#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww3 s ASP 21 N 0.00 6.22 -0.00 4.39 2.15 -1.26 -4.98 116.67 123.18 2ww3 s ASP 21 Ca 0.00 0.39 0.06 0.00 0.43 0.00 0.00 52.55 53.43 2ww3 s ASP 21 Cb 0.00 -2.01 -0.09 0.00 -0.30 0.00 0.00 42.92 40.53 2ww3 s ASP 21 CO 0.00 0.37 0.19 0.79 -0.17 0.00 0.00 175.17 176.35 2ww3 n TRP 22 N 2.26 0.00 0.26 -5.34 8.01 -1.26 -4.57 117.44 116.80 2ww3 n TRP 22 Ca -0.19 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.12 2ww3 n TRP 22 Cb 0.54 -0.08 0.71 0.00 -2.01 0.00 0.00 31.31 30.47 2ww3 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww3 h THR 23 N 0.00 0.61 -0.04 -0.99 1.35 -1.93 -1.59 112.91 110.31 2ww3 h THR 23 Ca 0.00 -0.53 0.01 0.00 -0.55 0.00 0.00 66.41 65.34 2ww3 h THR 23 Cb 0.23 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2ww3 h THR 23 CO 0.00 0.12 0.11 0.06 -0.25 0.00 0.00 175.52 175.56 2ww3 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.02 -0.40 115.11 120.48 2ww3 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww3 h GLN 24 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 2ww3 h GLN 24 CO 0.02 0.00 -0.78 0.66 0.09 0.00 0.00 178.83 178.82 2ww3 n TYR 25 N -3.33 0.28 -2.84 0.06 4.01 -0.60 -4.91 117.16 109.83 2ww3 n TYR 25 Ca -0.02 0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 2ww3 n TYR 25 Cb 0.19 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 38.75 2ww3 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww3 s VAL 26 N -3.13 4.87 -0.50 -0.72 1.01 -0.16 -4.22 120.40 117.55 2ww3 s VAL 26 Ca 0.06 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.76 2ww3 s VAL 26 Cb 0.15 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.47 2ww3 s VAL 26 CO 0.76 0.05 0.31 0.21 0.00 0.00 0.00 175.10 176.43 2ww3 s ASN 27 N 1.10 5.33 0.07 3.32 2.47 -1.26 -4.80 114.94 121.16 2ww3 s ASN 27 Ca 0.42 -2.32 0.11 0.00 0.42 0.00 0.00 52.86 51.49 2ww3 s ASN 27 Cb -0.17 -1.87 0.51 0.00 -1.45 0.00 0.00 41.25 38.27 2ww3 s ASN 27 CO 0.15 -0.50 1.36 -2.65 -3.72 0.00 0.00 177.10 171.74 2ww3 n PRO 28 N 4.23 0.04 0.00 0.43 -0.02 -1.26 -1.51 135.00 136.90 2ww3 n PRO 28 Ca 0.01 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2ww3 n PRO 28 Cb 0.40 -1.60 0.47 0.00 -0.02 0.00 0.00 33.50 32.76 2ww3 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww3 n LEU 29 N -1.67 0.76 -4.63 2.45 4.77 -1.26 -3.55 117.00 113.86 2ww3 n LEU 29 Ca 0.02 -0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 2ww3 n LEU 29 Cb 0.11 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2ww3 n LEU 29 CO 0.09 0.14 1.52 -0.32 -1.33 0.00 0.00 177.39 177.49 2ww3 s MET 30 N -2.52 3.77 0.00 3.23 1.75 -0.57 -1.73 119.30 123.23 2ww3 s MET 30 Ca 0.25 1.99 0.00 0.00 -1.25 0.00 0.00 55.69 56.69 2ww3 s MET 30 Cb 0.19 -4.13 0.00 0.00 2.84 0.00 0.00 34.83 33.74 2ww3 s MET 30 CO 0.51 -1.35 0.00 0.41 -0.65 0.00 0.00 175.02 173.94 2ww3 n GLY 31 N 4.81 0.58 0.20 2.11 0.00 0.24 -4.75 105.19 108.38 2ww3 n GLY 31 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2ww3 n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ww3 h SER 32 N 0.00 0.00 -0.40 1.61 4.64 -0.84 -1.75 113.55 116.80 2ww3 h SER 32 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 2ww3 h SER 32 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2ww3 h SER 32 CO 0.00 0.04 2.91 1.67 -0.87 0.00 0.00 176.83 180.57 2ww3 n GLN 33 N -3.05 3.23 -4.24 4.77 7.27 -0.71 -1.37 117.38 123.27 2ww3 n GLN 33 Ca 0.03 -2.83 -0.21 0.00 0.07 0.00 0.00 57.00 54.06 2ww3 n GLN 33 Cb 0.55 -3.11 -0.12 0.00 2.41 0.00 0.00 30.24 29.97 2ww3 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww3 s SER 34 N 2.35 2.19 0.20 1.69 0.01 -1.26 -4.43 113.70 114.46 2ww3 s SER 34 Ca 0.48 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.07 2ww3 s SER 34 Cb 0.14 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 2ww3 s SER 34 CO -0.06 -0.01 0.03 0.42 0.41 0.00 0.00 173.24 174.03 2ww3 s THR 35 N -1.34 0.67 0.24 1.44 -4.23 -0.92 -4.90 115.64 106.60 2ww3 s THR 35 Ca 0.04 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 2ww3 s THR 35 Cb -0.09 -2.30 0.21 0.00 1.34 0.00 0.00 72.50 71.66 2ww3 s THR 35 CO 0.04 -0.31 1.80 0.15 -0.54 0.00 0.00 174.62 175.76 2ww3 h PHE 36 N 2.58 0.83 0.00 3.99 3.57 -2.02 -2.81 116.94 123.08 2ww3 h PHE 36 Ca -0.37 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.03 2ww3 h PHE 36 Cb 1.22 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2ww3 h PHE 36 CO 0.51 0.33 -0.60 0.93 -2.23 0.00 0.00 178.31 177.25 2ww3 h GLU 37 N 0.76 0.00 -2.03 1.11 3.07 -1.96 -3.40 114.58 112.13 2ww3 h GLU 37 Ca 0.40 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.16 2ww3 h GLU 37 Cb 0.39 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.02 2ww3 h GLU 37 CO -0.26 0.60 -0.40 -1.17 -1.40 0.00 0.00 179.01 176.38 2ww3 s LEU 38 N -6.95 -0.74 0.10 1.33 2.96 -1.06 -4.25 118.68 110.07 2ww3 s LEU 38 Ca 0.01 0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 54.36 2ww3 s LEU 38 Cb 0.10 1.36 -0.07 0.00 0.50 0.00 0.00 46.19 48.09 2ww3 s LEU 38 CO 0.75 -0.27 0.60 -0.55 -1.32 0.00 0.00 176.35 175.56 2ww3 s SER 39 N 2.62 7.09 -0.18 3.68 0.15 -1.24 -2.17 113.70 123.65 2ww3 s SER 39 Ca 0.08 1.30 0.14 0.00 0.70 0.00 0.00 55.95 58.17 2ww3 s SER 39 Cb -0.14 -2.37 0.37 0.00 -1.71 0.00 0.00 66.02 62.17 2ww3 s SER 39 CO -0.15 0.24 1.21 0.35 1.20 0.00 0.00 173.24 176.09 2ww3 n THR 40 N 1.59 2.10 0.00 6.45 -2.24 -1.26 -3.35 114.28 117.57 2ww3 n THR 40 Ca -0.09 -2.78 0.00 0.00 -2.27 0.00 0.00 64.05 58.91 2ww3 n THR 40 Cb 0.51 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2ww3 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww3 n GLY 41 N -1.24 2.62 3.97 3.38 0.00 -1.07 -1.16 105.19 111.70 2ww3 n GLY 41 Ca 0.18 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2ww3 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww3 n ASN 42 N 0.00 -4.33 -4.72 1.61 3.02 -0.95 -1.74 115.26 108.15 2ww3 n ASN 42 Ca 0.00 -1.22 -0.26 0.00 -0.03 0.00 0.00 54.58 53.07 2ww3 n ASN 42 Cb 0.00 -2.16 -0.08 0.00 -0.61 0.00 0.00 39.78 36.93 2ww3 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww3 s THR 43 N -3.53 2.17 0.18 3.41 -4.23 -0.70 -4.63 115.64 108.31 2ww3 s THR 43 Ca 0.48 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2ww3 s THR 43 Cb -0.24 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 2ww3 s THR 43 CO 0.94 0.00 -0.06 -0.72 -0.54 0.00 0.00 174.62 174.24 2ww3 s TYR 44 N -2.64 1.37 -0.64 3.99 1.13 -1.26 -3.94 117.35 115.35 2ww3 s TYR 44 Ca 0.38 -0.84 -0.27 0.00 -1.41 0.00 0.00 57.07 54.94 2ww3 s TYR 44 Cb 0.05 -0.74 -0.01 0.00 -1.10 0.00 0.00 41.96 40.16 2ww3 s TYR 44 CO 0.21 0.02 1.74 -2.14 -2.51 0.00 0.00 175.55 172.86 2ww3 s PRO 45 N -3.80 2.75 -0.77 -3.49 0.02 -1.23 -4.91 135.00 123.55 2ww3 s PRO 45 Ca 0.21 0.41 -0.26 0.00 0.02 0.00 0.00 61.00 61.39 2ww3 s PRO 45 Cb 0.04 -4.35 0.03 0.00 0.02 0.00 0.00 34.50 30.23 2ww3 s PRO 45 CO 0.04 -2.62 1.39 0.00 -0.33 0.00 0.00 177.00 175.48 2ww3 s ALA 46 N 8.37 2.65 -0.31 -1.55 0.00 -1.26 -4.45 121.76 125.21 2ww3 s ALA 46 Ca 0.60 -1.43 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 2ww3 s ALA 46 Cb -0.12 -4.32 -0.00 0.00 0.00 0.00 0.00 23.12 18.69 2ww3 s ALA 46 CO 0.19 -3.45 0.71 0.42 0.00 0.00 0.00 175.76 173.64 2ww3 s ILE 47 N 6.11 4.85 0.06 0.00 -1.09 -0.46 -4.76 121.20 125.91 2ww3 s ILE 47 Ca 0.41 0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 59.54 2ww3 s ILE 47 Cb -0.07 -4.09 0.10 0.00 -1.58 0.00 0.00 42.46 36.82 2ww3 s ILE 47 CO 0.11 -0.23 1.15 0.00 -1.23 0.00 0.00 174.94 174.75 2ww3 s ALA 48 N 2.81 -1.99 0.24 9.38 0.00 -0.38 -1.44 121.76 130.38 2ww3 s ALA 48 Ca 0.29 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.67 2ww3 s ALA 48 Cb -0.14 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2ww3 s ALA 48 CO 0.13 -1.05 0.42 1.03 0.00 0.00 0.00 175.76 176.28 2ww3 s ARG 49 N -2.75 3.50 0.20 0.00 1.81 -1.26 -4.49 118.95 115.96 2ww3 s ARG 49 Ca 0.14 -0.42 -0.31 0.00 -1.72 0.00 0.00 55.73 53.42 2ww3 s ARG 49 Cb 0.02 -2.81 -0.16 0.00 -0.45 0.00 0.00 34.95 31.56 2ww3 s ARG 49 CO -0.01 0.35 1.05 -2.30 -0.68 0.00 0.00 175.30 173.71 2ww3 n PRO 50 N -1.07 1.03 -1.96 3.54 -0.02 -1.26 -0.62 135.00 134.63 2ww3 n PRO 50 Ca -0.06 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 2ww3 n PRO 50 Cb 0.55 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2ww3 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww3 n TRP 51 N 1.03 -1.00 -1.79 6.00 8.01 -0.07 -4.89 117.44 124.73 2ww3 n TRP 51 Ca 0.14 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.93 2ww3 n TRP 51 Cb 0.26 -2.56 0.01 0.00 -2.01 0.00 0.00 31.31 27.00 2ww3 n TRP 51 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2ww3 s GLY 52 N -2.02 2.94 0.16 6.99 0.00 0.21 -0.56 107.32 115.04 2ww3 s GLY 52 Ca 0.00 1.55 -0.10 0.00 0.00 0.00 0.00 44.72 46.17 2ww3 s GLY 52 CO 0.00 2.21 1.56 1.98 0.00 0.00 0.00 173.10 178.86 2ww3 h MET 53 N 2.77 1.00 -5.11 2.90 4.05 -1.28 -3.39 114.93 115.87 2ww3 h MET 53 Ca -0.51 -0.42 -0.66 0.00 -0.28 0.00 0.00 59.70 57.83 2ww3 h MET 53 Cb 1.25 -0.04 -0.30 0.00 -0.80 0.00 0.00 31.60 31.71 2ww3 h MET 53 CO 0.63 1.10 -0.79 -0.80 0.23 0.00 0.00 176.91 177.28 2ww3 s ASN 54 N -6.72 3.77 0.15 1.39 0.01 -0.94 -4.91 114.94 107.70 2ww3 s ASN 54 Ca -0.11 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.57 2ww3 s ASN 54 Cb 0.12 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.14 2ww3 s ASN 54 CO 0.87 0.04 0.31 -0.36 -1.51 0.00 0.00 177.10 176.45 2ww3 s PHE 55 N 1.08 3.49 -0.03 2.20 0.08 -1.10 -4.69 117.98 119.02 2ww3 s PHE 55 Ca -0.00 0.22 0.06 0.00 0.12 0.00 0.00 56.93 57.33 2ww3 s PHE 55 Cb -0.14 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2ww3 s PHE 55 CO -0.03 0.48 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.78 2ww3 s TRP 56 N -1.74 1.97 0.00 0.36 0.52 -0.52 -0.78 118.94 118.75 2ww3 s TRP 56 Ca 0.36 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.00 2ww3 s TRP 56 Cb -0.11 -1.29 -0.00 0.00 -1.15 0.00 0.00 33.47 30.91 2ww3 s TRP 56 CO 0.28 -0.11 -0.00 -0.08 0.02 0.00 0.00 176.95 177.06 2ww3 s THR 57 N -0.27 0.02 0.41 2.01 -1.32 -0.14 -1.35 115.64 115.00 2ww3 s THR 57 Ca 0.02 -0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.16 2ww3 s THR 57 Cb -0.10 -0.04 -0.10 0.00 -1.51 0.00 0.00 72.50 70.74 2ww3 s THR 57 CO 0.01 -0.03 1.32 -0.81 -2.21 0.00 0.00 174.62 172.89 2ww3 n PRO 58 N 2.96 2.07 -4.01 7.08 -0.04 -1.26 -0.97 135.00 140.83 2ww3 n PRO 58 Ca -0.13 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 2ww3 n PRO 58 Cb 0.60 -2.43 -0.15 0.00 -0.04 0.00 0.00 33.50 31.47 2ww3 n PRO 58 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2ww3 s GLN 59 N -2.18 2.65 -0.07 0.54 0.74 0.07 -4.58 119.66 116.83 2ww3 s GLN 59 Ca 0.59 -1.09 0.21 0.00 0.05 0.00 0.00 55.36 55.12 2ww3 s GLN 59 Cb -0.51 -2.91 -0.29 0.00 1.10 0.00 0.00 33.01 30.40 2ww3 s GLN 59 CO 0.59 -0.44 0.39 0.25 -0.55 0.00 0.00 175.29 175.53 2ww3 n THR 60 N 4.59 0.50 -2.12 -0.34 -2.24 0.13 -1.36 114.28 113.43 2ww3 n THR 60 Ca -0.16 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 2ww3 n THR 60 Cb 0.46 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2ww3 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww3 s GLY 61 N -4.82 1.65 0.61 3.38 0.00 -0.18 -4.77 107.32 103.18 2ww3 s GLY 61 Ca -0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.29 2ww3 s GLY 61 CO 0.88 0.05 1.10 0.54 0.00 0.00 0.00 173.10 175.67 2ww3 s LYS 62 N -4.97 3.10 -0.04 2.90 1.02 -1.26 -4.91 119.74 115.57 2ww3 s LYS 62 Ca 0.53 1.38 -0.39 0.00 0.02 0.00 0.00 55.97 57.51 2ww3 s LYS 62 Cb -0.11 -1.99 -0.18 0.00 -0.52 0.00 0.00 37.83 35.03 2ww3 s LYS 62 CO 0.50 -1.01 1.32 -0.12 -0.92 0.00 0.00 175.35 175.11 2ww3 n MET 63 N -2.02 0.65 0.00 1.68 0.00 -1.26 -1.74 117.12 114.43 2ww3 n MET 63 Ca 0.10 0.23 0.00 0.00 -0.00 0.00 0.00 57.70 58.04 2ww3 n MET 63 Cb 0.52 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.92 2ww3 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww3 n GLY 64 N 2.49 2.83 3.71 -5.12 0.00 -1.26 -5.04 105.19 102.81 2ww3 n GLY 64 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2ww3 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww3 s ASP 65 N -1.36 6.98 0.52 1.61 -1.08 -0.71 -4.90 116.67 117.73 2ww3 s ASP 65 Ca 0.00 2.12 0.27 0.00 -0.52 0.00 0.00 52.55 54.42 2ww3 s ASP 65 Cb 0.00 -2.58 1.45 0.00 -1.46 0.00 0.00 42.92 40.33 2ww3 s ASP 65 CO 0.00 -0.54 2.08 1.23 0.52 0.00 0.00 175.17 178.46 2ww3 h GLY 66 N 6.88 0.00 -6.72 2.66 0.00 -1.90 -3.23 103.07 100.76 2ww3 h GLY 66 Ca -0.41 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.18 2ww3 h GLY 66 CO 0.83 0.00 2.23 0.79 0.00 0.00 0.00 176.54 180.39 2ww3 n TRP 67 N -3.71 3.67 0.14 5.60 8.01 -1.26 -4.41 117.44 125.47 2ww3 n TRP 67 Ca -0.02 -2.95 0.02 0.00 -1.31 0.00 0.00 57.50 53.24 2ww3 n TRP 67 Cb 0.22 -2.24 0.06 0.00 -2.01 0.00 0.00 31.31 27.35 2ww3 n TRP 67 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2ww3 h GLN 68 N 6.28 0.00 -3.97 -0.99 3.07 -1.92 -3.35 115.11 114.22 2ww3 h GLN 68 Ca 0.43 0.00 -0.43 0.00 0.09 0.00 0.00 58.65 58.75 2ww3 h GLN 68 Cb 0.70 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 27.91 2ww3 h GLN 68 CO 1.61 0.55 -0.77 -0.47 0.09 0.00 0.00 178.83 179.84 2ww3 s TYR 69 N -3.05 0.81 -0.01 0.06 5.04 -1.26 0.18 117.35 119.11 2ww3 s TYR 69 Ca 0.03 -0.25 0.05 0.00 -2.44 0.00 0.00 57.07 54.46 2ww3 s TYR 69 Cb 0.09 -0.76 -0.01 0.00 0.35 0.00 0.00 41.96 41.63 2ww3 s TYR 69 CO 0.74 -0.25 -0.16 0.95 -1.34 0.00 0.00 175.55 175.49 2ww3 s THR 70 N 1.24 1.25 0.43 4.34 -4.23 -1.26 -4.76 115.64 112.65 2ww3 s THR 70 Ca -0.06 -0.67 0.12 0.00 -1.18 0.00 0.00 61.69 59.90 2ww3 s THR 70 Cb -0.14 -1.05 0.31 0.00 1.34 0.00 0.00 72.50 72.97 2ww3 s THR 70 CO -0.02 0.36 2.00 0.22 -0.54 0.00 0.00 174.62 176.64 2ww3 h TYR 71 N 5.78 0.45 0.00 3.99 5.03 -1.57 -2.25 116.97 128.40 2ww3 h TYR 71 Ca -0.35 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.97 2ww3 h TYR 71 Cb 1.16 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.29 2ww3 h TYR 71 CO 0.40 0.23 -0.19 0.25 -1.32 0.00 0.00 178.16 177.53 2ww3 n THR 72 N -4.47 0.01 -1.74 1.81 -2.24 -1.26 -4.88 114.28 101.50 2ww3 n THR 72 Ca 0.08 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2ww3 n THR 72 Cb 0.29 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2ww3 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww3 n ALA 73 N -1.51 1.92 0.12 6.98 0.00 -0.85 -4.92 120.51 122.25 2ww3 n ALA 73 Ca 0.06 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.88 2ww3 n ALA 73 Cb 0.34 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.45 2ww3 n ALA 73 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ww3 h ASN 74 N 2.79 0.00 -4.01 0.00 2.35 -1.89 -3.49 115.58 111.33 2ww3 h ASN 74 Ca -0.49 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 54.84 2ww3 h ASN 74 Cb 1.26 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.34 2ww3 h ASN 74 CO 0.63 0.47 -0.79 -0.54 -1.65 0.00 0.00 177.43 175.55 2ww3 s LYS 75 N -2.99 0.89 -0.14 0.81 1.02 -1.26 -1.85 119.74 116.23 2ww3 s LYS 75 Ca 0.02 -0.36 -0.07 0.00 0.02 0.00 0.00 55.97 55.58 2ww3 s LYS 75 Cb 0.08 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 2ww3 s LYS 75 CO 0.76 0.20 0.11 0.42 -0.92 0.00 0.00 175.35 175.92 2ww3 s ILE 76 N -0.12 5.26 -0.17 2.17 1.01 -0.23 -4.31 121.20 124.81 2ww3 s ILE 76 Ca 0.02 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.81 2ww3 s ILE 76 Cb -0.05 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.11 2ww3 s ILE 76 CO -0.00 0.56 0.43 -2.11 0.00 0.00 0.00 174.94 173.82 2ww3 n ARG 77 N 2.51 0.99 0.00 2.79 1.85 -0.47 -1.12 116.66 123.21 2ww3 n ARG 77 Ca -0.19 -0.45 0.00 0.00 -1.00 0.00 0.00 57.85 56.21 2ww3 n ARG 77 Cb 0.54 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 2ww3 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww3 n GLY 78 N 0.32 -0.17 3.18 2.89 0.00 -1.22 -4.77 105.19 105.42 2ww3 n GLY 78 Ca 0.01 