#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvz s ASP 21 N 0.00 6.38 -0.01 3.14 2.15 -1.26 -4.98 116.67 122.10 2wvz s ASP 21 Ca 0.00 0.46 0.07 0.00 0.43 0.00 0.00 52.55 53.50 2wvz s ASP 21 Cb 0.00 -2.08 -0.09 0.00 -0.30 0.00 0.00 42.92 40.44 2wvz s ASP 21 CO 0.00 0.36 0.20 0.79 -0.17 0.00 0.00 175.17 176.36 2wvz n TRP 22 N 2.25 0.00 0.00 -5.34 8.01 -1.26 -4.55 117.44 116.55 2wvz n TRP 22 Ca -0.19 0.00 0.21 0.00 -1.31 0.00 0.00 57.50 56.21 2wvz n TRP 22 Cb 0.54 -0.10 0.71 0.00 -2.01 0.00 0.00 31.31 30.46 2wvz n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2wvz h THR 23 N 0.00 0.65 -0.01 -0.99 1.35 -1.93 -1.52 112.91 110.46 2wvz h THR 23 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wvz h THR 23 Cb 0.25 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2wvz h THR 23 CO 0.00 0.00 0.01 0.06 -0.25 0.00 0.00 175.52 175.34 2wvz h GLN 24 N 0.00 0.00 -0.00 4.72 3.07 -2.02 -0.43 115.11 120.45 2wvz h GLN 24 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 2wvz h GLN 24 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 2wvz h GLN 24 CO -0.00 0.00 -0.48 0.66 0.09 0.00 0.00 178.83 179.10 2wvz n TYR 25 N -3.59 0.00 -2.95 0.06 4.01 -0.57 -4.89 117.16 109.23 2wvz n TYR 25 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 2wvz n TYR 25 Cb 0.09 -0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 2wvz n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wvz s VAL 26 N -2.82 4.72 -0.33 -0.72 1.01 -0.17 -4.26 120.40 117.83 2wvz s VAL 26 Ca 0.15 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.85 2wvz s VAL 26 Cb 0.18 -4.14 0.10 0.00 0.00 0.00 0.00 36.38 32.51 2wvz s VAL 26 CO 0.66 0.35 0.05 0.21 0.00 0.00 0.00 175.10 176.37 2wvz s ASN 27 N 0.01 4.55 0.00 3.32 2.47 -1.26 -4.86 114.94 119.16 2wvz s ASN 27 Ca 0.40 -1.97 0.05 0.00 0.42 0.00 0.00 52.86 51.75 2wvz s ASN 27 Cb -0.21 -1.42 0.24 0.00 -1.45 0.00 0.00 41.25 38.41 2wvz s ASN 27 CO 0.24 -0.38 0.96 -2.65 -3.72 0.00 0.00 177.10 171.55 2wvz n PRO 28 N 4.42 0.08 0.03 0.43 -0.02 -1.26 -2.19 135.00 136.48 2wvz n PRO 28 Ca 0.01 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 2wvz n PRO 28 Cb 0.42 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 2wvz n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wvz n LEU 29 N -1.25 0.32 -4.70 2.45 4.77 -1.26 -3.35 117.00 113.98 2wvz n LEU 29 Ca 0.02 0.10 -0.53 0.00 -0.03 0.00 0.00 56.01 55.57 2wvz n LEU 29 Cb 0.03 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2wvz n LEU 29 CO 0.03 -0.05 1.42 0.80 -1.33 0.00 0.00 177.39 178.26 2wvz n MET 30 N -2.37 1.71 -0.00 3.23 1.56 -0.93 0.19 117.12 120.51 2wvz n MET 30 Ca -0.02 0.63 0.00 0.00 -0.27 0.00 0.00 57.70 58.04 2wvz n MET 30 Cb 0.55 -2.40 0.00 0.00 2.15 0.00 0.00 33.22 33.52 2wvz n MET 30 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wvz n GLY 31 N 4.33 0.18 0.17 -5.12 0.00 -0.77 -4.74 105.19 99.24 2wvz n GLY 31 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 2wvz n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wvz h SER 32 N 0.00 0.00 -0.43 1.61 4.64 0.17 -0.16 113.55 119.37 2wvz h SER 32 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2wvz h SER 32 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2wvz h SER 32 CO 0.00 0.15 3.07 1.67 -0.87 0.00 0.00 176.83 180.85 2wvz n GLN 33 N -3.03 3.56 -4.35 4.77 7.27 -0.27 -2.52 117.38 122.81 2wvz n GLN 33 Ca 0.02 -2.77 -0.22 0.00 0.07 0.00 0.00 57.00 54.09 2wvz n GLN 33 Cb 0.60 -2.95 -0.11 0.00 2.41 0.00 0.00 30.24 30.19 2wvz n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2wvz s SER 34 N 1.98 2.82 0.25 1.69 0.01 -1.26 -4.41 113.70 114.77 2wvz s SER 34 Ca 0.54 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.97 2wvz s SER 34 Cb 0.15 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 2wvz s SER 34 CO -0.06 -0.01 0.01 0.42 0.41 0.00 0.00 173.24 174.00 2wvz s THR 35 N -2.03 1.06 0.33 1.44 -4.23 -0.97 -4.94 115.64 106.30 2wvz s THR 35 Ca 0.17 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.72 2wvz s THR 35 Cb -0.06 -2.44 0.31 0.00 1.34 0.00 0.00 72.50 71.66 2wvz s THR 35 CO 0.07 -0.25 1.84 0.15 -0.54 0.00 0.00 174.62 175.89 2wvz h PHE 36 N 2.40 0.93 0.00 3.99 3.57 -2.02 -2.75 116.94 123.06 2wvz h PHE 36 Ca -0.39 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.02 2wvz h PHE 36 Cb 1.23 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2wvz h PHE 36 CO 0.57 0.31 -0.58 0.93 -2.23 0.00 0.00 178.31 177.31 2wvz h GLU 37 N 0.75 0.00 -2.23 1.11 3.07 -1.96 -3.40 114.58 111.92 2wvz h GLU 37 Ca 0.49 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.20 2wvz h GLU 37 Cb 0.76 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.37 2wvz h GLU 37 CO -0.26 0.58 -0.47 -1.17 -1.40 0.00 0.00 179.01 176.29 2wvz s LEU 38 N -6.52 -0.56 0.02 1.33 2.96 -1.04 -4.16 118.68 110.72 2wvz s LEU 38 Ca 0.03 0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 54.19 2wvz s LEU 38 Cb 0.08 1.08 -0.06 0.00 0.50 0.00 0.00 46.19 47.79 2wvz s LEU 38 CO 0.76 -0.28 0.61 -0.55 -1.32 0.00 0.00 176.35 175.57 2wvz s SER 39 N 2.53 7.03 -0.30 3.68 0.15 -1.25 -2.28 113.70 123.26 2wvz s SER 39 Ca 0.07 1.23 0.09 0.00 0.70 0.00 0.00 55.95 58.04 2wvz s SER 39 Cb -0.14 -2.38 0.53 0.00 -1.71 0.00 0.00 66.02 62.33 2wvz s SER 39 CO -0.14 0.13 1.52 0.35 1.20 0.00 0.00 173.24 176.31 2wvz n THR 40 N 2.49 2.62 0.00 6.45 -2.24 -1.26 -3.44 114.28 118.90 2wvz n THR 40 Ca -0.07 -2.53 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 2wvz n THR 40 Cb 0.51 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2wvz n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wvz n GLY 41 N -1.04 4.12 4.00 3.38 0.00 -1.07 -1.72 105.19 112.85 2wvz n GLY 41 Ca 0.35 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 2wvz n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvz n ASN 42 N 0.00 -0.96 -4.98 1.61 3.02 -0.83 -1.03 115.26 112.08 2wvz n ASN 42 Ca 0.00 -1.00 -0.20 0.00 -0.03 0.00 0.00 54.58 53.35 2wvz n ASN 42 Cb 0.00 -3.03 0.02 0.00 -0.61 0.00 0.00 39.78 36.16 2wvz n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wvz s THR 43 N -3.83 2.33 0.15 3.41 -4.23 -0.13 -4.64 115.64 108.70 2wvz s THR 43 Ca 0.15 -1.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2wvz s THR 43 Cb -0.08 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 2wvz s THR 43 CO 0.89 0.00 -0.12 -0.72 -0.54 0.00 0.00 174.62 174.13 2wvz s TYR 44 N -2.58 1.40 -0.33 3.99 1.13 -1.26 -4.17 117.35 115.52 2wvz s TYR 44 Ca 0.53 -0.66 -0.29 0.00 -1.41 0.00 0.00 57.07 55.24 2wvz s TYR 44 Cb -0.06 -0.70 -0.01 0.00 -1.10 0.00 0.00 41.96 40.10 2wvz s TYR 44 CO 0.32 0.16 1.61 -1.25 -2.51 0.00 0.00 175.55 173.88 2wvz s PRO 45 N -3.41 3.54 -0.57 -3.49 0.04 -1.21 -4.89 135.00 125.01 2wvz s PRO 45 Ca 0.16 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 2wvz s PRO 45 Cb -0.00 -4.09 0.10 0.00 0.04 0.00 0.00 34.50 30.54 2wvz s PRO 45 CO 0.03 -1.60 0.67 0.00 0.04 0.00 0.00 177.00 176.14 2wvz s ALA 46 N 5.92 3.43 -0.44 8.56 0.00 -1.26 -4.42 121.76 133.54 2wvz s ALA 46 Ca 0.71 -2.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 2wvz s ALA 46 Cb -0.20 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.47 2wvz s ALA 46 CO 0.32 -2.27 0.75 0.42 0.00 0.00 0.00 175.76 174.98 2wvz s ILE 47 N 2.58 4.69 0.12 0.00 -1.09 0.11 -4.79 121.20 122.82 2wvz s ILE 47 Ca 0.11 0.37 -0.25 0.00 -2.23 0.00 0.00 60.65 58.65 2wvz s ILE 47 Cb -0.24 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.42 2wvz s ILE 47 CO 0.07 -0.68 0.78 0.00 -1.23 0.00 0.00 174.94 173.88 2wvz s ALA 48 N 3.18 -1.63 0.48 9.38 0.00 -0.74 -1.23 121.76 131.19 2wvz s ALA 48 Ca 0.28 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2wvz s ALA 48 Cb -0.13 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 2wvz s ALA 48 CO 0.22 -0.83 0.88 1.03 0.00 0.00 0.00 175.76 177.06 2wvz s ARG 49 N -3.48 3.79 0.17 0.00 1.81 -1.26 -4.52 118.95 115.46 2wvz s ARG 49 Ca 0.06 0.65 -0.33 0.00 -1.72 0.00 0.00 55.73 54.39 2wvz s ARG 49 Cb -0.02 -2.26 -0.16 0.00 -0.45 0.00 0.00 34.95 32.07 2wvz s ARG 49 CO -0.06 -0.20 1.23 -2.30 -0.68 0.00 0.00 175.30 173.28 2wvz n PRO 50 N -1.68 1.29 -2.18 3.54 -0.02 -1.26 -0.87 135.00 133.82 2wvz n PRO 50 Ca 0.04 0.46 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 2wvz n PRO 50 Cb 0.54 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 2wvz n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2wvz n TRP 51 N 1.73 -1.40 -1.73 6.00 8.01 -0.33 -4.89 117.44 124.84 2wvz n TRP 51 Ca 0.15 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.92 2wvz n TRP 51 Cb 0.25 -2.07 -0.00 0.00 -2.01 0.00 0.00 31.31 27.47 2wvz n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wvz n GLY 52 N -0.57 0.84 0.28 6.99 0.00 -0.05 -0.51 105.19 112.17 2wvz n GLY 52 Ca -0.09 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.28 2wvz n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2wvz h MET 53 N 2.71 0.40 -4.83 1.61 4.05 -1.45 -3.39 114.93 114.02 2wvz h MET 53 Ca -0.48 -0.04 -0.54 0.00 -0.28 0.00 0.00 59.70 58.36 2wvz h MET 53 Cb 1.27 -0.08 -0.33 0.00 -0.80 0.00 0.00 31.60 31.66 2wvz h MET 53 CO 0.63 0.34 -0.83 -0.80 0.23 0.00 0.00 176.91 176.48 2wvz s ASN 54 N -6.79 1.98 0.03 1.39 0.01 -0.83 -4.92 114.94 105.81 2wvz s ASN 54 Ca -0.07 -0.33 0.02 0.00 -0.71 0.00 0.00 52.86 51.77 2wvz s ASN 54 Cb 0.17 -0.80 -0.04 0.00 0.41 0.00 0.00 41.25 40.99 2wvz s ASN 54 CO 0.73 0.08 0.01 -0.36 -1.51 0.00 0.00 177.10 176.05 2wvz s PHE 55 N 0.43 3.07 -0.10 2.20 0.08 -0.87 -4.75 117.98 118.03 2wvz s PHE 55 Ca -0.12 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.01 2wvz s PHE 55 Cb -0.14 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 2wvz s PHE 55 CO 0.04 0.47 -0.17 -1.58 -0.10 0.00 0.00 175.22 173.88 2wvz s TRP 56 N -1.18 2.69 -0.02 0.36 0.52 -0.37 0.11 118.94 121.06 2wvz s TRP 56 Ca 0.22 -0.69 0.01 0.00 0.02 0.00 0.00 56.10 55.66 2wvz s TRP 56 Cb -0.12 -1.75 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 2wvz s TRP 56 CO 0.14 -0.21 -0.04 -0.08 0.02 0.00 0.00 176.95 176.77 2wvz s THR 57 N 0.15 0.42 0.49 2.01 -1.32 -0.22 -0.71 115.64 116.46 2wvz s THR 57 Ca -0.09 -0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.02 2wvz s THR 57 Cb -0.16 -0.40 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 2wvz s THR 57 CO 0.06 0.15 0.74 -0.81 -2.21 0.00 0.00 174.62 172.55 2wvz n PRO 58 N 3.43 0.82 -4.05 7.08 -0.04 -1.26 -1.29 135.00 139.70 2wvz n PRO 58 Ca -0.19 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 2wvz n PRO 58 Cb 0.55 -1.82 -0.16 0.00 -0.04 0.00 0.00 33.50 32.03 2wvz n PRO 58 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2wvz s GLN 59 N -2.03 2.50 -0.18 0.54 0.74 0.43 -4.72 119.66 116.94 2wvz s GLN 59 Ca 0.67 -0.72 0.17 0.00 0.05 0.00 0.00 55.36 55.52 2wvz s GLN 59 Cb -0.52 -2.34 -0.24 0.00 1.10 0.00 0.00 33.01 31.01 2wvz s GLN 59 CO 0.55 -0.27 0.15 0.25 -0.55 0.00 0.00 175.29 175.42 2wvz n THR 60 N 4.69 1.43 -1.88 -0.34 -2.24 0.52 -0.84 114.28 115.62 2wvz n THR 60 Ca -0.18 -0.84 -0.30 0.00 -2.27 0.00 0.00 64.05 60.46 2wvz n THR 60 Cb 0.49 -0.58 0.05 0.00 -2.10 0.00 0.00 70.33 68.19 2wvz n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wvz s GLY 61 N -5.47 1.63 0.38 3.38 0.00 -0.33 -4.68 107.32 102.23 2wvz s GLY 61 Ca -0.10 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 2wvz s GLY 61 CO 0.82 0.02 0.99 0.54 0.00 0.00 0.00 173.10 175.47 2wvz s LYS 62 N -5.36 4.34 -0.35 2.90 1.02 -1.26 -4.88 119.74 116.15 2wvz s LYS 62 Ca 0.58 1.36 -0.35 0.00 0.02 0.00 0.00 55.97 57.58 2wvz s LYS 62 Cb -0.11 -2.57 -0.15 0.00 -0.52 0.00 0.00 37.83 34.49 2wvz s LYS 62 CO 0.52 0.05 1.17 -0.12 -0.92 0.00 0.00 175.35 176.04 2wvz n MET 63 N 0.05 0.00 0.00 1.68 0.00 -1.26 -1.26 117.12 116.33 2wvz n MET 63 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.74 2wvz n MET 63 Cb 0.51 -1.11 0.00 0.00 0.00 0.00 0.00 33.22 32.61 2wvz n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wvz n GLY 64 N 2.87 1.98 3.73 -5.12 0.00 -1.26 -5.06 105.19 102.33 2wvz n GLY 64 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2wvz n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wvz s ASP 65 N -1.46 7.28 0.35 1.61 2.15 -0.39 -4.93 116.67 121.28 2wvz s ASP 65 Ca 0.00 1.54 0.12 0.00 0.43 0.00 0.00 52.55 54.63 2wvz s ASP 65 Cb 0.00 -2.51 0.91 0.00 -0.30 0.00 0.00 42.92 41.02 2wvz s ASP 65 CO 0.00 -0.11 1.78 1.23 -0.17 0.00 0.00 175.17 177.90 2wvz h GLY 66 N 6.18 1.53 -6.59 2.66 0.00 -1.90 -3.18 103.07 101.77 2wvz h GLY 66 Ca -0.42 -0.29 -0.74 0.00 0.00 0.00 0.00 47.33 45.88 2wvz h GLY 66 CO 0.73 -0.11 2.23 0.79 0.00 0.00 0.00 176.54 180.19 2wvz n TRP 67 N -4.71 3.47 0.34 5.60 8.01 -1.26 -4.47 117.44 124.41 2wvz n TRP 67 Ca 0.24 -2.91 0.14 0.00 -1.31 0.00 0.00 57.50 53.65 2wvz n TRP 67 Cb 0.70 -2.18 0.58 0.00 -2.01 0.00 0.00 31.31 28.41 2wvz n TRP 67 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2wvz h GLN 68 N 6.11 0.00 -2.91 -0.99 3.07 -1.91 -3.34 115.11 115.14 2wvz h GLN 68 Ca 0.43 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.97 2wvz h GLN 68 Cb 0.68 0.00 -0.31 0.00 0.08 0.00 0.00 27.48 27.93 2wvz h GLN 68 CO 1.63 0.00 -0.49 -0.47 0.09 0.00 0.00 178.83 179.59 2wvz s TYR 69 N -3.46 -0.40 -0.06 0.06 5.04 -1.26 -0.35 117.35 116.91 2wvz s TYR 69 Ca 0.02 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 55.59 2wvz s TYR 69 Cb 0.09 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.45 2wvz s TYR 69 CO 0.42 -0.30 -0.05 0.95 -1.34 0.00 0.00 175.55 175.22 2wvz s THR 70 N 1.86 0.68 0.61 4.34 -4.23 -1.26 -4.79 115.64 112.85 2wvz s THR 70 Ca -0.04 -0.17 0.28 0.00 -1.18 0.00 0.00 61.69 60.58 2wvz s THR 70 Cb -0.11 -0.70 0.35 0.00 1.34 0.00 0.00 72.50 73.37 2wvz s THR 70 CO -0.09 0.27 1.82 0.22 -0.54 0.00 0.00 174.62 176.30 2wvz h TYR 71 N 7.44 0.00 -0.00 3.99 5.03 -1.85 0.13 116.97 131.71 2wvz h TYR 71 Ca -0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.98 2wvz h TYR 71 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.43 2wvz h TYR 71 CO 0.49 0.00 -0.42 2.41 -1.32 0.00 0.00 178.16 179.32 2wvz n THR 72 N -3.42 0.00 -2.35 1.81 -1.04 -1.26 -4.91 114.28 103.11 2wvz n THR 72 Ca 0.06 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 2wvz n THR 72 Cb 0.67 0.20 -0.02 0.00 -1.82 0.00 0.00 70.33 69.36 2wvz n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wvz s ALA 73 N -2.92 2.84 -0.12 2.41 0.00 0.46 -4.97 121.76 119.45 2wvz s ALA 73 Ca 0.13 0.49 0.21 0.00 0.00 0.00 0.00 51.96 52.79 2wvz s ALA 73 Cb 0.18 -3.23 -0.20 0.00 0.00 0.00 0.00 23.12 19.87 2wvz s ALA 73 CO 0.66 -0.49 0.65 0.09 0.00 0.00 0.00 175.76 176.67 2wvz n ASN 74 N -1.40 0.39 -3.95 0.00 3.02 -1.26 -4.95 115.26 107.12 2wvz n ASN 74 Ca 0.09 0.16 -0.22 0.00 -0.03 0.00 0.00 54.58 54.58 2wvz n ASN 74 Cb 0.53 1.11 -0.16 0.00 -0.61 0.00 0.00 39.78 40.64 2wvz n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wvz s LYS 75 N -3.24 1.21 -0.20 3.52 1.02 -1.26 -0.74 119.74 120.05 2wvz s LYS 75 Ca -0.05 -0.23 -0.19 0.00 0.02 0.00 0.00 55.97 55.51 2wvz s LYS 75 Cb 0.11 -1.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.30 2wvz s LYS 75 CO 0.85 -0.04 0.56 0.42 -0.92 0.00 0.00 175.35 176.22 2wvz s ILE 76 N 0.84 5.07 -2.15 2.17 1.01 -0.83 -4.32 121.20 122.99 2wvz s ILE 76 Ca -0.12 1.04 0.19 0.00 0.00 0.00 0.00 60.65 61.76 2wvz s ILE 76 Cb -0.15 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.54 2wvz s ILE 76 CO 0.01 0.15 1.05 -2.11 0.00 0.00 0.00 174.94 174.04 2wvz n ARG 77 N 4.88 1.63 0.00 2.79 1.85 -0.02 -2.64 116.66 125.15 2wvz n ARG 77 Ca -0.03 -1.38 0.00 0.00 -1.00 0.00 0.00 57.85 55.44 2wvz n ARG 77 Cb 0.50 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 2wvz n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wvz n GLY 78 N 1.14 0.71 3.45 2.89 0.00 -1.22 -4.77 105.19 107.39 2wvz n GLY 78 Ca 0.10 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2wvz n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvz s PHE 79 N -2.00 2.97 -0.09 1.61 0.40 0.83 -0.43 117.98 121.28 2wvz s PHE 79 Ca 0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 2wvz s PHE 79 Cb 0.00 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.59 2wvz s PHE 79 CO 0.00 -0.14 -0.07 0.21 0.70 0.00 0.00 175.22 175.91 2wvz s LYS 80 N 0.53 1.38 0.06 0.44 2.20 -0.41 -0.47 119.74 123.47 2wvz s LYS 80 Ca -0.04 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.03 2wvz s LYS 80 Cb -0.15 -1.40 -0.07 0.00 -1.51 0.00 0.00 37.83 34.70 2wvz s LYS 80 CO 0.03 -0.19 1.51 -1.14 -0.36 0.00 0.00 175.35 175.20 2wvz s GLN 81 N 1.44 4.25 0.02 4.03 0.74 -0.30 -1.05 119.66 128.79 2wvz s GLN 81 Ca -0.01 2.16 0.01 0.00 0.05 0.00 0.00 55.36 57.57 2wvz s GLN 81 Cb -0.13 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 2wvz s GLN 81 CO -0.05 -0.62 -0.04 -0.08 -0.55 0.00 0.00 175.29 173.95 2wvz s THR 82 N 2.19 0.24 0.00 -0.34 -1.32 0.12 -3.42 115.64 113.11 2wvz s THR 82 Ca 0.68 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 2wvz s THR 82 Cb -0.37 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 2wvz s THR 82 CO 0.30 -0.32 0.33 1.41 -2.21 0.00 0.00 174.62 174.13 2wvz n HIS 83 N 1.95 0.00 -1.63 9.09 8.25 -1.25 -2.06 115.22 129.57 2wvz n HIS 83 Ca -0.20 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.76 2wvz n HIS 83 Cb 0.56 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 2wvz n HIS 83 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2wvz n GLN 84 N -0.12 1.61 0.05 -0.41 7.27 -1.26 -4.91 117.38 119.61 2wvz n GLN 84 Ca 0.00 0.58 -0.19 0.00 0.07 0.00 0.00 57.00 57.46 2wvz n GLN 84 Cb 0.05 -2.28 -0.14 0.00 2.41 0.00 0.00 30.24 30.27 2wvz n GLN 84 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2wvz h PRO 85 N 5.35 0.29 -3.54 3.69 0.13 -1.92 -3.49 132.00 132.52 2wvz h PRO 85 Ca -0.46 -0.50 -0.06 0.00 -0.87 0.00 0.00 66.00 64.10 2wvz h PRO 85 Cb 1.30 0.19 -0.12 0.00 0.13 0.00 0.00 31.00 32.49 2wvz h PRO 85 CO 0.83 1.17 -0.14 -1.54 -0.23 0.00 0.00 178.00 178.10 2wvz s SER 86 N -7.06 -0.13 0.45 1.44 1.04 -1.26 -4.62 113.70 103.56 2wvz s SER 86 Ca -0.13 -0.54 0.12 0.00 0.48 0.00 0.00 55.95 55.87 2wvz s SER 86 Cb 0.06 0.48 1.01 0.00 0.10 0.00 0.00 66.02 67.67 2wvz s SER 86 CO 0.84 -0.91 2.05 1.55 0.98 0.00 0.00 173.24 177.75 2wvz h PRO 87 N 2.41 0.21 0.02 4.02 0.13 -1.82 0.11 132.00 137.08 2wvz h PRO 87 Ca -0.32 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.54 2wvz h PRO 87 Cb 1.24 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2wvz h PRO 87 CO 0.45 0.21 -0.99 -1.49 -0.23 0.00 0.00 178.00 175.96 2wvz h TRP 88 N 0.22 0.95 -0.28 1.56 4.06 -1.96 -3.21 115.95 117.29 2wvz h TRP 88 Ca 0.05 -0.53 -0.16 0.00 2.06 0.00 0.00 58.89 60.31 2wvz h TRP 88 Cb 0.10 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2wvz h TRP 88 CO 0.00 1.37 -0.44 0.82 -3.56 0.00 0.00 178.44 176.63 2wvz h ILE 89 N 0.26 1.29 -0.35 1.49 1.08 -1.93 -3.50 117.51 115.86 2wvz h ILE 89 Ca -0.13 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 2wvz h ILE 89 Cb 1.66 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 2wvz h ILE 89 CO 0.19 0.53 0.00 -3.20 -0.69 0.00 0.00 178.15 174.98 2wvz n ASN 90 N -4.12 -1.04 -4.65 1.72 2.85 0.38 -4.84 115.26 105.56 2wvz n ASN 90 Ca -0.04 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.16 2wvz n ASN 90 Cb 0.57 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.49 2wvz n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wvz s ASP 91 N -4.00 4.04 0.15 1.20 -1.08 -1.26 -4.12 116.67 111.61 2wvz s ASP 91 Ca 0.00 -1.23 -0.24 0.00 -0.52 0.00 0.00 52.55 50.56 2wvz s ASP 91 Cb 0.00 -0.43 0.07 0.00 -1.46 0.00 0.00 42.92 41.10 2wvz s ASP 91 CO 0.00 -0.43 0.70 -0.72 0.52 0.00 0.00 175.17 175.24 2wvz s TYR 92 N -2.65 -0.41 -1.34 -5.34 1.13 -1.26 -1.31 117.35 106.16 2wvz s TYR 92 Ca 0.36 0.16 -0.09 0.00 -1.41 0.00 0.00 57.07 56.10 2wvz s TYR 92 Cb 0.07 0.59 0.01 0.00 -1.10 0.00 0.00 41.96 41.52 2wvz s TYR 92 CO 0.19 -0.86 1.17 0.41 -2.51 0.00 0.00 175.55 173.95 2wvz n GLY 93 N -0.38 -0.53 3.33 5.49 0.00 -1.22 -3.94 105.19 107.95 2wvz n GLY 93 Ca -0.12 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wvz n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wvz s GLN 94 N -6.28 3.41 0.10 1.61 -2.07 -1.26 -4.50 119.66 110.67 2wvz s GLN 94 Ca 0.57 -0.61 -0.03 0.00 -1.82 0.00 0.00 55.36 53.48 2wvz s GLN 94 Cb -0.25 -3.04 -0.03 0.00 -1.09 0.00 0.00 33.01 28.60 2wvz s GLN 94 CO 0.72 -0.18 0.06 -0.59 -1.32 0.00 0.00 175.29 173.98 2wvz s PHE 95 N 1.45 0.60 0.08 9.60 -0.71 -1.22 -4.54 117.98 123.24 2wvz s PHE 95 Ca 0.05 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 54.90 2wvz s PHE 95 Cb -0.14 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2wvz s PHE 95 CO -0.02 -0.49 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.80 2wvz s SER 96 N -2.97 0.73 0.01 1.98 1.04 0.05 -1.15 113.70 113.40 2wvz s SER 96 Ca 0.14 -1.03 0.05 0.00 0.48 0.00 0.00 55.95 55.59 2wvz s SER 96 Cb 0.07 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 2wvz s SER 96 CO -0.05 -0.57 -0.15 -0.51 0.98 0.00 0.00 173.24 172.95 2wvz s ILE 97 N -3.82 1.15 -0.08 -1.02 2.07 0.38 0.78 121.20 120.67 2wvz s ILE 97 Ca 0.11 -0.81 -0.03 0.00 -1.41 0.00 0.00 60.65 58.50 2wvz s ILE 97 Cb 0.07 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.70 2wvz s ILE 97 CO -0.06 0.18 0.16 -0.32 -1.91 0.00 0.00 174.94 172.99 2wvz s MET 98 N -0.73 0.08 0.29 3.50 -2.45 0.37 -0.12 119.30 120.25 2wvz s MET 98 Ca 0.04 0.47 -0.13 0.00 -1.25 0.00 0.00 55.69 54.82 2wvz s MET 98 Cb -0.07 -0.20 -0.08 0.00 1.25 0.00 0.00 34.83 35.73 2wvz s MET 98 CO 0.00 -0.22 0.67 -1.25 1.05 0.00 0.00 175.02 175.28 2wvz s PRO 99 N 1.64 3.94 0.26 4.11 0.04 -1.26 0.94 135.00 144.67 2wvz s PRO 99 Ca -0.04 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 61.44 2wvz s PRO 99 Cb -0.12 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 2wvz s PRO 99 CO -0.06 0.21 0.46 0.96 0.04 0.00 0.00 177.00 178.61 2wvz s ILE 100 N -1.92 0.00 0.21 0.56 -4.36 -0.68 -4.93 121.20 110.07 2wvz s ILE 100 Ca 0.52 -1.48 0.03 0.00 -0.26 0.00 0.00 60.65 59.47 2wvz s ILE 100 Cb -0.11 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 2wvz s ILE 100 CO 0.19 0.00 -0.02 0.68 0.24 0.00 0.00 174.94 176.03 2wvz s VAL 101 N -3.82 1.01 0.00 8.37 -7.23 -1.26 -1.77 120.40 115.71 2wvz s VAL 101 Ca 0.25 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2wvz s VAL 101 Cb -0.00 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2wvz s VAL 101 CO 0.11 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2wvz n GLY 102 N -0.36 0.04 3.73 2.32 0.00 -0.90 -4.90 105.19 105.12 2wvz n GLY 102 Ca -0.06 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2wvz n GLY 102 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wvz n GLN 103 N 2.49 2.42 -1.63 1.61 1.13 -1.26 -4.87 117.38 117.27 2wvz n GLN 103 Ca 0.00 0.85 -0.43 0.00 -1.94 0.00 0.00 57.00 55.49 2wvz n GLN 103 Cb 0.00 -2.54 -0.03 0.00 0.11 0.00 0.00 30.24 27.78 2wvz n GLN 103 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2wvz s PRO 104 N -1.45 3.42 -0.01 -1.09 0.01 -1.26 -4.98 135.00 129.63 2wvz s PRO 104 Ca 0.58 2.18 0.01 0.00 0.01 0.00 0.00 61.00 63.79 2wvz s PRO 104 Cb -0.53 -4.31 0.01 0.00 0.01 0.00 0.00 34.50 29.67 2wvz s PRO 104 CO 0.58 -1.78 -0.04 0.14 0.01 0.00 0.00 177.00 175.92 2wvz s VAL 105 N 7.20 0.34 -0.17 3.83 -7.23 -1.26 -5.06 120.40 118.05 2wvz s VAL 105 Ca 0.97 -0.13 0.07 0.00 -1.81 0.00 0.00 61.98 61.08 2wvz s VAL 105 Cb -0.36 -0.33 -0.15 0.00 0.56 0.00 0.00 36.38 36.10 2wvz s VAL 105 CO 0.37 0.12 -0.07 0.33 -0.31 0.00 0.00 175.10 175.55 2wvz n PHE 106 N 3.32 0.00 -1.48 2.82 7.35 -1.26 -4.67 117.46 123.53 2wvz n PHE 106 Ca -0.17 0.00 -0.55 0.00 -0.76 0.00 0.00 57.45 55.97 2wvz n PHE 106 Cb 0.56 -0.75 -0.06 0.00 0.35 0.00 0.00 39.48 39.58 2wvz n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wvz n ASP 107 N -2.83 -0.24 0.06 -2.13 -0.08 -1.26 -4.84 116.55 105.23 2wvz n ASP 107 Ca -0.30 1.15 -0.00 0.00 -1.51 0.00 0.00 54.79 54.13 2wvz n ASP 107 Cb 0.93 -0.95 0.30 0.00 2.34 0.00 0.00 41.12 43.74 2wvz n ASP 107 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2wvz h GLU 108 N 2.49 0.36 -0.18 -0.67 4.11 -1.93 -2.45 114.58 116.30 2wvz h GLU 108 Ca -0.44 -0.10 -0.07 0.00 0.07 0.00 0.00 59.36 58.82 2wvz h GLU 108 Cb 1.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2wvz h GLU 108 CO 0.63 0.52 -0.17 0.93 0.07 0.00 0.00 179.01 181.00 2wvz h GLU 109 N 0.33 0.43 0.00 1.06 5.08 -1.95 -3.20 114.58 116.33 2wvz h GLU 109 Ca 0.06 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wvz h GLU 109 Cb 0.