 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 2wvx h PHE 724 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2wvx h PHE 724 CO -0.03 0.00 -0.21 0.87 -1.61 0.00 0.00 178.31 177.33 2wvx h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.16 -3.44 116.57 115.06 2wvx h LYS 725 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2wvx h LYS 725 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2wvx h LYS 725 CO -0.00 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 2wvx n GLY 726 N -0.01 -3.15 0.00 3.86 0.00 -0.08 -4.80 105.19 101.02 2wvx n GLY 726 Ca -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.29 0.30 2.76 -0.02 0.00 -0.40 -4.92 105.19 102.61 2wvx n GLY 727 Ca 0.00 -1.91 -0.18 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.83 0.03 -0.14 2.61 2.01 -1.26 -0.79 115.64 117.28 2wvx s THR 728 Ca 0.00 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 2wvx s THR 728 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2wvx s THR 728 CO 0.00 0.15 0.04 -0.63 -0.69 0.00 0.00 174.62 173.49 2wvx s ILE 729 N 1.45 4.61 -0.13 1.82 1.01 0.76 0.57 121.20 131.30 2wvx s ILE 729 Ca -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2wvx s ILE 729 Cb -0.13 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2wvx s ILE 729 CO -0.03 0.52 -0.21 -0.75 0.00 0.00 0.00 174.94 174.48 2wvx s LYS 730 N -0.13 3.09 -0.17 2.79 2.20 0.30 0.13 119.74 127.95 2wvx s LYS 730 Ca 0.06 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2wvx s LYS 730 Cb -0.12 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 2wvx s LYS 730 CO 0.01 0.07 -0.15 0.08 -0.36 0.00 0.00 175.35 175.00 2wvx s VAL 731 N 0.64 2.61 0.62 4.02 1.01 0.17 -0.28 120.40 129.19 2wvx s VAL 731 Ca -0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2wvx s VAL 731 Cb -0.16 -2.11 0.07 0.00 0.00 0.00 0.00 36.38 34.17 2wvx s VAL 731 CO 0.02 0.51 0.87 -1.81 0.00 0.00 0.00 175.10 174.69 2wvx s ASP 732 N 0.97 4.92 0.00 3.32 1.01 0.52 -4.28 116.67 123.12 2wvx s ASP 732 Ca -0.02 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.15 2wvx s ASP 732 Cb -0.15 -0.61 0.00 0.00 1.01 0.00 0.00 42.92 43.18 2wvx s ASP 732 CO -0.03 -1.42 0.00 -0.24 0.21 0.00 0.00 175.17 173.69 2wvx n SER 734 N -2.56 0.00 -0.40 0.27 2.88 0.32 0.35 113.62 114.48 2wvx n SER 734 Ca 0.10 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.78 2wvx n SER 734 Cb 0.60 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.62 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 1.24 -4.24 -3.46 6.94 -1.26 -1.29 115.26 113.19 2wvx n ASN 735 Ca 0.00 -1.46 -0.21 0.00 -0.02 0.00 0.00 54.58 52.89 2wvx n ASN 735 Cb 0.00 -0.02 -0.12 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.96 1.02 0.55 -3.83 3.00 -1.26 -4.92 118.95 111.55 2wvx s ARG 736 Ca 0.38 -1.13 -0.16 0.00 0.00 0.00 0.00 55.73 54.81 2wvx s ARG 736 Cb 0.20 -1.11 -0.06 0.00 0.00 0.00 0.00 34.95 33.98 2wvx s ARG 736 CO 0.32 0.24 1.02 -1.25 0.00 0.00 0.00 175.30 175.64 2wvx s PRO 737 N -2.07 3.63 -0.51 3.54 0.04 -1.26 -4.79 135.00 133.58 2wvx s PRO 737 Ca 0.05 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 2wvx s PRO 737 Cb -0.09 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.50 2wvx s PRO 737 CO 0.04 -0.55 0.44 1.21 0.04 0.00 0.00 177.00 178.18 2wvx s ASN 738 N -2.83 6.00 0.00 6.66 3.84 -1.26 -4.94 114.94 122.41 2wvx s ASN 738 Ca 0.62 -1.82 0.13 0.00 0.21 0.00 0.00 52.86 51.99 2wvx s ASN 738 Cb -0.13 -2.13 0.58 0.00 -0.55 0.00 0.00 41.25 39.01 2wvx s ASN 738 CO 0.33 -0.79 1.37 0.18 -2.79 0.00 0.00 177.10 175.40 2wvx n LEU 739 N 5.12 0.00 -0.04 3.21 4.32 -1.26 -2.91 117.00 125.43 2wvx n LEU 739 Ca -0.12 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 2wvx n LEU 739 Cb 0.40 -0.42 -0.13 0.00 -1.62 0.00 0.00 43.42 41.66 2wvx n LEU 739 CO 0.50 -0.24 -0.85 0.59 -1.22 0.00 0.00 177.39 176.17 2wvx n