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2ww3 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 79 N -2.00 2.85 -0.06 1.61 0.40 0.42 -0.75 117.98 120.44 2ww3 s PHE 79 Ca 0.00 -1.43 0.05 0.00 -0.60 0.00 0.00 56.93 54.95 2ww3 s PHE 79 Cb 0.00 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 2ww3 s PHE 79 CO 0.00 -0.72 -0.23 0.21 0.70 0.00 0.00 175.22 175.17 2ww3 s LYS 80 N 1.35 2.48 -0.04 0.44 2.20 -0.14 -1.40 119.74 124.63 2ww3 s LYS 80 Ca 0.05 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 2ww3 s LYS 80 Cb -0.14 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2ww3 s LYS 80 CO -0.09 0.32 0.98 -1.14 -0.36 0.00 0.00 175.35 175.06 2ww3 s GLN 81 N -0.04 4.50 0.04 4.03 0.74 0.04 -0.96 119.66 128.00 2ww3 s GLN 81 Ca -0.06 1.39 0.02 0.00 0.05 0.00 0.00 55.36 56.76 2ww3 s GLN 81 Cb -0.14 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 2ww3 s GLN 81 CO 0.04 -0.15 -0.07 -0.08 -0.55 0.00 0.00 175.29 174.48 2ww3 s THR 82 N 1.39 0.48 0.00 -0.34 -1.32 0.04 -3.52 115.64 112.37 2ww3 s THR 82 Ca 0.50 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2ww3 s THR 82 Cb -0.20 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 2ww3 s THR 82 CO 0.24 -0.43 0.67 1.41 -2.21 0.00 0.00 174.62 174.30 2ww3 n HIS 83 N 1.41 0.00 -1.87 9.09 8.25 -1.25 -2.69 115.22 128.16 2ww3 n HIS 83 Ca -0.22 -0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 56.60 2ww3 n HIS 83 Cb 0.55 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 2ww3 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ww3 s GLN 84 N -0.43 4.18 0.11 -0.41 0.74 -1.26 -4.91 119.66 117.68 2ww3 s GLN 84 Ca 0.00 2.42 0.16 0.00 0.05 0.00 0.00 55.36 57.99 2ww3 s GLN 84 Cb 0.00 -3.44 -0.09 0.00 1.10 0.00 0.00 33.01 30.58 2ww3 s GLN 84 CO 0.00 -0.73 0.98 -1.00 -0.55 0.00 0.00 175.29 173.99 2ww3 h PRO 85 N 7.86 0.00 -2.76 1.67 0.13 -1.90 -3.49 132.00 133.50 2ww3 h PRO 85 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2ww3 h PRO 85 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2ww3 h PRO 85 CO 0.93 0.36 0.30 -1.54 -0.23 0.00 0.00 178.00 177.83 2ww3 s SER 86 N -5.97 -0.50 0.57 1.44 1.04 -1.26 -4.55 113.70 104.47 2ww3 s SER 86 Ca -0.01 0.00 0.25 0.00 0.48 0.00 0.00 55.95 56.67 2ww3 s SER 86 Cb 0.08 0.53 1.65 0.00 0.10 0.00 0.00 66.02 68.39 2ww3 s SER 86 CO 0.80 -0.85 2.22 1.55 0.98 0.00 0.00 173.24 177.94 2ww3 h PRO 87 N 2.00 0.00 0.18 4.02 0.13 -1.82 -0.46 132.00 136.05 2ww3 h PRO 87 Ca -0.30 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.52 2ww3 h PRO 87 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 2ww3 h PRO 87 CO 0.36 0.00 -1.41 -1.49 -0.23 0.00 0.00 178.00 175.23 2ww3 h TRP 88 N 0.00 0.69 0.06 1.56 4.06 -1.95 -3.30 115.95 117.07 2ww3 h TRP 88 Ca -0.00 -0.50 -0.24 0.00 2.06 0.00 0.00 58.89 60.21 2ww3 h TRP 88 Cb 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2ww3 h TRP 88 CO 0.00 1.43 -1.10 0.82 -3.56 0.00 0.00 178.44 176.02 2ww3 h ILE 89 N 0.10 1.60 -0.65 1.49 1.08 -1.91 -3.50 117.51 115.73 2ww3 h ILE 89 Ca -0.21 -3.19 0.00 0.00 -0.39 0.00 0.00 64.86 61.08 2ww3 h ILE 89 Cb 2.06 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 38.67 2ww3 h ILE 89 CO 0.22 0.92 0.00 -3.20 -0.69 0.00 0.00 178.15 175.40 2ww3 n ASN 90 N -3.46 -1.94 -4.64 1.72 2.85 -0.20 -4.85 115.26 104.74 2ww3 n ASN 90 Ca -0.04 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.15 2ww3 n ASN 90 Cb 0.97 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.88 2ww3 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww3 s ASP 91 N -4.00 3.97 0.01 1.20 -1.08 -1.26 -4.29 116.67 111.21 2ww3 s ASP 91 Ca 0.00 -1.31 -0.28 0.00 -0.52 0.00 0.00 52.55 50.44 2ww3 s ASP 91 Cb 0.00 -0.41 0.09 0.00 -1.46 0.00 0.00 42.92 41.14 2ww3 s ASP 91 CO 0.00 -0.46 0.81 -0.72 0.52 0.00 0.00 175.17 175.32 2ww3 s TYR 92 N -2.69 -0.43 -0.99 -5.34 1.13 -1.26 -2.59 117.35 105.19 2ww3 s TYR 92 Ca 0.36 0.39 -0.02 0.00 -1.41 0.00 0.00 57.07 56.39 2ww3 s TYR 92 Cb 0.09 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.44 2ww3 s TYR 92 CO 0.19 -0.60 0.84 0.41 -2.51 0.00 0.00 175.55 173.89 2ww3 n GLY 93 N -0.03 -0.54 3.11 5.49 0.00 -1.24 -3.94 105.19 108.03 2ww3 n GLY 93 Ca -0.12 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2ww3 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww3 s GLN 94 N -4.76 1.93 0.29 1.61 -2.07 -1.26 -4.46 119.66 110.94 2ww3 s GLN 94 Ca 0.18 -0.57 -0.15 0.00 -1.82 0.00 0.00 55.36 52.99 2ww3 s GLN 94 Cb -0.02 -1.60 0.01 0.00 -1.09 0.00 0.00 33.01 30.31 2ww3 s GLN 94 CO 0.64 0.16 0.61 -0.59 -1.32 0.00 0.00 175.29 174.79 2ww3 s PHE 95 N 0.31 0.19 0.21 9.60 -0.71 -1.23 -4.57 117.98 121.78 2ww3 s PHE 95 Ca -0.10 -0.63 -0.12 0.00 -1.04 0.00 0.00 56.93 55.04 2ww3 s PHE 95 Cb -0.14 0.45 -0.00 0.00 -1.21 0.00 0.00 43.02 42.12 2ww3 s PHE 95 CO 0.04 -1.18 0.41 -1.54 -1.34 0.00 0.00 175.22 171.61 2ww3 s SER 96 N -3.01 -0.08 0.01 1.98 1.04 -0.30 -0.78 113.70 112.56 2ww3 s SER 96 Ca 0.18 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.80 2ww3 s SER 96 Cb -0.03 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2ww3 s SER 96 CO 0.10 -1.03 -0.07 -0.51 0.98 0.00 0.00 173.24 172.70 2ww3 s ILE 97 N -3.98 0.53 -0.15 -1.02 2.07 -0.49 -0.37 121.20 117.79 2ww3 s ILE 97 Ca 0.18 -0.57 -0.06 0.00 -1.41 0.00 0.00 60.65 58.80 2ww3 s ILE 97 Cb 0.01 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.16 2ww3 s ILE 97 CO 0.04 -0.04 0.33 -0.32 -1.91 0.00 0.00 174.94 173.03 2ww3 s MET 98 N -0.67 0.26 0.25 3.50 -2.45 -0.20 -0.44 119.30 119.55 2ww3 s MET 98 Ca -0.02 0.77 -0.10 0.00 -1.25 0.00 0.00 55.69 55.10 2ww3 s MET 98 Cb -0.05 0.03 -0.07 0.00 1.25 0.00 0.00 34.83 35.99 2ww3 s MET 98 CO 0.00 -0.22 0.58 -1.25 1.05 0.00 0.00 175.02 175.18 2ww3 s PRO 99 N 1.96 3.80 0.28 4.11 0.04 -1.26 -0.27 135.00 143.66 2ww3 s PRO 99 Ca -0.04 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.17 2ww3 s PRO 99 Cb -0.11 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2ww3 s PRO 99 CO -0.10 0.28 0.52 0.96 0.04 0.00 0.00 177.00 178.69 2ww3 s ILE 100 N -1.88 0.00 0.18 0.56 -4.36 -0.69 -4.95 121.20 110.05 2ww3 s ILE 100 Ca 0.48 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.48 2ww3 s ILE 100 Cb -0.11 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 2ww3 s ILE 100 CO 0.22 0.00 0.09 0.68 0.24 0.00 0.00 174.94 176.17 2ww3 s VAL 101 N -3.69 0.11 0.00 8.37 -7.23 -1.26 -1.25 120.40 115.44 2ww3 s VAL 101 Ca 0.23 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2ww3 s VAL 101 Cb -0.01 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2ww3 s VAL 101 CO 0.11 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 2ww3 n GLY 102 N -0.22 1.17 3.83 2.32 0.00 -0.87 -4.93 105.19 106.50 2ww3 n GLY 102 Ca -0.01 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 2ww3 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 103 N 0.00 4.08 -0.63 1.61 -1.52 -1.26 -4.81 119.66 117.14 2ww3 s GLN 103 Ca 0.00 0.63 -0.27 0.00 -1.95 0.00 0.00 55.36 53.77 2ww3 s GLN 103 Cb 0.00 -2.95 0.01 0.00 -0.22 0.00 0.00 33.01 29.85 2ww3 s GLN 103 CO 0.00 0.47 1.51 -1.25 -0.25 0.00 0.00 175.29 175.77 2ww3 s PRO 104 N -1.87 3.07 -0.03 2.91 0.04 -1.26 -4.97 135.00 132.88 2ww3 s PRO 104 Ca 0.38 0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2ww3 s PRO 104 Cb -0.16 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.13 2ww3 s PRO 104 CO 0.20 -2.24 -0.18 0.14 0.04 0.00 0.00 177.00 174.96 2ww3 s VAL 105 N 6.86 2.72 -0.19 -0.36 -7.23 -1.26 -5.02 120.40 115.92 2ww3 s VAL 105 Ca 0.52 -0.89 0.16 0.00 -1.81 0.00 0.00 61.98 59.95 2ww3 s VAL 105 Cb -0.11 -2.04 -0.24 0.00 0.56 0.00 0.00 36.38 34.55 2ww3 s VAL 105 CO 0.21 0.56 0.09 0.33 -0.31 0.00 0.00 175.10 175.98 2ww3 n PHE 106 N 2.26 0.10 -1.63 2.82 7.35 -1.26 -4.76 117.46 122.34 2ww3 n PHE 106 Ca -0.17 0.03 -0.52 0.00 -0.76 0.00 0.00 57.45 56.04 2ww3 n PHE 106 Cb 0.52 -1.02 -0.06 0.00 0.35 0.00 0.00 39.48 39.27 2ww3 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww3 n ASP 107 N -2.84 2.06 0.07 -2.13 -0.08 -1.26 -4.81 116.55 107.57 2ww3 n ASP 107 Ca -0.33 1.10 0.08 0.00 -1.51 0.00 0.00 54.79 54.13 2ww3 n ASP 107 Cb 1.13 -1.22 0.35 0.00 2.34 0.00 0.00 41.12 43.72 2ww3 n ASP 107 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ww3 n GLU 108 N 3.37 0.08 -0.12 -0.67 0.28 -1.26 -1.62 120.64 120.70 2ww3 n GLU 108 Ca 0.20 0.44 -0.25 0.00 -0.16 0.00 0.00 57.16 57.38 2ww3 n GLU 108 Cb 0.20 -1.70 -0.11 0.00 1.43 0.00 0.00 31.44 31.26 2ww3 n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ww3 n GLU 109 N -1.87 0.58 0.26 3.44 1.02 -1.26 -4.06 120.64 118.75 2ww3 n GLU 109 Ca 0.01 0.43 0.10 0.00 -0.02 0.00 0.00 57.16 57.68 2ww3 n GLU 109 Cb 0.12 -1.63 0.70 0.00 -0.02 0.00 0.00 31.44 30.61 2ww3 n GLU 109 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ww3 h LYS 110 N -0.97 0.00 0.00 3.49 1.79 -1.78 -2.30 116.57 116.80 2ww3 h LYS 110 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2ww3 h LYS 110 Cb 1.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 2ww3 h LYS 110 CO -0.30 0.07 -0.61 0.07 -1.08 0.00 0.00 179.45 177.60 2ww3 h ARG 111 N 0.00 0.00 -7.28 3.15 0.11 -1.52 -3.48 114.38 105.36 2ww3 h ARG 111 Ca -0.00 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.58 2ww3 h ARG 111 Cb 0.14 0.00 0.17 0.00 1.11 0.00 0.00 29.97 31.39 2ww3 h ARG 111 CO 0.01 0.00 0.23 0.00 0.10 0.00 0.00 179.97 180.30 2ww3 s ALA 112 N -3.19 1.41 -0.03 0.08 0.00 -0.87 -4.95 121.76 114.21 2ww3 s ALA 112 Ca 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2ww3 s ALA 112 Cb 0.12 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2ww3 s ALA 112 CO 0.72 -2.55 0.06 0.45 0.00 0.00 0.00 175.76 174.44 2ww3 s SER 113 N -3.06 -0.03 0.69 0.00 0.15 -0.28 -4.95 113.70 106.22 2ww3 s SER 113 Ca 0.65 0.11 -0.17 0.00 0.70 0.00 0.00 55.95 57.24 2ww3 s SER 113 Cb -0.20 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2ww3 s SER 113 CO 0.58 -0.07 0.85 0.79 1.20 0.00 0.00 173.24 176.59 2ww3 n TRP 114 N 3.53 0.31 -3.98 3.44 7.02 -1.26 -1.06 117.44 125.45 2ww3 n TRP 114 Ca -0.19 0.40 -0.10 0.00 -1.02 0.00 0.00 57.50 56.59 2ww3 n TRP 114 Cb 0.56 -2.05 -0.04 0.00 -2.42 0.00 0.00 31.31 27.36 2ww3 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww3 s PHE 115 N -1.76 0.37 0.08 -5.99 -0.71 -0.77 -1.76 117.98 107.44 2ww3 s PHE 115 Ca 0.72 -0.76 0.02 0.00 -1.04 0.00 0.00 56.93 55.87 2ww3 s PHE 115 Cb -0.37 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2ww3 s PHE 115 CO 0.51 -1.09 -0.07 0.00 -1.34 0.00 0.00 175.22 173.23 2ww3 s ALA 116 N -3.72 0.81 0.50 1.99 0.00 -1.26 -4.81 121.76 115.28 2ww3 s ALA 116 Ca 0.22 -1.16 0.16 0.00 0.00 0.00 0.00 51.96 51.18 2ww3 s ALA 116 Cb -0.02 0.13 1.23 0.00 0.00 0.00 0.00 23.12 24.47 2ww3 s ALA 116 CO 0.11 -0.18 2.11 0.45 0.00 0.00 0.00 175.76 178.25 2ww3 h HIS 117 N 3.46 0.08 0.00 0.00 3.86 -1.95 0.51 115.15 121.11 2ww3 h HIS 117 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2ww3 h HIS 117 Cb 1.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2ww3 h HIS 117 CO 0.60 0.05 0.00 1.63 0.86 0.00 0.00 177.93 181.07 2ww3 n LYS 118 N -4.51 0.22 -0.44 2.45 5.02 -1.26 -1.20 118.16 118.45 2ww3 n LYS 118 Ca 0.00 0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 2ww3 n LYS 118 Cb 0.17 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.99 2ww3 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 119 N 0.86 2.74 3.20 0.72 0.00 0.16 -4.99 105.19 107.89 2ww3 n GLY 119 Ca 0.10 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 2ww3 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww3 s GLU 120 N -1.44 1.28 -0.12 1.61 2.12 -0.34 -1.79 118.70 120.03 2ww3 s GLU 120 Ca 0.45 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2ww3 s GLU 120 Cb 0.26 -1.33 0.03 0.00 0.26 0.00 0.00 34.13 33.36 2ww3 s GLU 120 CO 0.25 0.34 -0.05 0.08 -0.54 0.00 0.00 175.26 175.35 2ww3 s VAL 121 N -0.70 0.86 -0.19 3.70 1.01 0.18 -4.95 120.40 120.31 2ww3 s VAL 121 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2ww3 s VAL 121 Cb -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2ww3 s VAL 121 CO 0.01 0.25 -0.17 0.00 0.00 0.00 0.00 175.10 175.19 2ww3 s ALA 122 N 1.76 2.41 0.17 5.51 0.00 -1.26 -1.11 121.76 129.24 2ww3 s ALA 122 Ca 0.04 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.82 2ww3 s ALA 122 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2ww3 s ALA 122 CO -0.07 -0.37 -0.07 0.95 0.00 0.00 0.00 175.76 176.20 2ww3 s THR 123 N 1.32 1.08 0.46 0.00 -4.23 -0.09 -4.55 115.64 109.62 2ww3 s THR 123 Ca 0.05 -2.04 0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2ww3 s THR 123 Cb -0.13 -1.98 0.31 0.00 1.34 0.00 0.00 72.50 72.04 2ww3 s THR 123 CO -0.11 -0.63 2.04 -0.65 -0.54 0.00 0.00 174.62 174.73 2ww3 h PRO 124 N 2.71 0.29 -0.01 3.99 0.11 -1.87 -2.97 132.00 134.24 2ww3 h PRO 124 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2ww3 h PRO 124 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ww3 h PRO 124 CO 0.64 0.19 -0.62 2.48 -0.21 0.00 0.00 178.00 180.48 2ww3 n TYR 125 N -4.47 0.00 -3.63 0.65 4.11 -1.26 -1.25 117.16 111.30 2ww3 n TYR 125 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.84 2ww3 n TYR 125 Cb 0.26 -0.02 -0.07 0.00 -0.00 0.00 0.00 39.34 39.51 2ww3 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww3 s TYR 126 N -2.66 -0.76 -0.02 -3.48 5.04 -1.12 -4.19 117.35 110.15 2ww3 s TYR 126 Ca 0.15 1.78 0.01 0.00 -2.44 0.00 0.00 57.07 56.57 2ww3 s TYR 126 Cb 0.18 0.35 0.02 0.00 0.35 0.00 0.00 41.96 42.85 2ww3 s TYR 126 CO 0.66 -0.37 -0.02 -0.47 -1.34 0.00 0.00 175.55 174.01 2ww3 s TYR 127 N 0.59 0.41 -0.01 4.97 5.04 -0.73 -0.92 117.35 126.71 2ww3 s TYR 127 Ca -0.01 -0.06 0.03 0.00 -2.44 0.00 0.00 57.07 54.59 2ww3 s TYR 127 Cb -0.05 -0.39 -0.01 0.00 0.35 0.00 0.00 41.96 41.86 2ww3 s TYR 127 CO -0.04 -0.10 -0.10 0.21 -1.34 0.00 0.00 175.55 174.18 2ww3 s LYS 128 N 0.62 0.78 -0.06 4.97 2.20 -0.27 -0.93 119.74 127.04 2ww3 s LYS 128 Ca -0.07 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.09 2ww3 s LYS 128 Cb -0.10 -0.75 0.02 0.00 -1.51 0.00 0.00 37.83 35.49 2ww3 s LYS 128 CO -0.01 0.20 0.24 0.54 -0.36 0.00 0.00 175.35 175.96 2ww3 s VAL 129 N -0.26 0.03 -0.39 4.02 0.11 -0.47 -0.65 120.40 122.78 2ww3 s VAL 129 Ca 0.03 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.67 2ww3 s VAL 129 Cb -0.04 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2ww3 s VAL 129 CO -0.00 -0.12 0.59 -0.47 -3.33 0.00 0.00 175.10 171.77 2ww3 s TYR 130 N -0.41 3.13 -0.74 1.54 5.04 -0.74 -1.09 117.35 124.07 2ww3 s TYR 130 Ca -0.05 0.09 -0.26 0.00 -2.44 0.00 0.00 57.07 54.42 2ww3 s TYR 130 Cb -0.03 -3.14 0.04 0.00 0.35 0.00 0.00 41.96 39.18 2ww3 s TYR 130 CO 0.01 -0.70 1.22 -0.51 -1.34 0.00 0.00 175.55 174.23 2ww3 s LEU 131 N 2.62 3.49 0.31 6.97 1.43 0.65 -4.60 118.68 129.57 2ww3 s LEU 131 Ca 0.21 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2ww3 s LEU 131 Cb -0.15 -2.53 0.51 0.00 0.03 0.00 0.00 46.19 44.06 2ww3 s LEU 131 CO 0.16 -1.71 1.71 0.00 0.23 0.00 0.00 176.35 176.73 2ww3 h ALA 132 N 9.89 1.15 0.00 4.21 0.00 -1.63 0.57 119.26 133.46 2ww3 h ALA 132 Ca -0.24 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2ww3 h ALA 132 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ww3 h ALA 132 CO 1.27 0.63 -0.07 0.39 0.00 0.00 0.00 179.25 181.47 2ww3 n GLU 133 N -3.94 0.26 -0.00 0.00 1.02 -1.26 -3.60 120.64 113.11 2ww3 n GLU 133 Ca -0.02 0.19 0.06 0.00 -0.02 0.00 0.00 57.16 57.38 2ww3 n GLU 133 Cb 0.52 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 2ww3 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww3 n HIS 134 N -2.22 0.00 -3.71 -0.32 8.25 -0.87 -4.95 115.22 111.39 2ww3 n HIS 134 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.28 2ww3 n HIS 134 Cb 0.43 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.57 2ww3 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww3 n ASP 135 N -1.33 -2.60 -4.28 0.41 2.03 0.14 -4.72 116.55 106.20 