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wvz h GLU 109 CO 0.03 0.79 0.00 0.87 -1.00 0.00 0.00 179.01 179.70 2wvz h LYS 110 N 0.09 0.00 0.00 2.33 1.57 -1.88 -2.50 116.57 116.18 2wvz h LYS 110 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wvz h LYS 110 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2wvz h LYS 110 CO 0.04 0.00 -0.21 0.07 -0.57 0.00 0.00 179.45 178.78 2wvz h ARG 111 N 0.00 0.00 -7.11 3.15 0.11 -1.54 -3.48 114.38 105.52 2wvz h ARG 111 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 2wvz h ARG 111 Cb 0.82 0.00 0.15 0.00 1.11 0.00 0.00 29.97 32.05 2wvz h ARG 111 CO 0.00 0.00 0.50 0.00 0.10 0.00 0.00 179.97 180.57 2wvz s ALA 112 N -3.20 2.42 -0.00 0.08 0.00 -0.94 -4.95 121.76 115.17 2wvz s ALA 112 Ca 0.07 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2wvz s ALA 112 Cb 0.09 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2wvz s ALA 112 CO 0.67 -1.49 -0.04 0.45 0.00 0.00 0.00 175.76 175.35 2wvz s SER 113 N -1.45 0.51 0.80 0.00 0.15 -1.08 -4.97 113.70 107.65 2wvz s SER 113 Ca 0.81 -0.08 -0.13 0.00 0.70 0.00 0.00 55.95 57.25 2wvz s SER 113 Cb -0.36 -0.07 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 2wvz s SER 113 CO 0.38 0.05 1.20 0.26 1.20 0.00 0.00 173.24 176.32 2wvz s TRP 114 N -0.04 1.87 0.24 3.44 0.52 -1.26 -1.97 118.94 121.74 2wvz s TRP 114 Ca 0.01 1.66 -0.22 0.00 0.02 0.00 0.00 56.10 57.57 2wvz s TRP 114 Cb -0.02 -3.46 0.04 0.00 -1.15 0.00 0.00 33.47 28.87 2wvz s TRP 114 CO -0.00 -2.76 0.69 -0.59 0.02 0.00 0.00 176.95 174.31 2wvz s PHE 115 N -2.17 -0.28 0.07 -1.98 -0.71 0.08 -1.91 117.98 111.07 2wvz s PHE 115 Ca 0.73 -0.10 0.02 0.00 -1.04 0.00 0.00 56.93 56.53 2wvz s PHE 115 Cb -0.28 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2wvz s PHE 115 CO 0.50 -1.12 -0.07 0.00 -1.34 0.00 0.00 175.22 173.19 2wvz s ALA 116 N -3.85 0.75 -0.33 1.99 0.00 -1.26 -4.77 121.76 114.28 2wvz s ALA 116 Ca 0.08 -1.05 0.26 0.00 0.00 0.00 0.00 51.96 51.25 2wvz s ALA 116 Cb -0.05 0.11 1.09 0.00 0.00 0.00 0.00 23.12 24.27 2wvz s ALA 116 CO 0.01 -0.14 1.78 0.45 0.00 0.00 0.00 175.76 177.87 2wvz h HIS 117 N 3.73 0.00 0.00 0.00 3.86 -1.95 -2.23 115.15 118.56 2wvz h HIS 117 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2wvz h HIS 117 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2wvz h HIS 117 CO 0.62 0.00 -0.11 1.63 0.86 0.00 0.00 177.93 180.92 2wvz n LYS 118 N -2.44 0.13 -0.62 2.45 5.02 -1.26 -2.61 118.16 118.82 2wvz n LYS 118 Ca 0.02 0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 2wvz n LYS 118 Cb 0.24 -1.63 0.21 0.00 -0.02 0.00 0.00 35.03 33.83 2wvz n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvz n GLY 119 N 1.41 5.09 3.17 0.72 0.00 -0.85 -4.99 105.19 109.75 2wvz n GLY 119 Ca 0.06 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 2wvz n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvz s GLU 120 N -3.22 1.92 -0.14 1.61 2.12 -1.07 -2.08 118.70 117.83 2wvz s GLU 120 Ca 0.39 -0.69 -0.00 0.00 0.36 0.00 0.00 54.97 55.03 2wvz s GLU 120 Cb 0.37 -1.68 0.03 0.00 0.26 0.00 0.00 34.13 33.11 2wvz s GLU 120 CO -0.05 0.30 -0.08 0.08 -0.54 0.00 0.00 175.26 174.96 2wvz s VAL 121 N -0.08 1.22 -0.12 3.70 1.01 0.97 -4.93 120.40 122.18 2wvz s VAL 121 Ca -0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2wvz s VAL 121 Cb -0.11 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2wvz s VAL 121 CO 0.02 0.29 -0.21 0.00 0.00 0.00 0.00 175.10 175.20 2wvz s ALA 122 N 1.61 2.09 0.08 5.51 0.00 -1.26 -0.59 121.76 129.19 2wvz s ALA 122 Ca 0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 2wvz s ALA 122 Cb -0.14 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 2wvz s ALA 122 CO -0.09 0.09 0.06 0.95 0.00 0.00 0.00 175.76 176.78 2wvz s THR 123 N 0.65 0.17 0.37 0.00 -4.23 0.02 -4.55 115.64 108.07 2wvz s THR 123 Ca -0.12 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 2wvz s THR 123 Cb -0.16 -1.58 0.28 0.00 1.34 0.00 0.00 72.50 72.37 2wvz s THR 123 CO 0.02 -0.77 2.00 -0.65 -0.54 0.00 0.00 174.62 174.69 2wvz h PRO 124 N 2.96 0.74 -0.01 3.99 0.11 -1.89 -2.73 132.00 135.17 2wvz h PRO 124 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wvz h PRO 124 Cb 1.17 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wvz h PRO 124 CO 0.61 0.49 -0.40 2.48 -0.21 0.00 0.00 178.00 180.97 2wvz n TYR 125 N -4.46 0.00 -3.66 0.65 4.11 -1.26 -1.79 117.16 110.75 2wvz n TYR 125 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.86 2wvz n TYR 125 Cb 0.11 -0.09 -0.08 0.00 -0.00 0.00 0.00 39.34 39.28 2wvz n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2wvz s TYR 126 N -2.57 -0.82 -0.01 -3.48 5.04 -1.03 -4.12 117.35 110.37 2wvz s TYR 126 Ca 0.20 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.64 2wvz s TYR 126 Cb 0.19 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.88 2wvz s TYR 126 CO 0.58 -0.41 -0.04 -0.47 -1.34 0.00 0.00 175.55 173.87 2wvz s TYR 127 N 0.95 0.46 0.01 4.97 5.04 -0.49 -0.80 117.35 127.49 2wvz s TYR 127 Ca -0.05 -0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.51 2wvz s TYR 127 Cb -0.05 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.90 2wvz s TYR 127 CO -0.08 -0.05 -0.05 0.21 -1.34 0.00 0.00 175.55 174.23 2wvz s LYS 128 N 0.20 0.41 -0.02 4.97 2.20 0.24 -1.94 119.74 125.79 2wvz s LYS 128 Ca -0.02 -0.30 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2wvz s LYS 128 Cb -0.05 -0.34 0.01 0.00 -1.51 0.00 0.00 37.83 35.93 2wvz s LYS 128 CO -0.00 0.09 0.15 0.54 -0.36 0.00 0.00 175.35 175.76 2wvz s VAL 129 N -0.41 0.05 -0.38 4.02 0.11 -0.87 -0.02 120.40 122.90 2wvz s VAL 129 Ca -0.01 -0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 58.42 2wvz s VAL 129 Cb -0.04 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2wvz s VAL 129 CO -0.00 -0.23 0.58 -0.47 -3.33 0.00 0.00 175.10 171.64 2wvz s TYR 130 N -0.80 3.14 -0.97 1.54 5.04 -0.88 -1.11 117.35 123.30 2wvz s TYR 130 Ca -0.09 0.12 -0.22 0.00 -2.44 0.00 0.00 57.07 54.44 2wvz s TYR 130 Cb -0.05 -3.10 0.07 0.00 0.35 0.00 0.00 41.96 39.23 2wvz s TYR 130 CO 0.01 -0.67 1.34 -0.51 -1.34 0.00 0.00 175.55 174.39 2wvz s LEU 131 N 2.58 3.92 0.28 6.97 1.43 0.10 -4.63 118.68 129.33 2wvz s LEU 131 Ca 0.21 -1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 51.73 2wvz s LEU 131 Cb -0.15 -2.52 0.57 0.00 0.03 0.00 0.00 46.19 44.13 2wvz s LEU 131 CO 0.15 -1.41 1.60 0.00 0.23 0.00 0.00 176.35 176.93 2wvz h ALA 132 N 9.55 0.94 0.00 4.21 0.00 -1.67 -1.03 119.26 131.26 2wvz h ALA 132 Ca 0.15 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2wvz h ALA 132 Cb 1.02 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2wvz h ALA 132 CO 1.33 -0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.49 2wvz n GLU 133 N -5.43 0.50 0.00 0.00 1.02 -1.26 -2.56 120.64 112.91 2wvz n GLU 133 Ca 0.18 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2wvz n GLU 133 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2wvz n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wvz n HIS 134 N -1.19 0.00 -4.14 -0.32 8.25 -0.45 -4.90 115.22 112.47 2wvz n HIS 134 Ca 0.14 -0.15 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 2wvz n HIS 134 Cb 0.16 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 2wvz n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wvz n ASP 135 N -0.15 -0.00 -4.09 0.41 2.03 -0.82 -4.69 116.55 109.23 2wvz n ASP 135 Ca 0.00 -1.13 -0.29 0.00 0.52 0.00 0.00 54.79 53.89 2wvz n ASP 135 Cb 0.17 -2.39 -0.17 0.00 -0.72 0.00 0.00 41.12 38.02 2wvz n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wvz s ILE 136 N -4.08 1.62 0.07 5.18 1.01 -1.17 -3.96 121.20 119.88 2wvz s ILE 136 Ca 0.07 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 2wvz s ILE 136 Cb -0.04 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 2wvz s ILE 136 CO 0.94 0.46 0.79 -0.69 0.00 0.00 0.00 174.94 176.44 2wvz s VAL 137 N 0.86 4.65 -0.11 2.92 1.01 -1.22 0.02 120.40 128.53 2wvz s VAL 137 Ca -0.09 1.68 0.03 0.00 0.00 0.00 0.00 61.98 63.60 2wvz s VAL 137 Cb -0.15 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2wvz s VAL 137 CO -0.00 0.38 -0.20 -0.89 0.00 0.00 0.00 175.10 174.39 2wvz s THR 138 N -0.21 2.39 0.20 3.92 2.01 -0.27 -1.77 115.64 121.91 2wvz s THR 138 Ca 0.39 -0.90 0.11 0.00 0.31 0.00 0.00 61.69 61.59 2wvz s THR 138 Cb -0.21 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2wvz s THR 138 CO 0.24 0.55 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.90 2wvz s GLU 139 N 0.33 1.47 -0.29 4.92 2.02 -0.79 -2.04 118.70 124.32 2wvz s GLU 139 Ca -0.16 -1.55 -0.16 0.00 0.02 0.00 0.00 54.97 53.13 2wvz s GLU 139 Cb -0.17 -1.64 0.11 0.00 0.10 0.00 0.00 34.13 32.53 2wvz s GLU 139 CO 0.08 0.34 0.82 0.00 0.02 0.00 0.00 175.26 176.51 2wvz s MET 140 N -2.93 0.55 -0.16 1.61 0.23 -0.82 -1.97 119.30 115.81 2wvz s MET 140 Ca 0.21 0.97 -0.03 0.00 -1.03 0.00 0.00 55.69 55.82 2wvz s MET 140 Cb -0.06 0.14 0.05 0.00 -1.53 0.00 0.00 34.83 33.43 2wvz s MET 140 CO 0.10 -0.12 0.03 0.95 -2.03 0.00 0.00 175.02 173.95 2wvz s THR 141 N 1.56 0.42 0.43 3.16 -4.23 -0.96 -1.39 115.64 114.63 2wvz s THR 141 Ca -0.09 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2wvz s THR 141 Cb -0.05 -0.87 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 2wvz s THR 141 CO -0.18 -0.12 0.64 -2.16 -0.54 0.00 0.00 174.62 172.27 2wvz s PRO 142 N 1.91 3.06 0.00 3.99 0.04 -1.26 -2.30 135.00 140.45 2wvz s PRO 142 Ca 0.01 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.46 2wvz s PRO 142 Cb -0.16 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2wvz s PRO 142 CO -0.07 -0.22 0.00 0.25 0.04 0.00 0.00 177.00 176.99 2wvz n THR 143 N -2.01 0.00 -0.18 1.26 -2.24 0.73 -4.69 114.28 107.14 2wvz n THR 143 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2wvz n THR 143 Cb 0.58 -0.38 0.11 0.00 -2.10 0.00 0.00 70.33 68.54 2wvz n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wvz h GLU 144 N 0.00 0.96 0.00 -0.78 5.08 -1.93 -3.35 114.58 114.56 2wvz h GLU 144 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2wvz h GLU 144 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2wvz h GLU 144 CO 0.00 0.89 0.00 0.54 -1.00 0.00 0.00 179.01 179.44 2wvz n ARG 145 N -4.23 4.31 -4.59 2.33 1.74 -1.26 -1.69 116.66 113.26 2wvz n ARG 145 Ca 0.04 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.82 2wvz n ARG 145 Cb 0.27 -0.38 -0.09 0.00 -1.02 0.00 0.00 32.46 31.25 2wvz n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wvz s ALA 146 N -0.62 3.20 -0.03 7.54 0.00 -1.26 -3.06 121.76 127.52 2wvz s ALA 146 Ca 0.00 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 2wvz s ALA 146 Cb 0.00 0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.61 2wvz s ALA 146 CO 0.00 -0.20 0.57 0.54 0.00 0.00 0.00 175.76 176.67 2wvz s VAL 147 N -3.06 0.02 -0.19 0.00 0.11 0.33 -0.19 120.40 117.41 2wvz s VAL 147 Ca 0.23 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.11 2wvz s VAL 147 Cb 0.05 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2wvz s VAL 147 CO 0.12 -0.08 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.52 2wvz s LEU 148 N -1.27 2.82 0.18 2.54 2.96 -0.97 -0.54 118.68 124.40 2wvz s LEU 148 Ca -0.11 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2wvz s LEU 148 Cb -0.01 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2wvz s LEU 148 CO 0.08 0.03 0.33 -0.36 -1.32 0.00 0.00 176.35 175.11 2wvz s PHE 149 N 1.14 3.48 -0.24 5.38 0.40 -0.44 -2.28 117.98 125.42 2wvz s PHE 149 Ca 0.01 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.47 2wvz s PHE 149 Cb -0.14 -1.70 0.11 0.00 0.51 0.00 0.00 43.02 41.79 2wvz s PHE 149 CO -0.02 0.46 0.24 0.50 0.70 0.00 0.00 175.22 177.11 2wvz s ARG 150 N -3.40 0.24 -0.09 0.44 3.52 -0.83 -1.47 118.95 117.37 2wvz s ARG 150 Ca 0.35 0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.84 2wvz s ARG 150 Cb -0.11 -1.01 -0.05 0.00 -1.56 0.00 0.00 34.95 32.23 2wvz s ARG 150 CO 0.29 -0.80 0.47 -0.06 -0.81 0.00 0.00 175.30 174.39 2wvz s PHE 151 N 2.33 3.57 -0.70 5.12 0.40 -0.34 -1.88 117.98 126.48 2wvz s PHE 151 Ca 0.08 0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 57.28 2wvz s PHE 151 Cb -0.15 -2.50 0.18 0.00 0.51 0.00 0.00 43.02 41.06 2wvz s PHE 151 CO -0.20 0.28 0.56 0.99 0.70 0.00 0.00 175.22 177.54 2wvz s THR 152 N 0.22 4.37 0.67 0.64 2.01 -0.73 -0.35 115.64 122.48 2wvz s THR 152 Ca 0.26 -2.84 -0.11 0.00 0.31 0.00 0.00 61.69 59.30 2wvz s THR 152 Cb -0.16 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 2wvz s THR 152 CO 0.11 -0.94 1.06 -0.36 -0.69 0.00 0.00 174.62 173.80 2wvz s PHE 153 N -0.05 3.15 -0.07 4.92 0.08 -0.46 -3.45 117.98 122.10 2wvz s PHE 153 Ca 0.18 1.42 -0.11 0.00 0.12 0.00 0.00 56.93 58.54 2wvz s PHE 153 Cb -0.17 -2.88 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 2wvz s PHE 153 CO -0.05 -1.15 0.27 -1.25 -0.10 0.00 0.00 175.22 172.93 2wvz s PRO 154 N -4.92 3.70 -0.34 0.24 0.04 -1.25 -0.16 135.00 132.31 2wvz s PRO 154 Ca 0.58 0.13 -0.44 0.00 0.04 0.00 0.00 61.00 61.32 2wvz s PRO 154 Cb -0.14 -3.22 -0.19 0.00 0.04 0.00 0.00 34.50 30.99 2wvz s PRO 154 CO 0.52 0.71 1.50 -1.91 0.04 0.00 0.00 177.00 177.87 2wvz n GLU 155 N 1.99 0.23 -3.61 4.56 2.13 -1.20 -4.65 120.64 120.09 2wvz n GLU 155 Ca -0.17 0.08 -0.09 0.00 0.66 0.00 0.00 57.16 57.65 2wvz n GLU 155 Cb 0.54 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.57 2wvz n GLU 155 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2wvz s ASN 156 N 2.36 -0.34 0.35 4.31 3.84 0.11 -4.80 114.94 120.77 2wvz s ASN 156 Ca 1.00 0.49 0.18 0.00 0.21 0.00 0.00 52.86 54.73 2wvz s ASN 156 Cb -1.36 0.44 0.57 0.00 -0.55 0.00 0.00 41.25 40.35 2wvz s ASN 156 CO 0.73 -0.23 1.68 0.44 -2.79 0.00 0.00 177.10 176.93 2wvz h ASP 157 N 3.06 0.00 -2.22 -4.21 3.32 -1.86 -1.63 116.42 112.89 2wvz h ASP 157 Ca -0.21 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.27 2wvz h ASP 157 Cb 1.17 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.31 2wvz h ASP 157 CO 0.23 0.42 -0.74 1.41 -1.72 0.00 0.00 179.24 178.84 2wvz n HIS 158 N -3.51 3.22 -3.11 4.55 8.25 -1.26 -4.25 115.22 119.11 2wvz n HIS 158 Ca -0.00 -3.98 -0.40 0.00 -0.26 0.00 0.00 57.72 53.08 2wvz n HIS 158 Cb 0.55 -0.48 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 2wvz n HIS 158 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wvz s SER 159 N -3.09 6.69 0.43 0.41 0.01 -1.06 -2.12 113.70 114.97 2wvz s SER 159 Ca 0.46 0.84 0.03 0.00 1.31 0.00 0.00 55.95 58.59 2wvz s SER 159 Cb 0.27 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 2wvz s SER 159 CO -0.11 -0.28 0.10 -0.31 0.41 0.00 0.00 173.24 173.05 2wvz s TYR 160 N 1.93 1.83 -0.03 2.43 1.51 -0.73 -0.25 117.35 124.03 2wvz s TYR 160 Ca 0.29 -1.18 -0.00 0.00 -1.01 0.00 0.00 57.07 55.16 2wvz s TYR 160 Cb -0.16 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2wvz s TYR 160 CO 0.10 -0.15 0.03 0.08 -1.11 0.00 0.00 175.55 174.50 2wvz s VAL 161 N -3.13 0.04 -0.05 0.71 1.01 0.12 -1.69 120.40 117.41 2wvz s VAL 161 Ca 0.21 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 2wvz s VAL 161 Cb 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 2wvz s VAL 161 CO 0.12 0.15 0.10 -0.69 0.00 0.00 0.00 175.10 174.78 2wvz s VAL 162 N 1.42 5.00 -0.15 2.92 1.01 0.27 -1.94 120.40 128.92 2wvz s VAL 162 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2wvz s VAL 162 Cb -0.13 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2wvz s VAL 162 CO -0.03 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.81 2wvz s VAL 163 N -1.12 0.93 -0.23 2.92 1.01 0.41 -0.48 120.40 123.85 2wvz s VAL 163 Ca 0.20 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2wvz s VAL 163 Cb -0.12 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2wvz s VAL 163 CO 0.10 0.16 -0.09 -0.62 0.00 0.00 0.00 175.10 174.64 2wvz s ASP 164 N 1.72 4.03 0.00 3.32 -1.08 0.23 -1.43 116.67 123.46 2wvz s ASP 164 Ca 0.02 -0.74 0.24 0.00 -0.52 0.00 0.00 52.55 51.55 2wvz s ASP 164 Cb -0.15 -1.63 0.66 0.00 -1.46 0.00 0.00 42.92 40.35 2wvz s ASP 164 CO -0.07 -0.08 1.52 0.00 0.52 0.00 0.00 175.17 177.06 2wvz n ALA 165 N 4.67 2.50 -1.13 3.66 0.00 -0.79 -0.77 120.51 128.65 2wvz n ALA 165 Ca -0.18 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 52.79 2wvz n ALA 165 Cb 0.48 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2wvz n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wvz n PHE 166 N 0.70 -2.88 -2.30 0.00 3.01 -1.26 -4.54 117.46 110.19 2wvz n PHE 166 Ca 0.17 1.47 0.00 0.00 1.01 0.00 0.00 57.45 60.10 2wvz n PHE 166 Cb 0.44 -2.62 0.00 0.00 -0.01 0.00 0.00 39.48 37.29 2wvz n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2wvz n ASP 167 N -3.69 0.11 -0.23 4.37 5.75 -1.26 -3.64 116.55 117.96 2wvz n ASP 167 Ca -0.01 -0.25 -0.03 0.00 -0.01 0.00 0.00 54.79 54.49 2wvz n ASP 167 Cb 0.52 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.60 2wvz n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wvz n LYS 168 N -0.24 -0.88 0.00 0.11 4.76 0.79 -3.85 118.16 118.86 2wvz n LYS 168 Ca 0.00 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2wvz n LYS 168 Cb 0.00 -4.20 0.00 0.00 -1.84 0.00 0.00 35.03 28.99 2wvz n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wvz n GLY 169 N -1.29 1.83 1.65 0.72 0.00 -0.07 -4.82 105.19 103.21 2wvz n GLY 169 Ca -0.03 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2wvz n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wvz n SER 170 N 0.00 1.37 -3.64 1.61 3.41 -0.24 -2.70 113.62 113.43 2wvz n SER 170 Ca 0.00 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.45 2wvz n SER 170 Cb 0.00 0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2wvz n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2wvz s TYR 171 N -2.21 -0.91 -0.06 7.33 5.04 -0.76 -2.96 117.35 122.82 2wvz s TYR 171 Ca 0.08 2.00 -0.05 0.00 -2.44 0.00 0.00 57.07 56.66 2wvz s TYR 171 Cb 0.00 0.45 0.02 0.00 0.35 0.00 0.00 41.96 42.78 2wvz s TYR 171 CO 0.06 -0.45 0.16 -1.50 -1.34 0.00 0.00 175.55 172.49 2wvz s ILE 172 N 0.98 -0.00 -0.03 3.14 1.10 -0.71 -0.55 121.20 125.12 2wvz s ILE 172 Ca -0.05 0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.10 2wvz s ILE 172 Cb -0.05 -0.24 0.02 0.00 0.15 0.00 0.00 42.46 42.35 2wvz s ILE 172 CO -0.09 0.01 0.06 -0.75 -2.11 0.00 0.00 174.94 172.05 2wvz s LYS 173 N 0.18 0.02 -0.18 3.50 2.20 0.45 -0.60 119.74 125.30 2wvz s LYS 173 Ca -0.01 0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.70 2wvz s LYS 173 Cb -0.02 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 2wvz s LYS 173 CO -0.00 -0.11 0.08 0.42 -0.36 0.00 0.00 175.35 175.38 2wvz s ILE 174 N 0.73 4.99 -0.53 5.43 1.01 0.12 -1.27 121.20 131.69 2wvz s ILE 174 Ca -0.06 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2wvz s ILE 174 Cb -0.08 -3.25 0.21 0.00 0.01 0.00 0.00 42.46 39.35 2wvz s ILE 174 CO -0.03 0.46 0.53 -0.38 0.00 0.00 0.00 174.94 175.52 2wvz n ILE 175 N 3.47 0.44 -0.32 2.92 5.41 0.30 -4.87 119.36 126.71 2wvz n ILE 175 Ca -0.16 -4.36 0.20 0.00 1.00 0.00 0.00 62.75 59.43 2wvz n ILE 175 Cb 0.52 -1.97 0.40 0.00 -0.71 0.00 0.00 39.64 37.88 2wvz n ILE 175 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2wvz h PRO 176 N 4.73 0.15 -0.80 0.38 0.13 -1.95 -2.19 132.00 132.44 2wvz h PRO 176 Ca 0.17 -0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.47 2wvz h PRO 176 Cb 0.80 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 2wvz h PRO 176 CO 0.59 0.10 0.54 0.93 -0.23 0.00 0.00 178.00 179.93 2wvz h GLU 177 N 0.15 0.32 0.00 0.86 3.07 -1.94 -2.35 114.58 114.69 2wvz h GLU 177 Ca 0.67 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 2wvz h GLU 177 Cb 1.52 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 2wvz h GLU 177 CO -0.72 0.21 -0.08 -0.85 -1.40 0.00 0.00 179.01 176.17 2wvz n GLU 178 N -4.46 1.21 -2.88 2.33 0.28 -0.85 -5.01 120.64 111.26 2wvz n GLU 178 Ca 0.16 -2.16 -0.11 0.00 -0.16 0.00 0.00 57.16 54.89 2wvz n GLU 178 Cb 0.64 -1.26 0.06 0.00 1.43 0.00 0.00 31.44 32.30 2wvz n GLU 178 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2wvz n ASN 179 N -1.08 -2.62 -3.90 -1.84 3.02 -0.89 -4.79 115.26 103.17 2wvz n ASN 179 Ca 0.11 -0.42 -0.16 0.00 -0.03 0.00 0.00 54.58 54.09 2wvz n ASN 179 Cb 0.61 -3.54 -0.15 0.00 -0.61 0.00 0.00 39.78 36.09 2wvz n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wvz s LYS 180 N -4.70 0.37 -0.08 3.52 2.20 -1.04 -1.95 119.74 118.07 2wvz s LYS 180 Ca 0.06 -0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.64 2wvz s LYS 180 Cb -0.01 -0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 35.88 2wvz s LYS 180 CO 0.48 0.00 -0.23 0.42 -0.36 0.00 0.00 175.35 175.66 2wvz s ILE 181 N 0.36 2.22 0.31 5.43 1.01 -0.99 0.11 121.20 129.64 2wvz s ILE 181 Ca -0.04 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.68 2wvz s ILE 181 Cb -0.07 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 2wvz s ILE 181 CO -0.01 0.56 0.01 0.27 0.00 0.00 0.00 174.94 175.77 2wvz s ILE 182 N 0.04 1.42 0.00 2.92 -4.36 -0.39 -0.78 121.20 120.05 2wvz s ILE 182 Ca -0.09 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 2wvz s ILE 182 Cb -0.15 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2wvz s ILE 182 CO 0.06 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.71 2wvz n GLY 183 N -0.65 0.16 3.06 6.27 0.00 -1.02 -0.41 105.19 112.61 2wvz n GLY 183 Ca -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 2wvz n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvz s TYR 184 N -2.00 0.12 0.07 1.61 -0.85 0.28 -0.28 117.35 116.30 2wvz s TYR 184 Ca 0.00 -0.28 0.07 0.00 -0.52 0.00 0.00 57.07 56.34 2wvz s TYR 184 Cb 0.00 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 2wvz s TYR 184 CO 0.00 -0.26 -0.13 -0.08 -1.52 0.00 0.00 175.55 173.56 2wvz s THR 185 N -1.43 3.16 0.00 -3.49 -1.32 -0.27 -1.82 115.64 110.47 2wvz s THR 185 Ca -0.15 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 2wvz s THR 185 Cb -0.08 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 2wvz s THR 185 CO 0.01 0.22 0.19 0.35 -2.21 0.00 0.00 174.62 173.18 2wvz n THR 186 N 1.11 0.00 -1.68 5.08 -2.24 -1.10 -1.42 114.28 114.02 2wvz n THR 186 Ca -0.15 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.72 2wvz n THR 186 Cb 0.52 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 2wvz n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wvz n ARG 187 N -0.59 2.78 -4.07 -0.78 0.63 -1.25 -4.81 116.66 108.56 2wvz n ARG 187 Ca 0.00 1.01 -0.09 0.00 -0.92 0.00 0.00 57.85 57.85 2wvz n ARG 187 Cb 0.00 -2.92 -0.09 0.00 0.45 0.00 0.00 32.46 29.91 2wvz n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wvz s ASN 188 N 3.07 0.27 -0.19 6.15 4.22 -1.26 -3.41 114.94 123.79 2wvz s ASN 188 Ca 0.84 -1.05 0.15 0.00 -2.14 0.00 0.00 52.86 50.66 2wvz s ASN 188 Cb -0.48 0.31 0.70 0.00 1.28 0.00 0.00 41.25 43.06 2wvz s ASN 188 CO 0.39 -0.74 1.62 -1.20 -2.04 0.00 0.00 177.10 175.13 2wvz n SER 189 N -0.08 4.94 0.00 3.54 7.64 -0.43 -4.95 113.62 124.29 2wvz n SER 189 Ca -0.08 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2wvz n SER 189 Cb 0.63 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2wvz n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wvz n GLY 190 N 0.41 1.53 2.30 0.23 0.00 -1.26 -5.03 105.19 103.37 2wvz n GLY 190 Ca 0.25 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2wvz n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvz n GLY 191 N -0.02 -0.06 3.42 -0.02 0.00 -1.26 -4.36 105.19 102.89 2wvz n GLY 191 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2wvz n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wvz s VAL 192 N -2.69 2.22 0.47 1.61 -7.23 -1.26 -0.31 120.40 113.21 2wvz s VAL 192 Ca 0.06 -2.27 -0.19 0.00 -1.81 0.00 0.00 61.98 57.77 2wvz s VAL 192 Cb -0.03 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 2wvz s VAL 192 CO 0.08 -0.40 0.98 -2.84 -0.31 0.00 0.00 175.10 172.60 2wvz s PRO 193 N -3.37 4.05 0.41 4.82 0.02 -1.25 -4.98 135.00 134.69 2wvz s PRO 193 Ca 0.26 1.11 0.17 0.00 0.02 0.00 0.00 61.00 62.55 2wvz s PRO 193 Cb -0.04 -2.15 1.06 0.00 0.02 0.00 0.00 34.50 33.38 2wvz s PRO 193 CO 0.12 -0.19 1.84 0.93 -0.33 0.00 0.00 177.00 179.36 2wvz h GLU 194 N 1.51 0.43 -0.78 5.54 5.08 -1.97 0.17 114.58 124.55 2wvz h GLU 194 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2wvz h GLU 194 Cb 1.