ASN 740 N -1.42 1.19 -4.73 -1.43 5.03 -1.26 -4.93 115.26 107.71 2wvx n ASN 740 Ca 0.04 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.08 2wvx n ASN 740 Cb 0.13 1.32 -0.04 0.00 -1.02 0.00 0.00 39.78 40.17 2wvx n ASN 740 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2wvx s ARG 741 N -2.76 4.61 -0.27 3.52 3.52 -1.15 -3.89 118.95 122.53 2wvx s ARG 741 Ca -0.07 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 2wvx s ARG 741 Cb 0.08 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2wvx s ARG 741 CO 0.66 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 2wvx n GLY 742 N 2.24 0.29 0.29 8.12 0.00 -1.25 -4.69 105.19 110.18 2wvx n GLY 742 Ca 0.03 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.87 0.00 -2.45 2.61 -2.24 -1.25 -4.64 114.28 102.44 2wvx n THR 743 Ca -0.04 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.10 2wvx n THR 743 Cb 0.48 1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.72 3.68 0.28 -0.78 1.02 -1.26 -4.84 119.74 116.13 2wvx s LYS 744 Ca 0.11 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.64 2wvx s LYS 744 Cb 0.11 -2.26 0.51 0.00 -0.52 0.00 0.00 37.83 35.67 2wvx s LYS 744 CO 0.36 -0.27 1.87 1.49 -0.92 0.00 0.00 175.35 177.87 2wvx h GLU 745 N 0.46 1.02 0.00 1.68 4.22 -2.02 -1.43 114.58 118.51 2wvx h GLU 745 Ca -0.46 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2wvx h GLU 745 Cb 1.19 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2wvx h GLU 745 CO 0.62 0.67 0.00 1.05 -2.18 0.00 0.00 179.01 179.18 2wvx h GLU 746 N 1.05 0.00 -3.52 1.92 9.09 -2.00 -3.46 114.58 117.66 2wvx h GLU 746 Ca 0.45 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 59.17 2wvx h GLU 746 Cb 0.34 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 2wvx h GLU 746 CO -0.21 0.00 3.35 -0.25 0.05 0.00 0.00 179.01 181.95 2wvx n ASP 747 N -2.36 6.07 -4.60 3.06 8.00 -0.54 -4.86 116.55 121.33 2wvx n ASP 747 Ca 0.02 -2.76 -0.32 0.00 0.71 0.00 0.00 54.79 52.44 2wvx n ASP 747 Cb 0.23 -1.60 -0.07 0.00 -0.02 0.00 0.00 41.12 39.67 2wvx n ASP 747 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2wvx n PRO 749 N 4.80 0.73 -1.71 -0.24 -0.02 -1.26 -0.73 135.00 136.58 2wvx n PRO 749 Ca 0.63 -3.71 -0.43 0.00 -2.02 0.00 0.00 63.50 57.96 2wvx n PRO 749 Cb 0.32 1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 34.90 2wvx n PRO 749 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2wvx n TYR 750 N -1.23 2.59 -4.00 6.00 9.36 -1.26 -5.02 117.16 123.59 2wvx n TYR 750 Ca -0.19 0.25 -0.16 0.00 3.32 0.00 0.00 57.90 61.12 2wvx n TYR 750 Cb 0.65 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 36.63 2wvx n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2wvx s SER 751 N 0.66 0.41 0.20 2.98 0.01 -1.26 -4.59 113.70 112.11 2wvx s SER 751 Ca 0.70 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.80 2wvx s SER 751 Cb -0.56 -0.14 0.17 0.00 0.21 0.00 0.00 66.02 65.70 2wvx s SER 751 CO 0.44 -0.03 1.84 0.15 0.41 0.00 0.00 173.24 176.05 2wvx h PHE 752 N 6.64 0.77 -0.26 2.43 3.57 -1.28 0.50 116.94 129.31 2wvx h PHE 752 Ca -0.34 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.25 2wvx h PHE 752 Cb 1.17 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2wvx h PHE 752 CO 0.46 0.44 0.24 0.77 -2.23 0.00 0.00 178.31 177.98 2wvx h SER 753 N 0.80 0.00 0.68 0.41 0.02 -1.91 -0.20 113.55 113.34 2wvx h SER 753 Ca 0.27 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.96 2wvx h SER 753 Cb 0.02 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2wvx h SER 753 CO -0.11 0.00 -1.45 0.11 -1.14 0.00 0.00 176.83 174.24 2wvx h LYS 754 N 0.00 0.00 0.00 3.45 1.57 -1.33 -3.51 116.57 116.76 2wvx h LYS 754 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2wvx h LYS 754 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2wvx h LYS 754 CO -0.00 0.63 0.00 -1.91 -0.57 0.00 0.00 179.45 177.60