2ww3 n ASP 135 Ca 0.02 -0.76 -0.32 0.00 0.52 0.00 0.00 54.79 54.25 2ww3 n ASP 135 Cb 0.21 -4.22 -0.16 0.00 -0.72 0.00 0.00 41.12 36.23 2ww3 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww3 s ILE 136 N -3.51 2.19 -0.05 5.18 1.01 -0.99 -3.71 121.20 121.32 2ww3 s ILE 136 Ca 0.22 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 2ww3 s ILE 136 Cb -0.10 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2ww3 s ILE 136 CO 0.80 0.57 0.43 -0.69 0.00 0.00 0.00 174.94 176.05 2ww3 s VAL 137 N -0.12 5.10 -0.06 2.92 1.01 -0.73 -0.25 120.40 128.27 2ww3 s VAL 137 Ca -0.05 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.86 2ww3 s VAL 137 Cb -0.14 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2ww3 s VAL 137 CO 0.04 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.50 2ww3 s THR 138 N -0.31 2.40 0.05 3.92 2.01 -0.25 -0.90 115.64 122.56 2ww3 s THR 138 Ca 0.24 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.33 2ww3 s THR 138 Cb -0.16 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 2ww3 s THR 138 CO 0.12 0.57 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.89 2ww3 s GLU 139 N -0.31 0.75 -0.10 4.92 2.02 -0.33 -1.37 118.70 124.27 2ww3 s GLU 139 Ca 0.01 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2ww3 s GLU 139 Cb -0.13 -0.70 0.03 0.00 0.10 0.00 0.00 34.13 33.44 2ww3 s GLU 139 CO 0.02 0.16 0.27 0.00 0.02 0.00 0.00 175.26 175.73 2ww3 s MET 140 N -1.37 0.29 -0.18 1.61 0.23 -0.10 -1.23 119.30 118.55 2ww3 s MET 140 Ca -0.03 0.43 -0.02 0.00 -1.03 0.00 0.00 55.69 55.04 2ww3 s MET 140 Cb -0.09 0.08 0.05 0.00 -1.53 0.00 0.00 34.83 33.35 2ww3 s MET 140 CO 0.01 -0.07 0.01 0.95 -2.03 0.00 0.00 175.02 173.89 2ww3 s THR 141 N 0.47 0.64 0.43 3.16 -4.23 -0.79 -1.78 115.64 113.54 2ww3 s THR 141 Ca -0.03 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.92 2ww3 s THR 141 Cb -0.04 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 2ww3 s THR 141 CO -0.02 -0.09 0.72 -2.16 -0.54 0.00 0.00 174.62 172.53 2ww3 s PRO 142 N 1.81 3.57 0.00 3.99 0.04 -1.26 -2.23 135.00 140.92 2ww3 s PRO 142 Ca -0.00 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2ww3 s PRO 142 Cb -0.16 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2ww3 s PRO 142 CO -0.07 -0.09 0.00 0.25 0.04 0.00 0.00 177.00 177.13 2ww3 n THR 143 N -1.95 0.00 0.03 1.26 -2.24 0.25 -4.72 114.28 106.91 2ww3 n THR 143 Ca -0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2ww3 n THR 143 Cb 0.55 -0.75 0.28 0.00 -2.10 0.00 0.00 70.33 68.31 2ww3 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww3 h GLU 144 N 0.00 0.45 0.00 -0.78 5.08 -1.93 -3.36 114.58 114.04 2ww3 h GLU 144 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ww3 h GLU 144 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2ww3 h GLU 144 CO 0.00 0.57 0.00 0.54 -1.00 0.00 0.00 179.01 179.12 2ww3 n ARG 145 N -4.22 2.44 -3.71 2.33 1.74 -1.26 -1.19 116.66 112.78 2ww3 n ARG 145 Ca 0.00 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.88 2ww3 n ARG 145 Cb 0.30 -0.25 -0.05 0.00 -1.02 0.00 0.00 32.46 31.44 2ww3 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww3 n ALA 146 N -0.35 0.38 -3.56 7.54 0.00 -1.26 -3.40 120.51 119.85 2ww3 n ALA 146 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 53.44 51.85 2ww3 n ALA 146 Cb 0.02 0.95 -0.05 0.00 0.00 0.00 0.00 19.45 20.37 2ww3 n ALA 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ww3 s VAL 147 N -2.54 0.00 -0.13 0.00 0.11 0.33 0.85 120.40 119.01 2ww3 s VAL 147 Ca 0.12 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2ww3 s VAL 147 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2ww3 s VAL 147 CO 0.08 0.00 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.50 2ww3 s LEU 148 N -1.17 2.69 -0.10 2.54 2.96 -0.95 -0.79 118.68 123.87 2ww3 s LEU 148 Ca -0.03 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2ww3 s LEU 148 Cb -0.00 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2ww3 s LEU 148 CO 0.03 0.15 0.01 -0.36 -1.32 0.00 0.00 176.35 174.86 2ww3 s PHE 149 N 0.42 3.19 -0.19 5.38 0.40 0.36 -1.89 117.98 125.67 2ww3 s PHE 149 Ca -0.10 0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2ww3 s PHE 149 Cb -0.16 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.58 2ww3 s PHE 149 CO 0.05 0.45 -0.13 0.50 0.70 0.00 0.00 175.22 176.79 2ww3 s ARG 150 N -0.77 2.25 -0.22 0.44 3.52 -0.37 -0.46 118.95 123.35 2ww3 s ARG 150 Ca 0.12 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 2ww3 s ARG 150 Cb -0.12 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 2ww3 s ARG 150 CO 0.02 -0.36 0.14 -0.06 -0.81 0.00 0.00 175.30 174.23 2ww3 s PHE 151 N 1.38 3.33 -0.51 5.12 0.40 0.08 -1.19 117.98 126.59 2ww3 s PHE 151 Ca 0.01 0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.46 2ww3 s PHE 151 Cb -0.15 -2.22 0.13 0.00 0.51 0.00 0.00 43.02 41.29 2ww3 s PHE 151 CO -0.09 0.13 0.40 0.99 0.70 0.00 0.00 175.22 177.34 2ww3 s THR 152 N 0.80 4.38 0.51 0.64 2.01 -0.07 -0.38 115.64 123.53 2ww3 s THR 152 Ca 0.07 -1.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.09 2ww3 s THR 152 Cb -0.13 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2ww3 s THR 152 CO 0.02 -0.81 0.88 -0.36 -0.69 0.00 0.00 174.62 173.66 2ww3 s PHE 153 N 1.20 3.55 0.77 4.92 0.08 -0.87 -1.77 117.98 125.87 2ww3 s PHE 153 Ca 0.07 1.08 -0.06 0.00 0.12 0.00 0.00 56.93 58.13 2ww3 s PHE 153 Cb -0.25 -2.51 0.12 0.00 -0.57 0.00 0.00 43.02 39.81 2ww3 s PHE 153 CO -0.01 -0.38 1.07 -1.25 -0.10 0.00 0.00 175.22 174.55 2ww3 s PRO 154 N -4.63 1.60 0.02 0.24 0.04 -1.24 -1.13 135.00 129.90 2ww3 s PRO 154 Ca 0.52 -0.67 -0.30 0.00 0.04 0.00 0.00 61.00 60.59 2ww3 s PRO 154 Cb -0.10 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 2ww3 s PRO 154 CO 0.44 -1.60 1.81 -2.00 0.04 0.00 0.00 177.00 175.69 2ww3 s GLU 155 N -5.34 4.16 -0.20 4.56 2.12 -1.25 -4.39 118.70 118.35 2ww3 s GLU 155 Ca 0.66 2.43 -0.28 0.00 0.36 0.00 0.00 54.97 58.14 2ww3 s GLU 155 Cb -0.07 -3.98 0.12 0.00 0.26 0.00 0.00 34.13 30.46 2ww3 s GLU 155 CO 0.46 -0.88 0.97 1.21 -0.54 0.00 0.00 175.26 176.48 2ww3 s ASN 156 N 3.65 -0.45 0.09 -1.70 3.84 0.29 -4.89 114.94 115.77 2ww3 s ASN 156 Ca 0.81 0.66 0.25 0.00 0.21 0.00 0.00 52.86 54.78 2ww3 s ASN 156 Cb -0.39 0.60 0.42 0.00 -0.55 0.00 0.00 41.25 41.32 2ww3 s ASN 156 CO 0.36 -0.29 1.37 0.47 -2.79 0.00 0.00 177.10 176.21 2ww3 n ASP 157 N 1.39 0.62 -3.72 -4.21 8.00 -1.26 0.18 116.55 117.55 2ww3 n ASP 157 Ca -0.12 0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.15 2ww3 n ASP 157 Cb 0.57 0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.71 2ww3 n ASP 157 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ww3 n HIS 158 N -1.94 2.16 -4.61 1.24 8.25 -1.26 -4.21 115.22 114.85 2ww3 n HIS 158 Ca 0.04 -4.04 -0.34 0.00 -0.26 0.00 0.00 57.72 53.13 2ww3 n HIS 158 Cb 0.41 -0.39 -0.12 0.00 1.12 0.00 0.00 29.99 31.01 2ww3 n HIS 158 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2ww3 s SER 159 N -1.16 4.62 0.20 0.41 0.01 -0.86 -2.05 113.70 114.87 2ww3 s SER 159 Ca 0.28 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.51 2ww3 s SER 159 Cb -0.00 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 2ww3 s SER 159 CO -0.17 0.32 -0.00 -0.31 0.41 0.00 0.00 173.24 173.50 2ww3 s TYR 160 N -0.57 1.37 -0.08 2.43 1.51 -0.38 -1.09 117.35 120.53 2ww3 s TYR 160 Ca 0.09 -0.97 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2ww3 s TYR 160 Cb -0.12 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 2ww3 s TYR 160 CO 0.02 -0.13 -0.07 0.08 -1.11 0.00 0.00 175.55 174.34 2ww3 s VAL 161 N -3.55 0.89 -0.12 0.71 1.01 0.18 -1.71 120.40 117.82 2ww3 s VAL 161 Ca 0.26 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 2ww3 s VAL 161 Cb 0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2ww3 s VAL 161 CO 0.06 0.33 0.29 -0.69 0.00 0.00 0.00 175.10 175.08 2ww3 s VAL 162 N 1.32 5.29 -0.18 2.92 1.01 0.62 -1.64 120.40 129.74 2ww3 s VAL 162 Ca -0.03 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 2ww3 s VAL 162 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2ww3 s VAL 162 CO -0.03 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 2ww3 s VAL 163 N -0.14 2.51 -0.29 2.92 1.01 0.86 -1.03 120.40 126.23 2ww3 s VAL 163 Ca 0.18 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2ww3 s VAL 163 Cb -0.14 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.21 2ww3 s VAL 163 CO 0.06 0.51 -0.01 -0.62 0.00 0.00 0.00 175.10 175.03 2ww3 s ASP 164 N 1.20 4.82 0.00 3.32 -1.08 0.51 -0.99 116.67 124.45 2ww3 s ASP 164 Ca 0.02 -1.27 0.17 0.00 -0.52 0.00 0.00 52.55 50.96 2ww3 s ASP 164 Cb -0.14 -1.69 0.77 0.00 -1.46 0.00 0.00 42.92 40.40 2ww3 s ASP 164 CO -0.07 -0.25 1.53 0.00 0.52 0.00 0.00 175.17 176.91 2ww3 n ALA 165 N 4.60 2.54 -0.52 3.66 0.00 -0.91 -1.15 120.51 128.74 2ww3 n ALA 165 Ca -0.13 -0.34 0.01 0.00 0.00 0.00 0.00 53.44 52.98 2ww3 n ALA 165 Cb 0.43 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 2ww3 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww3 n PHE 166 N -0.13 -1.67 -3.33 0.00 3.01 -1.26 -4.53 117.46 109.55 2ww3 n PHE 166 Ca 0.14 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.72 2ww3 n PHE 166 Cb 0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2ww3 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww3 n ASP 167 N -1.20 1.48 -0.97 4.37 5.75 -1.26 -3.46 116.55 121.26 2ww3 n ASP 167 Ca 0.00 -0.59 -0.12 0.00 -0.01 0.00 0.00 54.79 54.07 2ww3 n ASP 167 Cb 0.04 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.08 2ww3 n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ww3 n LYS 168 N -0.15 -0.87 0.00 0.11 4.76 -0.91 -3.35 118.16 117.75 2ww3 n LYS 168 Ca 0.00 0.92 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 2ww3 n LYS 168 Cb 0.00 -4.96 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 2ww3 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww3 n GLY 169 N -1.43 1.59 3.37 0.72 0.00 0.11 -4.64 105.19 104.91 2ww3 n GLY 169 Ca -0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2ww3 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ww3 s SER 170 N 0.00 0.03 -0.01 1.61 1.04 0.66 -3.12 113.70 113.91 2ww3 s SER 170 Ca 0.00 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 2ww3 s SER 170 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2ww3 s SER 170 CO 0.00 -0.93 0.07 -0.47 0.98 0.00 0.00 173.24 172.89 2ww3 s TYR 171 N -4.00 0.02 -0.20 5.02 5.04 -0.26 -2.21 117.35 120.76 2ww3 s TYR 171 Ca 0.21 -0.03 -0.18 0.00 -2.44 0.00 0.00 57.07 54.63 2ww3 s TYR 171 Cb 0.03 -0.04 0.05 0.00 0.35 0.00 0.00 41.96 42.35 2ww3 s TYR 171 CO 0.03 -0.14 0.52 -1.50 -1.34 0.00 0.00 175.55 173.13 2ww3 s ILE 172 N -0.65 -0.00 -0.09 3.14 1.10 -1.05 -0.49 121.20 123.15 2ww3 s ILE 172 Ca -0.07 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.04 2ww3 s ILE 172 Cb -0.04 -0.73 0.05 0.00 0.15 0.00 0.00 42.46 41.89 2ww3 s ILE 172 CO 0.00 0.00 0.15 -0.75 -2.11 0.00 0.00 174.94 172.23 2ww3 s LYS 173 N 0.37 0.03 -0.11 3.50 2.20 0.51 -1.91 119.74 124.34 2ww3 s LYS 173 Ca -0.01 0.47 -0.25 0.00 -0.36 0.00 0.00 55.97 55.82 2ww3 s LYS 173 Cb -0.04 -0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 35.77 2ww3 s LYS 173 CO -0.01 -0.36 0.79 0.42 -0.36 0.00 0.00 175.35 175.83 2ww3 s ILE 174 N 2.27 4.95 -0.70 5.43 1.01 0.42 -1.40 121.20 133.18 2ww3 s ILE 174 Ca 0.04 1.60 0.05 0.00 0.00 0.00 0.00 60.65 62.33 2ww3 s ILE 174 Cb -0.13 -4.12 0.17 0.00 0.01 0.00 0.00 42.46 38.40 2ww3 s ILE 174 CO -0.06 0.14 0.49 -0.63 0.00 0.00 0.00 174.94 174.87 2ww3 s ILE 175 N 1.46 2.85 0.37 2.92 1.01 0.17 -4.82 121.20 125.17 2ww3 s ILE 175 Ca 0.39 -4.23 0.15 0.00 0.00 0.00 0.00 60.65 56.96 2ww3 s ILE 175 Cb -0.18 -2.88 0.36 0.00 0.01 0.00 0.00 42.46 39.78 2ww3 s ILE 175 CO 0.17 -1.00 1.76 -0.65 0.00 0.00 0.00 174.94 175.21 2ww3 h PRO 176 N 5.43 0.45 0.00 2.79 0.11 -1.96 -1.23 132.00 137.59 2ww3 h PRO 176 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2ww3 h PRO 176 Cb 0.76 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2ww3 h PRO 176 CO 0.71 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 2ww3 n GLU 177 N -4.71 0.18 -0.11 1.05 0.00 -1.26 -2.11 120.64 113.68 2ww3 n GLU 177 Ca 0.26 0.14 0.06 0.00 0.00 0.00 0.00 57.16 57.61 2ww3 n GLU 177 Cb 0.83 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.85 2ww3 n GLU 177 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2ww3 n GLU 178 N -1.35 1.44 -4.30 3.44 1.02 -0.48 -4.97 120.64 115.42 2ww3 n GLU 178 Ca 0.07 -1.97 -0.38 0.00 -0.02 0.00 0.00 57.16 54.87 2ww3 n GLU 178 Cb 0.17 -1.18 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2ww3 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww3 n ASN 179 N -0.92 -2.81 -4.27 1.62 3.02 -0.90 -4.69 115.26 106.32 2ww3 n ASN 179 Ca 0.09 -1.08 -0.23 0.00 -0.03 0.00 0.00 54.58 53.34 2ww3 n ASN 179 Cb 0.54 -2.45 -0.12 0.00 -0.61 0.00 0.00 39.78 37.14 2ww3 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww3 s LYS 180 N -7.01 1.07 -0.04 3.52 2.20 -1.09 -0.59 119.74 117.79 2ww3 s LYS 180 Ca 0.74 -1.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2ww3 s LYS 180 Cb -0.41 -1.27 0.02 0.00 -1.51 0.00 0.00 37.83 34.66 2ww3 s LYS 180 CO 0.95 0.29 -0.06 0.42 -0.36 0.00 0.00 175.35 176.60 2ww3 s ILE 181 N -1.26 0.62 0.31 5.43 1.01 0.48 -0.65 121.20 127.14 2ww3 s ILE 181 Ca 0.05 -0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.63 2ww3 s ILE 181 Cb -0.10 -0.62 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 2ww3 s ILE 181 CO 0.04 0.24 -0.13 0.27 0.00 0.00 0.00 174.94 175.36 2ww3 s ILE 182 N 0.81 2.48 -0.04 2.92 -4.36 -0.50 -0.28 121.20 122.24 2ww3 s ILE 182 Ca -0.12 -2.26 -0.23 0.00 -0.26 0.00 0.00 60.65 57.78 2ww3 s ILE 182 Cb -0.14 -2.51 0.07 0.00 1.25 0.00 0.00 42.46 41.13 2ww3 s ILE 182 CO 0.01 -0.31 1.03 0.61 0.24 0.00 0.00 174.94 176.52 2ww3 n GLY 183 N -0.73 0.25 3.13 6.27 0.00 -0.75 -0.36 105.19 112.99 2ww3 n GLY 183 Ca -0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 2ww3 n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww3 s TYR 184 N -2.17 0.35 0.06 1.61 -0.85 0.35 -0.78 117.35 115.92 2ww3 s TYR 184 Ca 0.24 -0.82 0.06 0.00 -0.52 0.00 0.00 57.07 56.03 2ww3 s TYR 184 Cb -0.00 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 2ww3 s TYR 184 CO -0.01 -0.42 -0.17 -0.08 -1.52 0.00 0.00 175.55 173.34 2ww3 s THR 185 N -3.63 1.39 0.00 -3.49 -1.32 -0.68 -1.10 115.64 106.80 2ww3 s THR 185 Ca 0.04 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 2ww3 s THR 185 Cb 0.05 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 2ww3 s THR 185 CO -0.09 0.01 0.00 0.35 -2.21 0.00 0.00 174.62 172.68 2ww3 n THR 186 N 1.61 0.00 -1.71 5.08 -2.24 -1.18 -0.70 114.28 115.14 2ww3 n THR 186 Ca -0.19 -0.01 -0.64 0.00 -2.27 0.00 0.00 64.05 60.95 2ww3 n THR 186 Cb 0.54 0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 69.06 2ww3 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww3 n ARG 187 N -1.07 0.36 -2.53 -0.78 0.63 -1.21 -4.73 116.66 107.32 2ww3 n ARG 187 Ca 0.00 0.13 -0.05 0.00 -0.92 0.00 0.00 57.85 57.01 2ww3 n ARG 187 Cb 0.00 -1.69 -0.02 0.00 0.45 0.00 0.00 32.46 31.21 2ww3 n ARG 187 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ww3 n ASN 188 N 4.09 -0.22 -0.12 6.15 6.94 -1.26 -3.65 115.26 127.19 2ww3 n ASN 188 Ca 0.28 -1.57 0.05 0.00 -0.02 0.00 0.00 54.58 53.33 2ww3 n ASN 188 Cb 0.01 0.48 0.07 0.00 -2.36 0.00 0.00 39.78 37.99 2ww3 n ASN 188 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2ww3 n SER 189 N -2.55 1.71 0.00 0.53 7.64 -1.07 -4.94 113.62 114.95 2ww3 n SER 189 Ca 0.02 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.39 2ww3 n SER 189 Cb 0.16 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2ww3 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww3 n GLY 190 N -0.88 1.16 2.16 0.23 0.00 -1.26 -5.02 105.19 101.58 2ww3 n GLY 190 Ca 0.08 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 2ww3 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 191 N 0.87 0.35 3.20 -0.02 0.00 -1.26 -4.45 105.19 103.88 2ww3 n GLY 191 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2ww3 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww3 s VAL 192 N -2.33 1.40 1.10 1.61 -7.23 -1.26 0.11 120.40 113.80 2ww3 s VAL 192 Ca 0.00 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 2ww3 s VAL 192 Cb 0.00 -1.25 0.24 0.00 0.56 0.00 0.00 36.38 35.93 2ww3 s VAL 192 CO 0.00 0.06 1.12 -2.84 -0.31 0.00 0.00 175.10 173.13 2ww3 s PRO 193 N -1.28 -0.43 0.24 4.82 0.02 -1.24 -4.92 135.00 132.21 2ww3 s PRO 193 Ca 0.04 0.11 -0.04 0.00 0.02 0.00 0.00 61.00 61.13 2ww3 s PRO 193 Cb -0.09 -1.67 0.42 0.00 0.02 0.00 0.00 34.50 33.18 2ww3 s PRO 193 CO 0.02 -3.22 1.77 0.93 -0.33 0.00 0.00 177.00 176.17 2ww3 h GLU 194 N -2.23 0.61 -0.01 5.54 5.08 -1.96 -2.74 114.58 118.87 2ww3 h GLU 194 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2ww3 h GLU 194 Cb 1.