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wvz h GLU 194 CO 0.61 0.28 0.00 0.27 -1.00 0.00 0.00 179.01 179.17 2wvz n ASN 195 N -4.54 1.71 -4.72 1.42 6.94 -1.26 -4.95 115.26 109.86 2wvz n ASN 195 Ca 0.20 -2.15 -0.42 0.00 -0.02 0.00 0.00 54.58 52.20 2wvz n ASN 195 Cb 0.71 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.64 2wvz n ASN 195 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wvz s PHE 196 N -1.42 3.11 -0.11 -2.53 5.36 0.59 -5.00 117.98 117.97 2wvz s PHE 196 Ca 0.10 0.79 -0.18 0.00 -0.96 0.00 0.00 56.93 56.68 2wvz s PHE 196 Cb 0.07 -3.84 0.04 0.00 -0.34 0.00 0.00 43.02 38.96 2wvz s PHE 196 CO 0.04 -2.99 0.46 0.15 -1.46 0.00 0.00 175.22 171.42 2wvz s LYS 197 N 0.85 0.67 -0.22 10.12 1.02 -1.26 -4.78 119.74 126.13 2wvz s LYS 197 Ca 0.66 0.36 -0.05 0.00 0.02 0.00 0.00 55.97 56.96 2wvz s LYS 197 Cb -0.41 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 2wvz s LYS 197 CO 0.33 -0.14 0.00 1.21 -0.92 0.00 0.00 175.35 175.83 2wvz s ASN 198 N -0.42 4.68 -0.15 2.83 3.84 -0.51 -4.61 114.94 120.61 2wvz s ASN 198 Ca -0.06 -0.29 -0.13 0.00 0.21 0.00 0.00 52.86 52.60 2wvz s ASN 198 Cb -0.03 -1.81 -0.05 0.00 -0.55 0.00 0.00 41.25 38.80 2wvz s ASN 198 CO 0.03 -0.00 0.28 -0.31 -2.79 0.00 0.00 177.10 174.31 2wvz s TYR 199 N 1.39 3.49 0.11 0.43 1.51 0.06 -1.11 117.35 123.22 2wvz s TYR 199 Ca 0.05 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.74 2wvz s TYR 199 Cb -0.15 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 2wvz s TYR 199 CO 0.00 0.31 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.08 2wvz s PHE 200 N 0.24 0.96 -0.10 2.71 -0.12 0.62 -0.50 117.98 121.79 2wvz s PHE 200 Ca 0.16 -0.87 -0.06 0.00 -0.05 0.00 0.00 56.93 56.11 2wvz s PHE 200 Cb -0.13 -0.54 0.04 0.00 -0.63 0.00 0.00 43.02 41.76 2wvz s PHE 200 CO 0.04 -0.10 0.24 0.42 -0.05 0.00 0.00 175.22 175.77 2wvz s ILE 201 N -3.50 -0.03 -0.09 -4.49 1.01 -0.72 -2.42 121.20 110.96 2wvz s ILE 201 Ca 0.12 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.88 2wvz s ILE 201 Cb 0.04 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 42.17 2wvz s ILE 201 CO -0.04 0.04 -0.11 -0.63 0.00 0.00 0.00 174.94 174.20 2wvz s ILE 202 N 0.86 1.17 -0.26 2.92 1.01 0.04 -2.67 121.20 124.27 2wvz s ILE 202 Ca -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2wvz s ILE 202 Cb -0.07 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.36 2wvz s ILE 202 CO -0.05 0.37 -0.10 -1.61 0.00 0.00 0.00 174.94 173.55 2wvz s GLU 203 N 1.04 2.11 0.10 2.79 2.02 0.11 -2.35 118.70 124.52 2wvz s GLU 203 Ca -0.07 -1.31 -0.19 0.00 0.02 0.00 0.00 54.97 53.42 2wvz s GLU 203 Cb -0.15 -2.85 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 2wvz s GLU 203 CO -0.01 -0.59 0.58 -0.06 0.02 0.00 0.00 175.26 175.21 2wvz s PHE 204 N 1.14 3.76 -0.93 1.61 0.40 -0.82 -1.56 117.98 121.59 2wvz s PHE 204 Ca -0.08 1.25 0.12 0.00 -0.60 0.00 0.00 56.93 57.62 2wvz s PHE 204 Cb -0.20 -2.49 0.54 0.00 0.51 0.00 0.00 43.02 41.39 2wvz s PHE 204 CO -0.05 0.54 1.38 -0.40 0.70 0.00 0.00 175.22 177.38 2wvz n ASP 205 N 1.46 3.88 -3.72 1.36 5.75 -1.02 -4.75 116.55 119.51 2wvz n ASP 205 Ca -0.09 -2.46 -0.14 0.00 -0.01 0.00 0.00 54.79 52.09 2wvz n ASP 205 Cb 0.51 -0.55 -0.15 0.00 -1.03 0.00 0.00 41.12 39.91 2wvz n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wvz s LYS 206 N -1.96 0.09 0.47 0.11 2.20 -1.26 -4.97 119.74 114.42 2wvz s LYS 206 Ca 0.37 0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 56.21 2wvz s LYS 206 Cb 0.26 -0.19 -0.07 0.00 -1.51 0.00 0.00 37.83 36.32 2wvz s LYS 206 CO 0.15 -0.21 1.27 -2.14 -0.36 0.00 0.00 175.35 174.06 2wvz s PRO 207 N 1.57 3.64 0.06 4.03 0.02 -1.26 -4.96 135.00 138.10 2wvz s PRO 207 Ca -0.05 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 62.71 2wvz s PRO 207 Cb -0.12 -2.48 -0.06 0.00 0.02 0.00 0.00 34.50 31.86 2wvz s PRO 207 CO -0.06 -0.73 1.23 -0.06 -0.33 0.00 0.00 177.00 177.04 2wvz s PHE 208 N -1.37 3.39 -0.45 6.54 0.08 -1.26 -4.88 117.98 120.03 2wvz s PHE 208 Ca 0.64 1.24 0.21 0.00 0.12 0.00 0.00 56.93 59.14 2wvz s PHE 208 Cb -0.36 -3.46 -0.28 0.00 -0.57 0.00 0.00 43.02 38.36 2wvz s PHE 208 CO 0.44 -1.44 0.64 2.41 -0.10 0.00 0.00 175.22 177.17 2wvz n THR 209 N 3.98 0.00 -4.09 0.64 -1.04 -0.25 -4.97 114.28 108.55 2wvz n THR 209 Ca 0.09 -0.28 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 2wvz n THR 209 Cb 0.46 0.46 -0.10 0.00 -1.82 0.00 0.00 70.33 69.32 2wvz n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2wvz s TYR 210 N -3.23 0.58 -0.29 -1.42 6.14 -0.12 -4.95 117.35 114.06 2wvz s TYR 210 Ca -0.01 -0.91 -0.16 0.00 0.64 0.00 0.00 57.07 56.63 2wvz s TYR 210 Cb 0.14 -0.39 0.17 0.00 0.42 0.00 0.00 41.96 42.30 2wvz s TYR 210 CO 0.86 -0.28 1.06 -1.59 0.64 0.00 0.00 175.55 176.25 2wvz s LYS 211 N -3.36 0.28 0.02 4.97 -2.85 -1.26 -2.77 119.74 114.77 2wvz s LYS 211 Ca 0.03 0.48 -0.12 0.00 -1.00 0.00 0.00 55.97 55.36 2wvz s LYS 211 Cb 0.03 0.06 0.01 0.00 -2.06 0.00 0.00 37.83 35.87 2wvz s LYS 211 CO -0.07 -0.06 0.25 0.00 0.10 0.00 0.00 175.35 175.58 2wvz s ALA 212 N 1.24 -0.57 0.12 0.59 0.00 0.02 0.53 121.76 123.69 2wvz s ALA 212 Ca -0.09 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2wvz s ALA 212 Cb -0.03 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2wvz s ALA 212 CO -0.13 -0.33 0.08 0.95 0.00 0.00 0.00 175.76 176.32 2wvz s THR 213 N -2.10 4.34 0.25 0.00 -4.23 -1.21 -0.97 115.64 111.72 2wvz s THR 213 Ca -0.08 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 2wvz s THR 213 Cb -0.03 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 2wvz s THR 213 CO -0.01 0.02 0.12 -0.69 -0.54 0.00 0.00 174.62 173.53 2wvz s VAL 214 N -1.53 4.10 -0.40 2.29 1.01 0.41 -1.22 120.40 125.06 2wvz s VAL 214 Ca 0.29 -1.57 0.07 0.00 0.00 0.00 0.00 61.98 60.77 2wvz s VAL 214 Cb -0.11 -3.20 0.17 0.00 0.00 0.00 0.00 36.38 33.24 2wvz s VAL 214 CO 0.21 -0.35 0.55 -0.70 0.00 0.00 0.00 175.10 174.82 2wvz s GLU 215 N -3.75 0.77 -1.33 2.72 -6.30 -1.07 -3.31 118.70 106.43 2wvz s GLU 215 Ca 0.32 -0.46 -0.05 0.00 -2.50 0.00 0.00 54.97 52.29 2wvz s GLU 215 Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 34.13 33.90 2wvz s GLU 215 CO 0.23 -1.19 0.55 0.09 0.02 0.00 0.00 175.26 174.96 2wvz n ASN 216 N 4.35 -1.58 0.00 -1.70 5.03 -1.17 -1.98 115.26 118.20 2wvz n ASN 216 Ca 0.11 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.59 2wvz n ASN 216 Cb 0.53 -3.31 0.00 0.00 -1.02 0.00 0.00 39.78 35.98 2wvz n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvz n GLY 217 N -1.84 2.82 3.57 7.41 0.00 -1.26 -5.03 105.19 110.85 2wvz n GLY 217 Ca -0.26 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2wvz n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvz s ASN 218 N 0.60 5.82 -0.17 1.61 0.01 -0.84 -4.86 114.94 117.11 2wvz s ASN 218 Ca 0.00 0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 52.24 2wvz s ASN 218 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2wvz s ASN 218 CO 0.00 -1.93 1.76 -0.22 -1.51 0.00 0.00 177.10 175.20 2wvz s LEU 219 N 7.11 3.95 -0.69 0.60 2.96 -1.26 -2.61 118.68 128.73 2wvz s LEU 219 Ca 0.59 1.88 0.05 0.00 -0.22 0.00 0.00 54.13 56.43 2wvz s LEU 219 Cb -0.13 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.21 2wvz s LEU 219 CO 0.24 -1.30 0.52 0.00 -1.32 0.00 0.00 176.35 174.49 2wvz n GLN 220 N 7.76 1.88 -1.54 1.98 1.13 -0.36 -4.99 117.38 123.23 2wvz n GLN 220 Ca 0.20 -4.48 -0.48 0.00 -1.94 0.00 0.00 57.00 50.31 2wvz n GLN 220 Cb 0.44 -2.26 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 2wvz n GLN 220 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2wvz n GLU 221 N 1.84 0.92 -0.88 -1.09 2.13 -1.26 -2.45 120.64 119.83 2wvz n GLU 221 Ca 0.21 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.36 2wvz n GLU 221 Cb 0.36 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2wvz n GLU 221 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wvz n ASN 222 N 1.74 -4.03 -4.71 4.31 3.02 0.19 -4.92 115.26 110.86 2wvz n ASN 222 Ca 0.14 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 2wvz n ASN 222 Cb 0.26 -2.80 -0.05 0.00 -0.61 0.00 0.00 39.78 36.57 2wvz n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wvz s VAL 223 N -1.23 5.08 -0.51 2.41 1.01 -1.03 -5.01 120.40 121.13 2wvz s VAL 223 Ca 0.00 1.26 0.24 0.00 0.00 0.00 0.00 61.98 63.48 2wvz s VAL 223 Cb 0.00 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.51 2wvz s VAL 223 CO 0.00 0.25 1.32 0.00 0.00 0.00 0.00 175.10 176.67 2wvz h ALA 224 N 6.87 0.65 -2.42 5.51 0.00 -1.89 -3.27 119.26 124.71 2wvz h ALA 224 Ca -0.39 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2wvz h ALA 224 Cb 1.18 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 2wvz h ALA 224 CO 0.76 0.00 -0.10 -1.83 0.00 0.00 0.00 179.25 178.08 2wvz s GLU 225 N -3.22 0.87 0.01 0.00 -1.05 -1.26 0.10 118.70 114.14 2wvz s GLU 225 Ca 0.05 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 2wvz s GLU 225 Cb 0.11 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2wvz s GLU 225 CO 0.72 -0.28 -0.01 -0.65 0.95 0.00 0.00 175.26 175.99 2wvz s GLN 226 N -1.85 0.14 -0.46 -4.83 -1.52 0.23 -5.00 119.66 106.38 2wvz s GLN 226 Ca -0.09 -0.27 0.03 0.00 -1.95 0.00 0.00 55.36 53.08 2wvz s GLN 226 Cb -0.02 0.04 0.15 0.00 -0.22 0.00 0.00 33.01 32.96 2wvz s GLN 226 CO 0.02 -0.02 0.31 0.99 -0.25 0.00 0.00 175.29 176.35 2wvz s THR 227 N -0.64 1.03 0.24 -0.19 2.01 -1.26 -1.74 115.64 115.09 2wvz s THR 227 Ca -0.07 -2.73 -0.05 0.00 0.31 0.00 0.00 61.69 59.15 2wvz s THR 227 Cb -0.04 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 2wvz s THR 227 CO -0.00 -1.06 0.31 0.28 -0.69 0.00 0.00 174.62 173.45 2wvz s THR 228 N 0.07 0.00 0.32 -0.82 -1.32 -1.15 -5.00 115.64 107.74 2wvz s THR 228 Ca 0.25 -1.73 0.10 0.00 -1.21 0.00 0.00 61.69 59.09 2wvz s THR 228 Cb -0.10 -2.40 0.31 0.00 -1.51 0.00 0.00 72.50 68.80 2wvz s THR 228 CO -0.10 0.00 1.69 -0.78 -2.21 0.00 0.00 174.62 173.22 2wvz h ASP 229 N 2.40 0.51 -2.76 8.08 3.58 -1.93 -0.62 116.42 125.68 2wvz h ASP 229 Ca -0.31 0.17 -0.54 0.00 0.42 0.00 0.00 57.03 56.77 2wvz h ASP 229 Cb 1.25 0.11 -0.40 0.00 1.72 0.00 0.00 39.33 42.01 2wvz h ASP 229 CO 0.44 -0.03 -0.79 -2.28 -2.88 0.00 0.00 179.24 173.71 2wvz s HIS 230 N -5.76 0.36 0.12 0.28 2.46 -1.26 -0.15 115.29 111.34 2wvz s HIS 230 Ca -0.11 -0.97 -0.04 0.00 0.47 0.00 0.00 55.06 54.41 2wvz s HIS 230 Cb 0.28 -0.90 -0.05 0.00 -0.13 0.00 0.00 32.58 31.78 2wvz s HIS 230 CO 0.79 -0.83 0.35 0.00 -2.47 0.00 0.00 174.74 172.58 2wvz s ALA 231 N 1.97 3.82 0.35 1.58 0.00 -1.24 -3.05 121.76 125.20 2wvz s ALA 231 Ca 0.10 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 2wvz s ALA 231 Cb -0.17 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.89 2wvz s ALA 231 CO -0.32 0.69 0.67 0.20 0.00 0.00 0.00 175.76 176.99 2wvz s GLY 232 N -2.38 0.67 -0.09 0.00 0.00 -1.21 -1.89 107.32 102.43 2wvz s GLY 232 Ca 0.39 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 2wvz s GLY 232 CO 0.24 -0.51 0.41 0.00 0.00 0.00 0.00 173.10 173.23 2wvz s ALA 233 N -2.80 -1.02 -0.03 3.20 0.00 -0.51 -0.44 121.76 120.16 2wvz s ALA 233 Ca 0.20 0.85 0.06 0.00 0.00 0.00 0.00 51.96 53.07 2wvz s ALA 233 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2wvz s ALA 233 CO 0.13 -0.24 -0.21 0.42 0.00 0.00 0.00 175.76 175.86 2wvz s ILE 234 N -0.57 1.72 0.01 0.00 1.01 -0.15 -0.45 121.20 122.78 2wvz s ILE 234 Ca -0.07 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2wvz s ILE 234 Cb -0.04 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 2wvz s ILE 234 CO 0.03 0.49 -0.07 0.27 0.00 0.00 0.00 174.94 175.66 2wvz s ILE 235 N -0.38 0.53 0.27 2.92 -5.25 -0.82 -0.80 121.20 117.68 2wvz s ILE 235 Ca 0.05 -0.53 -0.07 0.00 -0.99 0.00 0.00 60.65 59.11 2wvz s ILE 235 Cb -0.10 -0.50 -0.01 0.00 2.95 0.00 0.00 42.46 44.81 2wvz s ILE 235 CO 0.00 -0.02 0.41 -0.83 -1.79 0.00 0.00 174.94 172.71 2wvz s GLY 236 N -0.60 1.08 0.31 6.27 0.00 -1.11 -0.71 107.32 112.55 2wvz s GLY 236 Ca -0.01 -1.28 -0.15 0.00 0.00 0.00 0.00 44.72 43.28 2wvz s GLY 236 CO 0.00 -0.92 0.77 1.97 0.00 0.00 0.00 173.10 174.92 2wvz n PHE 237 N -0.43 -1.98 -2.99 1.90 -0.00 0.65 -0.94 117.46 113.66 2wvz n PHE 237 Ca 0.00 -1.53 -0.39 0.00 -0.00 0.00 0.00 57.45 55.52 2wvz n PHE 237 Cb 0.63 0.76 -0.06 0.00 -0.00 0.00 0.00 39.48 40.81 2wvz n PHE 237 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2wvz s LYS 238 N -2.07 4.55 -0.00 3.97 1.02 -1.26 -2.55 119.74 123.40 2wvz s LYS 238 Ca 0.16 1.14 0.03 0.00 0.02 0.00 0.00 55.97 57.32 2wvz s LYS 238 Cb -0.04 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2wvz s LYS 238 CO 0.09 0.55 -0.10 0.95 -0.92 0.00 0.00 175.35 175.92 2wvz s THR 239 N -1.07 0.80 0.58 2.17 -4.23 -0.61 -4.98 115.64 108.30 2wvz s THR 239 Ca 0.36 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.33 2wvz s THR 239 Cb -0.23 -0.69 0.03 0.00 1.34 0.00 0.00 72.50 72.95 2wvz s THR 239 CO 0.26 0.17 0.85 0.00 -0.54 0.00 0.00 174.62 175.36 2wvz s ARG 240 N -0.38 2.65 0.07 3.99 1.70 -1.26 0.04 118.95 125.75 2wvz s ARG 240 Ca 0.03 -0.38 -0.31 0.00 -0.47 0.00 0.00 55.73 54.60 2wvz s ARG 240 Cb -0.04 -2.36 -0.09 0.00 -0.57 0.00 0.00 34.95 31.89 2wvz s ARG 240 CO -0.00 -0.77 1.75 0.21 -1.08 0.00 0.00 175.30 175.41 2wvz s LYS 241 N -4.91 4.17 0.00 3.89 2.20 -1.26 -2.65 119.74 121.17 2wvz s LYS 241 Ca 0.55 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.60 2wvz s LYS 241 Cb -0.10 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2wvz s LYS 241 CO 0.42 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 2wvz n GLY 242 N 4.16 0.68 3.66 5.54 0.00 0.77 -4.77 105.19 115.24 2wvz n GLY 242 Ca 0.17 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2wvz n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvz s GLU 243 N -0.83 4.25 -0.18 1.61 2.12 -1.09 -4.78 118.70 119.80 2wvz s GLU 243 Ca 0.00 0.87 -0.20 0.00 0.36 0.00 0.00 54.97 55.99 2wvz s GLU 243 Cb 0.00 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 2wvz s GLU 243 CO 0.00 -0.32 0.60 -0.65 -0.54 0.00 0.00 175.26 174.35 2wvz s GLN 244 N 2.16 4.24 -0.22 4.30 -0.21 -1.26 -1.36 119.66 127.31 2wvz s GLN 244 Ca 0.34 0.59 -0.04 0.00 0.02 0.00 0.00 55.36 56.27 2wvz s GLN 244 Cb -0.16 -3.55 -0.01 0.00 1.00 0.00 0.00 33.01 30.28 2wvz s GLN 244 CO 0.11 -0.17 -0.02 0.08 -2.12 0.00 0.00 175.29 173.17 2wvz s VAL 245 N 1.66 3.54 0.02 1.09 1.01 0.53 -4.95 120.40 123.30 2wvz s VAL 245 Ca 0.28 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 2wvz s VAL 245 Cb -0.16 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 2wvz s VAL 245 CO 0.11 0.41 0.45 0.20 0.00 0.00 0.00 175.10 176.26 2wvz s ASN 246 N 1.47 6.87 -0.28 3.32 0.01 -1.26 -1.20 114.94 123.86 2wvz s ASN 246 Ca 0.05 1.03 0.01 0.00 -0.71 0.00 0.00 52.86 53.25 2wvz s ASN 246 Cb -0.14 -2.28 0.08 0.00 0.41 0.00 0.00 41.25 39.32 2wvz s ASN 246 CO -0.02 0.31 0.02 0.00 -1.51 0.00 0.00 177.10 175.90 2wvz s ALA 247 N -1.06 2.07 0.03 0.60 0.00 -0.54 -2.45 121.76 120.41 2wvz s ALA 247 Ca 0.25 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 2wvz s ALA 247 Cb -0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2wvz s ALA 247 CO 0.15 -1.46 1.20 1.03 0.00 0.00 0.00 175.76 176.68 2wvz s ARG 248 N 1.34 4.41 -0.00 0.00 0.52 -0.60 -1.33 118.95 123.28 2wvz s ARG 248 Ca 0.03 1.75 -0.01 0.00 -0.52 0.00 0.00 55.73 56.98 2wvz s ARG 248 Cb -0.18 -3.41 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 2wvz s ARG 248 CO -0.12 -0.31 0.01 0.42 0.02 0.00 0.00 175.30 175.32 2wvz s ILE 249 N 1.38 0.03 0.01 1.52 1.01 0.30 0.04 121.20 125.48 2wvz s ILE 249 Ca 0.58 -0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.72 2wvz s ILE 249 Cb -0.28 -0.11 0.06 0.00 0.01 0.00 0.00 42.46 42.14 2wvz s ILE 249 CO 0.27 -0.14 0.61 0.00 0.00 0.00 0.00 174.94 175.69 2wvz s ALA 250 N -0.40 -1.60 0.29 9.38 0.00 -1.09 0.12 121.76 128.47 2wvz s ALA 250 Ca -0.04 0.97 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2wvz s ALA 250 Cb -0.03 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2wvz s ALA 250 CO -0.00 -0.46 0.20 -1.54 0.00 0.00 0.00 175.76 173.95 2wvz s SER 251 N -1.63 1.27 -0.11 0.00 1.04 -1.17 -1.76 113.70 111.34 2wvz s SER 251 Ca -0.08 -1.60 -0.30 0.00 0.48 0.00 0.00 55.95 54.45 2wvz s SER 251 Cb -0.01 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.66 2wvz s SER 251 CO 0.03 -0.94 0.80 -0.55 0.98 0.00 0.00 173.24 173.55 2wvz s SER 252 N -3.33 -0.57 0.00 7.02 0.15 0.34 -4.66 113.70 112.66 2wvz s SER 252 Ca 0.38 0.68 0.25 0.00 0.70 0.00 0.00 55.95 57.96 2wvz s SER 252 Cb 0.04 0.55 0.33 0.00 -1.71 0.00 0.00 66.02 65.23 2wvz s SER 252 CO 0.20 -0.48 1.32 0.49 1.20 0.00 0.00 173.24 175.97 2wvz n PHE 253 N 1.04 0.00 -0.09 3.44 3.01 -1.26 -0.76 117.46 122.84 2wvz n PHE 253 Ca -0.16 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.20 2wvz n PHE 253 Cb 0.57 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 2wvz n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wvz n ILE 254 N 0.71 1.49 -3.58 4.37 5.41 -1.26 -4.75 119.36 121.74 2wvz n ILE 254 Ca 0.14 0.11 -0.10 0.00 1.00 0.00 0.00 62.75 63.90 2wvz n ILE 254 Cb 0.51 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 37.14 2wvz n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wvz s SER 255 N -6.03 -0.45 0.38 4.38 1.04 -1.26 -5.00 113.70 106.75 2wvz s SER 255 Ca -0.29 -0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.00 2wvz s SER 255 Cb 0.05 0.64 0.81 0.00 0.10 0.00 0.00 66.02 67.62 2wvz s SER 255 CO 0.42 -1.10 1.95 -0.26 0.98 0.00 0.00 173.24 175.24 2wvz h PHE 256 N 2.00 0.70 -0.09 5.02 0.04 -1.92 -1.26 116.94 121.43 2wvz h PHE 256 Ca -0.28 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.44 2wvz h PHE 256 Cb 1.29 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2wvz h PHE 256 CO 0.30 0.35 -0.23 1.49 -0.60 0.00 0.00 178.31 179.62 2wvz h GLU 257 N 0.67 0.15 0.11 1.51 4.81 -2.00 -2.44 114.58 117.39 2wvz h GLU 257 Ca 0.32 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 59.21 2wvz h GLU 257 Cb 0.36 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.75 2wvz h GLU 257 CO -0.11 0.39 -1.22 0.37 -0.73 0.00 0.00 179.01 177.71 2wvz h GLN 258 N 0.14 0.58 -0.92 1.92 5.75 -1.65 -2.90 115.11 118.03 2wvz h GLN 258 Ca 0.02 -0.77 0.17 0.00 -0.15 0.00 0.00 58.65 57.92 2wvz h GLN 258 Cb 0.50 0.25 -0.08 0.00 1.07 0.00 0.00 27.48 29.23 2wvz h GLN 258 CO 0.03 1.34 0.59 0.00 -2.65 0.00 0.00 178.83 178.15 2wvz h ALA 259 N 0.36 1.90 -0.51 3.38 0.00 -1.07 0.20 119.26 123.53 2wvz h ALA 259 Ca -0.17 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2wvz h ALA 259 Cb 1.89 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2wvz h ALA 259 CO 0.23 -0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.52 2wvz h ALA 260 N 1.61 0.66 -0.27 0.00 0.00 -1.29 -1.15 119.26 118.82 2wvz h ALA 260 Ca 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wvz h ALA 260 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2wvz h ALA 260 CO -0.23 0.25 0.18 0.00 0.00 0.00 0.00 179.25 179.44 2wvz h ALA 261 N 1.06 0.34 -0.89 0.00 0.00 -0.64 -2.86 119.26 116.27 2wvz h ALA 261 Ca 0.17 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2wvz h ALA 261 Cb 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2wvz h ALA 261 CO -0.02 -0.19 0.57 -0.91 0.00 0.00 0.00 179.25 178.70 2wvz h ASN 262 N 0.36 0.72 -0.81 0.00 2.35 0.02 -0.24 115.58 117.98 2wvz h ASN 262 Ca 0.10 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 56.03 2wvz h ASN 262 Cb -0.04 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.16 2wvz h ASN 262 CO -0.02 0.39 0.54 -0.03 -1.65 0.00 0.00 177.43 176.65 2wvz h MET 263 N 0.78 0.49 0.00 0.81 4.05 -0.99 -0.43 114.93 119.64 2wvz h MET 263 Ca 0.43 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 2wvz h MET 263 Cb 0.58 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 2wvz h MET 263 CO -0.20 0.32 0.04 0.09 0.23 0.00 0.00 176.91 177.40 2wvz n ASN 264 N -4.51 0.00 0.21 1.39 4.13 -0.10 -1.20 115.26 115.19 2wvz n ASN 264 Ca 0.16 0.31 0.06 0.00 1.68 0.00 0.00 54.58 56.79 2wvz n ASN 264 Cb 0.52 -0.31 0.53 0.00 -1.54 0.00 0.00 39.78 38.98 2wvz n ASN 264 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2wvz h GLU 265 N 0.00 0.05 0.00 3.52 5.08 -1.24 -2.44 114.58 119.55 2wvz h GLU 265 Ca 0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2wvz h GLU 265 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2wvz h GLU 265 CO 0.00 0.15 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.35 2wvz h LEU 266 N 0.05 0.00 0.00 1.33 3.38 -1.39 -3.49 115.31 115.18 2wvz h LEU 266 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2wvz h LEU 266 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2wvz h LEU 266 CO 0.01 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2wvz n GLY 267 N 0.99 3.08 0.82 0.83 0.00 -0.92 -2.12 105.19 107.87 2wvz n GLY 267 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2wvz n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wvz n LYS 268 N 13.85 2.86 -2.09 1.61 4.76 -1.26 -4.98 118.16 132.92 2wvz n LYS 268 Ca 0.00 -2.71 -0.37 0.00 -2.87 0.00 0.00 58.31 52.36 2wvz n LYS 268 Cb 0.00 -1.74 0.01 0.00 -1.84 0.00 0.00 35.03 31.46 2wvz n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wvz s ASP 269 N -1.82 5.80 0.73 4.39 1.01 -0.90 -5.05 116.67 120.83 2wvz s ASP 269 Ca 0.39 2.45 -0.02 0.00 0.71 0.00 0.00 52.55 56.08 2wvz s ASP 269 Cb 0.30 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.76 2wvz s ASP 269 CO 0.10 -1.18 0.89 -0.46 0.21 0.00 0.00 175.17 174.73 2wvz n ASN 270 N -0.76 1.01 0.14 0.27 0.23 -1.26 -4.85 115.26 110.04 2wvz n ASN 270 Ca 0.09 -1.90 -0.13 0.00 -0.53 0.00 0.00 54.58 52.10 2wvz n ASN 270 Cb 0.47 -0.60 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 2wvz n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wvz h ILE 271 N -0.72 0.42 -0.68 1.53 1.08 -1.95 -2.23 117.51 114.95 2wvz h ILE 271 Ca -0.29 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.34 2wvz h ILE 271 Cb 1.04 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 2wvz h ILE 271 CO 0.30 0.00 0.47 -0.33 -0.69 0.00 0.00 178.15 177.90 2wvz h GLU 272 N -0.52 0.19 0.01 2.37 3.07 -1.99 -0.65 114.58 117.06 2wvz h GLU 272 Ca 0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wvz h GLU 272 Cb 0.52 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2wvz h GLU 272 CO -0.12 0.13 -0.00 1.96 -1.40 0.00 0.00 179.01 179.58 2wvz h GLN 273 N 0.20 -0.01 -0.62 2.33 4.20 -1.82 -2.74 115.11 116.65 2wvz h GLN 273 Ca 0.33 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.05 2wvz h GLN 273 Cb 1.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 2wvz h GLN 273 CO -0.06 0.81 0.41 -0.07 -0.67 0.00 0.00 178.83 179.25 2wvz h LEU 274 N -0.87 0.70 0.49 1.46 3.38 -1.08 -2.06 115.31 117.33 2wvz h LEU 274 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2wvz h LEU 274 Cb 0.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2wvz h LEU 274 CO 0.00 0.50 -0.46 0.00 0.09 0.00 0.00 178.44 178.58 2wvz h ALA 275 N 1.62 -1.03 -0.37 1.53 0.00 -1.18 0.16 119.26 119.98 2wvz h ALA 275 Ca 0.23 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2wvz h ALA 275 Cb -0.07 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2wvz h ALA 275 CO -0.05 -1.12 0.26 0.37 0.00 0.00 0.00 179.25 178.71 2wvz h GLN 276 N -0.94 0.10 0.15 0.00 5.75 -1.16 0.72 115.11 119.72 2wvz h GLN 276 Ca -0.05 -0.01 -0.29 0.00 -0.15 0.00 0.00 58.65 58.15 2wvz h GLN 276 Cb 0.82 -0.02 0.02 0.00 1.07 0.00 0.00 27.48 29.37 2wvz h GLN 276 CO -0.05 0.07 -1.28 0.87 -2.65 0.00 0.00 178.83 175.79 2wvz h LYS 277 N 0.10 0.46 -0.26 1.69 1.57 -1.01 0.15 116.57 119.28 2wvz h LYS 277 Ca 0.17 -0.70 -0.02 0.00 -1.87 0.00 0.00 60.65 58.23 2wvz h LYS 277 Cb 0.56 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2wvz h LYS 277 CO -0.02 1.32 0.07 0.78 -0.57 0.00 0.00 179.45 181.03 2wvz h GLY 278 N 0.78 0.44 0.96 3.86 0.00 0.10 -0.07 103.07 109.14 2wvz h GLY 278 Ca -0.18 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 46.92 2wvz h GLY 278 CO 0.23 0.25 0.59 1.70 0.00 0.00 0.00 176.54 179.31 2wvz h LYS 279 N 0.24 1.06 -0.14 4.80 3.64 0.46 -1.03 116.57 125.61 2wvz h LYS 279 Ca 0.08 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2wvz h LYS 279 Cb 0.27 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2wvz h LYS 279 CO 0.00 0.70 0.06 -0.44 -2.27 0.00 0.00 179.45 177.50 2wvz h ASP 280 N 1.10 0.19 -0.35 4.20 3.32 -0.51 -1.86 116.42 122.50 2wvz h ASP 280 Ca 0.36 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2wvz h ASP 280 Cb 0.06 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2wvz h ASP 280 CO -0.12 0.30 0.22 0.00 -1.72 0.00 0.00 179.24 177.92 2wvz h ALA 281 N 0.90 0.44 -0.57 3.45 0.00 -0.19 -1.74 119.26 121.55 2wvz h ALA 281 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wvz h ALA 281 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2wvz h ALA 281 CO -0.00 -0.09 0.27 -1.49 0.00 0.00 0.00 179.25 177.93 2wvz h TRP 282 N 0.46 0.84 0.00 0.00 4.06 -1.26 -2.59 115.95 117.47 2wvz h TRP 282 Ca 0.13 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 61.01 2wvz h TRP 282 Cb -0.04 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 27.86 2wvz h TRP 282 CO -0.05 0.65 -0.11 -0.91 -3.56 0.00 0.00 178.44 174.47 2wvz h ASN 283 N 0.78 0.00 -0.35 -3.49 -0.26 -1.02 0.13 115.58 111.37 2wvz h ASN 283 Ca 0.20 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.78 2wvz h ASN 283 Cb 0.14 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2wvz h ASN 283 CO -0.02 0.11 -0.37 -0.61 -1.06 0.00 0.00 177.43 175.47 2wvz h GLN 284 N 0.00 0.87 0.19 0.81 5.75 -0.92 -1.53 115.11 120.28 2wvz h GLN 284 Ca -0.00 -0.47 -0.30 0.00 -0.15 0.00 0.00 58.65 57.73 2wvz h GLN 284 Cb 0.29 0.02 0.02 0.00 1.07 0.00 0.00 27.48 28.89 2wvz h GLN 284 CO 0.01 1.11 -1.42 -0.39 -2.65 0.00 0.00 178.83 175.50 2wvz h VAL 285 N 0.67 1.19 -0.63 2.39 -1.51 -1.34 -3.35 116.25 113.66 2wvz h VAL 285 Ca 0.05 -2.56 -0.01 0.00 -1.23 0.00 0.00 66.70 62.95 2wvz h VAL 285 Cb 0.96 2.94 -0.03 0.00 -2.13 0.00 0.00 31.29 33.04 2wvz h VAL 285 CO 0.09 0.79 0.34 -0.07 -1.23 0.00 0.00 177.57 177.49 2wvz h LEU 286 N -0.04 0.78 0.00 4.19 3.38 -0.83 -2.20 115.31 120.59 2wvz h LEU 286 Ca -0.27 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2wvz h LEU 286 Cb 1.98 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2wvz h LEU 286 CO 0.19 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2wvz n GLY 287 N -1.23 -0.84 0.27 0.83 0.00 -0.58 -2.76 105.19 100.90 2wvz n GLY 287 Ca 0.06 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.14 2wvz n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvz h LYS 288 N 0.00 0.00 -5.08 1.61 1.79 -1.53 -3.39 116.57 109.98 2wvz h LYS 288 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 2wvz h LYS 288 Cb 0.13 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 30.45 2wvz h LYS 288 CO 0.00 0.06 -0.83 0.42 -1.08 0.00 0.00 179.45 178.02 2wvz s ILE 289 N -3.81 2.35 -0.31 1.86 1.01 -1.11 -0.37 121.20 120.82 2wvz s ILE 289 Ca -0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 2wvz s ILE 289 Cb 0.10 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.61 2wvz s ILE 289 CO 0.55 0.52 0.06 -1.61 0.00 0.00 0.00 174.94 174.45 2wvz s GLU 290 N 1.22 2.69 -0.00 2.79 2.02 -0.01 -4.94 118.70 122.47 2wvz s GLU 290 Ca 0.03 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2wvz s GLU 290 Cb -0.14 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2wvz s GLU 290 CO -0.09 -0.58 0.01 0.14 0.02 0.00 0.00 175.26 174.76 2wvz s VAL 291 N 1.38 4.24 0.22 2.63 -7.23 -1.26 0.25 120.40 120.62 2wvz s VAL 291 Ca -0.02 -0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.50 2wvz s VAL 291 Cb -0.19 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 2wvz s VAL 291 CO 0.01 0.37 0.35 -1.83 -0.31 0.00 0.00 175.10 173.70 2wvz s GLU 292 N -1.58 1.39 -0.40 4.82 -1.05 -0.10 -4.95 118.70 116.84 2wvz s GLU 292 Ca 0.20 -1.34 -0.03 0.00 -0.15 0.00 0.00 54.97 53.65 2wvz s GLU 292 Cb -0.12 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2wvz s GLU 292 CO 0.11 -0.54 0.34 0.41 0.95 0.00 0.00 175.26 176.53 2wvz n GLY 293 N -0.33 0.51 0.00 -3.83 0.00 -1.26 -2.19 105.19 98.10 2wvz n GLY 293 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wvz n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvz n GLY 294 N -0.94 4.37 3.84 -0.02 0.00 -1.26 -2.86 105.19 108.32 2wvz n GLY 294 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 2wvz n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvz s ASN 295 N -0.66 4.89 0.22 1.61 2.20 -1.26 -4.98 114.94 116.95 2wvz s ASN 295 Ca 0.00 -0.83 -0.06 0.00 -0.94 0.00 0.00 52.86 51.02 2wvz s ASN 295 Cb 0.00 -0.54 0.18 0.00 -2.00 0.00 0.00 41.25 38.89 2wvz s ASN 295 CO 0.00 -0.63 1.71 0.25 -2.94 0.00 0.00 177.10 175.50 2wvz h LEU 296 N 1.13 0.96 -0.82 3.54 5.85 -2.02 -0.32 115.31 123.63 2wvz h LEU 296 Ca -0.42 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.21 2wvz h LEU 296 Cb 1.26 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2wvz