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ww3 h GLU 194 CO 0.44 0.40 -0.11 0.27 -1.00 0.00 0.00 179.01 179.02 2ww3 n ASN 195 N -4.86 1.00 -4.49 1.42 6.94 -1.26 -5.00 115.26 109.02 2ww3 n ASN 195 Ca 0.14 -1.06 -0.56 0.00 -0.02 0.00 0.00 54.58 53.07 2ww3 n ASN 195 Cb 0.33 0.03 -0.07 0.00 -2.36 0.00 0.00 39.78 37.72 2ww3 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww3 n PHE 196 N -0.43 0.49 -3.81 -2.53 7.35 -1.04 -4.99 117.46 112.50 2ww3 n PHE 196 Ca 0.16 1.00 -0.12 0.00 -0.76 0.00 0.00 57.45 57.74 2ww3 n PHE 196 Cb 0.32 -2.08 -0.09 0.00 0.35 0.00 0.00 39.48 37.97 2ww3 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww3 s LYS 197 N -0.19 0.65 -0.25 -4.13 1.02 -1.26 -4.81 119.74 110.77 2ww3 s LYS 197 Ca 0.85 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 56.37 2ww3 s LYS 197 Cb -1.17 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 36.43 2ww3 s LYS 197 CO 0.56 -0.18 -0.02 1.21 -0.92 0.00 0.00 175.35 176.00 2ww3 s ASN 198 N -1.68 4.51 -0.26 2.83 3.84 0.13 -4.55 114.94 119.76 2ww3 s ASN 198 Ca -0.10 -0.64 -0.18 0.00 0.21 0.00 0.00 52.86 52.15 2ww3 s ASN 198 Cb -0.04 -1.75 -0.03 0.00 -0.55 0.00 0.00 41.25 38.89 2ww3 s ASN 198 CO 0.00 -0.10 0.51 -0.31 -2.79 0.00 0.00 177.10 174.42 2ww3 s TYR 199 N 1.43 3.26 0.14 0.43 1.51 0.22 -1.69 117.35 122.66 2ww3 s TYR 199 Ca 0.03 0.63 0.11 0.00 -1.01 0.00 0.00 57.07 56.83 2ww3 s TYR 199 Cb -0.16 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 2ww3 s TYR 199 CO -0.02 -0.29 -0.26 -0.59 -1.11 0.00 0.00 175.55 173.28 2ww3 s PHE 200 N 2.31 2.30 -0.02 2.71 -0.12 0.04 0.13 117.98 125.33 2ww3 s PHE 200 Ca 0.21 -0.38 0.03 0.00 -0.05 0.00 0.00 56.93 56.75 2ww3 s PHE 200 Cb -0.16 -1.22 -0.00 0.00 -0.63 0.00 0.00 43.02 41.01 2ww3 s PHE 200 CO 0.09 0.37 -0.11 0.42 -0.05 0.00 0.00 175.22 175.95 2ww3 s ILE 201 N -1.19 0.88 -0.10 -4.49 1.01 -0.27 -1.81 121.20 115.23 2ww3 s ILE 201 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 2ww3 s ILE 201 Cb -0.10 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.64 2ww3 s ILE 201 CO 0.07 0.26 -0.06 -0.63 0.00 0.00 0.00 174.94 174.58 2ww3 s ILE 202 N -0.06 0.87 -0.18 2.92 1.01 0.61 -2.19 121.20 124.19 2ww3 s ILE 202 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 2ww3 s ILE 202 Cb -0.06 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2ww3 s ILE 202 CO 0.00 0.34 -0.07 -1.61 0.00 0.00 0.00 174.94 173.60 2ww3 s GLU 203 N 1.77 3.43 0.29 2.79 2.02 -0.18 -0.39 118.70 128.43 2ww3 s GLU 203 Ca 0.05 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 2ww3 s GLU 203 Cb -0.12 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2ww3 s GLU 203 CO -0.08 0.01 0.50 -0.06 0.02 0.00 0.00 175.26 175.66 2ww3 s PHE 204 N 0.92 3.49 -0.29 1.61 0.40 0.24 -1.08 117.98 123.27 2ww3 s PHE 204 Ca -0.01 0.39 0.11 0.00 -0.60 0.00 0.00 56.93 56.81 2ww3 s PHE 204 Cb -0.15 -1.91 0.61 0.00 0.51 0.00 0.00 43.02 42.09 2ww3 s PHE 204 CO 0.01 0.21 1.62 -0.40 0.70 0.00 0.00 175.22 177.36 2ww3 n ASP 205 N -1.31 3.81 -3.69 1.36 5.68 -0.97 -4.79 116.55 116.64 2ww3 n ASP 205 Ca -0.04 -3.37 -0.10 0.00 -0.50 0.00 0.00 54.79 50.78 2ww3 n ASP 205 Cb 0.55 -0.67 -0.11 0.00 -1.14 0.00 0.00 41.12 39.75 2ww3 n ASP 205 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2ww3 s LYS 206 N -3.06 0.34 0.60 0.11 2.20 -1.26 -4.91 119.74 113.76 2ww3 s LYS 206 Ca 0.49 0.81 -0.20 0.00 -0.36 0.00 0.00 55.97 56.71 2ww3 s LYS 206 Cb 0.41 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 2ww3 s LYS 206 CO 0.08 -0.18 1.28 -0.35 -0.36 0.00 0.00 175.35 175.82 2ww3 n PRO 207 N 4.54 1.35 -2.98 4.03 -0.04 -1.26 -4.98 135.00 135.66 2ww3 n PRO 207 Ca -0.20 0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 63.38 2ww3 n PRO 207 Cb 0.54 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 2ww3 n PRO 207 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ww3 s PHE 208 N -1.35 3.76 -1.13 0.54 0.08 -1.26 -4.80 117.98 113.82 2ww3 s PHE 208 Ca 0.77 1.50 0.15 0.00 0.12 0.00 0.00 56.93 59.47 2ww3 s PHE 208 Cb -0.40 -2.82 -0.07 0.00 -0.57 0.00 0.00 43.02 39.16 2ww3 s PHE 208 CO 0.45 0.30 0.75 2.41 -0.10 0.00 0.00 175.22 179.03 2ww3 n THR 209 N 2.66 0.00 -3.75 0.64 -1.04 0.10 -4.92 114.28 107.97 2ww3 n THR 209 Ca -0.03 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.60 2ww3 n THR 209 Cb 0.50 1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 70.01 2ww3 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww3 s TYR 210 N -2.08 -0.37 -0.12 -1.42 6.14 -0.71 -4.93 117.35 113.85 2ww3 s TYR 210 Ca 0.10 0.89 -0.10 0.00 0.64 0.00 0.00 57.07 58.59 2ww3 s TYR 210 Cb 0.12 0.12 0.04 0.00 0.42 0.00 0.00 41.96 42.66 2ww3 s TYR 210 CO 0.48 -0.20 0.32 0.15 0.64 0.00 0.00 175.55 176.94 2ww3 s LYS 211 N 0.51 0.36 0.09 4.97 -0.14 -1.26 -1.35 119.74 122.91 2ww3 s LYS 211 Ca -0.03 0.48 -0.25 0.00 -1.36 0.00 0.00 55.97 54.82 2ww3 s LYS 211 Cb -0.04 0.14 0.07 0.00 -1.68 0.00 0.00 37.83 36.31 2ww3 s LYS 211 CO -0.03 -0.07 0.61 0.00 -0.76 0.00 0.00 175.35 175.11 2ww3 s ALA 212 N 0.38 -1.60 0.44 5.17 0.00 -0.93 -0.66 121.76 124.55 2ww3 s ALA 212 Ca -0.02 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.73 2ww3 s ALA 212 Cb -0.04 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2ww3 s ALA 212 CO -0.02 -0.62 0.14 0.95 0.00 0.00 0.00 175.76 176.21 2ww3 s THR 213 N -2.87 2.02 -0.04 0.00 -4.23 -0.90 -1.76 115.64 107.87 2ww3 s THR 213 Ca -0.03 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 2ww3 s THR 213 Cb -0.01 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2ww3 s THR 213 CO -0.05 0.00 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.26 2ww3 s VAL 214 N -2.68 0.73 -0.19 2.29 1.01 0.17 0.51 120.40 122.24 2ww3 s VAL 214 Ca 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2ww3 s VAL 214 Cb 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.80 2ww3 s VAL 214 CO 0.19 0.25 -0.02 -0.70 0.00 0.00 0.00 175.10 174.81 2ww3 s GLU 215 N 0.47 1.19 -1.24 2.72 -6.30 -0.67 -2.35 118.70 112.53 2ww3 s GLU 215 Ca -0.07 -0.60 -0.16 0.00 -2.50 0.00 0.00 54.97 51.64 2ww3 s GLU 215 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 34.13 31.84 2ww3 s GLU 215 CO 0.01 -0.55 0.65 0.09 0.02 0.00 0.00 175.26 175.48 2ww3 n ASN 216 N 4.88 -3.46 -1.96 -1.70 5.03 -1.19 -2.05 115.26 114.82 2ww3 n ASN 216 Ca -0.11 -1.06 -0.17 0.00 0.87 0.00 0.00 54.58 54.11 2ww3 n ASN 216 Cb 0.46 -3.01 -0.01 0.00 -1.02 0.00 0.00 39.78 36.21 2ww3 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 217 N -1.85 -0.32 3.19 7.41 0.00 -1.26 -5.01 105.19 107.35 2ww3 n GLY 217 Ca -0.17 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2ww3 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 218 N -2.23 2.89 -0.27 1.61 0.01 -0.87 -5.04 114.94 111.04 2ww3 s ASN 218 Ca 0.00 -0.52 -0.28 0.00 -0.71 0.00 0.00 52.86 51.35 2ww3 s ASN 218 Cb 0.00 -1.31 0.01 0.00 0.41 0.00 0.00 41.25 40.35 2ww3 s ASN 218 CO 0.00 0.14 0.99 -0.22 -1.51 0.00 0.00 177.10 176.50 2ww3 s LEU 219 N 0.39 4.04 -0.84 0.60 2.96 -1.26 -1.66 118.68 122.90 2ww3 s LEU 219 Ca -0.18 1.13 -0.07 0.00 -0.22 0.00 0.00 54.13 54.79 2ww3 s LEU 219 Cb -0.18 -3.43 0.21 0.00 0.50 0.00 0.00 46.19 43.30 2ww3 s LEU 219 CO 0.08 -0.71 0.74 -1.10 -1.32 0.00 0.00 176.35 174.04 2ww3 s GLN 220 N 3.27 3.34 -0.15 1.98 -1.52 0.18 -4.98 119.66 121.78 2ww3 s GLN 220 Ca 0.42 -2.86 -0.29 0.00 -1.95 0.00 0.00 55.36 50.68 2ww3 s GLN 220 Cb -0.14 -4.13 -0.05 0.00 -0.22 0.00 0.00 33.01 28.47 2ww3 s GLN 220 CO 0.10 -1.24 1.98 -2.00 -0.25 0.00 0.00 175.29 173.87 2ww3 s GLU 221 N -0.60 3.59 0.00 2.91 2.12 -1.26 -2.11 118.70 123.35 2ww3 s GLU 221 Ca 0.23 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.63 2ww3 s GLU 221 Cb -0.12 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.05 2ww3 s GLU 221 CO -0.08 -1.56 0.00 0.09 -0.54 0.00 0.00 175.26 173.16 2ww3 n ASN 222 N 9.63 -2.17 -4.51 -1.70 3.02 0.16 -4.94 115.26 114.74 2ww3 n ASN 222 Ca 0.24 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 2ww3 n ASN 222 Cb 0.44 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 2ww3 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww3 s VAL 223 N -2.00 4.39 -0.38 2.41 1.01 -0.96 -5.03 120.40 119.85 2ww3 s VAL 223 Ca 0.00 -0.16 0.22 0.00 0.00 0.00 0.00 61.98 62.04 2ww3 s VAL 223 Cb 0.00 -3.01 0.26 0.00 0.00 0.00 0.00 36.38 33.63 2ww3 s VAL 223 CO 0.00 0.40 1.51 0.00 0.00 0.00 0.00 175.10 177.02 2ww3 h ALA 224 N 7.49 0.90 -3.13 5.51 0.00 -1.89 -3.25 119.26 124.89 2ww3 h ALA 224 Ca -0.36 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.12 2ww3 h ALA 224 Cb 1.18 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 2ww3 h ALA 224 CO 0.62 0.08 -0.76 -1.21 0.00 0.00 0.00 179.25 177.99 2ww3 s GLU 225 N -3.20 0.80 -0.16 0.00 2.02 -1.26 -0.44 118.70 116.47 2ww3 s GLU 225 Ca 0.06 -1.01 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 2ww3 s GLU 225 Cb 0.06 -0.67 0.06 0.00 0.10 0.00 0.00 34.13 33.68 2ww3 s GLU 225 CO 0.69 0.13 0.37 -0.65 0.02 0.00 0.00 175.26 175.82 2ww3 s GLN 226 N -2.11 0.32 -0.35 1.61 -1.52 -0.80 -5.00 119.66 111.82 2ww3 s GLN 226 Ca -0.00 0.77 -0.00 0.00 -1.95 0.00 0.00 55.36 54.18 2ww3 s GLN 226 Cb -0.07 0.01 0.09 0.00 -0.22 0.00 0.00 33.01 32.81 2ww3 s GLN 226 CO 0.01 -0.19 0.08 0.99 -0.25 0.00 0.00 175.29 175.94 2ww3 s THR 227 N 1.66 2.82 0.32 -0.19 2.01 -1.26 -2.52 115.64 118.47 2ww3 s THR 227 Ca -0.07 -1.92 -0.18 0.00 0.31 0.00 0.00 61.69 59.82 2ww3 s THR 227 Cb -0.10 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.58 2ww3 s THR 227 CO -0.12 -0.45 0.73 0.28 -0.69 0.00 0.00 174.62 174.38 2ww3 s THR 228 N 1.10 0.00 0.19 -0.82 -1.32 -0.94 -5.02 115.64 108.83 2ww3 s THR 228 Ca 0.04 -1.03 -0.12 0.00 -1.21 0.00 0.00 61.69 59.37 2ww3 s THR 228 Cb -0.21 -2.36 0.10 0.00 -1.51 0.00 0.00 72.50 68.52 2ww3 s THR 228 CO -0.05 0.00 1.77 -0.78 -2.21 0.00 0.00 174.62 173.35 2ww3 h ASP 229 N 2.01 0.29 -3.45 8.08 3.58 -1.94 0.19 116.42 125.18 2ww3 h ASP 229 Ca -0.25 0.05 -0.61 0.00 0.42 0.00 0.00 57.03 56.64 2ww3 h ASP 229 Cb 1.25 0.01 -0.40 0.00 1.72 0.00 0.00 39.33 41.91 2ww3 h ASP 229 CO 0.31 0.19 -0.74 -2.28 -2.88 0.00 0.00 179.24 173.84 2ww3 s HIS 230 N -6.12 2.03 0.32 0.28 2.46 -1.26 -0.71 115.29 112.29 2ww3 s HIS 230 Ca -0.13 -2.47 -0.19 0.00 0.47 0.00 0.00 55.06 52.75 2ww3 s HIS 230 Cb 0.15 -1.90 -0.09 0.00 -0.13 0.00 0.00 32.58 30.61 2ww3 s HIS 230 CO 0.74 -0.77 0.80 0.00 -2.47 0.00 0.00 174.74 173.04 2ww3 s ALA 231 N 0.26 3.27 0.25 1.58 0.00 -1.22 -3.17 121.76 122.72 2ww3 s ALA 231 Ca 0.19 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 2ww3 s ALA 231 Cb -0.22 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.02 2ww3 s ALA 231 CO -0.01 0.27 0.70 0.20 0.00 0.00 0.00 175.76 176.91 2ww3 s GLY 232 N -2.04 -0.22 0.06 0.00 0.00 -0.99 -2.13 107.32 101.99 2ww3 s GLY 232 Ca 0.53 -0.11 -0.05 0.00 0.00 0.00 0.00 44.72 45.09 2ww3 s GLY 232 CO 0.18 -0.03 0.08 0.00 0.00 0.00 0.00 173.10 173.33 2ww3 s ALA 233 N -3.87 0.09 -0.18 3.20 0.00 -0.16 -0.65 121.76 120.18 2ww3 s ALA 233 Ca 0.09 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2ww3 s ALA 233 Cb -0.05 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.47 2ww3 s ALA 233 CO 0.02 -0.39 0.13 0.42 0.00 0.00 0.00 175.76 175.94 2ww3 s ILE 234 N -3.43 -0.16 0.17 0.00 1.01 -0.72 -0.10 121.20 117.96 2ww3 s ILE 234 Ca 0.02 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2ww3 s ILE 234 Cb 0.04 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2ww3 s ILE 234 CO -0.08 -0.26 0.04 0.27 0.00 0.00 0.00 174.94 174.90 2ww3 s ILE 235 N 2.20 3.96 0.27 2.92 -5.25 -0.65 -2.19 121.20 122.45 2ww3 s ILE 235 Ca 0.04 -1.30 -0.18 0.00 -0.99 0.00 0.00 60.65 58.22 2ww3 s ILE 235 Cb -0.16 -2.99 0.01 0.00 2.95 0.00 0.00 42.46 42.27 2ww3 s ILE 235 CO -0.10 -0.09 0.64 -0.83 -1.79 0.00 0.00 174.94 172.76 2ww3 s GLY 236 N -2.95 0.13 0.39 6.27 0.00 -0.46 0.51 107.32 111.22 2ww3 s GLY 236 Ca 0.28 -0.51 -0.14 0.00 0.00 0.00 0.00 44.72 44.35 2ww3 s GLY 236 CO 0.20 -0.28 0.77 -0.11 0.00 0.00 0.00 173.10 173.68 2ww3 s PHE 237 N -3.93 0.22 -0.02 1.90 -0.00 -0.25 0.00 117.98 115.91 2ww3 s PHE 237 Ca 0.15 -0.88 -0.11 0.00 -0.00 0.00 0.00 56.93 56.09 2ww3 s PHE 237 Cb -0.04 0.77 -0.05 0.00 -0.00 0.00 0.00 43.02 43.70 2ww3 s PHE 237 CO 0.08 -1.56 0.33 -1.59 -0.00 0.00 0.00 175.22 172.48 2ww3 s LYS 238 N -2.27 3.74 0.03 1.99 -2.85 -1.26 -2.02 119.74 117.11 2ww3 s LYS 238 Ca 0.17 0.20 0.03 0.00 -1.00 0.00 0.00 55.97 55.37 2ww3 s LYS 238 Cb -0.05 -3.16 -0.02 0.00 -2.06 0.00 0.00 37.83 32.54 2ww3 s LYS 238 CO 0.13 0.69 -0.10 0.95 0.10 0.00 0.00 175.35 177.11 2ww3 s THR 239 N -1.14 0.78 0.40 3.79 -4.23 0.13 -5.00 115.64 110.37 2ww3 s THR 239 Ca 0.23 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2ww3 s THR 239 Cb -0.15 -0.