h LEU 296 CO 0.61 0.98 0.39 0.44 -0.34 0.00 0.00 178.44 180.52 2wvz h ASP 297 N 0.94 0.45 -0.20 1.25 3.32 -1.99 -1.77 116.42 118.41 2wvz h ASP 297 Ca 0.18 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 2wvz h ASP 297 Cb 0.45 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2wvz h ASP 297 CO 0.02 0.19 -0.29 1.56 -1.72 0.00 0.00 179.24 178.99 2wvz h GLN 298 N 0.57 0.55 -0.89 3.56 4.20 -1.51 -1.49 115.11 120.10 2wvz h GLN 298 Ca 0.45 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.85 2wvz h GLN 298 Cb 0.64 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 2wvz h GLN 298 CO -0.37 0.93 0.58 1.88 -0.67 0.00 0.00 178.83 181.18 2wvz h TYR 299 N 0.23 1.11 -0.10 2.96 0.05 -0.90 -1.02 116.97 119.29 2wvz h TYR 299 Ca 0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2wvz h TYR 299 Cb 0.87 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 2wvz h TYR 299 CO 0.09 0.68 -0.13 0.00 -1.05 0.00 0.00 178.16 177.74 2wvz h ARG 300 N 1.18 0.27 -0.58 4.88 3.08 -1.28 -0.98 114.38 120.95 2wvz h ARG 300 Ca 0.33 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.29 2wvz h ARG 300 Cb -0.10 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 2wvz h ARG 300 CO -0.08 0.71 0.28 1.15 -1.07 0.00 0.00 179.97 180.96 2wvz h THR 301 N -0.15 0.91 0.73 2.04 2.02 -1.15 -0.87 112.91 116.43 2wvz h THR 301 Ca 0.01 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2wvz h THR 301 Cb 0.68 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2wvz h THR 301 CO 0.03 0.10 -0.35 0.15 0.37 0.00 0.00 175.52 175.81 2wvz h PHE 302 N 0.52 -0.91 0.00 3.16 3.57 -1.07 -1.54 116.94 120.67 2wvz h PHE 302 Ca 0.27 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2wvz h PHE 302 Cb 0.22 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2wvz h PHE 302 CO -0.11 -0.55 -0.29 1.88 -2.23 0.00 0.00 178.31 177.01 2wvz h TYR 303 N -1.08 0.00 -0.56 0.41 0.05 -1.08 0.01 116.97 114.72 2wvz h TYR 303 Ca -0.10 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 2wvz h TYR 303 Cb 0.77 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 2wvz h TYR 303 CO -0.01 0.29 -0.06 0.77 -1.05 0.00 0.00 178.16 178.10 2wvz h SER 304 N 0.00 1.02 -0.29 3.88 0.02 -1.15 -0.81 113.55 116.23 2wvz h SER 304 Ca -0.00 -0.33 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 2wvz h SER 304 Cb 0.80 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2wvz h SER 304 CO 0.04 1.11 -0.22 0.00 -1.14 0.00 0.00 176.83 176.61 2wvz h LEU 306 N 0.67 0.57 -0.78 0.00 5.85 -0.99 -1.77 115.31 118.86 2wvz h LEU 306 Ca 0.09 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2wvz h LEU 306 Cb 0.73 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2wvz h LEU 306 CO 0.06 0.70 0.47 0.22 -0.34 0.00 0.00 178.44 179.55 2wvz h TYR 307 N 0.42 0.87 0.00 1.25 3.20 -0.96 0.15 116.97 121.89 2wvz h TYR 307 Ca 0.10 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2wvz h TYR 307 Cb 0.39 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2wvz h TYR 307 CO 0.03 0.44 -0.00 0.00 -1.64 0.00 0.00 178.16 176.98 2wvz h ARG 308 N 0.86 0.00 -0.61 1.82 2.47 -0.86 -2.13 114.38 115.93 2wvz h ARG 308 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2wvz h ARG 308 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2wvz h ARG 308 CO -0.17 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.79 2wvz n SER 309 N -3.09 3.53 -1.91 7.04 7.64 0.50 -3.66 113.62 123.68 2wvz n SER 309 Ca -0.01 -2.18 -0.02 0.00 1.01 0.00 0.00 58.87 57.67 2wvz n SER 309 Cb 0.19 -0.45 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 2wvz n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wvz n LEU 310 N 1.05 2.18 0.00 -3.43 4.77 -0.80 -4.82 117.00 115.95 2wvz n LEU 310 Ca 0.20 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.03 2wvz n LEU 310 Cb 0.62 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2wvz n LEU 310 CO 0.16 1.12 -0.40 0.18 -1.33 0.00 0.00 177.39 177.12 2wvz n LEU 311 N -0.36 2.16 -4.27 2.23 4.77 -1.26 -1.19 117.00 119.09 2wvz n LEU 311 Ca 0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 2wvz n LEU 311 Cb 0.92 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.88 2wvz n LEU 311 CO 0.08 0.36 -0.53 -0.36 -1.33 0.00 0.00 177.39 175.61 2wvz s PHE 312 N -1.80 1.87 0.69 -1.77 0.40 -1.26 -3.79 117.98 112.31 2wvz s PHE 312 Ca 0.00 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 2wvz s PHE 312 Cb 0.00 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.45 2wvz s PHE 312 CO 0.00 0.14 1.06 -1.25 0.70 0.00 0.00 175.22 175.86 2wvz s PRO 313 N -1.41 3.00 0.31 0.24 0.04 -1.26 -4.93 135.00 130.99 2wvz s PRO 313 Ca 0.08 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 2wvz s PRO 313 Cb -0.09 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2wvz s PRO 313 CO 0.03 -1.05 0.71 -0.98 0.04 0.00 0.00 177.00 175.75 2wvz s ARG 314 N -5.06 3.96 0.29 4.56 1.70 0.13 -4.76 118.95 119.77 2wvz s ARG 314 Ca 0.58 0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 56.15 2wvz s ARG 314 Cb -0.14 -2.46 -0.13 0.00 -0.57 0.00 0.00 34.95 31.65 2wvz s ARG 314 CO 0.55 0.17 1.27 1.63 -1.08 0.00 0.00 175.30 177.84 2wvz n LYS 315 N -0.37 1.90 -0.62 3.89 5.02 0.33 -1.86 118.16 126.45 2wvz n LYS 315 Ca 0.03 0.67 0.05 0.00 -2.02 0.00 0.00 58.31 57.04 2wvz n LYS 315 Cb 0.53 -2.24 0.09 0.00 -0.02 0.00 0.00 35.03 33.40 2wvz n LYS 315 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wvz n PHE 316 N 0.93 0.00 -4.39 2.13 7.35 0.16 -3.96 117.46 119.69 2wvz n PHE 316 Ca 0.09 -0.75 -0.21 0.00 -0.76 0.00 0.00 57.45 55.81 2wvz n PHE 316 Cb 0.33 -0.15 -0.10 0.00 0.35 0.00 0.00 39.48 39.91 2wvz n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2wvz s TYR 317 N -1.60 1.94 0.10 -5.13 -0.85 -1.21 -4.40 117.35 106.19 2wvz s TYR 317 Ca 0.26 -0.47 0.05 0.00 -0.52 0.00 0.00 57.07 56.38 2wvz s TYR 317 Cb 0.25 -0.88 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 2wvz s TYR 317 CO -0.04 0.48 -0.13 -1.21 -1.52 0.00 0.00 175.55 173.13 2wvz s GLU 318 N -3.48 0.90 -0.03 -3.49 2.02 0.31 -4.92 118.70 110.00 2wvz s GLU 318 Ca 0.24 -1.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 2wvz s GLU 318 Cb -0.03 -0.77 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 2wvz s GLU 318 CO 0.10 0.15 0.95 -0.51 0.02 0.00 0.00 175.26 175.97 2wvz s LEU 319 N -2.22 4.33 0.00 1.80 1.02 -1.26 0.51 118.68 122.86 2wvz s LEU 319 Ca 0.04 1.57 -0.15 0.00 0.02 0.00 0.00 54.13 55.61 2wvz s LEU 319 Cb -0.06 -3.51 0.22 0.00 0.02 0.00 0.00 46.19 42.86 2wvz s LEU 319 CO 0.02 -0.29 1.07 -0.90 0.02 0.00 0.00 176.35 176.28 2wvz n ASP 320 N 4.14 -0.59 0.28 2.29 5.68 0.34 -4.86 116.55 123.83 2wvz n ASP 320 Ca 0.06 -1.30 0.16 0.00 -0.50 0.00 0.00 54.79 53.21 2wvz n ASP 320 Cb 0.51 -0.87 0.77 0.00 -1.14 0.00 0.00 41.12 40.39 2wvz n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wvz h ALA 321 N -2.09 1.53 -0.71 2.12 0.00 -1.97 -1.54 119.26 116.60 2wvz h ALA 321 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wvz h ALA 321 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wvz h ALA 321 CO 0.25 -0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.16 2wvz n ASN 322 N -3.05 4.26 -0.16 0.00 3.02 -1.26 -4.92 115.26 113.15 2wvz n ASN 322 Ca 0.00 -2.16 -0.02 0.00 -0.03 0.00 0.00 54.58 52.37 2wvz n ASN 322 Cb 0.46 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.10 2wvz n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvz n GLY 323 N 1.47 0.51 3.71 7.41 0.00 -0.58 -5.01 105.19 112.70 2wvz n GLY 323 Ca 0.25 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2wvz n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvz s GLN 324 N -1.22 2.97 0.19 1.61 -1.52 -1.26 -4.83 119.66 115.60 2wvz s GLN 324 Ca 0.00 -0.45 -0.30 0.00 -1.95 0.00 0.00 55.36 52.66 2wvz s GLN 324 Cb 0.00 -2.79 -0.08 0.00 -0.22 0.00 0.00 33.01 29.91 2wvz s GLN 324 CO 0.00 0.68 1.25 -1.25 -0.25 0.00 0.00 175.29 175.73 2wvz s PRO 325 N -1.15 4.44 0.24 2.91 0.04 -1.26 -0.50 135.00 139.71 2wvz s PRO 325 Ca 0.16 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2wvz s PRO 325 Cb -0.11 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 2wvz s PRO 325 CO 0.06 -0.17 0.08 0.96 0.04 0.00 0.00 177.00 177.97 2wvz s ILE 326 N 0.04 0.56 -0.11 0.56 -4.36 0.18 -1.88 121.20 116.19 2wvz s ILE 326 Ca 0.55 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.70 2wvz s ILE 326 Cb -0.34 -2.56 0.06 0.00 1.25 0.00 0.00 42.46 40.87 2wvz s ILE 326 CO 0.37 -0.07 0.59 -1.38 0.24 0.00 0.00 174.94 174.69 2wvz s HIS 327 N -3.75 -0.57 0.36 1.37 -3.43 -0.81 0.11 115.29 108.56 2wvz s HIS 327 Ca 0.36 1.16 -0.27 0.00 -0.80 0.00 0.00 55.06 55.51 2wvz s HIS 327 Cb 0.08 0.28 -0.09 0.00 -1.43 0.00 0.00 32.58 31.42 2wvz s HIS 327 CO 0.12 -0.46 1.17 -0.47 -2.00 0.00 0.00 174.74 173.10 2wvz s TYR 328 N -0.65 3.20 -0.39 0.38 5.04 -1.26 -1.92 117.35 121.74 2wvz s TYR 328 Ca -0.07 1.57 -0.16 0.00 -2.44 0.00 0.00 57.07 55.96 2wvz s TYR 328 Cb -0.03 -3.40 0.01 0.00 0.35 0.00 0.00 41.96 38.89 2wvz s TYR 328 CO 0.06 -1.19 0.40 0.45 -1.34 0.00 0.00 175.55 173.92 2wvz s SER 329 N -0.98 6.19 0.00 4.32 0.15 0.38 -4.91 113.70 118.84 2wvz s SER 329 Ca 0.53 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.73 2wvz s SER 329 Cb -0.32 -2.21 0.32 0.00 -1.71 0.00 0.00 66.02 62.09 2wvz s SER 329 CO 0.41 -0.48 1.11 -0.81 1.20 0.00 0.00 173.24 174.67 2wvz n PRO 330 N 5.50 0.06 -0.12 5.44 -0.04 -1.26 -0.58 135.00 143.99 2wvz n PRO 330 Ca -0.08 0.28 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 2wvz n PRO 330 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2wvz n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wvz n TYR 331 N -1.36 0.19 0.01 0.54 4.01 -1.26 -3.87 117.16 115.43 2wvz n TYR 331 Ca 0.03 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2wvz n TYR 331 Cb 0.06 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.07 2wvz n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wvz n ASN 332 N -3.96 0.68 0.00 7.72 0.23 -1.15 -4.86 115.26 113.92 2wvz n ASN 332 Ca -0.49 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 2wvz n ASN 332 Cb 0.90 0.34 0.00 0.00 -2.08 0.00 0.00 39.78 38.95 2wvz n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wvz n GLY 333 N 0.36 0.48 3.99 4.83 0.00 0.25 -5.01 105.19 110.09 2wvz n GLY 333 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2wvz n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvz s GLN 334 N -0.37 2.51 -0.21 1.61 -0.21 -1.26 -4.78 119.66 116.95 2wvz s GLN 334 Ca 0.00 -0.97 -0.06 0.00 0.02 0.00 0.00 55.36 54.36 2wvz s GLN 334 Cb 0.00 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.44 2wvz s GLN 334 CO 0.00 -0.69 0.02 0.08 -2.12 0.00 0.00 175.29 172.57 2wvz s VAL 335 N -2.70 4.03 0.12 1.09 1.01 -1.26 -0.47 120.40 122.22 2wvz s VAL 335 Ca 0.58 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2wvz s VAL 335 Cb -0.10 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2wvz s VAL 335 CO 0.38 0.41 -0.06 -0.76 0.00 0.00 0.00 175.10 175.07 2wvz s LEU 336 N 1.14 2.43 0.76 3.92 1.43 -0.81 -4.96 118.68 122.59 2wvz s LEU 336 Ca 0.03 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 2wvz s LEU 336 Cb -0.14 -0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.02 2wvz s LEU 336 CO 0.02 -0.47 1.08 -2.84 0.23 0.00 0.00 176.35 174.36 2wvz s PRO 337 N -3.84 2.42 0.00 1.29 0.02 -1.26 -1.92 135.00 131.70 2wvz s PRO 337 Ca 0.15 0.85 0.00 0.00 0.02 0.00 0.00 61.00 62.02 2wvz s PRO 337 Cb 0.05 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2wvz s PRO 337 CO -0.02 -1.44 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 2wvz n GLY 338 N -1.87 0.28 3.82 0.52 0.00 -0.79 -4.81 105.19 102.35 2wvz n GLY 338 Ca 0.07 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 2wvz n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvz s TYR 339 N -1.41 3.22 -0.24 1.61 2.02 -1.26 -4.21 117.35 117.08 2wvz s TYR 339 Ca 0.00 1.47 -0.18 0.00 -0.37 0.00 0.00 57.07 58.00 2wvz s TYR 339 Cb 0.00 -2.90 0.07 0.00 -0.40 0.00 0.00 41.96 38.73 2wvz s TYR 339 CO 0.00 -0.80 0.62 1.41 -1.57 0.00 0.00 175.55 175.21 2wvz s MET 340 N -4.21 0.67 0.20 -0.62 -2.45 -1.26 -4.14 119.30 107.49 2wvz s MET 340 Ca 0.61 1.00 0.03 0.00 -1.25 0.00 0.00 55.69 56.07 2wvz s MET 340 Cb -0.13 0.21 -0.05 0.00 1.25 0.00 0.00 34.83 36.12 2wvz s MET 340 CO 0.37 -0.12 -0.00 -0.06 1.05 0.00 0.00 175.02 176.26 2wvz s PHE 341 N 1.00 1.36 0.04 4.11 0.40 -1.26 0.41 117.98 124.03 2wvz s PHE 341 Ca -0.05 -0.98 -0.04 0.00 -0.60 0.00 0.00 56.93 55.26 2wvz s PHE 341 Cb -0.05 -0.78 0.01 0.00 0.51 0.00 0.00 43.02 42.71 2wvz s PHE 341 CO -0.09 -0.14 0.18 -2.37 0.70 0.00 0.00 175.22 173.50 2wvz n THR 342 N -0.32 0.00 -2.94 0.64 5.66 -0.78 -4.87 114.28 111.67 2wvz n THR 342 Ca -0.06 -0.11 -0.02 0.00 -3.05 0.00 0.00 64.05 60.81 2wvz n THR 342 Cb 0.63 0.15 0.01 0.00 -1.55 0.00 0.00 70.33 69.57 2wvz n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2wvz n ASP 343 N -0.74 -7.15 -3.53 1.09 8.00 0.03 0.19 116.55 114.44 2wvz n ASP 343 Ca -0.01 -0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 2wvz n ASP 343 Cb 0.11 -4.91 -0.05 0.00 -0.02 0.00 0.00 41.12 36.25 2wvz n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wvz s THR 344 N -3.05 0.00 -0.24 -3.53 -1.32 -1.13 -4.36 115.64 102.01 2wvz s THR 344 Ca 0.06 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2wvz s THR 344 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 2wvz s THR 344 CO 0.68 0.00 -0.05 -0.83 -2.21 0.00 0.00 174.62 172.21 2wvz s GLY 345 N -1.51 1.62 0.47 6.08 0.00 -1.26 -2.34 107.32 110.38 2wvz s GLY 345 Ca -0.04 -1.36 0.14 0.00 0.00 0.00 0.00 44.72 43.46 2wvz s GLY 345 CO 0.02 0.49 2.07 0.74 0.00 0.00 0.00 173.10 176.41 2wvz h PHE 346 N 8.06 0.25 -1.02 1.90 0.04 -1.61 0.23 116.94 124.78 2wvz h PHE 346 Ca -0.36 0.01 0.27 0.00 2.80 0.00 0.00 57.97 60.68 2wvz h PHE 346 Cb 1.13 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 39.07 2wvz h PHE 346 CO 0.57 0.14 0.62 2.35 -0.60 0.00 0.00 178.31 181.40 2wvz h TRP 347 N 0.26 0.90 0.06 -0.55 7.01 -1.82 0.33 115.95 122.14 2wvz h TRP 347 Ca 0.13 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.05 2wvz h TRP 347 Cb 0.21 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 2wvz h TRP 347 CO -0.00 0.02 -0.57 -0.44 -2.79 0.00 0.00 178.44 174.67 2wvz h ASP 348 N 0.49 0.20 0.05 2.65 3.45 -1.40 -3.44 116.42 118.42 2wvz h ASP 348 Ca 0.65 -0.91 0.00 0.00 0.43 0.00 0.00 57.03 57.20 2wvz h ASP 348 Cb 1.40 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 2wvz h ASP 348 CO -0.45 1.25 -0.44 0.35 -1.57 0.00 0.00 179.24 178.39 2wvz n THR 349 N -4.35 0.00 0.14 0.35 -2.24 -0.12 -3.42 114.28 104.64 2wvz n THR 349 Ca -0.15 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.44 2wvz n THR 349 Cb 0.66 1.04 0.43 0.00 -2.10 0.00 0.00 70.33 70.36 2wvz n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2wvz h PHE 350 N 2.07 0.20 0.33 4.78 -0.00 -1.27 -1.87 116.94 121.19 2wvz h PHE 350 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.94 2wvz h PHE 350 Cb 0.69 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.57 2wvz h PHE 350 CO 0.00 0.31 -0.22 0.00 -0.00 0.00 0.00 178.31 178.39 2wvz h ARG 351 N 0.19 -0.52 0.00 6.09 3.08 -1.80 -3.42 114.38 118.00 2wvz h ARG 351 Ca 0.04 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wvz h ARG 351 Cb 0.31 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2wvz h ARG 351 CO 0.02 -0.35 0.00 0.00 -1.07 0.00 0.00 179.97 178.57 2wvz h LEU 353 N 0.00 -0.20 -1.19 0.00 7.12 -1.80 -1.21 115.31 118.03 2wvz h LEU 353 Ca 0.00 -0.33 -0.03 0.00 0.13 0.00 0.00 57.88 57.65 2wvz h LEU 353 Cb 0.27 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 2wvz h LEU 353 CO 0.00 0.31 0.22 -0.26 -0.13 0.00 0.00 178.44 178.58 2wvz h PHE 354 N -0.81 0.79 -0.31 1.25 0.04 -1.61 -1.72 116.94 114.58 2wvz h PHE 354 Ca -0.02 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 2wvz h PHE 354 Cb 0.52 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2wvz h PHE 354 CO 0.07 0.61 0.02 -1.35 -0.60 0.00 0.00 178.31 177.06 2wvz h PRO 355 N 0.78 0.46 -0.69 1.51 0.11 -1.79 -0.04 132.00 132.34 2wvz h PRO 355 Ca 0.19 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.22 2wvz h PRO 355 Cb 0.15 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2wvz h PRO 355 CO -0.02 0.48 0.46 1.25 -0.21 0.00 0.00 178.00 179.96 2wvz h LEU 356 N 0.45 0.80 -0.35 2.35 5.85 -0.31 -0.91 115.31 123.20 2wvz h LEU 356 Ca 0.10 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2wvz h LEU 356 Cb 0.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2wvz h LEU 356 CO 0.01 0.58 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.48 2wvz h LEU 357 N 0.94 0.72 -1.92 2.25 3.38 -0.65 0.13 115.31 120.17 2wvz h LEU 357 Ca 0.25 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2wvz h LEU 357 Cb -0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 2wvz h LEU 357 CO -0.05 0.95 -0.06 0.78 0.09 0.00 0.00 178.44 180.15 2wvz h ASN 358 N 0.49 0.00 0.15 -0.43 -0.26 -0.46 0.71 115.58 115.78 2wvz h ASN 358 Ca 0.08 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.51 2wvz h ASN 358 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 2wvz h ASN 358 CO 0.04 0.06 -1.55 0.25 -1.06 0.00 0.00 177.43 175.17 2wvz h LEU 359 N 0.00 0.50 0.00 1.61 5.85 -0.70 -3.40 115.31 119.18 2wvz h LEU 359 Ca -0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 2wvz h LEU 359 Cb 0.11 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2wvz h LEU 359 CO 0.01 1.69 -1.20 0.23 -0.34 0.00 0.00 178.44 178.83 2wvz n MET 360 N -3.78 0.35 -2.73 1.25 2.81 -0.01 -4.78 117.12 110.24 2wvz n MET 360 Ca -0.24 -0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.47 2wvz n MET 360 Cb 0.98 -1.11 0.02 0.00 -0.71 0.00 0.00 33.22 32.40 2wvz n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2wvz n TYR 361 N -1.66 1.32 -0.28 2.03 4.01 0.23 -4.52 117.16 118.29 2wvz n TYR 361 Ca -0.01 -3.02 -0.01 0.00 -0.16 0.00 0.00 57.90 54.70 2wvz n TYR 361 Cb 0.13 -0.36 0.18 0.00 -0.31 0.00 0.00 39.34 38.99 2wvz n TYR 361 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2wvz h PRO 362 N 2.95 1.12 -0.63 -0.72 0.11 -1.26 -1.25 132.00 132.32 2wvz h PRO 362 Ca -0.02 -0.09 0.18 0.00 0.11 0.00 0.00 66.00 66.19 2wvz h PRO 362 Cb 1.10 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2wvz h PRO 362 CO 0.55 0.77 0.50 0.66 -0.21 0.00 0.00 178.00 180.26 2wvz h SER 363 N 1.14 0.00 0.13 -2.05 4.64 -1.92 0.59 113.55 116.09 2wvz h SER 363 Ca 0.30 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.31 2wvz h SER 363 Cb -0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2wvz h SER 363 CO -0.06 0.00 -1.58 0.58 -0.87 0.00 0.00 176.83 174.90 2wvz h VAL 364 N 0.00 0.94 0.00 0.95 2.07 -1.59 -3.28 116.25 115.35 2wvz h VAL 364 Ca 0.30 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 2wvz h VAL 364 Cb 1.29 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 33.74 2wvz h VAL 364 CO -0.00 0.76 -0.07 -1.13 0.02 0.00 0.00 177.57 177.15 2wvz h ASN 365 N -0.16 0.00 0.20 0.57 -1.24 -0.78 -1.84 115.58 112.33 2wvz h ASN 365 Ca -0.33 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.69 2wvz h ASN 365 Cb 1.88 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.89 2wvz h ASN 365 CO 0.09 0.07 -0.38 0.50 -1.29 0.00 0.00 177.43 176.42 2wvz h LYS 366 N 0.00 -0.64 -0.53 6.67 1.63 -1.00 0.34 116.57 123.04 2wvz h LYS 366 Ca -0.00 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 2wvz h LYS 366 Cb 0.17 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 2wvz h LYS 366 CO 0.01 -0.43 0.20 0.93 -3.45 0.00 0.00 179.45 176.71 2wvz h GLU 367 N -0.66 0.38 -0.80 1.90 5.08 -1.41 0.18 114.58 119.25 2wvz h GLU 367 Ca 0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2wvz h GLU 367 Cb 0.66 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2wvz h GLU 367 CO -0.18 0.25 0.39 0.52 -1.00 0.00 0.00 179.01 178.99 2wvz h MET 368 N 0.39 1.14 -0.13 2.33 2.86 -0.90 0.56 114.93 121.17 2wvz h MET 368 Ca 0.26 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wvz h MET 368 Cb 0.28 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2wvz h MET 368 CO -0.25 0.87 0.03 1.96 1.06 0.00 0.00 176.91 180.58 2wvz h GLN 369 N 1.13 0.22 -0.92 1.72 1.08 0.34 0.32 115.11 118.99 2wvz h GLN 369 Ca 0.28 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.54 2wvz h GLN 369 Cb 0.10 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.42 2wvz h GLN 369 CO -0.04 0.38 0.55 0.93 -0.95 0.00 0.00 178.83 179.70 2wvz h GLU 370 N 0.02 0.85 -0.72 1.46 4.39 -0.07 0.74 114.58 121.24 2wvz h GLU 370 Ca 0.04 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.80 2wvz h GLU 370 Cb 0.26 -0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 28.64 2wvz h GLU 370 CO 0.00 0.56 0.34 0.78 -1.16 0.00 0.00 179.01 179.53 2wvz h GLY 371 N 0.87 1.08 1.71 -3.84 0.00 0.12 -2.48 103.07 100.54 2wvz h GLY 371 Ca 0.46 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.48 2wvz h GLY 371 CO -0.27 0.01 -0.38 1.41 0.00 0.00 0.00 176.54 177.31 2wvz h LEU 372 N 0.56 0.34 -0.24 3.11 3.38 0.20 -1.77 115.31 120.88 2wvz h LEU 372 Ca 0.37 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2wvz h LEU 372 Cb 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wvz h LEU 372 CO -0.31 0.69 0.15 0.40 0.09 0.00 0.00 178.44 179.47 2wvz h ILE 373 N 0.27 1.05 -0.94 1.22 1.08 -0.94 -0.84 117.51 118.42 2wvz h ILE 373 Ca 0.03 -0.11 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 2wvz h ILE 373 Cb 0.80 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 2wvz h ILE 373 CO 0.06 0.06 0.61 0.78 -0.69 0.00 0.00 178.15 178.97 2wvz h ASN 374 N 0.31 0.94 -0.64 1.72 -0.26 -1.25 0.95 115.58 117.36 2wvz h ASN 374 Ca 0.09 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2wvz h ASN 374 Cb -0.02 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.01 2wvz h ASN 374 CO -0.03 0.60 0.42 0.74 -1.06 0.00 0.00 177.43 178.10 2wvz h THR 375 N 1.07 1.15 0.06 2.81 2.02 -0.54 0.36 112.91 119.84 2wvz h THR 375 Ca 0.41 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 2wvz h THR 375 Cb 0.21 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2wvz h THR 375 CO -0.16 0.15 -0.03 0.22 0.37 0.00 0.00 175.52 176.07 2wvz h TYR 376 N 0.85 -0.08 -0.87 3.16 3.20 -0.54 -1.41 116.97 121.28 2wvz h TYR 376 Ca 0.24 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.18 2wvz h TYR 376 Cb -0.08 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 2wvz h TYR 376 CO -0.03 0.20 0.57 -0.07 -1.64 0.00 0.00 178.16 177.18 2wvz h LEU 377 N -0.36 0.83 0.00 2.82 3.38 -0.48 0.33 115.31 121.84 2wvz h LEU 377 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wvz h LEU 377 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wvz h LEU 377 CO 0.01 0.52 -0.84 -0.33 0.09 0.00 0.00 178.44 177.90 2wvz h GLU 378 N 0.94 0.00 0.00 1.13 5.08 -0.21 -3.39 114.58 118.13 2wvz h GLU 378 Ca 0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2wvz h GLU 378 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wvz h GLU 378 CO -0.15 0.00 -1.07 -1.13 -1.00 0.00 0.00 179.01 175.67 2wvz n SER 379 N -2.74 4.74 0.00 1.42 3.41 -0.54 -4.33 113.62 115.59 2wvz n SER 379 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2wvz n SER 379 Cb 0.55 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 2wvz n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvz n GLY 380 N 2.82 1.51 3.05 5.00 0.00 0.11 -5.06 105.19 112.62 2wvz n GLY 380 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2wvz n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvz s PHE 381 N -2.36 0.49 0.53 1.61 0.40 -1.24 -4.98 117.98 112.43 2wvz s PHE 381 Ca 0.00 -0.76 -0.18 0.00 -0.60 0.00 0.00 56.93 55.39 2wvz s PHE 381 Cb 0.00 -0.33 -0.07 0.00 0.51 0.00 0.00 43.02 43.13 2wvz s PHE 381 CO 0.00 -0.23 1.04 -0.06 0.70 0.00 0.00 175.22 176.67 2wvz s PHE 382 N -2.57 3.02 0.49 0.36 0.08 -1.26 -3.43 117.98 114.67 2wvz s PHE 382 Ca -0.04 1.54 -0.16 0.00 0.12 0.00 0.00 56.93 58.40 2wvz s PHE 382 Cb -0.02 -3.02 -0.08 0.00 -0.57 0.00 0.00 43.02 39.33 2wvz s PHE 382 CO -0.04 -0.91 0.95 -1.25 -0.10 0.00 0.00 175.22 173.87 2wvz s PRO 383 N -3.62 3.94 0.00 0.24 0.04 -1.26 -4.55 135.00 129.80 2wvz s PRO 383 Ca 0.65 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2wvz s PRO 383 Cb -0.16 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2wvz s PRO 383 CO 0.27 -0.22 0.00 0.39 0.04 0.00 0.00 177.00 177.48 2wvz n GLU 384 N -1.48 0.00 -4.12 4.56 -0.58 -1.26 -4.56 120.64 113.21 2wvz n GLU 384 Ca 0.06 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.46 2wvz n GLU 384 Cb 0.54 -0.40 -0.11 0.00 -0.57 0.00 0.00 31.44 30.90 2wvz n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2wvz s TRP 385 N -0.94 3.16 -0.06 -0.32 -0.00 -1.26 -1.51 118.94 118.01 2wvz s TRP 385 Ca 0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 56.10 56.01 2wvz s TRP 385 Cb 0.00 -2.05 0.02 0.00 -0.00 0.00 0.00 33.47 31.44 2wvz s TRP 385 CO 0.00 0.04 -0.07 0.00 -0.00 0.00 0.00 176.95 176.92 2wvz s ALA 386 N 0.50 0.90 -0.35 5.86 0.00 -0.99 -1.89 121.76 125.78 2wvz s ALA 386 Ca 0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 2wvz s ALA 386 Cb -0.13 -0.52 0.19 0.00 0.00 0.00 0.00 23.12 22.66 2wvz s ALA 386 CO 0.02 -0.04 0.98 0.45 0.00 0.00 0.00 175.76 177.16 2wvz s SER 387 N 0.97 -0.56 0.29 0.00 0.15 -1.26 -0.79 113.70 112.50 2wvz s SER 387 Ca -0.10 -0.34 0.17 0.00 0.70 0.00 0.00 55.95 56.38 2wvz s SER 387 Cb -0.14 0.72 0.11 0.00 -1.71 0.00 0.00 66.02 64.99 2wvz s SER 387 CO 0.00 -0.05 1.40 1.55 1.20 0.00 0.00 173.24 177.34 2wvz h PRO 388 N 5.50 0.00 0.00 5.44 0.13 -1.76 -3.43 132.00 137.89 2wvz h PRO 388 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2wvz h PRO 388 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wvz h PRO 388 CO -0.05 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 2wvz n GLY 389 N 1.21 2.93 3.65 1.56 0.00 0.57 -4.67 105.19 110.45 2wvz n GLY 389 Ca 0.01 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2wvz n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wvz s HIS 390 N 1.44 1.56 0.07 1.61 3.76 -1.26 -4.25 115.29 118.22 2wvz s HIS 390 Ca 0.00 -0.10 0.09 0.00 -0.15 0.00 0.00 55.06 54.90 2wvz s HIS 390 Cb 0.00 -4.09 -0.03 0.00 1.11 0.00 0.00 32.58 29.57 2wvz s HIS 390 CO 0.00 -4.71 -0.25 1.03 -0.85 0.00 0.00 174.74 169.97 2wvz s ARG 391 N 4.47 1.53 -0.61 1.40 1.81 -0.79 -4.48 118.95 122.26 2wvz s ARG 391 Ca 0.83 -1.14 -0.23 0.00 -1.72 0.00 0.00 55.73 53.47 2wvz s ARG 391 Cb -0.38 -1.78 0.06 0.00 -0.45 0.00 0.00 34.95 32.40 2wvz s ARG 391 CO 0.36 0.44 0.94 0.20 -0.68 0.00 0.00 175.30 176.57 2wvz s GLY 392 N -1.50 1.40 -0.28 -3.53 0.00 -1.26 -4.38 107.32 97.76 2wvz s GLY 392 Ca 0.11 -1.61 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 2wvz s GLY 392 CO 0.03 2.04 0.68 0.00 0.00 0.00 0.00 173.10 175.85 2wvz n MET 394 N 4.33 0.00 -3.41 0.00 2.81 -1.26 -4.66 117.12 114.93 2wvz n MET 394 Ca -0.20 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.57 2wvz n MET 394 Cb 0.59 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.06 2wvz n MET 394 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wvz n VAL 395 N -0.31 0.00 0.00 2.03 0.24 -1.26 -4.74 118.33 114.29 2wvz n VAL 395 Ca 0.00 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 2wvz n VAL 395 Cb 0.00 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 2wvz n VAL 395 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wvz n GLY 396 N -0.43 -0.38 2.43 7.63 0.00 -1.26 -4.65 105.19 108.53 2wvz n GLY 396 Ca 0.02 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 2wvz n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wvz n ASN 397 N -1.00 3.41 0.00 1.61 4.05 -1.26 -4.86 115.26 117.21 2wvz n ASN 397 Ca 0.00 -3.07 0.11 0.00 0.45 0.00 0.00 54.58 52.07 2wvz n ASN 397 Cb 0.00 -0.43 0.55 0.00 1.23 0.00 0.00 39.78 41.14 2wvz n ASN 397 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2wvz n ASN 398 N -0.56 0.00 -0.35 1.20 4.13 -1.26 -1.83 115.26 116.58 2wvz n ASN 398 Ca 0.27 0.18 0.27 0.00 1.68 0.00 0.00 54.58 56.99 2wvz n ASN 398 Cb 0.85 -0.38 0.56 0.00 -1.54 0.00 0.00 39.78 39.28 2wvz n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2wvz h SER 399 N 0.00 0.36 -0.52 6.41 4.64 -1.90 0.98 113.55 123.51 2wvz h SER 399 Ca 0.00 0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.47 2wvz h SER 399 Cb 0.30 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 2wvz h SER 399 CO 0.00 0.01 0.22 0.00 -0.87 0.00 0.00 176.83 176.19 2wvz h ALA 400 N 1.60 0.66 -0.49 5.18 0.00 -1.73 0.22 119.26 124.70 2wvz h ALA 400 Ca 0.65 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.55 2wvz h ALA 400 Cb 1.84 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2wvz h ALA 400 CO -0.31 -0.16 0.08 1.03 0.00 0.00 0.00 179.25 179.89 2wvz h SER 401 N 0.43 0.78 0.32 0.00 0.87 -1.05 -0.95 113.55 113.94 2wvz h SER 401 Ca 0.24 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2wvz h SER 401 Cb 0.23 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2wvz h SER 401 CO -0.22 0.84 -0.17 0.40 -0.53 0.00 0.00 176.83 177.15 2wvz h ILE 402 N 0.69 0.65 -0.49 2.23 1.08 -0.33 0.22 117.51 121.56 2wvz h ILE 402 Ca 0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 2wvz h ILE 402 Cb 0.39 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 2wvz h ILE 402 CO 0.01 0.00 0.27 -0.07 -0.69 0.00 0.00 178.15 177.67 2wvz h LEU 403 N -0.46 0.43 -0.07 1.44 3.38 -0.58 -2.85 115.31 116.60 2wvz h LEU 403 Ca -0.04 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 2wvz h LEU 403 Cb 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wvz h LEU 403 CO 0.06 0.30 -1.05 0.58 0.09 0.00 0.00 178.44 178.41 2wvz h VAL 404 N 0.54 1.44 -0.34 1.22 2.07 -0.98 -2.22 116.25 117.98 2wvz h VAL 404 Ca 0.20 -2.67 -0.09 0.00 0.82 0.00 0.00 66.70 64.96 2wvz h VAL 404 Cb 0.06 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 2wvz h VAL 404 CO -0.11 0.79 -0.18 -0.78 0.02 0.00 0.00 177.57 177.31 2wvz h ASP 405 N 0.17 0.61 0.44 0.57 3.58 -0.56 -1.68 116.42 119.55 2wvz h ASP 405 Ca -0.10 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 2wvz h ASP 405 Cb 1.72 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.61 2wvz h ASP 405 CO 0.18 0.80 -0.21 0.00 -2.88 0.00 0.00 179.24 177.12 2wvz h ALA 406 N 1.26 -0.59 -0.21 -0.78 0.00 -1.39 -2.06 119.26 115.49 2wvz h ALA 406 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wvz h ALA 406 Cb 0.61 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2wvz h ALA 406 CO 0.04 -0.78 -0.19 -0.92 0.00 0.00 0.00 179.25 177.41 2wvz h TYR 407 N -0.70 -0.48 0.00 0.00 5.03 -1.20 -0.80 116.97 118.81 2wvz h TYR 407 Ca -0.06 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 2wvz h TYR 407 Cb 0.51 0.24 -0.00 0.00 1.55 0.00 0.00 36.73 39.03 2wvz h TYR 407 CO -0.02 -0.26 -0.03 0.52 -1.32 0.00 0.00 178.16 177.05 2wvz h MET 408 N -0.20 0.00 -0.54 1.82 2.86 -1.33 -1.89 114.93 115.65 2wvz h MET 408 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2wvz h MET 408 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2wvz h MET 408 CO -0.32 0.03 0.00 1.63 1.06 0.00 0.00 176.91 179.31 2wvz n LYS 409 N -3.63 4.21 -0.45 1.72 5.02 -0.58 -4.92 118.16 119.54 2wvz n LYS 409 Ca -0.03 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.25 2wvz n LYS 409 Cb 0.12 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 2wvz n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvz n GLY 410 N 0.58 0.77 3.19 0.72 0.00 -0.71 -4.98 105.19 104.76 2wvz n GLY 410 Ca 0.26 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2wvz n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvz s VAL 411 N -2.00 4.48 -0.18 1.61 1.01 -0.41 -5.02 120.40 119.89 2wvz s VAL 411 Ca 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 61.98 59.22 2wvz s VAL 411 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2wvz s VAL 411 CO 0.00 -0.93 -0.02 -0.54 0.00 0.00 0.00 175.10 173.61 2wvz s LYS 412 N 0.09 3.63 0.81 2.72 1.02 -1.26 -3.19 119.74 123.56 2wvz s LYS 412 Ca 0.17 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 2wvz s LYS 412 Cb -0.17 -3.00 0.08 0.00 -0.52 0.00 0.00 37.83 34.22 2wvz s LYS 412 CO -0.05 0.10 1.15 0.14 -0.92 0.00 0.00 175.35 175.77 2wvz s VAL 413 N 0.74 2.52 -0.01 3.17 -7.23 -1.26 -4.95 120.40 113.39 2wvz s VAL 413 Ca -0.01 0.20 -0.25 0.00 -1.81 0.00 0.00 61.98 60.12 2wvz s VAL 413 Cb -0.14 -2.53 -0.18 0.00 0.56 0.00 0.00 36.38 34.09 2wvz s VAL 413 CO 0.02 -0.19 1.21 0.44 -0.31 0.00 0.00 175.10 176.27 2wvz h ASP 414 N -1.07 -0.17 -1.17 4.85 3.32 -1.97 -3.38 116.42 116.82 2wvz h ASP 414 Ca -0.45 -0.31 -0.72 0.00 0.02 0.00 0.00 57.03 55.57 2wvz h ASP 414 Cb 1.27 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 40.75 2wvz h ASP 414 CO 0.47 0.25 2.12 -0.67 -1.72 0.00 0.00 179.24 179.69 2wvz n ASP 415 N -4.99 4.83 0.08 6.45 -0.08 -1.26 -4.76 116.55 116.82 2wvz n ASP 415 Ca -0.09 -2.96 0.01 0.00 -1.51 0.00 0.00 54.79 50.24 2wvz n ASP 415 Cb 0.24 -1.62 0.34 0.00 2.34 0.00 0.00 41.12 42.43 2wvz n ASP 415 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2wvz h ILE 416 N 4.60 1.19 -0.30 5.18 2.04 -1.99 -1.12 117.51 127.10 2wvz h ILE 416 Ca 0.43 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.51 2wvz h ILE 416 Cb 0.77 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2wvz h ILE 416 CO 1.52 0.27 -0.11 0.50 0.00 0.00 0.00 178.15 180.34 2wvz h LYS 417 N 0.32 -0.04 -0.53 2.37 3.64 -1.97 0.67 116.57 121.01 2wvz h LYS 417 Ca 0.06 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2wvz h LYS 417 Cb 0.40 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2wvz h LYS 417 CO 0.02 -0.03 -0.10 1.15 -2.27 0.00 0.00 179.45 178.23 2wvz h THR 418 N -0.04 1.27 0.03 1.00 2.02 -1.87 -0.29 112.91 115.03 2wvz h THR 418 Ca 0.15 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2wvz h THR 418 Cb 0.27 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2wvz h THR 418 CO -0.34 0.44 -0.53 0.25 0.37 0.00 0.00 175.52 175.71 2wvz h LEU 419 N 0.88 -1.63 -0.13 2.58 5.85 -0.53 0.71 115.31 123.04 2wvz h LEU 419 Ca 0.14 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2wvz h LEU 419 Cb 0.66 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2wvz h LEU 419 CO 0.05 -0.53 0.08 0.22 -0.34 0.00 0.00 178.44 177.91 2wvz h TYR 420 N -0.69 0.17 -0.45 1.25 3.20 -0.84 -2.04 116.97 117.57 2wvz h TYR 420 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2wvz h TYR 420 Cb 0.73 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2wvz h TYR 420 CO -0.50 0.17 0.21 0.93 -1.64 0.00 0.00 178.16 177.32 2wvz h GLU 421 N 0.13 0.62 -0.41 1.82 5.08 -0.81 -2.04 114.58 118.97 2wvz h GLU 421 Ca 0.05 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2wvz h GLU 421 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2wvz h GLU 421 CO -0.01 0.49 0.24 0.78 -1.00 0.00 0.00 179.01 179.51 2wvz h GLY 422 N 0.74 0.58 0.97 -3.84 0.00 0.84 -1.20 103.07 101.16 2wvz h GLY 422 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2wvz h GLY 422 CO -0.02 0.15 0.14 1.41 0.00 0.00 0.00 176.54 178.23 2wvz h LEU 423 N 0.49 0.72 -0.83 3.11 3.38 -0.69 -2.38 115.31 119.11 2wvz h LEU 423 Ca 0.17 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2wvz h LEU 423 Cb 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wvz h LEU 423 CO -0.08 0.75 0.03 0.40 0.09 0.00 0.00 178.44 179.62 2wvz h ILE 424 N 0.66 1.25 -0.77 1.22 1.08 -1.30 -2.46 117.51 117.19 2wvz h ILE 424 Ca 0.16 -1.03 0.10 0.00 -0.39 0.00 0.00 64.86 63.70 2wvz h ILE 424 Cb 0.29 0.80 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 2wvz h ILE 424 CO -0.00 0.37 0.41 -0.74 -0.69 0.00 0.00 178.15 177.50 2wvz h HIS 425 N 0.84 0.73 0.00 1.37 2.76 -0.82 -2.36 115.15 117.67 2wvz h HIS 425 Ca 0.16 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 2wvz h HIS 425 Cb 0.46 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 2wvz h HIS 425 CO 0.03 0.26 -0.08 0.78 -1.30 0.00 0.00 177.93 177.62 2wvz h GLY 426 N 0.67 0.00 2.00 5.26 0.00 -0.96 -2.72 103.07 107.32 2wvz h GLY 426 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2wvz h GLY 426 CO -0.28 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.96 2wvz n THR 427 N -3.33 0.62 -2.19 4.70 -2.24 -0.89 -3.51 114.28 107.43 2wvz n THR 427 Ca -0.01 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2wvz n THR 427 Cb 0.26 -0.81 0.02 0.00 -2.10 0.00 0.00 70.33 67.70 2wvz n THR 427 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wvz n GLU 428 N -1.99 0.11 -3.86 -0.78 0.28 -1.05 -4.88 120.64 108.48 2wvz n GLU 428 Ca 0.04 -1.64 -0.12 0.00 -0.16 0.00 0.00 57.16 55.29 2wvz n GLU 428 Cb 0.31 -0.34 -0.11 0.00 1.43 0.00 0.00 31.44 32.74 2wvz n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2wvz s ASN 429 N -1.64 -0.03 0.06 -1.84 0.01 -1.07 -5.03 114.94 105.39 2wvz s ASN 429 Ca 0.19 -0.03 0.09 0.00 -0.71 0.00 0.00 52.86 52.40 2wvz s ASN 429 Cb 0.21 0.24 -0.03 0.00 0.41 0.00 0.00 41.25 42.09 2wvz s ASN 429 CO -0.08 -0.25 -0.23 0.54 -1.51 0.00 0.00 177.10 175.56 2wvz s VAL 430 N -0.85 2.40 0.30 1.60 0.11 -1.26 -0.35 120.40 122.35 2wvz s VAL 430 Ca -0.09 -1.39 -0.30 0.00 -2.93 0.00 0.00 61.98 57.27 2wvz s VAL 430 Cb -0.05 -1.99 -0.11 0.00 -1.53 0.00 0.00 36.38 32.70 2wvz s VAL 430 CO 0.01 0.30 1.54 -2.28 -3.33 0.00 0.00 175.10 171.35 2wvz s HIS 431 N -0.90 2.77 -0.06 1.54 2.46 -0.05 -4.90 115.29 116.15 2wvz s HIS 431 Ca 0.13 0.90 0.31 0.00 0.47 0.00 0.00 55.06 56.88 2wvz s HIS 431 Cb -0.10 -4.01 1.21 0.00 -0.13 0.00 0.00 32.58 29.55 2wvz s HIS 431 CO 0.04 -3.30 1.90 -1.00 -2.47 0.00 0.00 174.74 169.92 2wvz h PRO 432 N 4.50 0.00 0.00 2.88 0.14 -1.99 -3.23 132.00 134.30 2wvz h PRO 432 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 2wvz h PRO 432 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.36 2wvz h PRO 432 CO 0.76 0.00 0.00 -0.85 0.14 0.00 0.00 178.00 178.05 2wvz n GLU 433 N -2.92 0.10 -3.78 0.86 0.00 -1.26 -4.94 120.64 108.71 2wvz n GLU 433 Ca 0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 57.16 56.45 2wvz n GLU 433 Cb 0.31 -0.70 -0.14 0.00 0.00 0.00 0.00 31.44 30.91 2wvz n GLU 433 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2wvz s VAL 434 N -0.13 1.48 0.42 3.84 1.01 -1.22 -4.96 120.40 120.85 2wvz s VAL 434 Ca 0.00 -2.31 0.38 0.00 0.00 0.00 0.00 61.98 60.06 2wvz s VAL 434 Cb 0.00 -2.06 0.38 0.00 0.00 0.00 0.00 36.38 34.70 2wvz s VAL 434 CO 0.00 -0.80 2.17 0.77 0.00 0.00 0.00 175.10 177.25 2wvz h SER 435 N 7.16 0.00 -0.29 3.32 4.64 -1.93 -0.63 113.55 125.83 2wvz h SER 435 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2wvz h SER 435 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2wvz h SER 435 CO 0.50 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92 2wvz n SER 436 N -2.85 2.79 -4.55 4.97 3.41 -1.26 -4.09 113.62 112.05 2wvz n SER 436 Ca -0.03 -1.90 -0.35 0.00 -0.26 0.00 0.00 58.87 56.34 2wvz n SER 436 Cb 0.06 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 2wvz n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wvz s THR 437 N -1.64 4.50 0.00 6.66 2.01 -0.24 -4.49 115.64 122.45 2wvz s THR 437 Ca 0.36 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2wvz s THR 437 Cb 0.21 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.67 2wvz s THR 437 CO 0.30 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 2wvz n GLY 438 N 4.07 -1.74 3.08 4.40 0.00 -1.26 -0.87 105.19 112.87 2wvz n GLY 438 Ca -0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 2wvz n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvz s ARG 439 N 0.00 1.80 0.20 1.61 0.52 0.53 -4.83 118.95 118.78 2wvz s ARG 439 Ca 0.00 -1.83 -0.31 0.00 -0.52 0.00 0.00 55.73 53.08 2wvz s ARG 439 Cb 0.00 -3.42 -0.10 0.00 0.52 0.00 0.00 34.95 31.96 2wvz s ARG 439 CO 0.00 -1.00 1.48 -1.17 0.02 0.00 0.00 175.30 174.63 2wvz s LEU 440 N 1.05 4.38 0.00 2.53 2.96 -1.26 -2.62 118.68 125.71 2wvz s LEU 440 Ca 0.09 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 2wvz s LEU 440 Cb -0.21 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.87 2wvz s LEU 440 CO -0.06 -0.74 0.00 0.61 -1.32 0.00 0.00 176.35 174.84 2wvz n GLY 441 N 2.96 0.75 0.25 7.98 0.00 -1.26 -4.98 105.19 110.89 2wvz n GLY 441 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 2wvz n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wvz h TYR 442 N 0.00 0.70 -0.04 1.61 -0.00 -1.84 0.76 116.97 118.17 2wvz h TYR 442 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 58.78 2wvz h TYR 442 Cb 0.00 -0.23 -0.04 0.00 -0.00 0.00 0.00 36.73 36.47 2wvz h TYR 442 CO 0.00 0.39 -0.16 0.93 -0.00 0.00 0.00 178.16 179.32 2wvz h GLU 443 N 0.73 -0.24 -0.03 0.10 3.07 -1.92 0.43 114.58 116.73 2wvz h GLU 443 Ca 0.26 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2wvz h GLU 443 Cb 0.06 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2wvz h GLU 443 CO -0.12 -0.16 -0.04 1.88 -1.40 0.00 0.00 179.01 179.17 2wvz h TYR 444 N -0.25 -0.09 -0.54 4.33 0.05 -1.74 -2.37 116.97 116.36 2wvz h TYR 444 Ca 0.07 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 2wvz h TYR 444 Cb 0.34 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 2wvz h TYR 444 CO -0.23 -0.06 -0.11 -0.92 -1.05 0.00 0.00 178.16 175.79 2wvz h TYR 445 N -0.05 1.15 -0.62 4.88 3.20 -0.25 0.70 116.97 125.98 2wvz h TYR 445 Ca 0.03 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 2wvz h TYR 445 Cb 0.09 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2wvz h TYR 445 CO -0.12 1.06 0.35 -0.91 -1.64 0.00 0.00 178.16 176.91 2wvz h ASN 446 N 0.90 0.75 0.02 -2.11 -0.26 -0.15 -1.46 115.58 113.27 2wvz h ASN 446 Ca 0.14 -0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.69 2wvz h ASN 446 Cb 0.68 -0.19 0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2wvz h ASN 446 CO 0.05 0.61 -0.43 0.50 -1.06 0.00 0.00 177.43 177.10 2wvz h LYS 447 N 0.83 0.26 0.00 0.81 3.64 -0.94 -3.39 116.57 117.78 2wvz h LYS 447 Ca 0.22 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2wvz h LYS 447 Cb 0.01 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2wvz h LYS 447 CO -0.04 1.04 -1.81 1.28 -2.27 0.00 0.00 179.45 177.65 2wvz n LEU 448 N -4.36 0.27 0.00 5.20 4.77 0.24 -4.98 117.00 118.14 2wvz n LEU 448 Ca -0.11 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2wvz n LEU 448 Cb 0.61 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2wvz n LEU 448 CO 0.43 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2wvz n GLY 449 N 1.35 0.76 3.63 -0.72 0.00 -0.55 -5.03 105.19 104.63 2wvz n GLY 449 Ca -0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 2wvz n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvz s TYR 450 N -2.00 -0.20 -0.41 1.61 1.13 -1.25 -4.73 117.35 111.51 2wvz s TYR 450 Ca 0.00 0.01 -0.15 0.00 -1.41 0.00 0.00 57.07 55.52 2wvz s TYR 450 Cb 0.00 0.58 0.02 0.00 -1.10 0.00 0.00 41.96 41.46 2wvz s TYR 450 CO 0.00 -0.59 0.30 0.08 -2.51 0.00 0.00 175.55 172.82 2wvz s VAL 451 N -3.03 5.25 0.88 -3.49 1.01 -1.26 -3.23 120.40 116.53 2wvz s VAL 451 Ca 0.10 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 2wvz s VAL 451 Cb -0.00 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.59 2wvz s VAL 451 CO -0.03 -0.29 1.17 -2.84 0.00 0.00 0.00 175.10 173.10 2wvz s PRO 452 N 1.68 1.21 0.22 2.72 0.02 -1.26 -4.40 135.00 135.19 2wvz s PRO 452 Ca 0.05 1.64 0.24 0.00 0.02 0.00 0.00 61.00 62.95 2wvz s PRO 452 Cb -0.19 -1.74 0.44 0.00 0.02 0.00 0.00 34.50 33.03 2wvz s PRO 452 CO 0.10 -2.50 1.48 -0.92 -0.33 0.00 0.00 177.00 174.83 2wvz h TYR 453 N -1.53 0.00 -1.01 6.54 5.03 -0.28 -3.38 116.97 122.34 2wvz h TYR 453 Ca -0.44 0.00 -0.46 0.00 2.58 0.00 0.00 58.73 60.41 2wvz h TYR 453 Cb 1.28 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.15 2wvz h TYR 453 CO 0.49 0.00 -0.94 -0.40 -1.32 0.00 0.00 178.16 175.98 2wvz n ASP 454 N -2.44 3.34 -1.10 -2.11 5.75 -1.26 -4.73 116.55 114.00 2wvz n ASP 454 Ca 0.04 -3.15 0.05 0.00 -0.01 0.00 0.00 54.79 51.71 2wvz n ASP 454 Cb 0.47 -0.45 0.11 0.00 -1.03 0.00 0.00 41.12 40.21 2wvz n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2wvz n VAL 455 N -0.44 1.04 -2.92 2.12 0.24 -1.26 -4.85 118.33 112.26 2wvz n VAL 455 Ca 0.26 -2.07 -0.22 0.00 -2.04 0.00 0.00 64.34 60.28 2wvz n VAL 455 Cb 0.80 0.42 0.02 0.00 -1.47 0.00 0.00 33.84 33.61 2wvz n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wvz n LYS 456 N -0.26 -3.97 -3.93 7.34 5.02 -1.26 -4.96 118.16 116.14 2wvz n LYS 456 Ca 0.12 0.86 -0.30 0.00 -2.02 0.00 0.00 58.31 56.97 2wvz n LYS 456 Cb 0.94 -5.65 -0.14 0.00 -0.02 0.00 0.00 35.03 30.15 2wvz n LYS 456 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wvz s ILE 457 N -3.09 2.19 0.91 -0.18 1.01 -1.26 -5.11 121.20 115.67 2wvz s ILE 457 Ca 0.24 -2.69 -0.10 0.00 0.00 0.00 0.00 60.65 58.10 2wvz s ILE 457 Cb -0.11 -2.57 0.14 0.00 0.01 0.00 0.00 42.46 39.93 2wvz s ILE 457 CO 0.30 -0.72 1.14 0.20 0.00 0.00 0.00 174.94 175.86 2wvz s ASN 458 N 0.41 2.97 -1.53 3.58 0.01 -1.26 -3.37 114.94 115.75 2wvz s ASN 458 Ca 0.14 2.17 -0.05 0.00 -0.71 0.00 0.00 52.86 54.41 2wvz s ASN 458 Cb -0.22 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.89 2wvz s ASN 458 CO -0.05 -3.07 0.56 -0.62 -1.51 0.00 0.00 177.10 172.40 2wvz n GLU 459 N -4.21 -4.51 0.16 -0.60 1.02 0.26 -4.88 120.64 107.87 2wvz n GLU 459 Ca 0.12 0.85 0.01 0.00 -0.02 0.00 0.00 57.16 58.12 2wvz n GLU 459 Cb 0.52 -5.68 0.25 0.00 -0.02 0.00 0.00 31.44 26.51 2wvz n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2wvz h ASN 460 N -1.25 0.00 0.05 1.62 -1.07 -1.45 -1.74 115.58 111.74 2wvz h ASN 460 Ca -0.51 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 55.59 2wvz h ASN 460 Cb 1.35 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.63 2wvz h ASN 460 CO 0.56 0.51 -1.07 0.00 0.07 0.00 0.00 177.43 177.50 2wvz h ALA 461 N 1.49 0.12 -0.45 4.14 0.00 -1.03 -2.03 119.26 121.51 2wvz h ALA 461 Ca -0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 2wvz h ALA 461 Cb 0.94 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2wvz h ALA 461 CO 0.07 0.70 -0.09 0.00 0.00 0.00 0.00 179.25 179.92 2wvz h ALA 462 N 0.41 0.99 -0.04 0.00 0.00 -1.25 -0.82 119.26 118.55 2wvz h ALA 462 Ca -0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wvz h ALA 462 Cb 1.73 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wvz h ALA 462 CO 0.21 0.60 0.02 0.00 0.00 0.00 0.00 179.25 180.08 2wvz h ARG 463 N 0.73 0.05 -0.32 0.00 3.08 -1.33 -1.91 114.38 114.68 2wvz h ARG 463 Ca 0.13 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.23 2wvz h ARG 463 Cb 0.58 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 2wvz h ARG 463 CO 0.04 0.15 -0.01 1.15 -1.07 0.00 0.00 179.97 180.22 2wvz h THR 464 N -0.05 0.75 -0.57 2.04 2.02 -1.15 0.36 112.91 116.31 2wvz h THR 464 Ca 0.01 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2wvz h THR 464 Cb 0.11 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2wvz h THR 464 CO -0.00 0.02 0.15 -0.07 0.37 0.00 0.00 175.52 175.98 2wvz h LEU 465 N 0.08 0.86 -0.19 2.58 3.38 -1.07 -2.02 115.31 118.93 2wvz h LEU 465 Ca 0.16 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2wvz h LEU 465 Cb 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wvz h LEU 465 CO -0.27 0.86 -0.38 -0.33 0.09 0.00 0.00 178.44 178.41 2wvz h GLU 466 N 0.82 0.60 -0.78 1.13 5.08 -0.87 -2.94 114.58 117.62 2wvz h GLU 466 Ca 0.18 -0.39 0.17 0.00 -1.00 0.00 0.00 59.36 58.32 2wvz h GLU 466 Cb 0.33 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 2wvz h GLU 466 CO 0.00 1.00 0.27 1.88 -1.00 0.00 0.00 179.01 181.16 2wvz h TYR 467 N 0.27 0.44 -0.69 4.33 0.05 -0.24 0.12 116.97 121.25 2wvz h TYR 467 Ca 0.01 0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 2wvz h TYR 467 Cb 0.98 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 2wvz h TYR 467 CO 0.09 -0.03 0.20 0.00 -1.05 0.00 0.00 178.16 177.38 2wvz h ALA 468 N 1.61 1.05 -0.26 3.88 0.00 -1.22 0.28 119.26 124.61 2wvz h ALA 468 Ca 0.45 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2wvz h ALA 468 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wvz h ALA 468 CO -0.48 0.64 -0.27 -0.92 0.00 0.00 0.00 179.25 178.22 2wvz h TYR 469 N 1.03 0.56 -0.39 0.00 3.20 -1.18 -1.79 116.97 118.40 2wvz h TYR 469 Ca 0.22 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2wvz h TYR 469 Cb 0.31 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2wvz h TYR 469 CO 0.02 0.72 0.06 -0.44 -1.64 0.00 0.00 178.16 176.89 2wvz h ASP 470 N 0.44 0.62 -0.22 -2.11 3.32 0.55 -0.27 116.42 118.76 2wvz h ASP 470 Ca 0.06 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2wvz h ASP 470 Cb 0.69 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2wvz h ASP 470 CO 0.05 0.73 0.09 0.44 -1.72 0.00 0.00 179.24 178.83 2wvz h ASP 471 N 0.49 0.34 -0.16 6.45 3.32 -0.42 -0.29 116.42 126.16 2wvz h ASP 471 Ca 0.12 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2wvz h ASP 471 Cb 0.37 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wvz h ASP 471 CO 0.01 0.33 -0.20 -0.25 -1.72 0.00 0.00 179.24 177.41 2wvz h TRP 472 N 0.38 0.65 0.02 4.55 7.01 -0.25 0.10 115.95 128.41 2wvz h TRP 472 Ca 0.09 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 2wvz h TRP 472 Cb 0.11 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 2wvz h TRP 472 CO 0.00 0.74 -0.01 0.00 -2.79 0.00 0.00 178.44 176.39 2wvz h ILE 474 N -0.12 1.07 -0.48 0.00 2.04 -0.87 0.12 117.51 119.27 2wvz h ILE 474 Ca -0.00 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 2wvz h ILE 474 Cb 0.11 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2wvz h ILE 474 CO 0.00 0.14 -0.03 0.22 0.00 0.00 0.00 178.15 178.48 2wvz h TYR 475 N 0.75 0.88 -0.36 1.37 5.03 -0.46 -1.51 116.97 122.66 2wvz h TYR 475 Ca 0.27 -0.14 -0.08 0.00 2.58 0.00 0.00 58.73 61.37 2wvz h TYR 475 Cb 0.13 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 2wvz h TYR 475 CO -0.00 0.82 -0.10 0.00 -1.32 0.00 0.00 178.16 177.56 2wvz h ARG 476 N 0.75 0.63 0.09 1.82 2.47 0.31 -1.71 114.38 118.74 2wvz h ARG 476 Ca 0.14 -0.19 -0.29 0.00 -1.26 0.00 0.00 59.98 58.38 2wvz h ARG 476 Cb 0.50 -0.06 0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2wvz h ARG 476 CO 0.03 0.72 -1.18 1.25 0.56 0.00 0.00 179.97 181.34 2wvz h LEU 477 N 0.58 0.88 -0.48 3.04 5.85 -1.22 -1.33 115.31 122.62 2wvz h LEU 477 Ca 0.11 -0.81 0.03 0.00 0.84 0.00 0.00 57.88 58.05 2wvz h LEU 477 Cb 0.52 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2wvz h LEU 477 CO 0.03 1.59 0.27 0.00 -0.34 0.00 0.00 178.44 179.99 2wvz h ALA 478 N 0.31 0.61 0.06 1.25 0.00 -1.14 0.12 119.26 120.46 2wvz h ALA 478 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wvz h ALA 478 Cb 1.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2wvz h ALA 478 CO 0.23 -0.06 -0.03 -0.22 0.00 0.00 0.00 179.25 179.17 2wvz h LYS 479 N 0.53 -0.07 -0.79 0.00 3.64 -1.31 -1.84 116.57 116.72 2wvz h LYS 479 Ca 0.20 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.74 2wvz h LYS 479 Cb 0.07 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 2wvz h LYS 479 CO -0.12 0.01 0.34 1.49 -2.27 0.00 0.00 179.45 178.90 2wvz h GLU 480 N -0.13 0.46 -0.32 1.90 4.57 -0.70 -1.03 114.58 119.33 2wvz h GLU 480 Ca -0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2wvz h GLU 480 Cb 0.11 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2wvz h GLU 480 CO 0.01 0.31 0.00 1.28 -1.18 0.00 0.00 179.01 179.43 2wvz n LEU 481 N -4.98 0.60 -4.21 1.64 4.32 0.36 -4.90 117.00 109.83 2wvz n LEU 481 Ca 0.16 -0.30 -0.30 0.00 -0.02 0.00 0.00 56.01 55.55 2wvz n LEU 481 Cb 0.45 -0.17 -0.07 0.00 -1.62 0.00 0.00 43.42 42.00 2wvz n LEU 481 CO 0.18 0.13 -0.38 0.29 -1.22 0.00 0.00 177.39 176.39 2wvz n LYS 482 N -0.23 -1.73 -1.57 3.23 4.01 -0.39 -4.94 118.16 116.53 2wvz n LYS 482 Ca 0.02 0.20 -0.30 0.00 -0.51 0.00 0.00 58.31 57.72 2wvz n LYS 482 Cb 0.12 -3.96 0.09 0.00 -0.51 0.00 0.00 35.03 30.77 2wvz n LYS 482 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wvz s ARG 483 N -7.11 2.14 0.38 1.97 1.81 -0.73 -4.99 118.95 112.41 2wvz s ARG 483 Ca 0.05 0.63 -0.27 0.00 -1.72 0.00 0.00 55.73 54.43 2wvz s ARG 483 Cb -0.03 -1.92 -0.11 0.00 -0.45 0.00 0.00 34.95 32.43 2wvz s ARG 483 CO 0.96 -1.58 1.25 -0.35 -0.68 0.00 0.00 175.30 174.90 2wvz n PRO 484 N -3.41 1.95 -0.24 3.54 -0.04 -1.26 -4.79 135.00 130.75 2wvz n PRO 484 Ca 0.07 0.69 0.21 0.00 -0.04 0.00 0.00 63.50 64.43 2wvz n PRO 484 Cb 0.56 -2.30 0.55 0.00 -0.04 0.00 0.00 33.50 32.27 2wvz n PRO 484 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wvz h LYS 485 N 2.26 0.32 -0.62 0.54 1.79 -1.98 -2.04 116.57 116.84 2wvz h LYS 485 Ca -0.46 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 2wvz h LYS 485 Cb 1.29 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.82 2wvz h LYS 485 CO 0.61 0.21 0.34 -0.22 -1.08 0.00 0.00 179.45 179.32 2wvz h LYS 486 N 0.33 0.63 0.35 3.15 3.64 -1.96 0.26 116.57 122.97 2wvz h LYS 486 Ca 0.48 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 2wvz h LYS 486 Cb 1.