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 2ww3 s THR 239 CO 0.12 -0.11 0.59 0.00 -0.54 0.00 0.00 174.62 174.68 2ww3 s ARG 240 N -1.11 3.21 -0.08 3.99 1.70 -1.26 -0.54 118.95 124.85 2ww3 s ARG 240 Ca -0.02 -0.53 -0.39 0.00 -0.47 0.00 0.00 55.73 54.32 2ww3 s ARG 240 Cb -0.08 -2.64 -0.16 0.00 -0.57 0.00 0.00 34.95 31.50 2ww3 s ARG 240 CO 0.01 -0.07 1.50 1.17 -1.08 0.00 0.00 175.30 176.83 2ww3 n LYS 241 N -1.91 1.07 -0.96 3.89 4.81 -1.26 -1.73 118.16 122.07 2ww3 n LYS 241 Ca -0.01 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2ww3 n LYS 241 Cb 0.57 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.58 2ww3 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww3 n GLY 242 N 3.21 0.67 3.70 3.14 0.00 -0.28 -4.85 105.19 110.78 2ww3 n GLY 242 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2ww3 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww3 s GLU 243 N -0.20 4.18 -0.07 1.61 2.12 -0.71 -4.68 118.70 120.96 2ww3 s GLU 243 Ca 0.00 2.42 -0.12 0.00 0.36 0.00 0.00 54.97 57.63 2ww3 s GLU 243 Cb 0.00 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2ww3 s GLU 243 CO 0.00 -0.73 0.30 -0.65 -0.54 0.00 0.00 175.26 173.64 2ww3 s GLN 244 N 2.19 3.82 -0.10 4.30 -0.21 -1.26 -2.04 119.66 126.36 2ww3 s GLN 244 Ca 0.75 0.17 0.03 0.00 0.02 0.00 0.00 55.36 56.33 2ww3 s GLN 244 Cb -0.43 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.34 2ww3 s GLN 244 CO 0.33 0.64 -0.19 0.08 -2.12 0.00 0.00 175.29 174.02 2ww3 s VAL 245 N -0.77 1.71 0.02 1.09 1.01 0.49 -4.98 120.40 118.97 2ww3 s VAL 245 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2ww3 s VAL 245 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2ww3 s VAL 245 CO 0.08 0.48 0.02 0.20 0.00 0.00 0.00 175.10 175.88 2ww3 s ASN 246 N 0.58 5.20 -0.09 3.32 0.01 -1.26 -0.74 114.94 121.96 2ww3 s ASN 246 Ca -0.15 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2ww3 s ASN 246 Cb -0.17 -1.36 0.03 0.00 0.41 0.00 0.00 41.25 40.16 2ww3 s ASN 246 CO 0.05 0.26 -0.04 0.00 -1.51 0.00 0.00 177.10 175.85 2ww3 s ALA 247 N -1.15 1.06 -0.19 0.60 0.00 0.40 -2.28 121.76 120.19 2ww3 s ALA 247 Ca 0.22 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 2ww3 s ALA 247 Cb -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2ww3 s ALA 247 CO 0.13 -0.43 0.50 1.03 0.00 0.00 0.00 175.76 177.00 2ww3 s ARG 248 N 1.80 4.21 0.00 0.00 0.52 -0.24 -0.48 118.95 124.76 2ww3 s ARG 248 Ca 0.05 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.69 2ww3 s ARG 248 Cb -0.12 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 31.79 2ww3 s ARG 248 CO -0.07 -0.10 -0.11 0.42 0.02 0.00 0.00 175.30 175.46 2ww3 s ILE 249 N 1.49 0.84 0.14 1.52 1.01 0.03 -1.01 121.20 125.22 2ww3 s ILE 249 Ca 0.24 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 2ww3 s ILE 249 Cb -0.15 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2ww3 s ILE 249 CO 0.10 0.17 0.35 0.00 0.00 0.00 0.00 174.94 175.55 2ww3 s ALA 250 N -0.39 -0.56 0.24 9.38 0.00 -0.93 -0.51 121.76 128.99 2ww3 s ALA 250 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 2ww3 s ALA 250 Cb -0.05 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2ww3 s ALA 250 CO -0.00 -0.64 0.36 -1.54 0.00 0.00 0.00 175.76 173.93 2ww3 s SER 251 N -2.87 0.07 0.07 0.00 1.04 -1.22 -1.11 113.70 109.69 2ww3 s SER 251 Ca 0.08 -1.13 -0.18 0.00 0.48 0.00 0.00 55.95 55.20 2ww3 s SER 251 Cb 0.02 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2ww3 s SER 251 CO -0.08 -1.05 0.42 -0.55 0.98 0.00 0.00 173.24 172.96 2ww3 s SER 252 N -3.08 -0.28 0.00 7.02 0.15 0.12 -4.70 113.70 112.92 2ww3 s SER 252 Ca 0.29 -0.10 0.22 0.00 0.70 0.00 0.00 55.95 57.05 2ww3 s SER 252 Cb 0.02 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 2ww3 s SER 252 CO 0.11 -0.74 1.07 0.49 1.20 0.00 0.00 173.24 175.37 2ww3 n PHE 253 N 0.23 0.00 -0.09 3.44 3.01 -1.26 0.69 117.46 123.47 2ww3 n PHE 253 Ca -0.18 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 2ww3 n PHE 253 Cb 0.61 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.05 2ww3 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww3 n ILE 254 N 0.12 1.49 -3.79 4.37 5.41 -1.26 -4.74 119.36 120.95 2ww3 n ILE 254 Ca 0.09 0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.89 2ww3 n ILE 254 Cb 0.46 -2.33 -0.02 0.00 -0.71 0.00 0.00 39.64 37.05 2ww3 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww3 s SER 255 N -5.98 -0.30 0.28 4.38 1.04 -1.26 -4.99 113.70 106.86 2ww3 s SER 255 Ca -0.27 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 2ww3 s SER 255 Cb 0.04 0.70 0.37 0.00 0.10 0.00 0.00 66.02 67.24 2ww3 s SER 255 CO 0.40 -1.28 1.92 -0.26 0.98 0.00 0.00 173.24 175.00 2ww3 h PHE 256 N 2.00 1.08 -0.72 5.02 0.04 -1.93 -1.27 116.94 121.15 2ww3 h PHE 256 Ca -0.21 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 2ww3 h PHE 256 Cb 1.26 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 2ww3 h PHE 256 CO 0.40 0.72 0.24 0.93 -0.60 0.00 0.00 178.31 180.00 2ww3 h GLU 257 N 1.13 1.11 0.00 1.51 3.07 -1.99 -1.51 114.58 117.89 2ww3 h GLU 257 Ca 0.29 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2ww3 h GLU 257 Cb -0.04 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 2ww3 h GLU 257 CO -0.05 0.93 -0.38 0.37 -1.40 0.00 0.00 179.01 178.48 2ww3 h GLN 258 N 1.07 0.00 -0.29 2.33 5.75 -1.87 -2.00 115.11 120.10 2ww3 h GLN 258 Ca 0.24 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.67 2ww3 h GLN 258 Cb 0.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2ww3 h GLN 258 CO -0.01 0.38 -0.08 0.00 -2.65 0.00 0.00 178.83 176.47 2ww3 h ALA 259 N 1.62 0.40 -0.95 3.38 0.00 -0.98 0.01 119.26 122.74 2ww3 h ALA 259 Ca -0.00 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2ww3 h ALA 259 Cb 1.15 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2ww3 h ALA 259 CO 0.05 0.23 0.62 0.00 0.00 0.00 0.00 179.25 180.15 2ww3 h ALA 260 N 0.78 1.38 -0.35 0.00 0.00 -0.97 0.30 119.26 120.40 2ww3 h ALA 260 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2ww3 h ALA 260 Cb 0.57 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ww3 h ALA 260 CO 0.03 0.54 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 2ww3 h ALA 261 N 1.44 0.98 -0.20 0.00 0.00 -1.28 -2.89 119.26 117.32 2ww3 h ALA 261 Ca 0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2ww3 h ALA 261 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ww3 h ALA 261 CO -0.11 0.60 -0.00 -0.91 0.00 0.00 0.00 179.25 178.83 2ww3 h ASN 262 N 0.60 0.27 -0.52 0.00 2.35 0.16 -2.51 115.58 115.91 2ww3 h ASN 262 Ca 0.09 -0.03 0.15 0.00 -0.55 0.00 0.00 56.30 55.96 2ww3 h ASN 262 Cb 0.68 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2ww3 h ASN 262 CO 0.05 0.32 0.44 -0.03 -1.65 0.00 0.00 177.43 176.56 2ww3 h MET 263 N 0.29 0.00 0.00 0.81 4.05 -0.84 -2.39 114.93 116.85 2ww3 h MET 263 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2ww3 h MET 263 Cb 0.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2ww3 h MET 263 CO 0.00 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.23 2ww3 n ASN 264 N -4.07 0.43 0.30 1.39 5.03 -0.95 -1.55 115.26 115.84 2ww3 n ASN 264 Ca 0.10 0.64 0.17 0.00 0.87 0.00 0.00 54.58 56.35 2ww3 n ASN 264 Cb 0.65 -0.72 0.97 0.00 -1.02 0.00 0.00 39.78 39.67 2ww3 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww3 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.64 -0.47 114.58 121.07 2ww3 h GLU 265 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ww3 h GLU 265 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ww3 h GLU 265 CO 0.00 0.02 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.81 2ww3 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.52 -3.49 115.31 115.01 2ww3 h LEU 266 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ww3 h LEU 266 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ww3 h LEU 266 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2ww3 n GLY 267 N 1.27 3.08 2.10 0.83 0.00 -0.19 -2.34 105.19 109.94 2ww3 n GLY 267 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2ww3 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww3 n LYS 268 N 14.00 1.88 -2.82 1.61 4.76 -1.26 -4.97 118.16 131.36 2ww3 n LYS 268 Ca 0.00 -3.37 -0.33 0.00 -2.87 0.00 0.00 58.31 51.74 2ww3 n LYS 268 Cb 0.00 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 31.64 2ww3 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww3 s ASP 269 N -3.34 6.97 0.78 4.39 1.01 -0.99 -5.09 116.67 120.41 2ww3 s ASP 269 Ca 0.36 1.70 -0.06 0.00 0.71 0.00 0.00 52.55 55.26 2ww3 s ASP 269 Cb 0.36 -2.54 0.14 0.00 1.01 0.00 0.00 42.92 41.89 2ww3 s ASP 269 CO -0.05 -0.33 1.08 0.54 0.21 0.00 0.00 175.17 176.62 2ww3 s ASN 270 N -2.13 4.08 0.16 0.27 4.22 -1.26 -4.84 114.94 115.44 2ww3 s ASN 270 Ca 0.61 -0.07 -0.18 0.00 -2.14 0.00 0.00 52.86 51.08 2ww3 s ASN 270 Cb -0.10 -0.26 0.09 0.00 1.28 0.00 0.00 41.25 42.25 2ww3 s ASN 270 CO 0.14 -2.06 1.66 0.40 -2.04 0.00 0.00 177.10 175.20 2ww3 h ILE 271 N -0.84 0.56 -0.93 0.54 1.08 -1.97 -1.15 117.51 114.80 2ww3 h ILE 271 Ca -0.40 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 2ww3 h ILE 271 Cb 1.26 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.53 2ww3 h ILE 271 CO 0.42 0.00 0.61 -0.33 -0.69 0.00 0.00 178.15 178.17 2ww3 h GLU 272 N -0.04 1.18 -0.16 2.37 3.07 -1.99 0.16 114.58 119.17 2ww3 h GLU 272 Ca 0.18 -0.07 -0.22 0.00 -0.50 0.00 0.00 59.36 58.76 2ww3 h GLU 272 Cb 0.32 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2ww3 h GLU 272 CO -0.41 0.78 -0.76 1.96 -1.40 0.00 0.00 179.01 179.18 2ww3 h GLN 273 N 1.22 0.76 -0.47 2.33 4.20 -1.74 -1.00 115.11 120.40 2ww3 h GLN 273 Ca 0.35 -0.61 -0.14 0.00 0.06 0.00 0.00 58.65 58.32 2ww3 h GLN 273 Cb -0.07 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2ww3 h GLN 273 CO -0.09 1.22 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.98 2ww3 h LEU 274 N 0.52 1.02 0.05 1.46 3.38 -0.94 -1.23 115.31 119.58 2ww3 h LEU 274 Ca -0.05 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.53 2ww3 h LEU 274 Cb 1.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2ww3 h LEU 274 CO 0.15 1.20 -0.08 0.00 0.09 0.00 0.00 178.44 179.80 2ww3 h ALA 275 N 0.87 -0.13 -0.77 1.53 0.00 -0.90 -0.54 119.26 119.31 2ww3 h ALA 275 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2ww3 h ALA 275 Cb 0.82 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2ww3 h ALA 275 CO 0.07 -0.59 0.50 0.37 0.00 0.00 0.00 179.25 179.60 2ww3 h GLN 276 N -0.17 0.83 -0.23 0.00 5.75 -0.97 -0.33 115.11 119.99 2ww3 h GLN 276 Ca 0.02 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 2ww3 h GLN 276 Cb 0.18 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2ww3 h GLN 276 CO -0.05 0.55 -0.40 0.87 -2.65 0.00 0.00 178.83 177.15 2ww3 h LYS 277 N 0.85 0.53 -0.42 1.69 1.57 -0.76 -0.90 116.57 119.13 2ww3 h LYS 277 Ca 0.33 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2ww3 h LYS 277 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2ww3 h LYS 277 CO -0.11 0.84 -0.17 0.78 -0.57 0.00 0.00 179.45 180.23 2ww3 h GLY 278 N 1.07 0.93 1.01 3.86 0.00 0.04 -0.28 103.07 109.70 2ww3 h GLY 278 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2ww3 h GLY 278 CO 0.08 0.74 0.54 1.70 0.00 0.00 0.00 176.54 179.59 2ww3 h LYS 279 N 0.68 1.11 0.01 4.80 3.64 -0.97 0.19 116.57 126.03 2ww3 h LYS 279 Ca 0.10 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ww3 h LYS 279 Cb 0.72 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2ww3 h LYS 279 CO 0.05 0.75 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.54 2ww3 h ASP 280 N 1.14 -0.01 -0.75 4.20 3.32 -0.91 0.10 116.42 123.51 2ww3 h ASP 280 Ca 0.30 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 2ww3 h ASP 280 Cb -0.10 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2ww3 h ASP 280 CO -0.06 0.03 0.27 0.00 -1.72 0.00 0.00 179.24 177.75 2ww3 h ALA 281 N 0.94 0.98 -0.34 3.45 0.00 -0.61 0.93 119.26 124.60 2ww3 h ALA 281 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2ww3 h ALA 281 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2ww3 h ALA 281 CO 0.00 0.63 -0.06 -1.49 0.00 0.00 0.00 179.25 178.33 2ww3 h TRP 282 N 1.10 0.72 -0.29 0.00 4.06 -0.48 -2.99 115.95 118.07 2ww3 h TRP 282 Ca 0.25 -0.15 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 2ww3 h TRP 282 Cb 0.26 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2ww3 h TRP 282 CO 0.02 0.80 0.09 -0.91 -3.56 0.00 0.00 178.44 174.88 2ww3 h ASN 283 N 0.44 0.36 -0.70 -3.49 -0.26 -0.56 0.35 115.58 111.72 2ww3 h ASN 283 Ca 0.09 -0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.81 2ww3 h ASN 283 Cb 0.55 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.68 2ww3 h ASN 283 CO 0.03 0.36 0.46 -0.61 -1.06 0.00 0.00 177.43 176.61 2ww3 h GLN 284 N 0.41 0.90 0.18 0.81 5.75 -0.68 0.37 115.11 122.85 2ww3 h GLN 284 Ca 0.10 -0.05 -0.29 0.00 -0.15 0.00 0.00 58.65 58.25 2ww3 h GLN 284 Cb 0.12 -0.20 0.02 0.00 1.07 0.00 0.00 27.48 28.49 2ww3 h GLN 284 CO -0.01 0.60 -1.37 -0.39 -2.65 0.00 0.00 178.83 175.01 2ww3 h VAL 285 N 0.93 1.20 -0.74 2.39 -1.51 -1.35 -3.35 116.25 113.82 2ww3 h VAL 285 Ca 0.27 -2.55 -0.01 0.00 -1.23 0.00 0.00 66.70 63.18 2ww3 h VAL 285 Cb -0.07 2.94 -0.04 0.00 -2.13 0.00 0.00 31.29 31.99 2ww3 h VAL 285 CO -0.07 0.78 0.42 -0.07 -1.23 0.00 0.00 177.57 177.39 2ww3 h LEU 286 N -0.09 0.91 0.00 4.19 3.38 -0.33 -2.70 115.31 120.67 2ww3 h LEU 286 Ca -0.26 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2ww3 h LEU 286 Cb 1.94 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2ww3 h LEU 286 CO 0.17 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2ww3 n GLY 287 N -1.11 -0.65 0.02 0.83 0.00 0.12 -2.64 105.19 101.77 2ww3 n GLY 287 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2ww3 n GLY 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww3 n LYS 288 N -1.45 0.03 -3.70 1.61 4.76 -1.02 -4.28 118.16 114.12 2ww3 n LYS 288 Ca 0.02 0.32 -0.27 0.00 -2.87 0.00 0.00 58.31 55.50 2ww3 n LYS 288 Cb 0.06 -1.57 -0.17 0.00 -1.84 0.00 0.00 35.03 31.52 2ww3 n LYS 288 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ww3 s ILE 289 N -3.06 0.37 -0.20 -0.18 1.01 -1.08 -0.70 121.20 117.35 2ww3 s ILE 289 Ca 0.05 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2ww3 s ILE 289 Cb 0.08 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 2ww3 s ILE 289 CO 0.25 -0.26 0.06 -1.61 0.00 0.00 0.00 174.94 173.38 2ww3 s GLU 290 N 1.93 3.87 0.10 2.79 2.02 -0.02 -4.94 118.70 124.45 2ww3 s GLU 290 Ca 0.00 -0.39 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2ww3 s GLU 290 Cb -0.17 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2ww3 s GLU 290 CO -0.09 0.13 -0.09 0.14 0.02 0.00 0.00 175.26 175.36 2ww3 s VAL 291 N 0.76 3.40 0.21 2.63 -7.23 -1.26 -0.39 120.40 118.52 2ww3 s VAL 291 Ca 0.03 -1.26 -0.09 0.00 -1.81 0.00 0.00 61.98 58.85 2ww3 s VAL 291 Cb -0.13 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2ww3 s VAL 291 CO 0.02 0.11 0.34 -1.61 -0.31 0.00 0.00 175.10 173.65 2ww3 s GLU 292 N -2.22 1.34 -0.46 4.82 2.02 0.17 -4.95 118.70 119.42 2ww3 s GLU 292 Ca 0.22 -1.30 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 2ww3 s GLU 292 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2ww3 s GLU 292 CO 0.14 -0.51 0.19 0.41 0.02 0.00 0.00 175.26 175.50 2ww3 n GLY 293 N -0.30 0.33 2.08 -1.39 0.00 -1.26 -2.04 105.19 102.60 2ww3 n GLY 293 Ca -0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 2ww3 n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 294 N -0.98 3.68 3.96 -0.02 0.00 -1.26 -3.49 105.19 107.08 2ww3 n GLY 294 Ca -0.03 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 2ww3 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww3 s ASN 295 N -2.57 5.33 0.27 1.61 2.20 -1.26 -4.96 114.94 115.56 2ww3 s ASN 295 Ca 0.07 -0.62 -0.04 0.00 -0.94 0.00 0.00 52.86 51.33 2ww3 s ASN 295 Cb 0.00 -0.50 0.34 0.00 -2.00 0.00 0.00 41.25 39.09 2ww3 s ASN 295 CO 0.05 -0.78 1.94 0.25 -2.94 0.00 0.00 177.10 175.62 2ww3 h LEU 296 N 0.76 1.08 -0.67 3.54 5.85 -2.02 -1.57 115.31 122.27 2ww3 h LEU 296 Ca -0.40 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2ww3 h LEU 296 Cb 1.28 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 2ww3 h LEU 296 CO 0.50 0.77 0.30 0.44 -0.34 0.00 0.00 178.44 180.11 2ww3 h ASP 297 N 1.27 0.36 -0.28 1.25 3.32 -1.99 -0.80 116.42 119.54 2ww3 h ASP 297 Ca 0.36 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.35 2ww3 h ASP 297 Cb -0.11 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2ww3 h ASP 297 CO -0.09 0.20 -0.34 1.56 -1.72 0.00 0.00 179.24 178.86 2ww3 h GLN 298 N 0.51 0.73 -0.04 3.56 4.20 -1.71 0.13 115.11 122.50 2ww3 h GLN 298 Ca 0.34 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2ww3 h GLN 298 Cb 0.39 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2ww3 h GLN 298 CO -0.29 1.03 -0.10 1.88 -0.67 0.00 0.00 178.83 180.67 2ww3 h TYR 299 N 0.47 -0.26 -0.48 2.96 0.05 -1.04 0.13 116.97 118.81 2ww3 h TYR 299 Ca 0.04 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.85 2ww3 h TYR 299 Cb 0.92 0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 2ww3 h TYR 299 CO 0.07 -0.16 0.30 0.00 -1.05 0.00 0.00 178.16 177.32 2ww3 h ARG 300 N -0.16 0.58 -0.41 4.88 3.08 -1.04 0.60 114.38 121.91 2ww3 h ARG 300 Ca 0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2ww3 h ARG 300 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2ww3 h ARG 300 CO -0.13 0.38 0.08 1.15 -1.07 0.00 0.00 179.97 180.38 2ww3 h THR 301 N 0.60 1.24 -0.10 2.04 2.02 -0.73 0.64 112.91 118.61 2ww3 h THR 301 Ca 0.19 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2ww3 h THR 301 Cb -0.01 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2ww3 h THR 301 CO -0.07 0.29 0.03 0.15 0.37 0.00 0.00 175.52 176.29 2ww3 h PHE 302 N 0.52 0.15 0.00 3.16 3.57 -0.39 -0.78 116.94 123.18 2ww3 h PHE 302 Ca 0.13 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 2ww3 h PHE 302 Cb 0.35 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2ww3 h PHE 302 CO 0.02 0.28 -0.51 1.88 -2.23 0.00 0.00 178.31 177.75 2ww3 h TYR 303 N -0.02 0.00 -0.33 0.41 0.05 -0.85 -0.38 116.97 115.85 2ww3 h TYR 303 Ca 0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2ww3 h TYR 303 Cb 0.