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wvz h LYS 486 CO -0.16 0.42 -0.17 0.93 -2.27 0.00 0.00 179.45 178.20 2wvz h GLU 487 N 0.65 -0.45 -1.04 1.90 5.08 -1.75 -2.61 114.58 116.35 2wvz h GLU 487 Ca 0.27 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.95 2wvz h GLU 487 Cb 0.14 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.37 2wvz h GLU 487 CO -0.16 -0.13 0.63 0.82 -1.00 0.00 0.00 179.01 179.16 2wvz h ILE 488 N -0.89 0.43 -0.07 3.13 2.04 -1.13 -0.80 117.51 120.23 2wvz h ILE 488 Ca -0.05 -0.14 -0.21 0.00 1.00 0.00 0.00 64.86 65.46 2wvz h ILE 488 Cb 0.53 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2wvz h ILE 488 CO 0.08 0.08 -0.83 0.28 0.00 0.00 0.00 178.15 177.76 2wvz h SER 489 N 0.42 0.63 -0.66 1.72 0.02 -0.49 -1.66 113.55 113.53 2wvz h SER 489 Ca 0.68 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2wvz h SER 489 Cb 1.54 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2wvz h SER 489 CO -0.47 1.22 0.38 0.25 -1.14 0.00 0.00 176.83 177.07 2wvz h LEU 490 N 0.33 0.82 0.00 5.07 5.85 -0.75 0.31 115.31 126.94 2wvz h LEU 490 Ca -0.06 -0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.37 2wvz h LEU 490 Cb 1.44 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2wvz h LEU 490 CO 0.15 0.65 -1.42 -0.26 -0.34 0.00 0.00 178.44 177.22 2wvz h PHE 491 N 0.93 0.00 -0.92 1.25 0.04 -1.51 -2.59 116.94 114.14 2wvz h PHE 491 Ca 0.24 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.07 2wvz h PHE 491 Cb 0.01 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 2wvz h PHE 491 CO 0.01 0.85 0.58 0.00 -0.60 0.00 0.00 178.31 179.14 2wvz h ALA 492 N 1.15 1.27 -0.06 2.45 0.00 -0.91 0.24 119.26 123.40 2wvz h ALA 492 Ca -0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2wvz h ALA 492 Cb 1.81 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2wvz h ALA 492 CO 0.08 0.35 -0.02 -0.22 0.00 0.00 0.00 179.25 179.44 2wvz h LYS 493 N 1.06 0.12 -0.01 0.00 3.64 -0.94 -3.20 116.57 117.24 2wvz h LYS 493 Ca 0.40 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2wvz h LYS 493 Cb 0.16 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2wvz h LYS 493 CO -0.17 0.47 -0.26 0.00 -2.27 0.00 0.00 179.45 177.22 2wvz h ARG 494 N -0.23 0.01 0.00 1.90 3.08 -1.25 -2.27 114.38 115.61 2wvz h ARG 494 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wvz h ARG 494 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2wvz h ARG 494 CO 0.01 0.27 0.09 0.00 -1.07 0.00 0.00 179.97 179.27 2wvz h ALA 495 N 1.73 1.08 -0.18 0.04 0.00 -0.94 -1.15 119.26 119.85 2wvz h ALA 495 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wvz h ALA 495 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wvz h ALA 495 CO 0.03 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 2wvz n MET 496 N -2.94 2.07 0.12 0.00 2.81 -0.85 -4.43 117.12 113.90 2wvz n MET 496 Ca -0.03 -1.59 0.10 0.00 -1.81 0.00 0.00 57.70 54.37 2wvz n MET 496 Cb 0.15 -1.46 0.48 0.00 -0.71 0.00 0.00 33.22 31.67 2wvz n MET 496 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2wvz n ASN 497 N 0.85 0.53 0.23 7.83 3.02 -0.43 -2.11 115.26 125.17 2wvz n ASN 497 Ca 0.17 0.67 0.06 0.00 -0.03 0.00 0.00 54.58 55.46 2wvz n ASN 497 Cb 0.47 -0.77 0.54 0.00 -0.61 0.00 0.00 39.78 39.41 2wvz n ASN 497 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wvz h TYR 498 N 0.00 0.02 -0.47 3.10 -0.00 -1.82 -0.58 116.97 117.22 2wvz h TYR 498 Ca 0.00 -0.00 0.13 0.00 -0.00 0.00 0.00 58.73 58.86 2wvz h TYR 498 Cb 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 36.73 36.90 2wvz h TYR 498 CO 0.00 0.13 0.37 0.87 -0.00 0.00 0.00 178.16 179.53 2wvz h LYS 499 N 0.02 0.00 0.00 0.10 1.57 -1.79 -2.75 116.57 113.71 2wvz h LYS 499 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wvz h LYS 499 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wvz h LYS 499 CO 0.01 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.98 2wvz n ASN 500 N -4.18 0.46 -0.10 0.86 3.02 -0.22 -2.08 115.26 113.02 2wvz n ASN 500 Ca 0.08 0.63 0.01 0.00 -0.03 0.00 0.00 54.58 55.28 2wvz n ASN 500 Cb 0.58 -0.72 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 2wvz n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wvz n LEU 501 N -2.03 1.51 -4.71 3.41 4.77 -1.04 -4.95 117.00 113.96 2wvz n LEU 501 Ca 0.02 -1.34 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 2wvz n LEU 501 Cb 0.17 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2wvz n LEU 501 CO 0.15 0.36 0.68 0.12 -1.33 0.00 0.00 177.39 177.37 2wvz s PHE 502 N -0.46 3.68 -0.29 -1.77 5.36 -0.88 -0.75 117.98 122.86 2wvz s PHE 502 Ca 0.03 1.71 -0.06 0.00 -0.96 0.00 0.00 56.93 57.65 2wvz s PHE 502 Cb 0.02 -3.11 0.02 0.00 -0.34 0.00 0.00 43.02 39.61 2wvz s PHE 502 CO 0.03 0.02 0.06 0.34 -1.46 0.00 0.00 175.22 174.20 2wvz s ASP 503 N 0.89 5.01 0.23 6.13 2.15 -0.55 -4.95 116.67 125.58 2wvz s ASP 503 Ca 0.51 -0.81 -0.08 0.00 0.43 0.00 0.00 52.55 52.60 2wvz s ASP 503 Cb -0.21 -1.84 0.23 0.00 -0.30 0.00 0.00 42.92 40.80 2wvz s ASP 503 CO 0.28 -0.20 1.88 0.11 -0.17 0.00 0.00 175.17 177.07 2wvz h LYS 504 N 8.19 1.05 0.75 4.34 1.57 -1.95 0.18 116.57 130.70 2wvz h LYS 504 Ca -0.30 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2wvz h LYS 504 Cb 1.12 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.20 2wvz h LYS 504 CO 0.60 0.70 -0.36 0.93 -0.57 0.00 0.00 179.45 180.74 2wvz h GLU 505 N 1.08 -0.97 0.00 3.15 5.08 -1.95 -3.03 114.58 117.94 2wvz h GLU 505 Ca 0.33 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2wvz h GLU 505 Cb -0.04 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2wvz h GLU 505 CO -0.10 -0.64 -0.19 0.66 -1.00 0.00 0.00 179.01 177.74 2wvz h SER 506 N -1.04 0.00 -3.25 1.42 4.64 -2.00 -3.47 113.55 109.85 2wvz h SER 506 Ca -0.10 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.92 2wvz h SER 506 Cb 0.78 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.91 2wvz h SER 506 CO 0.17 0.19 -0.44 0.29 -0.87 0.00 0.00 176.83 176.17 2wvz n LYS 507 N -3.18 -3.32 -4.18 4.77 5.02 0.63 -5.03 118.16 112.87 2wvz n LYS 507 Ca 0.02 0.68 -0.11 0.00 -2.02 0.00 0.00 58.31 56.88 2wvz n LYS 507 Cb 0.55 -5.03 -0.10 0.00 -0.02 0.00 0.00 35.03 30.43 2wvz n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wvz s LEU 508 N -4.94 2.37 0.64 -0.35 1.43 -1.17 -4.94 118.68 111.71 2wvz s LEU 508 Ca 0.20 -1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 2wvz s LEU 508 Cb -0.09 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 2wvz s LEU 508 CO 0.24 -0.51 1.17 -0.04 0.23 0.00 0.00 176.35 177.44 2wvz s MET 509 N -3.87 2.78 -0.27 1.70 -1.94 -1.26 -1.48 119.30 114.97 2wvz s MET 509 Ca 0.15 1.65 -0.24 0.00 -1.71 0.00 0.00 55.69 55.54 2wvz s MET 509 Cb 0.06 -1.92 0.07 0.00 2.01 0.00 0.00 34.83 35.04 2wvz s MET 509 CO -0.02 -1.31 0.70 0.50 -0.01 0.00 0.00 175.02 174.88 2wvz s ARG 510 N -3.69 0.81 0.39 2.03 3.52 0.07 -4.83 118.95 117.25 2wvz s ARG 510 Ca 0.73 1.01 -0.24 0.00 -0.13 0.00 0.00 55.73 57.09 2wvz s ARG 510 Cb -0.26 0.37 -0.12 0.00 -1.56 0.00 0.00 34.95 33.38 2wvz s ARG 510 CO 0.37 -0.10 0.84 0.41 -0.81 0.00 0.00 175.30 176.01 2wvz n GLY 511 N 2.88 -0.68 3.05 8.12 0.00 -1.26 -4.76 105.19 112.53 2wvz n GLY 511 Ca -0.15 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wvz n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wvz s ARG 512 N -1.76 1.78 0.88 1.61 3.52 -1.26 -1.92 118.95 121.79 2wvz s ARG 512 Ca 0.63 -0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 55.64 2wvz s ARG 512 Cb -0.61 -1.47 0.12 0.00 -1.56 0.00 0.00 34.95 31.43 2wvz s ARG 512 CO 0.58 0.07 1.10 -0.80 -0.81 0.00 0.00 175.30 175.43 2wvz s ASN 513 N 0.54 3.71 0.34 -2.12 0.01 0.12 0.46 114.94 118.00 2wvz s ASN 513 Ca -0.13 1.37 0.05 0.00 -0.71 0.00 0.00 52.86 53.44 2wvz s ASN 513 Cb -0.15 -2.06 0.63 0.00 0.41 0.00 0.00 41.25 40.08 2wvz s ASN 513 CO 0.04 -2.47 1.88 -0.08 -1.51 0.00 0.00 177.10 174.96 2wvz h GLU 514 N -1.44 0.49 0.00 -0.60 4.81 -1.89 -1.16 114.58 114.80 2wvz h GLU 514 Ca -0.49 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2wvz h GLU 514 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2wvz h GLU 514 CO 0.57 0.53 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 2wvz n ASP 515 N -4.28 0.00 0.00 1.04 5.75 -1.26 -4.88 116.55 112.91 2wvz n ASP 515 Ca 0.01 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 2wvz n ASP 515 Cb 0.24 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2wvz n ASP 515 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wvz n GLY 516 N 0.55 3.40 3.76 6.12 0.00 -0.44 -5.05 105.19 113.53 2wvz n GLY 516 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2wvz n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvz s THR 517 N -2.63 3.16 0.61 2.61 -4.23 -1.26 -4.73 115.64 109.17 2wvz s THR 517 Ca 0.00 1.13 -0.18 0.00 -1.18 0.00 0.00 61.69 61.47 2wvz s THR 517 Cb 0.00 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2wvz s THR 517 CO 0.00 0.26 1.16 -0.36 -0.54 0.00 0.00 174.62 175.14 2wvz s PHE 518 N -0.98 2.47 0.17 3.99 0.08 -1.26 0.13 117.98 122.57 2wvz s PHE 518 Ca 0.48 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 58.77 2wvz s PHE 518 Cb -0.35 -3.35 -0.07 0.00 -0.57 0.00 0.00 43.02 38.67 2wvz s PHE 518 CO 0.45 -1.97 1.11 1.14 -0.10 0.00 0.00 175.22 175.85 2wvz s GLN 519 N -3.57 4.57 0.04 0.44 1.03 -0.81 -4.72 119.66 116.64 2wvz s GLN 519 Ca 0.73 1.73 0.06 0.00 0.04 0.00 0.00 55.36 57.92 2wvz s GLN 519 Cb -0.26 -3.28 -0.02 0.00 0.03 0.00 0.00 33.01 29.47 2wvz s GLN 519 CO 0.35 0.04 -0.16 -1.12 -2.54 0.00 0.00 175.29 171.86 2wvz s SER 520 N 0.02 1.89 0.80 12.60 0.01 -1.26 -4.09 113.70 123.67 2wvz s SER 520 Ca 0.50 -0.49 -0.12 0.00 1.31 0.00 0.00 55.95 57.15 2wvz s SER 520 Cb -0.29 -0.13 0.07 0.00 0.21 0.00 0.00 66.02 65.88 2wvz s SER 520 CO 0.34 0.06 1.15 -2.16 0.41 0.00 0.00 173.24 173.04 2wvz s PRO 521 N -1.22 2.07 -0.10 12.44 0.04 -1.26 -5.16 135.00 141.81 2wvz s PRO 521 Ca 0.03 0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.37 2wvz s PRO 521 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2wvz s PRO 521 CO 0.02 -1.55 -0.22 0.12 0.04 0.00 0.00 177.00 175.41 2wvz s PHE 522 N -3.45 2.40 -0.19 0.56 5.36 -1.26 -5.09 117.98 116.31 2wvz s PHE 522 Ca 0.61 -1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 55.55 2wvz s PHE 522 Cb -0.12 -1.63 0.05 0.00 -0.34 0.00 0.00 43.02 40.99 2wvz s PHE 522 CO 0.51 -0.44 -0.02 0.45 -1.46 0.00 0.00 175.22 174.26 2wvz s SER 523 N 0.50 3.12 0.24 6.13 0.15 -1.26 -4.99 113.70 117.58 2wvz s SER 523 Ca -0.16 -0.85 0.09 0.00 0.70 0.00 0.00 55.95 55.74 2wvz s SER 523 Cb -0.17 -0.87 0.49 0.00 -1.71 0.00 0.00 66.02 63.75 2wvz s SER 523 CO 0.06 -0.24 1.13 -0.81 1.20 0.00 0.00 173.24 174.58 2wvz n PRO 524 N 4.88 0.06 0.00 5.44 -0.04 -1.26 -1.48 135.00 142.61 2wvz n PRO 524 Ca -0.11 0.49 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2wvz n PRO 524 Cb 0.46 -2.01 0.04 0.00 -0.04 0.00 0.00 33.50 31.95 2wvz n PRO 524 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wvz n LEU 525 N -1.84 1.90 -4.69 1.53 4.77 -1.26 -2.86 117.00 114.55 2wvz n LEU 525 Ca -0.01 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.63 2wvz n LEU 525 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2wvz n LEU 525 CO 0.04 0.35 0.95 -0.75 -1.33 0.00 0.00 177.39 176.65 2wvz s LYS 526 N -1.31 4.35 0.32 3.23 2.20 -0.55 -1.94 119.74 126.04 2wvz s LYS 526 Ca 0.14 1.66 -0.10 0.00 -0.36 0.00 0.00 55.97 57.31 2wvz s LYS 526 Cb 0.11 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 2wvz s LYS 526 CO 0.23 -0.44 0.66 -1.58 -0.36 0.00 0.00 175.35 173.85 2wvz s TRP 527 N 2.20 3.43 0.00 4.03 0.52 -0.91 -4.22 118.94 123.99 2wvz s TRP 527 Ca 0.56 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.64 2wvz s TRP 527 Cb -0.24 -2.35 0.00 0.00 -1.15 0.00 0.00 33.47 29.73 2wvz s TRP 527 CO 0.22 0.10 0.00 0.41 0.02 0.00 0.00 176.95 177.69 2wvz n GLY 528 N -0.69 0.11 5.83 0.98 0.00 0.26 -4.59 105.19 107.08 2wvz n GLY 528 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2wvz n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wvz n ASP 529 N -0.92 0.00 0.23 1.61 2.03 -1.26 -1.17 116.55 117.07 2wvz n ASP 529 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2wvz n ASP 529 Cb 0.00 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 40.86 2wvz n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wvz h ALA 530 N -0.97 0.99 -4.15 -1.67 0.00 -1.92 0.75 119.26 112.28 2wvz h ALA 530 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2wvz h ALA 530 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2wvz h ALA 530 CO 0.00 0.22 -0.13 1.19 0.00 0.00 0.00 179.25 180.54 2wvz n PHE 531 N -3.30 0.23 -3.96 0.00 3.72 -0.31 -0.55 117.46 113.28 2wvz n PHE 531 Ca 0.01 -0.67 -0.30 0.00 -0.05 0.00 0.00 57.45 56.43 2wvz n PHE 531 Cb 0.43 -0.06 -0.16 0.00 -0.94 0.00 0.00 39.48 38.75 2wvz n PHE 531 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wvz s THR 532 N -1.63 1.60 -1.41 4.37 2.01 -1.26 -4.05 115.64 115.27 2wvz s THR 532 Ca 0.02 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 2wvz s THR 532 Cb 0.00 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2wvz s THR 532 CO 0.01 -0.07 0.36 -0.62 -0.69 0.00 0.00 174.62 173.61 2wvz n GLU 533 N 4.65 -2.45 0.00 4.92 1.02 -1.26 -4.86 120.64 122.66 2wvz n GLU 533 Ca -0.12 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2wvz n GLU 533 Cb 0.44 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.68 2wvz n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wvz n GLY 534 N -2.11 -0.17 1.18 0.62 0.00 -1.26 -4.93 105.19 98.51 2wvz n GLY 534 Ca -0.29 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 2wvz n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wvz n ASN 535 N 0.00 2.23 -0.06 1.61 0.23 -1.26 -0.58 115.26 117.43 2wvz n ASN 535 Ca 0.00 -1.73 0.01 0.00 -0.53 0.00 0.00 54.58 52.33 2wvz n ASN 535 Cb 0.00 0.15 0.32 0.00 -2.08 0.00 0.00 39.78 38.17 2wvz n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2wvz h SER 536 N 0.42 0.60 0.32 0.53 0.87 -1.72 0.46 113.55 115.04 2wvz h SER 536 Ca -0.13 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2wvz h SER 536 Cb 0.42 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2wvz h SER 536 CO 0.22 0.52 -0.08 -0.50 -0.53 0.00 0.00 176.83 176.46 2wvz h TRP 537 N 0.67 0.00 0.08 2.24 4.06 -1.91 -0.90 115.95 120.19 2wvz h TRP 537 Ca 0.17 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.79 2wvz h TRP 537 Cb 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 2wvz h TRP 537 CO 0.01 0.08 -1.78 0.72 -3.56 0.00 0.00 178.44 173.91 2wvz n HIS 538 N -3.59 1.12 0.17 0.49 8.25 -0.18 -4.50 115.22 116.98 2wvz n HIS 538 Ca -0.02 0.31 0.05 0.00 -0.26 0.00 0.00 57.72 57.80 2wvz n HIS 538 Cb 0.20 -1.14 0.18 0.00 1.12 0.00 0.00 29.99 30.36 2wvz n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2wvz h TYR 539 N -0.31 0.00 -0.89 4.41 -1.99 -0.77 -3.30 116.97 114.13 2wvz h TYR 539 Ca -0.41 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.52 2wvz h TYR 539 Cb 1.78 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 40.39 2wvz h TYR 539 CO 0.08 0.41 0.40 1.15 -0.00 0.00 0.00 178.16 180.20 2wvz h THR 540 N 0.00 0.53 0.00 -2.88 2.02 -1.39 -0.27 112.91 110.91 2wvz h THR 540 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2wvz h THR 540 Cb 1.14 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2wvz h THR 540 CO 0.05 0.08 0.00 0.79 0.37 0.00 0.00 175.52 176.81 2wvz n TRP 541 N -5.01 0.00 -1.32 3.16 7.02 -1.24 -4.38 117.44 115.67 2wvz n TRP 541 Ca 0.21 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.31 2wvz n TRP 541 Cb 0.61 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.47 2wvz n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wvz n SER 542 N -0.96 7.05 -3.00 -0.99 7.64 -0.11 -4.40 113.62 118.84 2wvz n SER 542 Ca 0.12 -2.60 -0.17 0.00 1.01 0.00 0.00 58.87 57.23 2wvz n SER 542 Cb 0.06 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 61.74 2wvz n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wvz n VAL 543 N 4.06 0.56 -0.31 0.44 0.31 -1.26 -4.75 118.33 117.38 2wvz n VAL 543 Ca 0.68 -4.33 0.22 0.00 -0.01 0.00 0.00 64.34 60.90 2wvz n VAL 543 Cb 0.26 -0.19 0.52 0.00 -0.91 0.00 0.00 33.84 33.51 2wvz n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wvz h PHE 544 N 2.98 0.61 0.00 3.52 -1.00 -1.88 -0.42 116.94 120.75 2wvz h PHE 544 Ca 0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2wvz h PHE 544 Cb 0.97 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.35 2wvz h PHE 544 CO 0.52 0.08 -0.44 -2.39 -1.61 0.00 0.00 178.31 174.47 2wvz n HIS 545 N -4.58 0.54 -3.06 -0.55 1.44 -1.26 -4.45 115.22 103.29 2wvz n HIS 545 Ca 0.24 0.16 -0.16 0.00 -2.01 0.00 0.00 57.72 55.95 2wvz n HIS 545 Cb 0.85 -0.66 -0.00 0.00 0.12 0.00 0.00 29.99 30.30 2wvz n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2wvz n ASP 546 N -2.03 0.37 -0.29 4.39 2.03 -0.18 -0.33 116.55 120.50 2wvz n ASP 546 Ca 0.04 -3.07 0.05 0.00 0.52 0.00 0.00 54.79 52.33 2wvz n ASP 546 Cb 0.42 -0.20 0.26 0.00 -0.72 0.00 0.00 41.12 40.88 2wvz n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wvz h PRO 547 N 2.98 0.95 -0.78 -0.67 0.11 -1.76 -0.90 132.00 131.93 2wvz h PRO 547 Ca 0.04 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2wvz h PRO 547 Cb 1.02 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 2wvz h PRO 547 CO 0.43 0.63 0.36 0.37 -0.21 0.00 0.00 178.00 179.58 2wvz h GLN 548 N 0.97 1.12 -0.96 1.05 5.75 -1.91 -0.92 115.11 120.22 2wvz h GLN 548 Ca 0.40 -0.17 0.14 0.00 -0.15 0.00 0.00 58.65 58.87 2wvz h GLN 548 Cb 0.27 -0.20 -0.08 0.00 1.07 0.00 0.00 27.48 28.54 2wvz h GLN 548 CO -0.16 0.87 0.61 0.78 -2.65 0.00 0.00 178.83 178.28 2wvz h GLY 549 N 1.14 1.47 0.34 2.39 0.00 -1.56 0.50 103.07 107.36 2wvz h GLY 549 Ca 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2wvz h GLY 549 CO -0.03 0.10 -0.07 -2.00 0.00 0.00 0.00 176.54 174.54 2wvz h LEU 550 N 0.84 0.07 -0.63 3.11 5.85 -0.98 -1.90 115.31 121.66 2wvz h LEU 550 Ca 0.49 -0.73 0.12 0.00 0.84 0.00 0.00 57.88 58.59 2wvz h LEU 550 Cb 0.64 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 2wvz h LEU 550 CO -0.25 0.79 -0.26 0.40 -0.34 0.00 0.00 178.44 178.78 2wvz h ILE 551 N -0.64 0.23 -0.53 4.05 2.04 -0.96 -0.71 117.51 121.00 2wvz h ILE 551 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 2wvz h ILE 551 Cb 0.80 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 2wvz h ILE 551 CO 0.01 0.00 0.08 0.44 0.00 0.00 0.00 178.15 178.68 2wvz h ASP 552 N -0.09 -0.06 -0.95 1.72 3.32 -0.88 -0.58 116.42 118.91 2wvz h ASP 552 Ca 0.28 0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.53 2wvz h ASP 552 Cb 0.53 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.16 2wvz h ASP 552 CO -0.69 -0.01 0.58 -0.07 -1.72 0.00 0.00 179.24 177.34 2wvz h LEU 553 N 0.21 0.87 -0.02 1.55 3.38 -0.34 -1.46 115.31 119.50 2wvz h LEU 553 Ca 0.27 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2wvz h LEU 553 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wvz h LEU 553 CO -0.37 0.49 -0.00 0.23 0.09 0.00 0.00 178.44 178.88 2wvz n MET 554 N -4.63 0.81 -1.34 1.13 2.81 -0.47 -4.87 117.12 110.56 2wvz n MET 554 Ca 0.16 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2wvz n MET 554 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2wvz n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wvz n GLY 555 N 1.11 0.96 0.00 3.03 0.00 -0.55 -4.60 105.19 105.14 2wvz n GLY 555 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2wvz n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvz n GLY 556 N -0.88 2.77 0.39 -0.02 0.00 -0.32 -4.64 105.19 102.50 2wvz n GLY 556 Ca 0.00 -1.99 0.20 0.00 0.00 0.00 0.00 46.02 44.22 2wvz n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wvz h LYS 557 N 0.00 0.16 -0.03 1.61 2.10 -1.93 -1.21 116.57 117.28 2wvz h LYS 557 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 2wvz h LYS 557 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2wvz h LYS 557 CO 0.00 0.11 -0.21 0.93 -2.00 0.00 0.00 179.45 178.28 2wvz h GLU 558 N 0.17 0.19 -0.37 0.07 3.07 -1.90 -1.08 114.58 114.73 2wvz h GLU 558 Ca 0.33 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 2wvz h GLU 558 Cb 1.07 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 2wvz h GLU 558 CO -0.05 0.85 -0.13 0.52 -1.40 0.00 0.00 179.01 178.79 2wvz h MET 559 N -0.42 0.66 0.06 2.33 2.86 -1.74 -1.21 114.93 117.48 2wvz h MET 559 Ca -0.02 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2wvz h MET 559 Cb 0.90 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 2wvz h MET 559 CO 0.04 0.77 -0.14 0.35 1.06 0.00 0.00 176.91 178.99 2wvz h PHE 560 N 0.60 -0.36 0.00 -0.22 3.04 -1.24 0.66 116.94 119.42 2wvz h PHE 560 Ca 0.10 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 2wvz h PHE 560 Cb 0.57 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2wvz h PHE 560 CO 0.03 -0.21 -0.17 0.28 -2.02 0.00 0.00 178.31 176.21 2wvz h VAL 561 N -0.27 1.06 -0.31 1.41 2.07 -1.00 -0.82 116.25 118.39 2wvz h VAL 561 Ca 0.03 -0.