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2ww3 h TYR 303 CO -0.01 0.46 0.06 0.77 -1.05 0.00 0.00 178.16 178.39 2ww3 h SER 304 N 0.00 0.52 -0.80 3.88 0.02 -0.83 -1.54 113.55 114.80 2ww3 h SER 304 Ca -0.01 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2ww3 h SER 304 Cb 1.36 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 2ww3 h SER 304 CO 0.06 0.65 0.34 0.00 -1.14 0.00 0.00 176.83 176.73 2ww3 h LEU 306 N 1.16 0.81 -0.43 0.00 5.85 -1.03 -2.03 115.31 119.64 2ww3 h LEU 306 Ca 0.27 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2ww3 h LEU 306 Cb 0.19 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2ww3 h LEU 306 CO -0.03 0.81 0.21 0.22 -0.34 0.00 0.00 178.44 179.31 2ww3 h TYR 307 N 0.78 0.39 0.00 1.25 3.20 -0.95 -1.26 116.97 120.37 2ww3 h TYR 307 Ca 0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2ww3 h TYR 307 Cb 0.29 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2ww3 h TYR 307 CO 0.02 0.20 0.00 0.00 -1.64 0.00 0.00 178.16 176.74 2ww3 h ARG 308 N 0.43 0.00 -0.04 1.82 2.47 -0.84 -2.23 114.38 115.98 2ww3 h ARG 308 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2ww3 h ARG 308 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2ww3 h ARG 308 CO -0.13 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.83 2ww3 n SER 309 N -2.91 1.45 -0.76 7.04 7.64 -0.49 -3.74 113.62 121.87 2ww3 n SER 309 Ca -0.02 -1.52 0.06 0.00 1.01 0.00 0.00 58.87 58.41 2ww3 n SER 309 Cb 0.13 -0.02 0.16 0.00 -1.01 0.00 0.00 64.21 63.48 2ww3 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww3 n LEU 310 N 0.14 2.28 -0.03 -3.43 4.77 -0.84 -4.71 117.00 115.19 2ww3 n LEU 310 Ca 0.19 -3.41 -0.04 0.00 -0.03 0.00 0.00 56.01 52.71 2ww3 n LEU 310 Cb 0.34 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2ww3 n LEU 310 CO 0.16 1.16 -0.67 0.18 -1.33 0.00 0.00 177.39 176.89 2ww3 n LEU 311 N -0.78 1.67 -4.37 2.23 4.77 -1.26 -0.89 117.00 118.37 2ww3 n LEU 311 Ca 0.16 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 2ww3 n LEU 311 Cb 0.78 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.59 2ww3 n LEU 311 CO -0.04 0.34 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.45 2ww3 s PHE 312 N -2.10 2.22 0.75 -1.77 0.40 -1.26 -3.80 117.98 112.42 2ww3 s PHE 312 Ca -0.07 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 2ww3 s PHE 312 Cb 0.02 -1.19 0.04 0.00 0.51 0.00 0.00 43.02 42.40 2ww3 s PHE 312 CO 0.10 0.33 1.09 -1.25 0.70 0.00 0.00 175.22 176.20 2ww3 s PRO 313 N -2.10 2.39 0.46 0.24 0.04 -1.26 -4.91 135.00 129.86 2ww3 s PRO 313 Ca 0.13 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2ww3 s PRO 313 Cb -0.10 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2ww3 s PRO 313 CO 0.06 -1.55 0.84 -0.98 0.04 0.00 0.00 177.00 175.41 2ww3 s ARG 314 N -4.74 3.75 0.34 4.56 1.70 0.64 -4.79 118.95 120.42 2ww3 s ARG 314 Ca 0.62 0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 56.14 2ww3 s ARG 314 Cb -0.18 -2.31 -0.11 0.00 -0.57 0.00 0.00 34.95 31.79 2ww3 s ARG 314 CO 0.53 -0.16 1.45 0.15 -1.08 0.00 0.00 175.30 176.18 2ww3 s LYS 315 N -4.17 4.19 -0.09 3.89 1.02 0.27 -2.21 119.74 122.65 2ww3 s LYS 315 Ca 0.52 2.45 0.14 0.00 0.02 0.00 0.00 55.97 59.10 2ww3 s LYS 315 Cb -0.10 -3.02 0.29 0.00 -0.52 0.00 0.00 37.83 34.48 2ww3 s LYS 315 CO 0.36 -0.44 1.14 0.34 -0.92 0.00 0.00 175.35 175.82 2ww3 n PHE 316 N 0.98 0.00 -4.37 3.18 7.35 0.18 -3.97 117.46 120.81 2ww3 n PHE 316 Ca 0.02 -0.76 -0.25 0.00 -0.76 0.00 0.00 57.45 55.70 2ww3 n PHE 316 Cb 0.40 -0.15 -0.10 0.00 0.35 0.00 0.00 39.48 39.98 2ww3 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww3 s TYR 317 N -1.56 2.48 0.25 -5.13 -0.85 -1.17 -4.50 117.35 106.87 2ww3 s TYR 317 Ca 0.26 -0.28 0.05 0.00 -0.52 0.00 0.00 57.07 56.59 2ww3 s TYR 317 Cb 0.26 -1.16 -0.05 0.00 0.38 0.00 0.00 41.96 41.39 2ww3 s TYR 317 CO -0.05 0.59 -0.04 -1.21 -1.52 0.00 0.00 175.55 173.32 2ww3 s GLU 318 N -3.16 1.43 -0.21 -3.49 2.02 0.09 -4.95 118.70 110.44 2ww3 s GLU 318 Ca 0.27 -1.72 -0.06 0.00 0.02 0.00 0.00 54.97 53.48 2ww3 s GLU 318 Cb -0.07 -0.90 -0.03 0.00 0.10 0.00 0.00 34.13 33.23 2ww3 s GLU 318 CO 0.15 -0.01 0.02 -0.51 0.02 0.00 0.00 175.26 174.93 2ww3 s LEU 319 N -3.37 3.36 0.98 1.80 1.43 -1.26 -1.20 118.68 120.43 2ww3 s LEU 319 Ca 0.28 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 2ww3 s LEU 319 Cb 0.04 -1.86 0.19 0.00 0.03 0.00 0.00 46.19 44.59 2ww3 s LEU 319 CO 0.10 0.05 1.25 1.51 0.23 0.00 0.00 176.35 179.49 2ww3 s ASP 320 N 1.07 2.94 0.66 2.29 1.47 0.42 -4.72 116.67 120.80 2ww3 s ASP 320 Ca 0.03 0.46 0.27 0.00 1.18 0.00 0.00 52.55 54.49 2ww3 s ASP 320 Cb -0.14 -0.64 1.46 0.00 -0.34 0.00 0.00 42.92 43.26 2ww3 s ASP 320 CO 0.02 -2.86 1.83 0.00 0.68 0.00 0.00 175.17 174.84 2ww3 h ALA 321 N -1.72 1.50 -0.24 2.11 0.00 -1.99 1.78 119.26 120.70 2ww3 h ALA 321 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ww3 h ALA 321 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ww3 h ALA 321 CO 0.43 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.33 2ww3 n ASN 322 N -2.95 2.83 -0.06 0.00 3.02 -1.26 -4.96 115.26 111.87 2ww3 n ASN 322 Ca -0.00 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.71 2ww3 n ASN 322 Cb 0.48 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2ww3 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww3 n GLY 323 N 0.98 0.48 3.87 7.41 0.00 0.60 -5.04 105.19 113.49 2ww3 n GLY 323 Ca 0.13 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2ww3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 324 N -1.04 3.87 0.07 1.61 -1.52 -1.26 -4.66 119.66 116.74 2ww3 s GLN 324 Ca 0.00 0.40 -0.30 0.00 -1.95 0.00 0.00 55.36 53.50 2ww3 s GLN 324 Cb 0.00 -2.60 -0.06 0.00 -0.22 0.00 0.00 33.01 30.14 2ww3 s GLN 324 CO 0.00 0.28 1.16 -1.25 -0.25 0.00 0.00 175.29 175.23 2ww3 s PRO 325 N -2.82 4.47 0.07 2.91 0.04 -1.26 -0.43 135.00 137.98 2ww3 s PRO 325 Ca 0.49 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 2ww3 s PRO 325 Cb -0.11 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2ww3 s PRO 325 CO 0.20 -0.19 0.04 0.96 0.04 0.00 0.00 177.00 178.05 2ww3 s ILE 326 N 0.87 0.18 -0.06 0.56 -4.36 -0.34 -0.73 121.20 117.33 2ww3 s ILE 326 Ca 0.57 -1.69 -0.17 0.00 -0.26 0.00 0.00 60.65 59.10 2ww3 s ILE 326 Cb -0.28 -1.58 0.03 0.00 1.25 0.00 0.00 42.46 41.88 2ww3 s ILE 326 CO 0.30 -0.82 0.39 -1.38 0.24 0.00 0.00 174.94 173.66 2ww3 s HIS 327 N -3.93 -0.32 0.02 1.37 -3.43 0.82 -0.73 115.29 109.10 2ww3 s HIS 327 Ca 0.10 0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 54.67 2ww3 s HIS 327 Cb 0.07 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 31.33 2ww3 s HIS 327 CO -0.08 -0.37 1.24 -0.47 -2.00 0.00 0.00 174.74 173.05 2ww3 s TYR 328 N -0.88 3.28 -0.41 0.38 5.04 -1.26 -0.83 117.35 122.66 2ww3 s TYR 328 Ca -0.09 1.19 -0.26 0.00 -2.44 0.00 0.00 57.07 55.47 2ww3 s TYR 328 Cb -0.04 -3.47 0.02 0.00 0.35 0.00 0.00 41.96 38.82 2ww3 s TYR 328 CO 0.04 -1.50 0.95 0.45 -1.34 0.00 0.00 175.55 174.15 2ww3 s SER 329 N 1.29 6.62 0.00 4.32 0.15 0.11 -4.86 113.70 121.33 2ww3 s SER 329 Ca 0.59 0.44 0.15 0.00 0.70 0.00 0.00 55.95 57.83 2ww3 s SER 329 Cb -0.29 -2.47 0.83 0.00 -1.71 0.00 0.00 66.02 62.38 2ww3 s SER 329 CO 0.27 -0.96 1.37 -0.81 1.20 0.00 0.00 173.24 174.32 2ww3 n PRO 330 N 7.00 0.34 -0.12 5.44 -0.04 -1.26 -0.83 135.00 145.53 2ww3 n PRO 330 Ca 0.07 0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.36 2ww3 n PRO 330 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 2ww3 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ww3 n TYR 331 N -1.15 0.44 0.00 0.54 4.01 -1.26 -3.59 117.16 116.15 2ww3 n TYR 331 Ca 0.09 0.19 0.01 0.00 -0.16 0.00 0.00 57.90 58.03 2ww3 n TYR 331 Cb 0.09 -1.01 0.01 0.00 -0.31 0.00 0.00 39.34 38.12 2ww3 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww3 n ASN 332 N -4.35 1.74 0.00 7.72 0.23 -1.21 -4.77 115.26 114.62 2ww3 n ASN 332 Ca -0.42 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 2ww3 n ASN 332 Cb 0.77 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 2ww3 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww3 n GLY 333 N -0.25 0.34 3.92 4.83 0.00 -0.01 -5.00 105.19 109.04 2ww3 n GLY 333 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2ww3 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 334 N -0.74 3.53 -0.41 1.61 -0.21 -1.26 -4.77 119.66 117.41 2ww3 s GLN 334 Ca 0.00 -0.10 -0.18 0.00 0.02 0.00 0.00 55.36 55.11 2ww3 s GLN 334 Cb 0.00 -2.56 0.02 0.00 1.00 0.00 0.00 33.01 31.47 2ww3 s GLN 334 CO 0.00 0.03 0.47 0.08 -2.12 0.00 0.00 175.29 173.75 2ww3 s VAL 335 N -2.44 5.05 0.22 1.09 1.01 -1.26 -0.71 120.40 123.35 2ww3 s VAL 335 Ca 0.43 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2ww3 s VAL 335 Cb -0.10 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2ww3 s VAL 335 CO 0.38 -0.39 -0.11 -0.76 0.00 0.00 0.00 175.10 174.22 2ww3 s LEU 336 N 2.25 2.51 0.70 3.92 1.43 -0.01 -4.92 118.68 124.56 2ww3 s LEU 336 Ca 0.14 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 2ww3 s LEU 336 Cb -0.16 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.45 2ww3 s LEU 336 CO 0.14 -0.24 1.06 -2.16 0.23 0.00 0.00 176.35 175.38 2ww3 s PRO 337 N -3.69 2.95 0.00 1.29 0.04 -1.26 -0.12 135.00 134.21 2ww3 s PRO 337 Ca 0.24 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2ww3 s PRO 337 Cb 0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ww3 s PRO 337 CO 0.08 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2ww3 n GLY 338 N -2.32 0.34 3.76 0.56 0.00 0.09 -4.77 105.19 102.85 2ww3 n GLY 338 Ca 0.07 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 2ww3 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww3 s TYR 339 N -1.45 2.55 -0.28 1.61 2.02 -1.26 -4.05 117.35 116.49 2ww3 s TYR 339 Ca 0.00 1.55 -0.19 0.00 -0.37 0.00 0.00 57.07 58.07 2ww3 s TYR 339 Cb 0.00 -3.26 0.09 0.00 -0.40 0.00 0.00 41.96 38.39 2ww3 s TYR 339 CO 0.00 -1.80 0.74 1.41 -1.57 0.00 0.00 175.55 174.33 2ww3 s MET 340 N -3.81 0.70 0.16 -0.62 -2.45 -1.26 -4.07 119.30 107.95 2ww3 s MET 340 Ca 0.70 1.09 0.04 0.00 -1.25 0.00 0.00 55.69 56.27 2ww3 s MET 340 Cb -0.23 0.21 -0.05 0.00 1.25 0.00 0.00 34.83 36.01 2ww3 s MET 340 CO 0.38 -0.13 -0.08 -0.06 1.05 0.00 0.00 175.02 176.18 2ww3 s PHE 341 N 1.24 1.32 0.13 4.11 0.40 -1.26 0.50 117.98 124.41 2ww3 s PHE 341 Ca -0.07 -0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 55.41 2ww3 s PHE 341 Cb -0.05 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.81 2ww3 s PHE 341 CO -0.14 0.05 0.30 -2.37 0.70 0.00 0.00 175.22 173.76 2ww3 n THR 342 N -0.24 0.00 -2.36 0.64 5.66 -0.94 -4.88 114.28 112.16 2ww3 n THR 342 Ca -0.09 -0.32 -0.07 0.00 -3.05 0.00 0.00 64.05 60.51 2ww3 n THR 342 Cb 0.61 0.34 0.03 0.00 -1.55 0.00 0.00 70.33 69.76 2ww3 n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ww3 n ASP 343 N -1.12 -4.07 -3.46 1.09 8.00 -0.47 -0.26 116.55 116.26 2ww3 n ASP 343 Ca -0.03 -0.34 -0.14 0.00 0.71 0.00 0.00 54.79 55.00 2ww3 n ASP 343 Cb 0.21 -2.76 -0.03 0.00 -0.02 0.00 0.00 41.12 38.52 2ww3 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww3 s THR 344 N -3.19 0.00 -0.21 -3.53 -1.32 -1.00 -4.36 115.64 102.05 2ww3 s THR 344 Ca 0.20 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 2ww3 s THR 344 Cb -0.03 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.01 2ww3 s THR 344 CO 0.35 -0.02 -0.06 -0.83 -2.21 0.00 0.00 174.62 171.85 2ww3 s GLY 345 N -2.33 1.19 0.58 6.08 0.00 -1.26 -1.97 107.32 109.61 2ww3 s GLY 345 Ca -0.02 -1.18 0.29 0.00 0.00 0.00 0.00 44.72 43.81 2ww3 s GLY 345 CO -0.07 0.88 2.22 0.74 0.00 0.00 0.00 173.10 176.88 2ww3 h PHE 346 N 8.01 0.00 -0.38 1.90 0.04 -1.58 0.11 116.94 125.02 2ww3 h PHE 346 Ca -0.22 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.66 2ww3 h PHE 346 Cb 1.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 2ww3 h PHE 346 CO 0.48 0.02 0.28 2.35 -0.60 0.00 0.00 178.31 180.84 2ww3 h TRP 347 N 0.00 0.02 0.00 -0.55 7.01 -1.81 -1.43 115.95 119.19 2ww3 h TRP 347 Ca -0.00 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 2ww3 h TRP 347 Cb 0.07 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2ww3 h TRP 347 CO 0.00 0.01 -0.65 -0.44 -2.79 0.00 0.00 178.44 174.57 2ww3 h ASP 348 N 0.02 0.00 0.16 2.65 3.45 -1.21 -3.43 116.42 118.06 2ww3 h ASP 348 Ca 0.18 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.24 2ww3 h ASP 348 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 2ww3 h ASP 348 CO -0.01 1.07 -0.21 0.35 -1.57 0.00 0.00 179.24 178.87 2ww3 n THR 349 N -4.56 0.00 0.20 0.35 -2.24 -0.69 -3.14 114.28 104.20 2ww3 n THR 349 Ca -0.17 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.51 2ww3 n THR 349 Cb 0.44 0.49 0.43 0.00 -2.10 0.00 0.00 70.33 69.59 2ww3 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww3 h PHE 350 N 1.59 0.00 0.78 4.78 -0.00 -1.53 -1.94 116.94 120.63 2ww3 h PHE 350 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 2ww3 h PHE 350 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.49 2ww3 h PHE 350 CO 0.00 0.31 -0.38 0.00 -0.00 0.00 0.00 178.31 178.25 2ww3 h ARG 351 N 0.00 -1.01 0.00 6.09 3.08 -1.79 -3.42 114.38 117.32 2ww3 h ARG 351 Ca -0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2ww3 h ARG 351 Cb 0.72 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2ww3 h ARG 351 CO 0.04 -0.66 0.00 0.00 -1.07 0.00 0.00 179.97 178.28 2ww3 h LEU 353 N 0.00 -0.10 -0.75 0.00 7.12 -1.80 -0.91 115.31 118.87 2ww3 h LEU 353 Ca 0.00 -0.35 -0.09 0.00 0.13 0.00 0.00 57.88 57.57 2ww3 h LEU 353 Cb 0.10 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.23 2ww3 h LEU 353 CO 0.00 0.31 -0.01 -0.26 -0.13 0.00 0.00 178.44 178.36 2ww3 h PHE 354 N -0.53 1.03 -0.52 1.25 0.04 -1.62 -2.53 116.94 114.05 2ww3 h PHE 354 Ca -0.01 -0.17 0.03 0.00 2.80 0.00 0.00 57.97 60.62 2ww3 h PHE 354 Cb 0.44 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2ww3 h PHE 354 CO 0.06 0.92 0.35 -1.35 -0.60 0.00 0.00 178.31 177.69 2ww3 h PRO 355 N 0.87 0.60 -0.78 1.51 0.11 -1.80 -0.25 132.00 132.26 2ww3 h PRO 355 Ca 0.16 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.25 2ww3 h PRO 355 Cb 0.52 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 2ww3 h PRO 355 CO 0.03 0.40 0.51 1.25 -0.21 0.00 0.00 178.00 179.98 2ww3 h LEU 356 N 0.62 0.88 -0.53 2.35 5.85 -0.74 -1.95 115.31 121.79 2ww3 h LEU 356 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2ww3 h LEU 356 Cb 0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2ww3 h LEU 356 CO -0.05 0.63 0.24 -0.07 -0.34 0.00 0.00 178.44 178.85 2ww3 h LEU 357 N 1.04 0.71 -1.91 2.25 3.38 -0.85 -0.35 115.31 119.57 2ww3 h LEU 357 Ca 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2ww3 h LEU 357 Cb -0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2ww3 h LEU 357 CO -0.08 0.65 -0.10 0.78 0.09 0.00 0.00 178.44 179.79 2ww3 h ASN 358 N 0.72 0.00 0.00 -0.43 -0.26 -0.97 0.28 115.58 114.92 2ww3 h ASN 358 Ca 0.18 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.76 2ww3 h ASN 358 Cb 0.15 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 2ww3 h ASN 358 CO -0.02 0.10 -0.88 0.25 -1.06 0.00 0.00 177.43 175.81 2ww3 h LEU 359 N 0.00 0.00 0.00 1.61 5.85 -0.99 -3.40 115.31 118.38 2ww3 h LEU 359 Ca -0.00 -0.65 -0.15 0.00 0.84 0.00 0.00 57.88 57.92 2ww3 h LEU 359 Cb 0.35 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2ww3 h LEU 359 CO 0.01 1.34 -1.99 0.23 -0.34 0.00 0.00 178.44 177.70 2ww3 n MET 360 N -4.49 0.88 -2.89 1.25 2.81 -0.17 -4.73 117.12 109.78 2ww3 n MET 360 Ca -0.25 -0.09 -0.15 0.00 -1.81 0.00 0.00 57.70 55.39 2ww3 n MET 360 Cb 0.62 -1.43 -0.00 0.00 -0.71 0.00 0.00 33.22 31.69 2ww3 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww3 n TYR 361 N -2.37 1.02 0.23 2.03 4.01 0.85 -4.52 117.16 118.42 2ww3 n TYR 361 Ca -0.15 -3.32 0.11 0.00 -0.16 0.00 0.00 57.90 54.38 2ww3 n TYR 361 Cb 0.75 -0.39 0.70 0.00 -0.31 0.00 0.00 39.34 40.09 2ww3 n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ww3 