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 2wvz h VAL 561 Cb 0.29 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2wvz h VAL 561 CO -0.10 0.17 -0.35 0.74 0.02 0.00 0.00 177.57 178.06 2wvz h THR 562 N 0.00 1.29 -0.54 2.57 2.02 -0.38 0.28 112.91 118.15 2wvz h THR 562 Ca -0.00 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 2wvz h THR 562 Cb 0.32 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 2wvz h THR 562 CO 0.02 0.49 0.22 0.24 0.37 0.00 0.00 175.52 176.87 2wvz h MET 563 N 0.54 0.78 -0.14 6.66 2.07 -0.07 -2.45 114.93 122.31 2wvz h MET 563 Ca 0.04 -0.11 -0.07 0.00 -2.07 0.00 0.00 59.70 57.49 2wvz h MET 563 Cb 0.93 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.52 2wvz h MET 563 CO 0.08 0.63 -0.18 0.52 1.07 0.00 0.00 176.91 179.04 2wvz h MET 564 N 0.77 0.37 -0.90 1.72 2.86 -0.87 -3.20 114.93 115.69 2wvz h MET 564 Ca 0.19 -0.21 0.12 0.00 -2.06 0.00 0.00 59.70 57.74 2wvz h MET 564 Cb 0.14 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 2wvz h MET 564 CO -0.02 0.78 0.58 -0.44 1.06 0.00 0.00 176.91 178.87 2wvz h ASP 565 N -0.01 0.75 -0.46 1.22 3.32 -0.78 -2.77 116.42 117.69 2wvz h ASP 565 Ca 0.02 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2wvz h ASP 565 Cb 0.73 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2wvz h ASP 565 CO 0.04 0.41 0.12 0.28 -1.72 0.00 0.00 179.24 178.37 2wvz h SER 566 N 0.81 0.69 -0.84 6.45 0.02 -1.45 -2.70 113.55 116.53 2wvz h SER 566 Ca 0.44 -0.23 0.21 0.00 -0.84 0.00 0.00 61.79 61.37 2wvz h SER 566 Cb 0.56 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 62.76 2wvz h SER 566 CO -0.20 0.74 -0.04 0.52 -1.14 0.00 0.00 176.83 176.70 2wvz n VAL 567 N -4.51 -0.35 0.12 2.27 0.31 -1.05 -0.04 118.33 115.09 2wvz n VAL 567 Ca 0.01 1.86 -0.02 0.00 -0.01 0.00 0.00 64.34 66.17 2wvz n VAL 567 Cb 0.21 -2.68 0.11 0.00 -0.91 0.00 0.00 33.84 30.57 2wvz n VAL 567 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wvz h PHE 568 N 0.00 0.00 0.00 3.52 0.04 -1.58 0.16 116.94 119.08 2wvz h PHE 568 Ca 0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.25 2wvz h PHE 568 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2wvz h PHE 568 CO -0.48 0.69 -0.97 0.00 -0.60 0.00 0.00 178.31 176.95 2wvz n ALA 569 N -2.40 4.06 -2.69 2.45 0.00 0.95 -2.66 120.51 120.22 2wvz n ALA 569 Ca -0.01 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 2wvz n ALA 569 Cb 0.68 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 2wvz n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wvz s VAL 570 N -3.08 5.00 0.07 0.00 -7.23 0.11 -4.95 120.40 110.32 2wvz s VAL 570 Ca 0.06 1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 61.35 2wvz s VAL 570 Cb 0.16 -4.03 -0.16 0.00 0.56 0.00 0.00 36.38 32.91 2wvz s VAL 570 CO 0.82 0.16 0.71 -2.65 -0.31 0.00 0.00 175.10 173.82 2wvz n PRO 571 N 4.51 0.00 -0.71 4.82 -0.02 -1.26 -2.94 135.00 139.40 2wvz n PRO 571 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2wvz n PRO 571 Cb 0.50 -1.08 -0.10 0.00 -0.02 0.00 0.00 33.50 32.79 2wvz n PRO 571 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wvz n PRO 572 N 1.08 1.52 -1.93 0.52 -0.04 -1.26 -4.70 135.00 130.20 2wvz n PRO 572 Ca 0.16 -0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 62.46 2wvz n PRO 572 Cb 0.13 -1.93 0.04 0.00 -0.04 0.00 0.00 33.50 31.69 2wvz n PRO 572 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wvz s ILE 573 N 1.82 2.75 0.30 0.52 -4.36 -1.26 -4.82 121.20 116.15 2wvz s ILE 573 Ca 0.46 0.43 -0.12 0.00 -0.26 0.00 0.00 60.65 61.17 2wvz s ILE 573 Cb 0.21 -3.10 0.01 0.00 1.25 0.00 0.00 42.46 40.82 2wvz s ILE 573 CO -0.01 -0.13 0.55 0.72 0.24 0.00 0.00 174.94 176.32 2wvz s PHE 574 N -1.79 0.43 -0.12 1.37 -0.12 -1.26 -4.95 117.98 111.54 2wvz s PHE 574 Ca 0.75 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.79 2wvz s PHE 574 Cb -0.28 0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2wvz s PHE 574 CO 0.35 -1.15 -0.02 0.34 -0.05 0.00 0.00 175.22 174.69 2wvz s ASP 575 N -3.07 2.22 0.00 1.98 -1.08 -0.82 -4.95 116.67 110.95 2wvz s ASP 575 Ca 0.22 -0.38 0.18 0.00 -0.52 0.00 0.00 52.55 52.05 2wvz s ASP 575 Cb -0.02 -0.67 0.30 0.00 -1.46 0.00 0.00 42.92 41.07 2wvz s ASP 575 CO 0.12 -0.19 1.23 -0.90 0.52 0.00 0.00 175.17 175.95 2wvz n ASP 576 N 5.02 2.97 -0.35 -0.34 5.75 -1.26 -2.15 116.55 126.20 2wvz n ASP 576 Ca -0.10 -1.87 0.03 0.00 -0.01 0.00 0.00 54.79 52.84 2wvz n ASP 576 Cb 0.49 -0.16 0.09 0.00 -1.03 0.00 0.00 41.12 40.51 2wvz n ASP 576 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2wvz n SER 577 N 1.11 -0.45 -0.24 -1.12 3.41 -1.26 -0.08 113.62 114.99 2wvz n SER 577 Ca 0.14 1.62 0.00 0.00 -0.26 0.00 0.00 58.87 60.38 2wvz n SER 577 Cb 0.50 -0.44 0.07 0.00 -0.26 0.00 0.00 64.21 64.08 2wvz n SER 577 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2wvz h TYR 578 N 0.00 -0.44 0.00 7.33 3.20 -1.84 -2.56 116.97 122.66 2wvz h TYR 578 Ca 0.40 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.30 2wvz h TYR 578 Cb 0.63 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2wvz h TYR 578 CO -0.76 -0.32 -0.42 1.88 -1.64 0.00 0.00 178.16 176.90 2wvz h TYR 579 N -0.02 0.00 0.00 -3.82 0.05 -0.79 -3.48 116.97 108.91 2wvz h TYR 579 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 2wvz h TYR 579 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2wvz h TYR 579 CO -0.58 0.14 0.00 0.41 -1.05 0.00 0.00 178.16 177.08 2wvz n GLY 580 N 1.16 0.45 3.82 3.88 0.00 -0.49 -4.92 105.19 109.08 2wvz n GLY 580 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2wvz n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wvz s GLN 581 N -0.52 1.41 -0.75 1.61 -2.07 -1.26 -5.04 119.66 113.04 2wvz s GLN 581 Ca 0.00 -0.86 -0.16 0.00 -1.82 0.00 0.00 55.36 52.52 2wvz s GLN 581 Cb 0.00 0.43 0.16 0.00 -1.09 0.00 0.00 33.01 32.51 2wvz s GLN 581 CO 0.00 -0.66 0.77 0.08 -1.32 0.00 0.00 175.29 174.17 2wvz s VAL 582 N -2.72 5.22 0.82 3.63 1.01 -1.26 -4.86 120.40 122.24 2wvz s VAL 582 Ca 0.17 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 2wvz s VAL 582 Cb -0.03 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.93 2wvz s VAL 582 CO 0.05 -1.11 1.10 0.27 0.00 0.00 0.00 175.10 175.41 2wvz s ILE 583 N 1.39 2.99 0.26 2.22 -4.36 -1.26 -4.73 121.20 117.70 2wvz s ILE 583 Ca 0.16 0.32 -0.03 0.00 -0.26 0.00 0.00 60.65 60.85 2wvz s ILE 583 Cb -0.16 -2.71 0.25 0.00 1.25 0.00 0.00 42.46 41.09 2wvz s ILE 583 CO -0.04 -0.42 1.86 1.12 0.24 0.00 0.00 174.94 177.70 2wvz h HIS 584 N -1.34 1.10 -0.88 1.37 2.07 -1.78 -1.50 115.15 114.19 2wvz h HIS 584 Ca -0.44 0.03 0.18 0.00 -2.85 0.00 0.00 60.37 57.29 2wvz h HIS 584 Cb 1.24 -0.35 -0.11 0.00 2.57 0.00 0.00 27.41 30.76 2wvz h HIS 584 CO 0.54 0.53 0.43 0.93 -3.07 0.00 0.00 177.93 177.30 2wvz h GLU 585 N 1.05 0.52 0.03 5.12 3.07 -1.90 0.47 114.58 122.94 2wvz h GLU 585 Ca 0.42 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2wvz h GLU 585 Cb 0.24 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2wvz h GLU 585 CO -0.19 0.34 -0.02 0.82 -1.40 0.00 0.00 179.01 178.56 2wvz h ILE 586 N 0.53 1.20 -0.24 3.13 2.04 -1.63 -2.75 117.51 119.80 2wvz h ILE 586 Ca 0.51 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2wvz h ILE 586 Cb 0.85 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 2wvz h ILE 586 CO -0.44 0.19 -0.14 -0.09 0.00 0.00 0.00 178.15 177.67 2wvz h ARG 587 N -0.36 -0.12 -0.76 2.37 9.65 -0.91 -0.63 114.38 123.61 2wvz h ARG 587 Ca -0.00 0.01 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 2wvz h ARG 587 Cb 0.34 0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 28.82 2wvz h ARG 587 CO 0.01 -0.08 0.03 0.93 2.80 0.00 0.00 179.97 183.66 2wvz h GLU 588 N -0.12 0.11 -0.27 0.20 5.08 -0.11 -0.91 114.58 118.57 2wvz h GLU 588 Ca 0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2wvz h GLU 588 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2wvz h GLU 588 CO -0.31 0.08 0.09 1.98 -1.00 0.00 0.00 179.01 179.84 2wvz h MET 589 N 0.12 0.41 -0.52 2.33 4.05 -0.83 -3.09 114.93 117.41 2wvz h MET 589 Ca 0.42 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.80 2wvz h MET 589 Cb 0.75 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 2wvz h MET 589 CO -0.66 0.46 0.34 1.79 0.23 0.00 0.00 176.91 179.08 2wvz h THR 590 N 0.27 1.03 0.00 -0.77 1.35 -0.44 -2.55 112.91 111.81 2wvz h THR 590 Ca 0.09 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2wvz h THR 590 Cb 0.22 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 2wvz h THR 590 CO -0.00 0.10 0.00 -0.37 -0.25 0.00 0.00 175.52 175.00 2wvz h VAL 591 N 0.55 0.00 0.00 6.82 -1.51 -1.37 -3.30 116.25 117.43 2wvz h VAL 591 Ca 0.21 -0.81 -0.11 0.00 -1.23 0.00 0.00 66.70 64.77 2wvz h VAL 591 Cb 0.16 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 2wvz h VAL 591 CO -0.06 0.00 -0.52 0.24 -1.23 0.00 0.00 177.57 176.01 2wvz h MET 592 N 0.00 0.00 -4.10 5.19 2.86 -1.52 -3.48 114.93 113.89 2wvz h MET 592 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 2wvz h MET 592 Cb 0.86 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.61 2wvz h MET 592 CO 0.00 0.52 -0.44 -1.71 1.06 0.00 0.00 176.91 176.33 2wvz n ASN 593 N -3.29 -3.50 -2.59 1.22 4.05 -1.25 -4.94 115.26 104.97 2wvz n ASN 593 Ca 0.01 -0.35 -0.09 0.00 0.45 0.00 0.00 54.58 54.61 2wvz n ASN 593 Cb 0.71 -3.31 0.04 0.00 1.23 0.00 0.00 39.78 38.44 2wvz n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2wvz n MET 594 N -3.12 2.25 0.00 1.20 2.81 -1.26 -5.10 117.12 113.90 2wvz n MET 594 Ca -0.08 -3.71 0.00 0.00 -1.81 0.00 0.00 57.70 52.11 2wvz n MET 594 Cb 0.57 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2wvz n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wvz n GLY 595 N -0.57 2.82 0.90 3.03 0.00 -1.09 -0.69 105.19 109.59 2wvz n GLY 595 Ca 0.19 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2wvz n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvz n ASN 596 N 1.54 2.51 -4.57 1.61 3.02 0.56 -4.28 115.26 115.66 2wvz n ASN 596 Ca 0.00 -2.24 -0.41 0.00 -0.03 0.00 0.00 54.58 51.91 2wvz n ASN 596 Cb 0.00 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 2wvz n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wvz s TYR 597 N -1.69 2.58 -1.26 3.10 5.04 0.14 -4.89 117.35 120.37 2wvz s TYR 597 Ca 0.23 -1.05 -0.16 0.00 -2.44 0.00 0.00 57.07 53.64 2wvz s TYR 597 Cb 0.15 -4.66 -0.02 0.00 0.35 0.00 0.00 41.96 37.79 2wvz s TYR 597 CO 0.10 -1.84 2.14 0.00 -1.34 0.00 0.00 175.55 174.61 2wvz n ALA 598 N 9.18 4.88 0.32 3.97 0.00 -1.26 -4.80 120.51 132.79 2wvz n ALA 598 Ca 0.41 -3.72 0.19 0.00 0.00 0.00 0.00 53.44 50.32 2wvz n ALA 598 Cb 0.48 -3.57 1.06 0.00 0.00 0.00 0.00 19.45 17.42 2wvz n ALA 598 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wvz h HIS 599 N 6.57 0.00 0.00 0.00 2.76 -1.93 -2.28 115.15 120.27 2wvz h HIS 599 Ca 0.53 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 2wvz h HIS 599 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2wvz h HIS 599 CO 1.40 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.44 2wvz n GLY 600 N -1.21 -0.71 3.06 5.26 0.00 -1.26 -4.69 105.19 105.64 2wvz n GLY 600 Ca -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2wvz n GLY 600 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wvz s ASN 601 N -1.75 0.47 0.16 1.61 2.47 -0.86 -3.87 114.94 113.18 2wvz s ASN 601 Ca 0.22 -0.85 -0.07 0.00 0.42 0.00 0.00 52.86 52.58 2wvz s ASN 601 Cb 0.10 0.16 0.03 0.00 -1.45 0.00 0.00 41.25 40.09 2wvz s ASN 601 CO 0.17 -0.50 1.47 1.56 -3.72 0.00 0.00 177.10 176.08 2wvz h GLN 602 N 3.58 0.70 -0.63 0.43 7.50 -1.85 -3.32 115.11 121.53 2wvz h GLN 602 Ca -0.34 -0.44 0.10 0.00 0.50 0.00 0.00 58.65 58.48 2wvz h GLN 602 Cb 1.16 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.70 2wvz h GLN 602 CO 0.58 1.06 0.42 -1.35 -1.50 0.00 0.00 178.83 178.04 2wvz h PRO 603 N 0.54 0.43 -0.08 1.46 0.11 -1.91 0.83 132.00 133.37 2wvz h PRO 603 Ca 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wvz h PRO 603 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wvz h PRO 603 CO 0.11 0.28 0.00 1.51 -0.21 0.00 0.00 178.00 179.69 2wvz n ILE 604 N -4.47 0.08 0.31 4.15 3.06 -1.25 -4.55 119.36 116.69 2wvz n ILE 604 Ca 0.10 -0.42 0.20 0.00 -2.50 0.00 0.00 62.75 60.13 2wvz n ILE 604 Cb 0.37 0.96 1.03 0.00 0.54 0.00 0.00 39.64 42.54 2wvz n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2wvz h GLN 605 N 3.56 0.00 0.00 9.51 4.20 -0.97 -1.33 115.11 130.08 2wvz h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wvz h GLN 605 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2wvz h GLN 605 CO 0.00 0.02 -1.13 -2.39 -0.67 0.00 0.00 178.83 174.65 2wvz n HIS 606 N -3.25 0.81 -0.33 2.96 1.44 -1.26 -4.60 115.22 111.00 2wvz n HIS 606 Ca -0.02 0.24 0.25 0.00 -2.01 0.00 0.00 57.72 56.18 2wvz n HIS 606 Cb 0.14 -0.88 0.48 0.00 0.12 0.00 0.00 29.99 29.84 2wvz n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2wvz h MET 607 N 0.00 0.07 -0.29 -1.40 -1.53 -1.54 -1.65 114.93 108.57 2wvz h MET 607 Ca 0.00 -0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 2wvz h MET 607 Cb 0.99 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 32.01 2wvz h MET 607 CO 0.00 0.04 -0.16 0.82 0.14 0.00 0.00 176.91 177.76 2wvz h ILE 608 N 0.07 1.24 0.00 1.77 2.04 -1.81 -1.77 117.51 119.05 2wvz h ILE 608 Ca 0.75 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2wvz h ILE 608 Cb 1.83 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2wvz h ILE 608 CO -0.77 0.36 0.00 1.88 0.00 0.00 0.00 178.15 179.61 2wvz h TYR 609 N 0.47 0.00 -0.25 1.37 -1.99 -1.64 -1.87 116.97 113.06 2wvz h TYR 609 Ca 0.08 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.89 2wvz h TYR 609 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 2wvz h TYR 609 CO 0.02 0.00 0.21 -0.07 -0.00 0.00 0.00 178.16 178.31 2wvz h LEU 610 N 0.00 0.00 -1.93 3.88 3.38 -1.44 -0.92 115.31 118.28 2wvz h LEU 610 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2wvz h LEU 610 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wvz h LEU 610 CO 0.00 0.00 0.52 1.88 0.09 0.00 0.00 178.44 180.93 2wvz h TYR 611 N 0.00 0.00 -0.14 1.13 0.05 -1.51 0.81 116.97 117.31 2wvz h TYR 611 Ca 0.12 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 2wvz h TYR 611 Cb 0.53 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 2wvz h TYR 611 CO 0.00 0.00 -0.38 -0.44 -1.05 0.00 0.00 178.16 176.29 2wvz h ASP 612 N 0.00 0.31 1.58 3.88 5.19 -1.39 -0.56 116.42 125.43 2wvz h ASP 612 Ca 0.25 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2wvz h ASP 612 Cb 1.28 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2wvz h ASP 612 CO -0.00 0.66 0.00 1.88 -3.12 0.00 0.00 179.24 178.66 2wvz h TYR 613 N 0.25 0.00 -0.29 4.55 -1.99 -0.99 -3.05 116.97 115.45 2wvz h TYR 613 Ca 0.03 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 2wvz h TYR 613 Cb 0.78 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.47 2wvz h TYR 613 CO 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 178.16 178.15 2wvz n ALA 614 N -2.05 3.49 -1.18 3.88 0.00 -1.08 -4.94 120.51 118.63 2wvz n ALA 614 Ca 0.03 -2.67 -0.06 0.00 0.00 0.00 0.00 53.44 50.73 2wvz n ALA 614 Cb 0.43 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 2wvz n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wvz n GLY 615 N -0.84 0.85 2.67 0.00 0.00 -1.15 -4.90 105.19 101.81 2wvz n GLY 615 Ca 0.26 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2wvz n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wvz n GLN 616 N -2.73 2.46 0.27 1.61 6.02 -0.24 -4.66 117.38 120.10 2wvz n GLN 616 Ca -0.06 -4.36 0.17 0.00 -0.01 0.00 0.00 57.00 52.73 2wvz n GLN 616 Cb 0.21 -2.05 0.92 0.00 1.02 0.00 0.00 30.24 30.33 2wvz n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2wvz h PRO 617 N 3.05 0.00 0.00 -1.09 0.13 -1.82 -1.83 132.00 130.44 2wvz h PRO 617 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 2wvz h PRO 617 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2wvz h PRO 617 CO 0.71 0.00 -0.40 0.11 -0.23 0.00 0.00 178.00 178.20 2wvz h TRP 618 N 0.00 0.00 -0.26 1.56 0.09 -1.90 0.09 115.95 115.52 2wvz h TRP 618 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 58.86 2wvz h TRP 618 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.45 2wvz h TRP 618 CO 0.00 0.40 -0.43 0.87 0.09 0.00 0.00 178.44 179.36 2wvz h LYS 619 N 0.00 0.76 -0.80 0.12 1.57 -1.71 0.15 116.57 116.65 2wvz h LYS 619 Ca -0.00 -0.46 0.05 0.00 -1.87 0.00 0.00 60.65 58.36 2wvz h LYS 619 Cb 0.71 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 2wvz h LYS 619 CO 0.05 1.09 0.50 0.00 -0.57 0.00 0.00 179.45 180.52 2wvz h ALA 620 N 0.66 1.07 -0.69 3.86 0.00 -1.42 -1.34 119.26 121.39 2wvz h ALA 620 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2wvz h ALA 620 Cb 1.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2wvz h ALA 620 CO 0.10 0.26 0.15 1.96 0.00 0.00 0.00 179.25 181.72 2wvz h GLN 621 N 0.93 1.12 0.42 0.00 4.20 -0.52 0.11 115.11 121.37 2wvz h GLN 621 Ca 0.34 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2wvz h GLN 621 Cb 0.10 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2wvz h GLN 621 CO -0.15 1.00 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.89 2wvz h TYR 622 N 1.06 -0.52 -0.73 2.96 3.20 -0.67 -2.76 116.97 119.50 2wvz h TYR 622 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2wvz h TYR 622 Cb 0.40 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2wvz h TYR 622 CO 0.03 -0.24 0.29 -1.49 -1.64 0.00 0.00 178.16 175.11 2wvz h TRP 623 N -0.72 1.10 0.08 -3.82 4.06 -1.10 -2.19 115.95 113.35 2wvz h TRP 623 Ca -0.06 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.81 2wvz h TRP 623 Cb 0.51 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2wvz h TRP 623 CO -0.01 0.84 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.60 2wvz h LEU 624 N 1.06 -0.09 -1.03 -4.49 3.38 -0.82 -1.27 115.31 112.05 2wvz h LEU 624 Ca 0.24 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2wvz h LEU 624 Cb 0.21 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2wvz h LEU 624 CO -0.02 -0.03 0.64 -0.09 0.09 0.00 0.00 178.44 179.03 2wvz h ARG 625 N -0.14 1.08 -0.60 1.13 9.65 -1.33 -0.77 114.38 123.39 2wvz h ARG 625 Ca -0.01 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 2wvz h ARG 625 Cb 0.12 -0.24 -0.06 0.00 -1.39 0.00 0.00 29.97 28.40 2wvz h ARG 625 CO 0.02 0.71 0.28 1.96 2.80 0.00 0.00 179.97 185.74 2wvz h GLN 626 N 1.11 0.51 -0.21 0.20 1.08 -0.75 -0.96 115.11 116.09 2wvz h GLN 626 Ca 0.45 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.54 2wvz h GLN 626 Cb 0.27 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2wvz h GLN 626 CO -0.20 0.33 -0.20 0.28 -0.95 0.00 0.00 178.83 178.10 2wvz h VAL 627 N 0.52 1.32 0.00 -0.54 2.07 -0.04 -1.69 116.25 117.90 2wvz h VAL 627 Ca 0.28 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2wvz h VAL 627 Cb 0.25 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2wvz h VAL 627 CO -0.22 0.41 -0.18 0.24 0.02 0.00 0.00 177.57 177.84 2wvz h MET 628 N 0.18 0.00 0.16 1.57 2.86 -1.11 -0.61 114.93 117.98 2wvz h MET 628 Ca 0.03 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.37 2wvz h MET 628 Cb 0.74 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.41 2wvz h MET 628 CO 0.05 0.18 -1.46 -0.44 1.06 0.00 0.00 176.91 176.30 2wvz h ASP 629 N 0.00 0.52 0.00 1.22 3.32 -0.92 -3.39 116.42 117.17 2wvz h ASP 629 Ca -0.00 -0.63 -0.23 0.00 0.02 0.00 0.00 57.03 56.19 2wvz h ASP 629 Cb 0.38 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2wvz h ASP 629 CO 0.02 1.51 -1.85 0.54 -1.72 0.00 0.00 179.24 177.74 2wvz n ARG 630 N -3.54 0.82 0.00 3.56 1.74 -0.66 -4.65 116.66 113.92 2wvz n ARG 630 Ca -0.15 0.06 0.14 0.00 -0.77 0.00 0.00 57.85 57.13 2wvz n ARG 630 Cb 1.05 -1.30 0.57 0.00 -1.02 0.00 0.00 32.46 31.76 2wvz n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2wvz n MET 631 N -2.81 1.09 -4.50 5.56 2.81 -0.24 -4.73 117.12 114.30 2wvz n MET 631 Ca -0.25 -0.51 -0.24 0.00 -1.81 0.00 0.00 57.70 54.89 2wvz n MET 631 Cb 0.81 -1.49 -0.17 0.00 -0.71 0.00 0.00 33.22 31.67 2wvz n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2wvz s TYR 632 N -2.26 1.30 0.07 2.03 1.51 -1.25 -3.45 117.35 115.30 2wvz s TYR 632 Ca 0.33 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2wvz s TYR 632 Cb 0.20 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 2wvz s TYR 632 CO 0.43 -0.26 -0.06 0.95 -1.11 0.00 0.00 175.55 175.50 2wvz s THR 633 N 0.71 0.53 -1.48 -0.71 -4.23 0.48 -4.82 115.64 106.12 2wvz s THR 633 Ca -0.14 -1.62 0.29 0.00 -1.18 0.00 0.00 61.69 59.05 2wvz s THR 633 Cb -0.16 -1.27 0.54 0.00 1.34 0.00 0.00 72.50 72.95 2wvz s THR 633 CO 0.03 -0.74 2.02 -0.81 -0.54 0.00 0.00 174.62 174.59 2wvz n PRO 634 N 0.50 0.46 -1.62 3.99 -0.05 -1.26 -4.11 135.00 132.90 2wvz n PRO 634 Ca -0.16 0.01 -0.24 0.00 -0.05 0.00 0.00 63.50 63.06 2wvz n PRO 634 Cb 0.59 -1.50 0.16 0.00 -0.05 0.00 0.00 33.50 32.70 2wvz n PRO 634 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2wvz n GLY 635 N 1.16 -1.23 0.29 0.55 0.00 -1.26 -4.74 105.19 99.96 2wvz n GLY 635 Ca 0.15 -1.73 0.16 0.00 0.00 0.00 0.00 46.02 44.59 2wvz n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wvz h PRO 636 N 0.00 0.00 -0.93 1.61 0.11 -1.91 -1.99 132.00 128.90 2wvz h PRO 636 Ca -0.34 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.13 2wvz h PRO 636 Cb 0.97 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.74 2wvz h PRO 636 CO 0.25 0.06 0.28 -0.40 -0.21 0.00 0.00 178.00 177.99 2wvz n ASP 637 N -3.48 6.73 0.00 -2.05 3.85 -1.26 -1.11 116.55 119.22 2wvz n ASP 637 Ca -0.02 -3.78 0.14 0.00 -0.71 0.00 0.00 54.79 50.43 2wvz n ASP 637 Cb 0.19 -0.75 0.72 0.00 -1.35 0.00 0.00 41.12 39.93 2wvz n ASP 637 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wvz n GLY 638 N -0.84 -1.30 3.76 6.12 0.00 -0.75 -4.82 105.19 107.36 2wvz n GLY 638 Ca 0.56 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 2wvz n GLY 638 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvz s TYR 639 N -2.64 2.66 -0.91 1.61 1.51 -0.70 -0.39 117.35 118.50 2wvz s TYR 639 Ca 0.26 -0.50 0.10 0.00 -1.01 0.00 0.00 57.07 55.92 2wvz s TYR 639 Cb 0.20 -1.87 0.25 0.00 -0.11 0.00 0.00 41.96 40.43 2wvz s TYR 639 CO 0.46 0.20 1.17 0.00 -1.11 0.00 0.00 175.55 176.27 2wvz n GLY 641 N 0.45 -1.19 3.67 0.00 0.00 -1.22 -4.46 105.19 102.43 2wvz n GLY 641 Ca 0.10 -0.96 -0.47 0.00 0.00 0.00 0.00 46.02 44.68 2wvz n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wvz n ASP 642 N 0.15 3.19 -0.27 1.61 9.92 -1.25 -2.61 116.55 127.28 2wvz n ASP 642 Ca 0.00 1.04 -0.05 0.00 -0.53 0.00 0.00 54.79 55.25 2wvz n ASP 642 Cb 0.00 -1.39 0.06 0.00 -0.64 0.00 0.00 41.12 39.15 2wvz n ASP 642 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2wvz h GLU 643 N 7.29 1.02 -5.41 -1.24 4.22 -1.42 -3.43 114.58 115.61 2wvz h GLU 643 Ca -0.47 -0.10 -0.21 0.00 0.08 0.00 0.00 59.36 58.67 2wvz h GLU 643 Cb 1.26 -0.21 0.17 0.00 0.50 0.00 0.00 28.75 30.47 2wvz h GLU 643 CO 0.91 0.73 -0.72 -0.25 -2.18 0.00 0.00 179.01 177.51 2wvz n ASP 644 N -4.50 -6.80 -2.45 1.04 8.00 -1.26 -1.89 116.55 108.69 2wvz n ASP 644 Ca 0.07 -0.60 -0.21 0.00 0.71 0.00 0.00 54.79 54.76 2wvz n ASP 644 Cb 0.07 -5.19 -0.01 0.00 -0.02 0.00 0.00 41.12 35.97 2wvz n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wvz n ASN 645 N -2.98 -5.96 0.00 -2.24 5.03 -1.26 -1.75 115.26 106.10 2wvz n ASN 645 Ca -0.06 -0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2wvz n ASN 645 Cb 0.60 -4.94 0.00 0.00 -1.02 0.00 0.00 39.78 34.42 2wvz n ASN 645 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvz n GLY 646 N -1.07 2.41 0.44 7.41 0.00 -1.24 -4.63 105.19 108.50 2wvz n GLY 646 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 2wvz n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wvz h GLN 647 N 2.14 -1.01 0.00 1.61 5.75 -1.35 0.81 115.11 123.06 2wvz h GLN 647 Ca 0.00 0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2wvz h GLN 647 Cb 0.00 0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 2wvz h GLN 647 CO 0.00 -0.67 -0.04 1.15 -2.65 0.00 0.00 178.83 176.62 2wvz h THR 648 N -1.05 0.16 0.04 2.39 2.02 -1.61 -0.81 112.91 114.05 2wvz h THR 648 Ca -0.10 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.52 2wvz h THR 648 Cb 0.82 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2wvz h THR 648 CO 0.14 0.04 -0.72 0.28 0.37 0.00 0.00 175.52 175.63 2wvz h SER 649 N 0.00 0.15 -0.36 4.18 0.02 -1.61 -3.26 113.55 112.67 2wvz h SER 649 Ca -0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2wvz h SER 649 Cb 0.35 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2wvz h SER 649 CO 0.01 1.31 0.24 0.00 -1.14 0.00 0.00 176.83 177.24 2wvz h ALA 650 N -0.12 1.74 -0.74 3.77 0.00 0.96 0.10 119.26 124.98 2wvz h ALA 650 Ca -0.17 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2wvz h ALA 650 Cb 1.33 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2wvz h ALA 650 CO -0.02 0.24 0.40 2.35 0.00 0.00 0.00 179.25 182.22 2wvz h TRP 651 N 0.49 0.72 -0.43 0.00 7.01 -1.25 0.92 115.95 123.41 2wvz h TRP 651 Ca 0.13 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.04 2wvz h TRP 651 Cb -0.06 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 2wvz h TRP 651 CO -0.00 0.29 -0.20 -0.92 -2.79 0.00 0.00 178.44 174.82 2wvz h TYR 652 N 0.68 1.03 0.43 2.65 5.03 -1.04 -0.55 116.97 125.20 2wvz h TYR 652 Ca 0.36 -0.25 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 2wvz h TYR 652 Cb 0.33 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2wvz h TYR 652 CO -0.09 1.04 -0.21 0.28 -1.32 0.00 0.00 178.16 177.87 2wvz h VAL 653 N 0.72 0.56 0.12 1.81 2.07 -0.95 0.23 116.25 120.82 2wvz h VAL 653 Ca 0.10 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.33 2wvz h VAL 653 Cb 0.76 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2wvz h VAL 653 CO 0.06 0.05 -0.48 -0.26 0.02 0.00 0.00 177.57 176.97 2wvz h PHE 654 N -0.76 -1.36 -0.91 1.57 0.04 -0.87 -2.48 116.94 112.18 2wvz h PHE 654 Ca -0.06 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.81 2wvz h PHE 654 Cb 0.53 0.58 -0.06 0.00 2.20 0.00 0.00 35.95 39.20 2wvz h PHE 654 CO -0.01 -0.56 0.59 0.77 -0.60 0.00 0.00 178.31 178.50 2wvz h SER 655 N -0.71 0.92 0.42 2.17 0.02 -0.97 0.55 113.55 115.95 2wvz h SER 655 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2wvz h SER 655 Cb 0.73 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2wvz h SER 655 CO -0.27 0.60 -0.10 0.00 -1.14 0.00 0.00 176.83 175.92 2wvz h ALA 656 N 1.50 1.22 0.00 3.77 0.00 -0.31 0.16 119.26 125.60 2wvz h ALA 656 Ca 0.39 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2wvz h ALA 656 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wvz h ALA 656 CO -0.14 0.13 -0.46 -0.07 0.00 0.00 0.00 179.25 178.70 2wvz h LEU 657 N 0.00 0.00 0.00 0.00 3.38 0.53 0.47 115.31 119.70 2wvz h LEU 657 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wvz h LEU 657 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wvz h LEU 657 CO 0.01 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.62 2wvz n GLY 658 N 0.83 1.15 3.44 0.83 0.00 0.56 -4.44 105.19 107.56 2wvz n GLY 658 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2wvz n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wvz s PHE 659 N -2.00 -0.49 -0.12 1.61 -0.12 -1.22 -0.48 117.98 115.16 2wvz s PHE 659 Ca 0.00 0.30 -0.11 0.00 -0.05 0.00 0.00 56.93 57.06 2wvz s PHE 659 Cb 0.00 0.55 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 2wvz s PHE 659 CO 0.00 -0.77 0.33 -0.47 -0.05 0.00 0.00 175.22 174.26 2wvz s TYR 660 N -3.59 -0.36 -1.16 3.49 6.14 0.17 -4.00 117.35 118.04 2wvz s TYR 660 Ca 0.02 0.88 -0.15 0.00 0.64 0.00 0.00 57.07 58.47 2wvz s TYR 660 Cb -0.01 0.12 0.16 0.00 0.42 0.00 0.00 41.96 42.66 2wvz s TYR 660 CO -0.12 -0.17 1.38 -1.25 0.64 0.00 0.00 175.55 176.03 2wvz s PRO 661 N 0.17 4.00 0.24 4.97 0.04 -1.26 -0.77 135.00 142.40 2wvz s PRO 661 Ca -0.00 -2.42 -0.05 0.00 0.04 0.00 0.00 61.00 58.58 2wvz s PRO 661 Cb -0.02 -5.05 0.41 0.00 0.04 0.00 0.00 34.50 29.88 2wvz s PRO 661 CO 0.00 -1.78 1.78 0.28 0.04 0.00 0.00 177.00 177.33 2wvz h VAL 662 N 4.90 0.82 -2.98 -0.36 2.07 -1.86 -3.34 116.25 115.50 2wvz h VAL 662 Ca 0.29 -0.22 -0.62 0.00 0.82 0.00 0.00 66.70 66.97 2wvz h VAL 662 Cb 0.90 0.12 -0.41 0.00 -1.52 0.00 0.00 31.29 30.38 2wvz h VAL 662 CO 1.22 0.12 -0.65 0.00 0.02 0.00 0.00 177.57 178.29 2wvz n PRO 664 N 2.20 1.59 0.00 0.00 -0.02 -1.26 -1.27 135.00 136.26 2wvz n PRO 664 Ca 0.20 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2wvz n PRO 664 Cb 0.37 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2wvz n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wvz n GLY 665 N 0.98 2.25 3.93 -1.23 0.00 -1.26 -4.86 105.19 105.01 2wvz n GLY 665 Ca 0.09 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2wvz n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvz s THR 666 N -2.16 2.11 -0.30 2.61 -4.23 -0.39 -4.92 115.64 108.36 2wvz s THR 666 Ca 0.00 -0.16 0.11 0.00 -1.18 0.00 0.00 61.69 60.45 2wvz s THR 666 Cb 0.00 -2.94 0.64 0.00 1.34 0.00 0.00 72.50 71.54 2wvz s THR 666 CO 0.00 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 174.84 2wvz n ASP 667 N -3.27 4.02 -4.75 3.99 5.75 -1.26 -4.97 116.55 116.05 2wvz n ASP 667 Ca 0.11 -3.34 -0.35 0.00 -0.01 0.00 0.00 54.79 51.20 2wvz n ASP 667 Cb 0.60 -0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 2wvz n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wvz s GLU 668 N -3.05 3.11 -0.26 0.11 2.02 -1.26 -0.92 118.70 118.45 2wvz s GLU 668 Ca 0.50 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.11 2wvz s GLU 668 Cb 0.42 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.77 2wvz s GLU 668 CO 0.09 0.71 -0.04 0.71 0.02 0.00 0.00 175.26 176.75 2wvz s TYR 669 N -0.99 3.10 0.48 1.61 1.51 0.08 -4.53 117.35 118.61 2wvz s TYR 669 Ca 0.16 -1.53 -0.20 0.00 -1.01 0.00 0.00 57.07 54.48 2wvz s TYR 669 Cb -0.12 -2.08 -0.08 0.00 -0.11 0.00 0.00 41.96 39.57 2wvz s TYR 669 CO 0.05 -0.72 1.04 0.08 -1.11 0.00 0.00 175.55 174.89 2wvz s VAL 670 N 1.33 3.77 -0.22 0.71 1.01 0.05 0.02 120.40 127.08 2wvz s VAL 670 Ca -0.00 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 2wvz s VAL 670 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2wvz s VAL 670 CO -0.03 -0.22 0.53 -0.32 0.00 0.00 0.00 175.10 175.05 2wvz s MET 671 N -3.18 4.16 0.00 2.72 1.75 0.15 -0.66 119.30 124.24 2wvz s MET 671 Ca 0.67 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 55.51 2wvz s MET 671 Cb -0.17 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 33.92 2wvz s MET 671 CO 0.21 -0.21 0.00 0.41 -0.65 0.00 0.00 175.02 174.78 2wvz n GLY 672 N 4.00 0.65 3.15 2.11 0.00 0.37 -4.92 105.19 110.55 2wvz n GLY 672 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2wvz n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wvz s THR 673 N 3.03 -0.02 0.53 2.61 -1.32 -1.25 -4.72 115.64 114.51 2wvz s THR 673 Ca 0.00 0.06 -0.19 0.00 -1.21 0.00 0.00 61.69 60.36 2wvz s THR 673 Cb 0.00 -0.43 -0.06 0.00 -1.51 0.00 0.00 72.50 70.50 2wvz s THR 673 CO 0.00 0.03 1.06 -2.16 -2.21 0.00 0.00 174.62 171.34 2wvz s PRO 674 N 0.71 3.56 -0.03 7.08 0.04 -1.26 -4.11 135.00 140.98 2wvz s PRO 674 Ca -0.05 1.36 0.20 0.00 0.04 0.00 0.00 61.00 62.55 2wvz s PRO 674 Cb -0.06 -2.06 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 2wvz s PRO 674 CO -0.05 -0.63 0.49 -0.11 0.04 0.00 0.00 177.00 176.75 2wvz n LEU 675 N -1.37 0.23 -4.72 -3.56 7.94 0.16 -4.93 117.00 110.75 2wvz n LEU 675 Ca 0.10 0.10 -0.23 0.00 -1.11 0.00 0.00 56.01 54.87 2wvz n LEU 675 Cb 0.52 0.13 -0.06 0.00 0.53 0.00 0.00 43.42 44.55 2wvz n LEU 675 CO 0.42 0.13 -0.24 -0.36 -1.11 0.00 0.00 177.39 176.24 2wvz s PHE 676 N -3.14 2.78 0.21 1.96 0.08 -1.26 -4.89 117.98 113.72 2wvz s PHE 676 Ca -0.07 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 56.71 2wvz s PHE 676 Cb 0.11 -1.43 0.16 0.00 -0.57 0.00 0.00 43.02 41.29 2wvz s PHE 676 CO 0.86 0.47 1.52 0.87 -0.10 0.00 0.00 175.22 178.84 2wvz h LYS 677 N 1.66 0.42 -3.48 0.44 1.57 -1.36 -3.40 116.57 112.42 2wvz h LYS 677 Ca -0.45 -0.28 -0.21 0.00 -1.87 0.00 0.00 60.65 57.84 2wvz h LYS 677 Cb 1.25 0.04 -0.27 0.00 0.08 0.00 0.00 32.23 33.32 2wvz h LYS 677 CO 0.61 0.89 -0.60 0.21 -0.57 0.00 0.00 179.45 179.99 2wvz s LYS 678 N -3.87 0.11 -0.04 3.15 2.20 -0.93 0.99 119.74 121.35 2wvz s LYS 678 Ca -0.06 0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2wvz s LYS 678 Cb 0.11 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 2wvz s LYS 678 CO 0.82 -0.03 -0.08 0.00 -0.36 0.00 0.00 175.35 175.71 2wvz s ALA 679 N 0.14 0.86 -0.18 3.13 0.00 -0.51 -0.92 121.76 124.28 2wvz s ALA 679 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2wvz s ALA 679 Cb -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2wvz s ALA 679 CO -0.00 0.10 -0.17 0.99 0.00 0.00 0.00 175.76 176.67 2wvz s THR 680 N 0.45 2.32 -0.20 0.00 2.01 0.14 -0.49 115.64 119.88 2wvz s THR 680 Ca -0.07 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 2wvz s THR 680 Cb -0.11 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2wvz s THR 680 CO 0.01 0.52 0.29 -0.76 -0.69 0.00 0.00 174.62 173.99 2wvz s LEU 681 N 1.20 4.18 -0.57 4.42 1.43 0.21 -0.83 118.68 128.73 2wvz s LEU 681 Ca 0.02 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2wvz s LEU 681 Cb -0.14 -2.35 0.14 0.00 0.03 0.00 0.00 46.19 43.87 2wvz s LEU 681 CO -0.09 0.03 0.47 -1.00 0.23 0.00 0.00 176.35 175.99 2wvz s HIS 682 N 0.94 3.42 0.58 0.29 3.76 0.50 -1.25 115.29 123.53 2wvz s HIS 682 Ca 0.15 -1.77 -0.17 0.00 -0.15 0.00 0.00 55.06 53.12 2wvz s HIS 682 Cb -0.14 -3.