h PRO 362 N 2.97 0.00 -0.15 -0.72 0.13 -1.40 -1.81 132.00 131.03 2ww3 h PRO 362 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 2ww3 h PRO 362 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2ww3 h PRO 362 CO 0.54 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.87 2ww3 h SER 363 N 0.00 0.21 0.07 1.44 4.64 -1.92 -0.82 113.55 117.17 2ww3 h SER 363 Ca 0.03 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 2ww3 h SER 363 Cb 0.14 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2ww3 h SER 363 CO -0.00 0.34 -1.03 0.58 -0.87 0.00 0.00 176.83 175.85 2ww3 h VAL 364 N 0.21 1.33 -0.04 0.95 2.07 -1.69 -3.18 116.25 115.91 2ww3 h VAL 364 Ca 0.05 -2.34 -0.11 0.00 0.82 0.00 0.00 66.70 65.12 2ww3 h VAL 364 Cb 0.32 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2ww3 h VAL 364 CO 0.02 0.70 -0.48 -1.13 0.02 0.00 0.00 177.57 176.71 2ww3 h ASN 365 N 0.17 0.10 -0.70 0.57 -1.24 -1.33 -1.90 115.58 111.24 2ww3 h ASN 365 Ca -0.15 -0.05 0.15 0.00 0.71 0.00 0.00 56.30 56.96 2ww3 h ASN 365 Cb 1.72 -0.03 -0.10 0.00 0.73 0.00 0.00 38.32 40.64 2ww3 h ASN 365 CO 0.20 0.56 0.14 0.50 -1.29 0.00 0.00 177.43 177.55 2ww3 h LYS 366 N 0.08 0.24 -0.69 6.67 1.63 -1.15 1.01 116.57 124.35 2ww3 h LYS 366 Ca 0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2ww3 h LYS 366 Cb 0.87 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 2ww3 h LYS 366 CO 0.07 0.16 0.26 0.93 -3.45 0.00 0.00 179.45 177.42 2ww3 h GLU 367 N 0.25 1.05 0.09 1.90 5.08 -1.35 -1.60 114.58 119.98 2ww3 h GLU 367 Ca 0.38 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2ww3 h GLU 367 Cb 0.64 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ww3 h GLU 367 CO -0.49 0.88 -0.04 0.52 -1.00 0.00 0.00 179.01 178.87 2ww3 h MET 368 N 1.00 -0.11 -0.47 2.33 2.86 0.06 -0.23 114.93 120.36 2ww3 h MET 368 Ca 0.23 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.97 2ww3 h MET 368 Cb 0.23 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 2ww3 h MET 368 CO -0.02 0.19 -0.02 1.96 1.06 0.00 0.00 176.91 180.08 2ww3 h GLN 369 N -0.41 0.09 -0.98 1.72 1.08 0.92 0.17 115.11 117.69 2ww3 h GLN 369 Ca -0.01 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.30 2ww3 h GLN 369 Cb 0.35 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.68 2ww3 h GLN 369 CO 0.02 0.06 0.60 0.93 -0.95 0.00 0.00 178.83 179.49 2ww3 h GLU 370 N 0.09 0.92 -0.77 1.46 4.39 -1.17 -0.41 114.58 119.09 2ww3 h GLU 370 Ca 0.23 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.89 2ww3 h GLU 370 Cb 0.35 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2ww3 h GLU 370 CO -0.41 0.61 0.51 0.78 -1.16 0.00 0.00 179.01 179.34 2ww3 h GLY 371 N 0.95 1.09 0.99 -3.84 0.00 0.11 -2.67 103.07 99.70 2ww3 h GLY 371 Ca 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2ww3 h GLY 371 CO -0.27 0.38 0.31 1.41 0.00 0.00 0.00 176.54 178.38 2ww3 h LEU 372 N 1.03 0.76 -0.31 3.11 3.38 0.79 -1.83 115.31 122.24 2ww3 h LEU 372 Ca 0.29 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2ww3 h LEU 372 Cb -0.10 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 2ww3 h LEU 372 CO -0.07 0.64 -0.14 0.40 0.09 0.00 0.00 178.44 179.37 2ww3 h ILE 373 N 0.81 0.57 -0.75 1.22 1.08 -1.06 0.44 117.51 119.82 2ww3 h ILE 373 Ca 0.21 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.74 2ww3 h ILE 373 Cb 0.07 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 2ww3 h ILE 373 CO -0.03 0.00 0.49 0.78 -0.69 0.00 0.00 178.15 178.70 2ww3 h ASN 374 N -0.09 0.71 -0.50 1.72 -0.26 -1.13 -0.49 115.58 115.55 2ww3 h ASN 374 Ca 0.16 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 2ww3 h ASN 374 Cb 0.33 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2ww3 h ASN 374 CO -0.37 0.47 0.27 0.74 -1.06 0.00 0.00 177.43 177.48 2ww3 h THR 375 N 0.81 1.18 0.01 2.81 2.02 -0.35 0.15 112.91 119.53 2ww3 h THR 375 Ca 0.32 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2ww3 h THR 375 Cb 0.21 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2ww3 h THR 375 CO -0.10 0.19 -0.18 0.22 0.37 0.00 0.00 175.52 176.02 2ww3 h TYR 376 N 0.66 -0.46 -0.30 3.16 3.20 0.48 -1.42 116.97 122.28 2ww3 h TYR 376 Ca 0.17 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2ww3 h TYR 376 Cb 0.06 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2ww3 h TYR 376 CO -0.02 -0.26 0.06 -0.07 -1.64 0.00 0.00 178.16 176.24 2ww3 h LEU 377 N -0.29 0.39 0.00 2.82 3.38 -0.79 0.25 115.31 121.06 2ww3 h LEU 377 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ww3 h LEU 377 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ww3 h LEU 377 CO -0.16 0.41 -0.95 -0.33 0.09 0.00 0.00 178.44 177.50 2ww3 h GLU 378 N 0.43 0.00 0.00 1.13 5.08 -0.44 -3.38 114.58 117.40 2ww3 h GLU 378 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2ww3 h GLU 378 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2ww3 h GLU 378 CO -0.00 0.00 -0.32 -1.13 -1.00 0.00 0.00 179.01 176.56 2ww3 n SER 379 N -2.65 1.59 0.00 1.42 3.41 -0.56 -4.11 113.62 112.72 2ww3 n SER 379 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2ww3 n SER 379 Cb 0.54 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 2ww3 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww3 n GLY 380 N 1.16 1.84 3.08 5.00 0.00 0.85 -5.01 105.19 112.10 2ww3 n GLY 380 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ww3 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 381 N -2.72 0.66 0.52 1.61 0.40 -1.23 -4.97 117.98 112.25 2ww3 s PHE 381 Ca 0.00 -0.62 -0.20 0.00 -0.60 0.00 0.00 56.93 55.51 2ww3 s PHE 381 Cb 0.00 -0.40 -0.07 0.00 0.51 0.00 0.00 43.02 43.06 2ww3 s PHE 381 CO 0.00 -0.13 1.08 -0.06 0.70 0.00 0.00 175.22 176.82 2ww3 s PHE 382 N -2.00 2.83 0.47 0.36 0.08 -1.26 -3.39 117.98 115.07 2ww3 s PHE 382 Ca -0.05 1.56 -0.08 0.00 0.12 0.00 0.00 56.93 58.48 2ww3 s PHE 382 Cb -0.06 -3.17 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 2ww3 s PHE 382 CO -0.01 -1.21 0.81 -1.25 -0.10 0.00 0.00 175.22 173.46 2ww3 s PRO 383 N -3.29 3.65 -0.00 0.24 0.04 -1.26 -4.52 135.00 129.85 2ww3 s PRO 383 Ca 0.70 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 2ww3 s PRO 383 Cb -0.20 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 2ww3 s PRO 383 CO 0.24 -0.19 -0.03 0.39 0.04 0.00 0.00 177.00 177.45 2ww3 n GLU 384 N -1.94 0.05 -3.71 4.56 -0.58 -1.26 -4.60 120.64 113.15 2ww3 n GLU 384 Ca 0.02 0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.42 2ww3 n GLU 384 Cb 0.55 -0.35 -0.10 0.00 -0.57 0.00 0.00 31.44 30.97 2ww3 n GLU 384 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2ww3 s TRP 385 N -1.30 3.28 -0.09 -0.32 0.52 -1.26 -1.40 118.94 118.37 2ww3 s TRP 385 Ca -0.03 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.25 2ww3 s TRP 385 Cb 0.00 -2.24 0.02 0.00 -1.15 0.00 0.00 33.47 30.10 2ww3 s TRP 385 CO 0.04 0.03 -0.12 0.00 0.02 0.00 0.00 176.95 176.92 2ww3 s ALA 386 N 1.03 1.40 -0.46 0.98 0.00 -0.83 -1.05 121.76 122.83 2ww3 s ALA 386 Ca 0.07 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2ww3 s ALA 386 Cb -0.14 -0.72 0.20 0.00 0.00 0.00 0.00 23.12 22.46 2ww3 s ALA 386 CO 0.04 -0.06 0.86 0.45 0.00 0.00 0.00 175.76 177.05 2ww3 n SER 387 N 4.18 -2.77 -0.02 0.00 2.88 -1.26 -1.36 113.62 115.27 2ww3 n SER 387 Ca -0.19 -2.26 -0.01 0.00 -1.33 0.00 0.00 58.87 55.07 2ww3 n SER 387 Cb 0.51 1.41 -0.12 0.00 -0.75 0.00 0.00 64.21 65.26 2ww3 n SER 387 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ww3 n PRO 388 N 2.78 0.65 -0.59 -1.46 -0.04 -1.24 -4.64 135.00 130.46 2ww3 n PRO 388 Ca 0.16 0.08 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2ww3 n PRO 388 Cb 0.59 -1.67 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 2ww3 n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 389 N 1.48 -0.47 3.72 0.55 0.00 0.30 -4.73 105.19 106.04 2ww3 n GLY 389 Ca -0.16 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2ww3 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww3 s HIS 390 N -1.11 2.82 0.02 1.61 3.76 -1.26 -4.31 115.29 116.83 2ww3 s HIS 390 Ca 0.13 0.32 0.05 0.00 -0.15 0.00 0.00 55.06 55.41 2ww3 s HIS 390 Cb -0.00 -4.13 -0.02 0.00 1.11 0.00 0.00 32.58 29.54 2ww3 s HIS 390 CO 0.09 -4.33 -0.15 1.03 -0.85 0.00 0.00 174.74 170.54 2ww3 s ARG 391 N 1.37 1.06 -0.34 1.40 1.81 -0.21 -4.38 118.95 119.65 2ww3 s ARG 391 Ca 0.75 -0.69 -0.23 0.00 -1.72 0.00 0.00 55.73 53.84 2ww3 s ARG 391 Cb -0.49 -1.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 2ww3 s ARG 391 CO 0.32 0.27 0.78 0.20 -0.68 0.00 0.00 175.30 176.20 2ww3 s GLY 392 N -0.86 1.68 -0.30 -3.53 0.00 -1.26 -4.33 107.32 98.72 2ww3 s GLY 392 Ca 0.04 -0.55 -0.22 0.00 0.00 0.00 0.00 44.72 43.99 2ww3 s GLY 392 CO 0.01 1.75 1.32 0.00 0.00 0.00 0.00 173.10 176.17 2ww3 n MET 394 N 2.19 0.00 -3.30 0.00 2.81 -1.26 -4.64 117.12 112.93 2ww3 n MET 394 Ca -0.13 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.66 2ww3 n MET 394 Cb 0.57 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.06 2ww3 n MET 394 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2ww3 n VAL 395 N 0.00 0.00 0.00 2.03 0.24 -1.26 -4.71 118.33 114.63 2ww3 n VAL 395 Ca 0.00 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 2ww3 n VAL 395 Cb 0.00 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 2ww3 n VAL 395 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ww3 n GLY 396 N -0.42 -0.56 2.51 7.63 0.00 -1.26 -4.61 105.19 108.47 2ww3 n GLY 396 Ca 0.00 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 2ww3 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww3 n ASN 397 N -1.15 3.74 0.00 1.61 4.05 -1.26 -4.88 115.26 117.37 2ww3 n ASN 397 Ca 0.00 -3.40 0.14 0.00 0.45 0.00 0.00 54.58 51.77 2ww3 n ASN 397 Cb 0.00 -0.47 0.68 0.00 1.23 0.00 0.00 39.78 41.22 2ww3 n ASN 397 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2ww3 n ASN 398 N -0.39 0.00 -0.17 1.20 5.03 -1.26 -1.64 115.26 118.04 2ww3 n ASN 398 Ca 0.30 0.03 0.28 0.00 0.87 0.00 0.00 54.58 56.06 2ww3 n ASN 398 Cb 0.73 -0.34 0.72 0.00 -1.02 0.00 0.00 39.78 39.87 2ww3 n ASN 398 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2ww3 h SER 399 N 0.00 0.00 -0.08 6.41 4.64 -1.90 0.18 113.55 122.79 2ww3 h SER 399 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2ww3 h SER 399 Cb 0.32 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2ww3 h SER 399 CO 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.75 2ww3 h ALA 400 N 1.56 1.14 -0.02 5.18 0.00 -1.67 0.13 119.26 125.59 2ww3 h ALA 400 Ca 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ww3 h ALA 400 Cb 1.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2ww3 h ALA 400 CO -0.01 0.54 -0.00 1.03 0.00 0.00 0.00 179.25 180.81 2ww3 h SER 401 N 0.44 0.03 -0.27 0.00 0.87 -0.89 -1.89 113.55 111.85 2ww3 h SER 401 Ca 0.07 -0.32 0.06 0.00 -1.23 0.00 0.00 61.79 60.36 2ww3 h SER 401 Cb 0.61 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.48 2ww3 h SER 401 CO 0.04 0.35 -0.40 0.40 -0.53 0.00 0.00 176.83 176.70 2ww3 h ILE 402 N -0.28 0.16 -0.75 2.23 1.08 -1.08 0.23 117.51 119.10 2ww3 h ILE 402 Ca 0.01 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.44 2ww3 h ILE 402 Cb 0.33 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 2ww3 h ILE 402 CO 0.00 0.00 0.31 -0.07 -0.69 0.00 0.00 178.15 177.70 2ww3 h LEU 403 N -0.39 1.02 0.19 1.44 3.38 -0.97 -2.28 115.31 117.71 2ww3 h LEU 403 Ca 0.11 -0.17 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 2ww3 h LEU 403 Cb 0.59 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ww3 h LEU 403 CO -0.48 0.91 -1.59 0.58 0.09 0.00 0.00 178.44 177.95 2ww3 h VAL 404 N 1.07 1.12 -0.70 1.22 2.07 -1.07 -2.77 116.25 117.18 2ww3 h VAL 404 Ca 0.25 -2.67 0.03 0.00 0.82 0.00 0.00 66.70 65.13 2ww3 h VAL 404 Cb 0.20 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 2ww3 h VAL 404 CO -0.02 0.84 0.46 -0.78 0.02 0.00 0.00 177.57 178.09 2ww3 h ASP 405 N 0.11 0.75 -0.17 0.57 3.58 -0.54 0.35 116.42 121.07 2ww3 h ASP 405 Ca -0.28 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.11 2ww3 h ASP 405 Cb 2.10 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.96 2ww3 h ASP 405 CO 0.21 0.52 -0.06 0.00 -2.88 0.00 0.00 179.24 177.03 2ww3 h ALA 406 N 1.58 0.24 -0.44 -0.78 0.00 -1.41 -1.95 119.26 116.50 2ww3 h ALA 406 Ca 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ww3 h ALA 406 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ww3 h ALA 406 CO -0.07 0.02 0.10 -0.92 0.00 0.00 0.00 179.25 178.37 2ww3 h TYR 407 N 0.04 0.75 0.00 0.00 5.03 -1.18 0.10 116.97 121.71 2ww3 h TYR 407 Ca 0.04 -0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.23 2ww3 h TYR 407 Cb 0.51 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 2ww3 h TYR 407 CO 0.06 0.70 -0.12 0.52 -1.32 0.00 0.00 178.16 178.00 2ww3 h MET 408 N 0.59 0.00 -0.64 1.82 2.86 -0.93 -1.99 114.93 116.64 2ww3 h MET 408 Ca 0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2ww3 h MET 408 Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2ww3 h MET 408 CO 0.00 0.12 0.01 1.63 1.06 0.00 0.00 176.91 179.73 2ww3 n LYS 409 N -3.41 4.40 -1.01 1.72 5.02 -0.74 -4.90 118.16 119.23 2ww3 n LYS 409 Ca -0.01 -2.76 -0.00 0.00 -2.02 0.00 0.00 58.31 53.52 2ww3 n LYS 409 Cb 0.30 -2.17 -0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2ww3 n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 410 N 0.53 0.47 3.27 0.72 0.00 -0.75 -4.97 105.19 104.46 2ww3 n GLY 410 Ca 0.25 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 2ww3 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww3 s VAL 411 N -1.98 5.24 -0.20 1.61 1.01 0.31 -5.01 120.40 121.37 2ww3 s VAL 411 Ca 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 61.98 59.12 2ww3 s VAL 411 Cb 0.00 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2ww3 s VAL 411 CO 0.00 -1.03 -0.03 -0.54 0.00 0.00 0.00 175.10 173.50 2ww3 s LYS 412 N -0.23 3.48 1.09 2.72 1.02 -1.26 -3.16 119.74 123.39 2ww3 s LYS 412 Ca 0.21 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.49 2ww3 s LYS 412 Cb -0.12 -3.00 0.24 0.00 -0.52 0.00 0.00 37.83 34.43 2ww3 s LYS 412 CO -0.08 -0.07 1.06 0.14 -0.92 0.00 0.00 175.35 175.48 2ww3 s VAL 413 N 1.17 2.09 -0.28 3.17 -7.23 -1.26 -4.92 120.40 113.14 2ww3 s VAL 413 Ca 0.02 0.03 0.26 0.00 -1.81 0.00 0.00 61.98 60.48 2ww3 s VAL 413 Cb -0.14 -2.15 0.34 0.00 0.56 0.00 0.00 36.38 34.98 2ww3 s VAL 413 CO -0.00 -0.04 1.71 0.44 -0.31 0.00 0.00 175.10 176.90 2ww3 h ASP 414 N -2.36 0.00 -3.84 4.85 3.32 -1.99 -3.39 116.42 113.01 2ww3 h ASP 414 Ca -0.57 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.85 2ww3 h ASP 414 Cb 1.32 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.46 2ww3 h ASP 414 CO 0.50 0.02 -0.65 -0.62 -1.72 0.00 0.00 179.24 176.77 2ww3 s ASP 415 N -6.08 4.21 0.15 6.45 -1.08 -1.26 -4.95 116.67 114.12 2ww3 s ASP 415 Ca 0.05 -3.15 -0.16 0.00 -0.52 0.00 0.00 52.55 48.77 2ww3 s ASP 415 Cb 0.06 -1.49 0.01 0.00 -1.46 0.00 0.00 42.92 40.05 2ww3 s ASP 415 CO 0.64 -0.20 1.80 0.16 0.52 0.00 0.00 175.17 178.09 2ww3 h ILE 416 N 5.16 1.11 -0.36 4.11 3.07 -1.99 -2.74 117.51 125.87 2ww3 h ILE 416 Ca -0.00 -0.23 0.08 0.00 1.55 0.00 0.00 64.86 66.26 2ww3 h ILE 416 Cb 0.87 0.55 -0.08 0.00 -0.27 0.00 0.00 36.82 37.88 2ww3 h ILE 416 CO 0.65 0.11 -0.23 0.11 -1.05 0.00 0.00 178.15 177.74 2ww3 h LYS 417 N 0.54 -0.17 0.00 0.16 1.57 -1.98 0.24 116.57 116.93 2ww3 h LYS 417 Ca 0.15 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2ww3 h LYS 417 Cb -0.04 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2ww3 h LYS 417 CO -0.03 -0.11 -0.22 1.15 -0.57 0.00 0.00 179.45 179.66 2ww3 h THR 418 N -0.18 1.11 0.30 -0.16 2.02 -1.99 -2.00 112.91 112.02 2ww3 h THR 418 Ca 0.18 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2ww3 h THR 418 Cb 0.46 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2ww3 h THR 418 CO -0.47 0.22 -0.14 0.25 0.37 0.00 0.00 175.52 175.75 2ww3 h LEU 419 N 0.00 -0.34 -0.35 2.58 5.85 -0.25 -2.20 115.31 120.61 2ww3 h