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 2wvz s HIS 682 CO 0.05 -0.99 1.07 -0.06 -0.85 0.00 0.00 174.74 173.96 2wvz s PHE 683 N 1.13 2.90 0.47 1.40 0.08 -0.67 -4.82 117.98 118.47 2wvz s PHE 683 Ca 0.08 1.53 0.19 0.00 0.12 0.00 0.00 56.93 58.85 2wvz s PHE 683 Cb -0.24 -3.07 1.18 0.00 -0.57 0.00 0.00 43.02 40.31 2wvz s PHE 683 CO -0.01 -1.19 1.96 0.93 -0.10 0.00 0.00 175.22 176.80 2wvz h GLU 684 N 0.66 0.25 0.00 0.44 5.08 -1.87 -1.41 114.58 117.73 2wvz h GLU 684 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2wvz h GLU 684 Cb 1.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wvz h GLU 684 CO 0.57 0.17 0.00 0.27 -1.00 0.00 0.00 179.01 179.02 2wvz n ASN 685 N -4.44 0.00 0.00 1.42 2.04 -1.26 -4.82 115.26 108.20 2wvz n ASN 685 Ca 0.12 -0.42 0.00 0.00 -0.44 0.00 0.00 54.58 53.84 2wvz n ASN 685 Cb 0.53 -0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 2wvz n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wvz n GLY 686 N 0.34 0.44 3.94 4.83 0.00 -0.53 -5.08 105.19 109.14 2wvz n GLY 686 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2wvz n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvz s ASN 687 N -2.24 6.28 -0.00 1.61 0.01 -1.25 -4.93 114.94 114.42 2wvz s ASN 687 Ca 0.00 0.41 0.04 0.00 -0.71 0.00 0.00 52.86 52.60 2wvz s ASN 687 Cb 0.00 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 2wvz s ASN 687 CO 0.00 -0.29 -0.13 -0.44 -1.51 0.00 0.00 177.10 174.73 2wvz s SER 688 N -4.04 1.52 -0.17 -1.22 0.01 -1.26 -1.67 113.70 106.88 2wvz s SER 688 Ca 0.40 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.40 2wvz s SER 688 Cb -0.10 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.99 2wvz s SER 688 CO 0.35 0.14 -0.19 -0.22 0.41 0.00 0.00 173.24 173.73 2wvz s LEU 689 N -0.44 2.20 -0.23 2.44 2.96 -0.38 0.34 118.68 125.57 2wvz s LEU 689 Ca 0.04 -0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2wvz s LEU 689 Cb -0.05 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2wvz s LEU 689 CO -0.00 0.04 0.12 -0.69 -1.32 0.00 0.00 176.35 174.50 2wvz s VAL 690 N 1.08 5.02 -0.47 1.68 1.01 0.05 -0.62 120.40 128.15 2wvz s VAL 690 Ca -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 2wvz s VAL 690 Cb -0.14 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.02 2wvz s VAL 690 CO -0.07 0.36 0.35 -0.63 0.00 0.00 0.00 175.10 175.11 2wvz s ILE 691 N 1.08 4.41 -0.28 2.22 1.01 0.36 0.31 121.20 130.30 2wvz s ILE 691 Ca 0.06 -1.63 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 2wvz s ILE 691 Cb -0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2wvz s ILE 691 CO 0.04 -0.72 0.15 -0.62 0.00 0.00 0.00 174.94 173.79 2wvz s ASP 692 N 2.68 5.68 -0.48 3.58 2.15 0.14 -1.42 116.67 129.01 2wvz s ASP 692 Ca 0.05 -0.20 0.08 0.00 0.43 0.00 0.00 52.55 52.91 2wvz s ASP 692 Cb -0.26 -2.04 0.35 0.00 -0.30 0.00 0.00 42.92 40.67 2wvz s ASP 692 CO 0.01 -0.09 0.87 0.00 -0.17 0.00 0.00 175.17 175.78 2wvz n ALA 693 N 5.01 3.56 -0.26 3.66 0.00 0.28 0.37 120.51 133.12 2wvz n ALA 693 Ca -0.14 -4.10 0.30 0.00 0.00 0.00 0.00 53.44 49.50 2wvz n ALA 693 Cb 0.51 -0.81 0.70 0.00 0.00 0.00 0.00 19.45 19.85 2wvz n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wvz h PRO 694 N 2.97 0.06 -0.64 0.00 0.13 -1.76 0.11 132.00 132.88 2wvz h PRO 694 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2wvz h PRO 694 Cb 0.74 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2wvz h PRO 694 CO 0.68 0.04 0.00 -1.71 -0.23 0.00 0.00 178.00 176.78 2wvz n ASN 695 N -4.28 4.07 -4.74 1.44 5.15 -1.26 -4.96 115.26 110.67 2wvz n ASN 695 Ca 0.22 -2.33 -0.40 0.00 -0.60 0.00 0.00 54.58 51.47 2wvz n ASN 695 Cb 1.06 -0.52 0.01 0.00 -0.53 0.00 0.00 39.78 39.81 2wvz n ASN 695 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2wvz n ASN 696 N 1.00 3.10 -1.41 1.20 2.85 0.37 -4.73 115.26 117.64 2wvz n ASN 696 Ca 0.22 1.12 -0.02 0.00 -0.11 0.00 0.00 54.58 55.80 2wvz n ASN 696 Cb 0.75 -1.57 0.01 0.00 1.24 0.00 0.00 39.78 40.21 2wvz n ASN 696 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2wvz n SER 697 N -0.00 -0.46 0.06 1.20 3.41 -1.19 -4.88 113.62 111.75 2wvz n SER 697 Ca 0.05 -1.30 -0.02 0.00 -0.26 0.00 0.00 58.87 57.34 2wvz n SER 697 Cb 0.41 0.77 0.24 0.00 -0.26 0.00 0.00 64.21 65.36 2wvz n SER 697 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2wvz h THR 698 N 1.21 1.27 0.11 6.66 2.02 -1.98 -3.29 112.91 118.92 2wvz h THR 698 Ca -0.07 -1.29 -0.32 0.00 0.77 0.00 0.00 66.41 65.50 2wvz h THR 698 Cb 0.26 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2wvz h THR 698 CO 0.09 0.40 -1.72 -0.33 0.37 0.00 0.00 175.52 174.33 2wvz h GLU 699 N 0.30 0.23 -5.89 6.66 3.07 -1.97 -3.43 114.58 113.56 2wvz h GLU 699 Ca 0.04 -0.40 -0.57 0.00 -0.50 0.00 0.00 59.36 57.93 2wvz h GLU 699 Cb 0.68 0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 28.66 2wvz h GLU 699 CO 0.05 1.19 1.69 -0.80 -1.40 0.00 0.00 179.01 179.74 2wvz s ASN 700 N -7.04 6.34 0.00 1.42 0.02 -1.24 -4.34 114.94 110.10 2wvz s ASN 700 Ca -0.22 -1.84 0.00 0.00 -1.02 0.00 0.00 52.86 49.78 2wvz s ASN 700 Cb 0.06 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.75 2wvz s ASN 700 CO 0.75 -1.67 0.44 2.22 0.02 0.00 0.00 177.10 178.87 2wvz n PHE 701 N 9.81 0.00 -3.30 2.20 1.16 -1.07 -3.20 117.46 123.06 2wvz n PHE 701 Ca 0.42 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.69 2wvz n PHE 701 Cb 0.48 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.30 2wvz n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2wvz s TYR 702 N -0.07 3.43 -0.42 2.97 2.02 0.06 -4.74 117.35 120.60 2wvz s TYR 702 Ca 0.00 0.88 -0.20 0.00 -0.37 0.00 0.00 57.07 57.39 2wvz s TYR 702 Cb 0.00 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.30 2wvz s TYR 702 CO 0.00 0.19 0.58 0.42 -1.57 0.00 0.00 175.55 175.16 2wvz s ILE 703 N -1.95 4.92 -0.03 2.71 1.01 -1.26 -0.91 121.20 125.68 2wvz s ILE 703 Ca 0.48 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 2wvz s ILE 703 Cb -0.11 -4.13 -0.27 0.00 0.01 0.00 0.00 42.46 37.96 2wvz s ILE 703 CO 0.24 -0.49 0.74 -0.78 0.00 0.00 0.00 174.94 174.64 2wvz h ASP 704 N 8.77 0.37 -4.92 3.58 3.58 -1.48 -3.40 116.42 122.92 2wvz h ASP 704 Ca -0.26 -0.58 0.01 0.00 0.42 0.00 0.00 57.03 56.62 2wvz h ASP 704 Cb 1.10 -0.12 -0.13 0.00 1.72 0.00 0.00 39.33 41.90 2wvz h ASP 704 CO 0.85 1.49 0.27 -0.94 -2.88 0.00 0.00 179.24 178.04 2wvz s SER 705 N -6.91 -0.53 0.02 2.28 1.04 -1.23 -4.91 113.70 103.46 2wvz s SER 705 Ca -0.11 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2wvz s SER 705 Cb 0.07 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 2wvz s SER 705 CO 0.84 -0.87 -0.04 -0.04 0.98 0.00 0.00 173.24 174.10 2wvz s MET 706 N -3.47 0.33 0.00 4.02 -1.94 -1.25 -1.60 119.30 115.40 2wvz s MET 706 Ca 0.01 -0.60 -0.02 0.00 -1.71 0.00 0.00 55.69 53.37 2wvz s MET 706 Cb -0.01 0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.86 2wvz s MET 706 CO -0.11 -0.03 0.03 -1.54 -0.01 0.00 0.00 175.02 173.36 2wvz s SER 707 N -1.40 0.09 -0.45 3.03 1.04 -0.43 -0.34 113.70 115.25 2wvz s SER 707 Ca -0.14 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.10 2wvz s SER 707 Cb -0.09 0.11 0.12 0.00 0.10 0.00 0.00 66.02 66.26 2wvz s SER 707 CO -0.01 -0.20 0.20 0.12 0.98 0.00 0.00 173.24 174.33 2wvz s PHE 708 N -0.87 2.90 -1.09 5.02 2.19 0.10 -0.59 117.98 125.64 2wvz s PHE 708 Ca -0.10 -2.86 -0.03 0.00 0.33 0.00 0.00 56.93 54.27 2wvz s PHE 708 Cb -0.06 -2.54 0.00 0.00 -1.31 0.00 0.00 43.02 39.12 2wvz s PHE 708 CO -0.00 -0.80 0.93 0.09 1.83 0.00 0.00 175.22 177.27 2wvz n ASN 709 N 3.55 -3.63 0.00 6.13 5.03 -0.27 -2.87 115.26 123.19 2wvz n ASN 709 Ca 0.05 -0.50 0.00 0.00 0.87 0.00 0.00 54.58 55.00 2wvz n ASN 709 Cb 0.35 -4.45 0.00 0.00 -1.02 0.00 0.00 39.78 34.66 2wvz n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvz n GLY 710 N -1.41 2.69 3.70 7.41 0.00 -1.26 -5.02 105.19 111.29 2wvz n GLY 710 Ca -0.14 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2wvz n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvz s ALA 711 N -1.56 3.37 0.36 4.61 0.00 -1.14 -4.98 121.76 122.43 2wvz s ALA 711 Ca 0.00 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.22 2wvz s ALA 711 Cb 0.00 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 2wvz s ALA 711 CO 0.00 -0.54 1.26 -3.47 0.00 0.00 0.00 175.76 173.01 2wvz n ASP 712 N 4.68 2.59 -3.74 0.00 2.03 -1.26 -0.72 116.55 120.13 2wvz n ASP 712 Ca 0.09 1.18 -0.29 0.00 0.52 0.00 0.00 54.79 56.28 2wvz n ASP 712 Cb 0.48 -1.48 -0.16 0.00 -0.72 0.00 0.00 41.12 39.25 2wvz n ASP 712 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2wvz s HIS 713 N -1.13 1.49 -1.35 -0.67 5.65 0.54 -4.78 115.29 115.04 2wvz s HIS 713 Ca 0.57 -1.42 0.11 0.00 0.25 0.00 0.00 55.06 54.58 2wvz s HIS 713 Cb -0.56 -1.45 0.07 0.00 -1.18 0.00 0.00 32.58 29.47 2wvz s HIS 713 CO 0.61 -0.78 0.82 0.25 -0.65 0.00 0.00 174.74 174.99 2wvz n THR 714 N 4.91 0.00 -1.88 0.89 -2.24 -1.26 -3.90 114.28 110.80 2wvz n THR 714 Ca -0.05 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 60.91 2wvz n THR 714 Cb 0.44 1.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.92 2wvz n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wvz s LYS 715 N -1.07 2.88 -0.23 -0.78 1.02 -1.26 -3.47 119.74 116.84 2wvz s LYS 715 Ca 0.13 1.55 0.10 0.00 0.02 0.00 0.00 55.97 57.76 2wvz s LYS 715 Cb 0.09 -1.95 0.65 0.00 -0.52 0.00 0.00 37.83 36.11 2wvz s LYS 715 CO 0.17 -1.21 1.58 0.09 -0.92 0.00 0.00 175.35 175.06 2wvz n ASN 716 N -2.06 4.63 -3.76 2.83 5.03 -0.29 -4.91 115.26 116.73 2wvz n ASN 716 Ca 0.11 -2.88 -0.10 0.00 0.87 0.00 0.00 54.58 52.58 2wvz n ASN 716 Cb 0.51 -0.68 -0.05 0.00 -1.02 0.00 0.00 39.78 38.54 2wvz n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2wvz s TYR 717 N -2.50 -0.01 0.11 3.10 1.13 -1.26 0.34 117.35 118.26 2wvz s TYR 717 Ca 0.45 -0.34 0.08 0.00 -1.41 0.00 0.00 57.07 55.85 2wvz s TYR 717 Cb 0.35 0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 2wvz s TYR 717 CO 0.12 -0.78 -0.19 -0.51 -2.51 0.00 0.00 175.55 171.68 2wvz s LEU 718 N -2.87 2.34 -0.03 -3.49 1.43 0.10 -4.92 118.68 111.24 2wvz s LEU 718 Ca 0.09 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2wvz s LEU 718 Cb 0.01 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 2wvz s LEU 718 CO -0.06 0.00 -0.03 -0.13 0.23 0.00 0.00 176.35 176.37 2wvz s ARG 719 N -2.14 2.76 0.13 1.70 0.52 -1.26 -0.74 118.95 119.91 2wvz s ARG 719 Ca 0.08 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 2wvz s ARG 719 Cb -0.09 -2.63 -0.07 0.00 0.52 0.00 0.00 34.95 32.68 2wvz s ARG 719 CO 0.04 0.64 1.57 1.25 0.02 0.00 0.00 175.30 178.83 2wvz h HIS 720 N 4.71 -1.32 -0.97 -0.53 -0.00 -1.42 -0.75 115.15 114.87 2wvz h HIS 720 Ca -0.49 0.05 0.18 0.00 -0.00 0.00 0.00 60.37 60.12 2wvz h HIS 720 Cb 1.18 0.60 -0.09 0.00 -0.00 0.00 0.00 27.41 29.10 2wvz h HIS 720 CO 0.60 -0.49 0.61 1.49 -0.00 0.00 0.00 177.93 180.14 2wvz h GLU 721 N -0.50 0.67 0.05 5.26 4.81 -1.96 -0.50 114.58 122.42 2wvz h GLU 721 Ca 0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2wvz h GLU 721 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2wvz h GLU 721 CO -0.43 0.44 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.83 2wvz h ASP 722 N 0.69 -0.06 -0.36 1.04 3.32 -1.62 -2.83 116.42 116.60 2wvz h ASP 722 Ca 0.53 -0.45 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2wvz h ASP 722 Cb 0.92 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.40 2wvz h ASP 722 CO -0.30 0.44 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.39 2wvz h LEU 723 N -0.59 -0.68 -2.03 1.55 3.38 -0.81 -0.31 115.31 115.82 2wvz h LEU 723 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wvz h LEU 723 Cb 0.51 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2wvz h LEU 723 CO 0.01 -0.24 0.32 -0.26 0.09 0.00 0.00 178.44 178.37 2wvz h PHE 724 N -0.15 0.00 0.00 1.13 -1.00 -0.96 0.47 116.94 116.44 2wvz h PHE 724 Ca 0.18 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 2wvz h PHE 724 Cb 0.43 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 2wvz h PHE 724 CO -0.42 0.00 -0.12 0.87 -1.61 0.00 0.00 178.31 177.03 2wvz h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -0.80 -3.45 116.57 115.40 2wvz h LYS 725 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wvz h LYS 725 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2wvz h LYS 725 CO -0.00 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 2wvz n GLY 726 N 0.77 -1.90 0.00 3.86 0.00 0.17 -4.80 105.19 103.29 2wvz n GLY 726 Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2wvz n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvz n GLY 727 N 0.00 0.19 2.91 -0.02 0.00 0.15 -4.90 105.19 103.52 2wvz n GLY 727 Ca 0.00 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 2wvz n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wvz s THR 728 N 0.00 -0.16 -0.20 2.61 2.01 -1.26 -0.77 115.64 117.87 2wvz s THR 728 Ca 0.00 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 2wvz s THR 728 Cb 0.00 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 2wvz s THR 728 CO 0.00 0.11 0.18 -0.63 -0.69 0.00 0.00 174.62 173.59 2wvz s ILE 729 N 1.71 5.37 -0.15 1.82 1.01 0.15 -1.12 121.20 129.99 2wvz s ILE 729 Ca -0.04 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2wvz s ILE 729 Cb -0.12 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2wvz s ILE 729 CO -0.06 0.41 -0.00 -0.75 0.00 0.00 0.00 174.94 174.53 2wvz s LYS 730 N 0.54 3.61 -0.16 2.79 2.20 0.24 -0.68 119.74 128.29 2wvz s LYS 730 Ca 0.10 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2wvz s LYS 730 Cb -0.12 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2wvz s LYS 730 CO 0.01 0.35 -0.15 0.08 -0.36 0.00 0.00 175.35 175.28 2wvz s VAL 731 N 0.09 1.67 -0.47 4.02 1.01 0.16 -1.31 120.40 125.57 2wvz s VAL 731 Ca 0.02 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 2wvz s VAL 731 Cb -0.13 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.71 2wvz s VAL 731 CO 0.02 0.46 0.83 -0.62 0.00 0.00 0.00 175.10 175.79 2wvz s ASP 732 N 1.44 6.42 0.11 3.32 2.15 -0.63 -4.29 116.67 125.20 2wvz s ASP 732 Ca 0.05 -0.10 -0.13 0.00 0.43 0.00 0.00 52.55 52.79 2wvz s ASP 732 Cb -0.13 -2.41 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 2wvz s ASP 732 CO -0.11 -0.98 0.50 -0.04 -0.17 0.00 0.00 175.17 174.36 2wvz s MET 733 N 3.47 3.92 0.11 4.34 -1.94 -1.26 -1.18 119.30 126.75 2wvz s MET 733 Ca 0.31 0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 54.54 2wvz s MET 733 Cb -0.12 -2.98 0.03 0.00 2.01 0.00 0.00 34.83 33.77 2wvz s MET 733 CO 0.23 0.52 0.38 0.45 -0.01 0.00 0.00 175.02 176.60 2wvz s SER 734 N -1.66 -0.21 0.00 3.03 0.15 -0.09 -4.81 113.70 110.11 2wvz s SER 734 Ca 0.35 -0.30 0.23 0.00 0.70 0.00 0.00 55.95 56.93 2wvz s SER 734 Cb -0.15 0.45 0.50 0.00 -1.71 0.00 0.00 66.02 65.11 2wvz s SER 734 CO 0.18 -0.81 1.43 -0.46 1.20 0.00 0.00 173.24 174.78 2wvz n ASN 735 N -0.10 2.80 -4.29 5.45 6.94 -1.26 -0.76 115.26 124.04 2wvz n ASN 735 Ca -0.16 -1.89 -0.31 0.00 -0.02 0.00 0.00 54.58 52.20 2wvz n ASN 735 Cb 0.63 -0.14 -0.16 0.00 -2.36 0.00 0.00 39.78 37.75 2wvz n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wvz s ARG 736 N -1.72 2.10 0.38 -3.83 1.81 -1.26 -4.94 118.95 111.49 2wvz s ARG 736 Ca 0.35 -0.90 -0.27 0.00 -1.72 0.00 0.00 55.73 53.19 2wvz s ARG 736 Cb 0.21 -2.00 -0.09 0.00 -0.45 0.00 0.00 34.95 32.61 2wvz s ARG 736 CO 0.30 0.53 1.27 -1.25 -0.68 0.00 0.00 175.30 175.47 2wvz s PRO 737 N -0.54 4.13 -0.61 3.54 0.04 -1.26 -4.84 135.00 135.46 2wvz s PRO 737 Ca 0.08 2.10 -0.21 0.00 0.04 0.00 0.00 61.00 63.02 2wvz s PRO 737 Cb -0.10 -2.86 0.08 0.00 0.04 0.00 0.00 34.50 31.66 2wvz s PRO 737 CO -0.00 -0.33 0.82 1.21 0.04 0.00 0.00 177.00 178.73 2wvz s ASN 738 N -0.74 6.19 0.00 6.66 3.84 -1.26 -4.91 114.94 124.72 2wvz s ASN 738 Ca 0.54 -1.14 0.18 0.00 0.21 0.00 0.00 52.86 52.65 2wvz s ASN 738 Cb -0.37 -2.36 0.89 0.00 -0.55 0.00 0.00 41.25 38.87 2wvz s ASN 738 CO 0.48 -1.23 1.55 0.18 -2.79 0.00 0.00 177.10 175.28 2wvz n LEU 739 N 6.94 0.00 -0.01 3.21 7.99 -1.26 -3.41 117.00 130.47 2wvz n LEU 739 Ca -0.06 0.31 0.08 0.00 -0.01 0.00 0.00 56.01 56.33 2wvz n LEU 739 Cb 0.44 -0.31 -0.13 0.00 -0.11 0.00 0.00 43.42 43.31 2wvz n LEU 739 CO 0.61 -0.12 -0.69 0.59 -1.51 0.00 0.00 177.39 176.26 2wvz n ASN 740 N -1.31 1.21 -4.74 -1.43 3.02 -1.26 -4.94 115.26 105.81 2wvz n ASN 740 Ca 0.08 -0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 2wvz n ASN 740 Cb 0.15 1.75 -0.05 0.00 -0.61 0.00 0.00 39.78 41.03 2wvz n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wvz s ARG 741 N -3.15 4.71 -0.44 3.52 3.52 -1.22 -4.24 118.95 121.65 2wvz s ARG 741 Ca -0.06 1.53 -0.01 0.00 -0.13 0.00 0.00 55.73 57.05 2wvz s ARG 741 Cb 0.11 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2wvz s ARG 741 CO 0.69 0.25 0.18 0.41 -0.81 0.00 0.00 175.30 176.02 2wvz n GLY 742 N 2.03 0.35 0.00 8.12 0.00 -1.23 -4.76 105.19 109.70 2wvz n GLY 742 Ca 0.01 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2wvz n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvz n THR 743 N -3.58 0.00 -2.26 2.61 -2.24 -1.26 -4.63 114.28 102.93 2wvz n THR 743 Ca -0.03 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 2wvz n THR 743 Cb 0.53 0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2wvz n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wvz s LYS 744 N -1.71 3.40 0.50 -0.78 1.02 -1.26 -4.87 119.74 116.03 2wvz s LYS 744 Ca 0.01 1.52 0.16 0.00 0.02 0.00 0.00 55.97 57.67 2wvz s LYS 744 Cb 0.03 -2.02 1.20 0.00 -0.52 0.00 0.00 37.83 36.52 2wvz s LYS 744 CO 0.18 -0.79 2.10 1.49 -0.92 0.00 0.00 175.35 177.41 2wvz h GLU 745 N 1.13 0.12 0.00 1.68 4.22 -1.99 -0.61 114.58 119.13 2wvz h GLU 745 Ca -0.49 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2wvz h GLU 745 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wvz h GLU 745 CO 0.57 0.08 0.00 -0.85 -2.18 0.00 0.00 179.01 176.63 2wvz n GLU 746 N -4.50 0.33 0.10 1.92 0.28 -1.26 -2.78 120.64 114.72 2wvz n GLU 746 Ca 0.01 0.06 0.12 0.00 -0.16 0.00 0.00 57.16 57.19 2wvz n GLU 746 Cb 0.17 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.69 2wvz n GLU 746 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2wvz h ASP 747 N 0.00 0.00 -3.46 -1.84 3.32 -1.44 -3.47 116.42 109.53 2wvz h ASP 747 Ca 0.00 -0.11 -0.52 0.00 0.02 0.00 0.00 57.03 56.42 2wvz h ASP 747 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2wvz h ASP 747 CO 0.00 0.06 0.44 -0.04 -1.72 0.00 0.00 179.24 177.98 2wvz s MET 748 N -3.22 4.59 1.29 3.56 -1.94 -1.12 -1.13 119.30 121.33 2wvz s MET 748 Ca 0.05 1.60 -0.17 0.00 -1.71 0.00 0.00 55.69 55.46 2wvz s MET 748 Cb 0.11 -3.35 0.33 0.00 2.01 0.00 0.00 34.83 33.93 2wvz s MET 748 CO 0.72 0.03 0.97 -2.14 -0.01 0.00 0.00 175.02 174.59 2wvz s PRO 749 N 0.27 -1.94 0.51 2.03 0.02 -1.26 -4.94 135.00 129.69 2wvz s PRO 749 Ca 0.51 0.56 -0.22 0.00 0.02 0.00 0.00 61.00 61.87 2wvz s PRO 749 Cb -0.26 -1.46 -0.06 0.00 0.02 0.00 0.00 34.50 32.74 2wvz s PRO 749 CO 0.31 -4.33 1.29 -0.47 -0.33 0.00 0.00 177.00 173.48 2wvz s TYR 750 N -2.33 2.50 -0.17 6.54 5.04 -1.26 -5.01 117.35 122.65 2wvz s TYR 750 Ca 0.69 1.43 -0.05 0.00 -2.44 0.00 0.00 57.07 56.69 2wvz s TYR 750 Cb -0.21 -3.66 0.08 0.00 0.35 0.00 0.00 41.96 38.52 2wvz s TYR 750 CO 0.63 -2.42 0.31 -1.12 -1.34 0.00 0.00 175.55 171.60 2wvz s SER 751 N -1.07 0.33 0.32 4.32 0.01 -1.26 -4.60 113.70 111.76 2wvz s SER 751 Ca 0.68 0.52 0.11 0.00 1.31 0.00 0.00 55.95 58.57 2wvz s SER 751 Cb -0.37 0.86 0.95 0.00 0.21 0.00 0.00 66.02 67.68 2wvz s SER 751 CO 0.44 -0.26 1.68 0.15 0.41 0.00 0.00 173.24 175.66 2wvz h PHE 752 N 8.25 0.84 -0.62 2.43 3.57 -1.02 0.19 116.94 130.58 2wvz h PHE 752 Ca -0.16 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.47 2wvz h PHE 752 Cb 1.12 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 2wvz h PHE 752 CO 0.29 -0.11 0.25 0.77 -2.23 0.00 0.00 178.31 177.27 2wvz h SER 753 N 0.37 0.27 -0.82 0.41 0.02 -1.91 -1.33 113.55 110.56 2wvz h SER 753 Ca 0.67 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.70 2wvz h SER 753 Cb 1.43 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.97 2wvz h SER 753 CO -0.58 0.16 0.53 0.11 -1.14 0.00 0.00 176.83 175.91 2wvz h LYS 754 N 0.44 1.09 -5.48 3.45 1.57 -1.03 -3.36 116.57 113.25 2wvz h LYS 754 Ca 0.31 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 2wvz h LYS 754 Cb 0.36 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wvz h LYS 754 CO -0.29 0.73 0.76 -1.21 -0.57 0.00 0.00 179.45 178.87 2wvz s GLU 755 N -5.89 1.84 -0.08 3.15 2.02 -0.50 -4.84 118.70 114.39 2wvz s GLU 755 Ca -0.12 0.88 -0.22 0.00 0.02 0.00 0.00 54.97 55.54 2wvz s GLU 755 Cb 0.18 -4.70 0.05 0.00 0.10 0.00 0.00 34.13 29.76 2wvz s GLU 755 CO 0.80 -3.91 0.50 -0.48 0.02 0.00 0.00 175.26 172.19 2wvz s LEU 756 N 13.56 0.07 0.00 1.80 0.05 -1.26 -4.64 118.68 128.26 2wvz s LEU 756 Ca 0.94 0.59 0.00 0.00 0.05 0.00 0.00 54.13 55.71 2wvz s LEU 756 Cb -0.15 1.87 0.00 0.00 -2.05 0.00 0.00 46.19 45.87 2wvz s LEU 756 CO 0.16 -0.43 0.00 -0.62 -0.55 0.00 0.00 176.35 174.91 2wvz n GLU 757 N 1.58 0.00 -1.03 1.48 1.02 -1.26 -5.09 120.64 117.35 2wvz n GLU 757 Ca -0.18 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.61 2wvz n GLU 757 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.88 2wvz n GLU 757 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wvz n HIS 758 N -0.11 0.56 0.71 -0.32 8.25 -1.26 -4.83 115.22 118.21 2wvz n HIS 758 Ca 0.00 0.37 0.13 0.00 -0.26 0.00 0.00 57.72 57.96 2wvz n HIS 758 Cb 0.00 -1.71 0.37 0.00 1.12 0.00 0.00 29.99 29.77 2wvz n HIS 758 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wvz n HIS 759 N 6.89 0.58 1.00 4.41 8.25 -1.26 -3.68 115.22 131.40 2wvz n HIS 759 Ca 0.45 0.17 0.14 0.00 -0.26 0.00 0.00 57.72 58.22 2wvz n HIS 759 Cb 0.00 -0.73 0.58 0.00 1.12 0.00 0.00 29.99 30.97 2wvz n HIS 759 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2wvz n HIS 760 N -2.02 0.01 1.15 4.41 1.44 -1.26 -3.66 115.22 115.29 2wvz n HIS 760 Ca 0.05 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.86 2wvz n HIS 760 Cb 0.41 -0.48 0.54 0.00 0.12 0.00 0.00 29.99 30.58 2wvz n HIS 760 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25