LEU 419 Ca -0.00 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2ww3 h LEU 419 Cb 0.41 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2ww3 h LEU 419 CO 0.03 -0.20 -0.03 0.22 -0.34 0.00 0.00 178.44 178.12 2ww3 h TYR 420 N -0.46 0.69 -0.91 1.25 3.20 -1.10 -1.81 116.97 117.84 2ww3 h TYR 420 Ca -0.04 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.74 2ww3 h TYR 420 Cb 0.35 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2ww3 h TYR 420 CO -0.04 0.76 0.60 0.93 -1.64 0.00 0.00 178.16 178.76 2ww3 h GLU 421 N 0.43 1.08 -0.20 1.82 5.08 -1.38 0.15 114.58 121.56 2ww3 h GLU 421 Ca 0.09 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2ww3 h GLU 421 Cb 0.50 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2ww3 h GLU 421 CO 0.02 0.72 -0.37 0.78 -1.00 0.00 0.00 179.01 179.16 2ww3 h GLY 422 N 1.12 0.47 0.86 -3.84 0.00 -1.16 -0.24 103.07 100.27 2ww3 h GLY 422 Ca 0.37 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ww3 h GLY 422 CO -0.12 0.39 0.05 1.41 0.00 0.00 0.00 176.54 178.28 2ww3 h LEU 423 N 0.36 0.24 -0.53 3.11 3.38 -0.36 -2.70 115.31 118.81 2ww3 h LEU 423 Ca 0.04 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2ww3 h LEU 423 Cb 0.81 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2ww3 h LEU 423 CO 0.07 0.38 0.29 0.40 0.09 0.00 0.00 178.44 179.67 2ww3 h ILE 424 N 0.09 1.00 -0.84 1.22 1.08 -0.56 -2.52 117.51 116.99 2ww3 h ILE 424 Ca 0.05 -0.20 0.07 0.00 -0.39 0.00 0.00 64.86 64.40 2ww3 h ILE 424 Cb 0.22 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 2ww3 h ILE 424 CO -0.00 0.10 0.54 -0.74 -0.69 0.00 0.00 178.15 177.37 2ww3 h HIS 425 N 0.57 0.93 -0.04 1.37 2.76 -1.00 -2.41 115.15 117.32 2ww3 h HIS 425 Ca 0.22 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.33 2ww3 h HIS 425 Cb 0.09 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 2ww3 h HIS 425 CO -0.08 0.48 -0.36 0.78 -1.30 0.00 0.00 177.93 177.44 2ww3 h GLY 426 N 0.90 0.09 1.42 5.26 0.00 -1.11 -2.89 103.07 106.74 2ww3 h GLY 426 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2ww3 h GLY 426 CO -0.13 0.07 0.00 -1.30 0.00 0.00 0.00 176.54 175.18 2ww3 n THR 427 N -4.09 0.12 -2.41 4.70 -2.24 -0.91 -3.13 114.28 106.33 2ww3 n THR 427 Ca -0.02 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2ww3 n THR 427 Cb 0.42 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2ww3 n THR 427 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ww3 n GLU 428 N -1.21 0.25 -3.71 -0.78 0.28 -1.10 -4.91 120.64 109.45 2ww3 n GLU 428 Ca 0.14 -1.85 -0.13 0.00 -0.16 0.00 0.00 57.16 55.16 2ww3 n GLU 428 Cb 0.18 -0.01 -0.08 0.00 1.43 0.00 0.00 31.44 32.96 2ww3 n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2ww3 s ASN 429 N -1.88 -0.26 0.06 -1.84 0.01 -1.14 -5.05 114.94 104.84 2ww3 s ASN 429 Ca 0.23 0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.52 2ww3 s ASN 429 Cb 0.28 0.37 -0.03 0.00 0.41 0.00 0.00 41.25 42.29 2ww3 s ASN 429 CO -0.11 -0.55 -0.14 0.54 -1.51 0.00 0.00 177.10 175.34 2ww3 s VAL 430 N -1.78 1.07 0.20 1.60 0.11 -1.26 -1.45 120.40 118.89 2ww3 s VAL 430 Ca -0.10 -1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 57.49 2ww3 s VAL 430 Cb -0.03 -1.01 -0.09 0.00 -1.53 0.00 0.00 36.38 33.72 2ww3 s VAL 430 CO 0.02 -0.15 1.33 -2.28 -3.33 0.00 0.00 175.10 170.70 2ww3 s HIS 431 N -1.11 3.22 0.28 1.54 2.46 0.44 -4.92 115.29 117.21 2ww3 s HIS 431 Ca -0.01 1.17 -0.01 0.00 0.47 0.00 0.00 55.06 56.68 2ww3 s HIS 431 Cb -0.09 -3.64 0.46 0.00 -0.13 0.00 0.00 32.58 29.18 2ww3 s HIS 431 CO 0.02 -2.03 1.89 -1.35 -2.47 0.00 0.00 174.74 170.80 2ww3 h PRO 432 N 5.46 1.09 0.00 2.88 0.11 -1.99 -3.26 132.00 136.28 2ww3 h PRO 432 Ca -0.45 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.37 2ww3 h PRO 432 Cb 1.21 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 2ww3 h PRO 432 CO 0.78 0.72 -2.16 0.39 -0.21 0.00 0.00 178.00 177.52 2ww3 n GLU 433 N -4.50 0.67 -3.91 1.05 -0.58 -1.26 -4.87 120.64 107.24 2ww3 n GLU 433 Ca 0.15 -0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.54 2ww3 n GLU 433 Cb 0.19 -1.55 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 2ww3 n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ww3 s VAL 434 N -2.86 2.02 -0.31 2.62 1.01 -1.23 -4.97 120.40 116.68 2ww3 s VAL 434 Ca -0.09 -2.49 0.25 0.00 0.00 0.00 0.00 61.98 59.65 2ww3 s VAL 434 Cb 0.09 -2.46 0.26 0.00 0.00 0.00 0.00 36.38 34.27 2ww3 s VAL 434 CO 0.85 -0.71 1.75 0.77 0.00 0.00 0.00 175.10 177.77 2ww3 h SER 435 N 7.26 0.00 0.04 3.32 4.64 -1.90 -0.96 113.55 125.96 2ww3 h SER 435 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2ww3 h SER 435 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2ww3 h SER 435 CO 0.55 0.00 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.95 2ww3 n SER 436 N -2.36 0.95 -4.52 4.97 3.41 -1.26 -3.84 113.62 110.97 2ww3 n SER 436 Ca 0.01 -1.23 -0.34 0.00 -0.26 0.00 0.00 58.87 57.05 2ww3 n SER 436 Cb 0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 2ww3 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww3 s THR 437 N -2.08 3.99 0.01 6.66 2.01 -0.36 -4.57 115.64 121.29 2ww3 s THR 437 Ca 0.39 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2ww3 s THR 437 Cb 0.21 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.97 2ww3 s THR 437 CO 0.37 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 2ww3 n GLY 438 N 3.47 -1.93 3.23 4.40 0.00 -1.26 -0.42 105.19 112.68 2ww3 n GLY 438 Ca -0.17 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2ww3 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 s ARG 439 N -0.14 3.03 0.24 1.61 0.52 -0.53 -4.83 118.95 118.86 2ww3 s ARG 439 Ca 0.00 -2.35 -0.31 0.00 -0.52 0.00 0.00 55.73 52.55 2ww3 s ARG 439 Cb 0.00 -4.10 -0.14 0.00 0.52 0.00 0.00 34.95 31.24 2ww3 s ARG 439 CO 0.00 -1.24 1.32 -0.11 0.02 0.00 0.00 175.30 175.29 2ww3 n LEU 440 N 4.00 2.78 -0.02 2.53 7.94 -1.25 -2.14 117.00 130.84 2ww3 n LEU 440 Ca 0.07 1.15 -0.00 0.00 -1.11 0.00 0.00 56.01 56.12 2ww3 n LEU 440 Cb 0.42 -1.39 -0.00 0.00 0.53 0.00 0.00 43.42 42.99 2ww3 n LEU 440 CO 0.36 -0.70 -0.00 0.61 -1.11 0.00 0.00 177.39 176.55 2ww3 n GLY 441 N 1.89 0.46 0.27 -3.96 0.00 -1.26 -4.94 105.19 97.64 2ww3 n GLY 441 Ca 0.11 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.69 2ww3 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww3 h TYR 442 N 0.00 0.35 0.24 1.61 -0.00 -1.78 -1.47 116.97 115.92 2ww3 h TYR 442 Ca -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 58.73 58.71 2ww3 h TYR 442 Cb 0.03 -0.11 -0.02 0.00 -0.00 0.00 0.00 36.73 36.63 2ww3 h TYR 442 CO 0.02 0.35 -0.27 0.93 -0.00 0.00 0.00 178.16 179.19 2ww3 h GLU 443 N 0.34 -0.54 0.15 0.10 3.07 -1.92 0.68 114.58 116.46 2ww3 h GLU 443 Ca 0.08 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2ww3 h GLU 443 Cb 0.22 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2ww3 h GLU 443 CO 0.00 -0.36 -0.14 1.88 -1.40 0.00 0.00 179.01 179.00 2ww3 h TYR 444 N -0.56 -0.36 -0.70 4.33 0.05 -1.83 -2.37 116.97 115.53 2ww3 h TYR 444 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2ww3 h TYR 444 Cb 0.53 0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 2ww3 h TYR 444 CO -0.19 -0.21 0.29 -0.92 -1.05 0.00 0.00 178.16 176.07 2ww3 h TYR 445 N -0.31 1.06 -0.32 4.88 3.20 -0.98 0.62 116.97 125.12 2ww3 h TYR 445 Ca 0.00 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2ww3 h TYR 445 Cb 0.29 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2ww3 h TYR 445 CO -0.12 0.81 -0.06 -0.91 -1.64 0.00 0.00 178.16 176.24 2ww3 h ASN 446 N 0.99 0.50 0.37 -2.11 -0.26 0.37 -1.63 115.58 113.82 2ww3 h ASN 446 Ca 0.23 -0.11 -0.32 0.00 -0.56 0.00 0.00 56.30 55.55 2ww3 h ASN 446 Cb 0.20 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.28 2ww3 h ASN 446 CO -0.02 0.62 -1.80 1.17 -1.06 0.00 0.00 177.43 176.33 2ww3 n LYS 447 N -4.24 0.67 -0.00 0.81 4.81 -0.82 -4.54 118.16 114.85 2ww3 n LYS 447 Ca 0.01 0.29 0.07 0.00 -0.87 0.00 0.00 58.31 57.81 2ww3 n LYS 447 Cb 0.29 -1.77 -0.10 0.00 0.02 0.00 0.00 35.03 33.47 2ww3 n LYS 447 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ww3 n LEU 448 N -3.18 0.23 0.00 3.14 4.77 0.21 -4.99 117.00 117.18 2ww3 n LEU 448 Ca -0.22 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2ww3 n LEU 448 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2ww3 n LEU 448 CO 0.44 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2ww3 n GLY 449 N 1.57 0.75 3.48 -0.72 0.00 -0.61 -5.03 105.19 104.62 2ww3 n GLY 449 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ww3 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww3 s TYR 450 N -2.70 -0.41 -0.07 1.61 1.13 -1.24 -4.78 117.35 110.89 2ww3 s TYR 450 Ca 0.00 0.24 -0.27 0.00 -1.41 0.00 0.00 57.07 55.63 2ww3 s TYR 450 Cb 0.00 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 2ww3 s TYR 450 CO 0.00 -0.67 0.88 0.08 -2.51 0.00 0.00 175.55 173.34 2ww3 s VAL 451 N -3.35 4.90 0.73 -3.49 1.01 -1.26 -3.15 120.40 115.79 2ww3 s VAL 451 Ca 0.04 1.81 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 2ww3 s VAL 451 Cb -0.01 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.19 2ww3 s VAL 451 CO -0.10 0.13 1.08 -2.84 0.00 0.00 0.00 175.10 173.38 2ww3 s PRO 452 N 1.33 2.62 0.04 2.72 0.02 -1.26 -4.55 135.00 135.92 2ww3 s PRO 452 Ca 0.45 0.65 0.23 0.00 0.02 0.00 0.00 61.00 62.35 2ww3 s PRO 452 Cb -0.19 -1.98 0.15 0.00 0.02 0.00 0.00 34.50 32.50 2ww3 s PRO 452 CO 0.21 -1.24 1.13 0.98 -0.33 0.00 0.00 177.00 177.74 2ww3 n TYR 453 N -3.18 0.20 -1.71 6.54 4.19 -0.23 -4.17 117.16 118.80 2ww3 n TYR 453 Ca 0.07 0.06 0.01 0.00 3.31 0.00 0.00 57.90 61.35 2ww3 n TYR 453 Cb 0.56 -0.37 0.17 0.00 0.49 0.00 0.00 39.34 40.19 2ww3 n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2ww3 n ASP 454 N -1.82 2.22 -0.52 2.98 5.75 -1.26 -4.69 116.55 119.21 2ww3 n ASP 454 Ca 0.03 -3.81 0.07 0.00 -0.01 0.00 0.00 54.79 51.07 2ww3 n ASP 454 Cb 0.40 -0.49 0.17 0.00 -1.03 0.00 0.00 41.12 40.17 2ww3 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww3 n VAL 455 N -1.00 1.92 -1.52 2.12 0.24 -1.26 -4.90 118.33 113.93 2ww3 n VAL 455 Ca 0.23 -2.76 -0.09 0.00 -2.04 0.00 0.00 64.34 59.68 2ww3 n VAL 455 Cb 0.75 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 2ww3 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww3 n LYS 456 N -1.06 -0.67 -3.95 7.34 4.01 -1.26 -4.98 118.16 117.58 2ww3 n LYS 456 Ca 0.17 0.72 -0.32 0.00 -0.51 0.00 0.00 58.31 58.37 2ww3 n LYS 456 Cb 0.71 -4.65 -0.14 0.00 -0.51 0.00 0.00 35.03 30.44 2ww3 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ww3 s ILE 457 N -2.38 2.56 0.72 -0.18 1.01 -1.26 -5.11 121.20 116.57 2ww3 s ILE 457 Ca 0.00 -2.50 -0.14 0.00 0.00 0.00 0.00 60.65 58.01 2ww3 s ILE 457 Cb 0.00 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.67 2ww3 s ILE 457 CO 0.00 -0.66 1.14 0.20 0.00 0.00 0.00 174.94 175.62 2ww3 s ASN 458 N 0.83 4.55 -1.45 3.58 0.01 -1.26 -3.06 114.94 118.14 2ww3 s ASN 458 Ca 0.12 2.10 -0.07 0.00 -0.71 0.00 0.00 52.86 54.30 2ww3 s ASN 458 Cb -0.21 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 38.92 2ww3 s ASN 458 CO -0.06 -2.01 0.58 -0.62 -1.51 0.00 0.00 177.10 173.48 2ww3 n GLU 459 N -2.83 -4.44 -0.25 -0.60 1.02 0.40 -4.87 120.64 109.07 2ww3 n GLU 459 Ca 0.11 0.74 -0.06 0.00 -0.02 0.00 0.00 57.16 57.93 2ww3 n GLU 459 Cb 0.52 -5.56 0.07 0.00 -0.02 0.00 0.00 31.44 26.45 2ww3 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww3 h ASN 460 N -1.28 1.06 -0.27 1.62 -1.07 -1.45 -1.79 115.58 112.40 2ww3 h ASN 460 Ca -0.49 -0.21 -0.08 0.00 0.07 0.00 0.00 56.30 55.59 2ww3 h ASN 460 Cb 1.34 -0.28 -0.01 0.00 -2.07 0.00 0.00 38.32 37.30 2ww3 h ASN 460 CO 0.56 0.99 -0.15 0.00 0.07 0.00 0.00 177.43 178.90 2ww3 h ALA 461 N 1.14 0.38 -0.30 4.14 0.00 -1.27 -2.03 119.26 121.32 2ww3 h ALA 461 Ca 0.23 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ww3 h ALA 461 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2ww3 h ALA 461 CO -0.00 0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.65 2ww3 h ALA 462 N 0.73 0.36 -0.54 0.00 0.00 -1.08 -1.81 119.26 116.92 2ww3 h ALA 462 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2ww3 h ALA 462 Cb 0.67 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2ww3 h ALA 462 CO 0.04 -0.26 0.32 0.00 0.00 0.00 0.00 179.25 179.36 2ww3 h ARG 463 N 0.29 0.61 -0.11 0.00 3.08 -1.31 -2.31 114.38 114.62 2ww3 h ARG 463 Ca 0.13 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.18 2ww3 h ARG 463 Cb 0.06 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 2ww3 h ARG 463 CO -0.10 0.41 -0.16 1.15 -1.07 0.00 0.00 179.97 180.19 2ww3 h THR 464 N 0.63 0.58 -0.51 2.04 2.02 -0.59 0.47 112.91 117.55 2ww3 h THR 464 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.42 2ww3 h THR 464 Cb 0.04 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2ww3 h THR 464 CO -0.11 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.02 2ww3 h LEU 465 N -0.21 0.50 -0.40 2.58 3.38 -1.14 -0.46 115.31 119.56 2ww3 h LEU 465 Ca 0.09 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2ww3 h LEU 465 Cb 0.34 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2ww3 h LEU 465 CO -0.24 0.36 -0.71 -0.33 0.09 0.00 0.00 178.44 177.61 2ww3 h GLU 466 N 0.61 0.00 -0.58 1.13 5.08 -0.97 -2.44 114.58 117.42 2ww3 h GLU 466 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2ww3 h GLU 466 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2ww3 h GLU 466 CO -0.09 0.71 0.32 1.88 -1.00 0.00 0.00 179.01 180.84 2ww3 h TYR 467 N 0.00 0.79 0.38 4.33 0.05 0.32 0.14 116.97 122.99 2ww3 h TYR 467 Ca -0.01 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2ww3 h TYR 467 Cb 1.36 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 2ww3 h TYR 467 CO 0.00 0.57 -0.28 0.00 -1.05 0.00 0.00 178.16 177.40 2ww3 h ALA 468 N 1.15 -0.66 -0.96 3.88 0.00 -0.75 0.34 119.26 122.25 2ww3 h ALA 468 Ca 0.21 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2ww3 h ALA 468 Cb 0.04 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2ww3 h ALA 468 CO -0.03 -0.89 0.62 -0.92 0.00 0.00 0.00 179.25 178.03 2ww3 h TYR 469 N -0.66 1.11 -0.83 0.00 3.20 -1.33 -0.53 116.97 117.93 2ww3 h TYR 469 Ca -0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2ww3 h TYR 469 Cb 0.56 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 2ww3 h TYR 469 CO -0.13 0.52 0.42 -0.44 -1.64 0.00 0.00 178.16 176.89 2ww3 h ASP 470 N 1.04 1.06 -0.14 -2.11 3.32 0.10 -1.36 116.42 118.33 2ww3 h ASP 470 Ca 0.44 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 2ww3 h ASP 470 Cb 0.32 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2ww3 h ASP 470 CO -0.19 0.88 -0.23 0.44 -1.72 0.00 0.00 179.24 178.41 2ww3 h ASP 471 N 1.17 0.58 -0.23 6.45 3.32 0.11 -2.08 116.42 125.74 2ww3 h ASP 471 Ca 0.29 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2ww3 h ASP 471 Cb 0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2ww3 h ASP 471 CO -0.04 0.81 0.13 -0.25 -1.72 0.00 0.00 179.24 178.17 2ww3 h TRP 472 N 0.51 0.32 -0.42 4.55 7.01 -0.36 0.08 115.95 127.64 2ww3 h TRP 472 Ca 0.08 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.16 2ww3 h TRP 472 Cb 0.68 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 2ww3 h TRP 472 CO 0.03 0.27 -0.12 0.00 -2.79 0.00 0.00 178.44 175.83 2ww3 h ILE 474 N -0.01 1.20 -0.84 0.00 2.04 -0.99 -0.39 117.51 118.51 2ww3 h ILE 474 Ca 0.20 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.62 2ww3 h ILE 474 Cb 0.32 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 2ww3 h ILE 474 CO -0.44 0.22 0.53 0.22 0.00 0.00 0.00 178.15 178.68 2ww3 h TYR 475 N 0.94 0.99 -0.14 1.37 5.03 0.12 0.16 116.97 125.44 2ww3 h TYR 475 Ca 0.24 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 2ww3 h TYR 475 Cb 0.01 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 37.96 2ww3 h TYR 475 CO 0.01 0.53 0.07 0.00 -1.32 0.00 0.00 178.16 177.45 2ww3 h ARG 476 N 1.00 0.20 -0.42 1.82 2.47 0.41 -0.51 114.38 119.35 2ww3 h ARG 476 Ca 0.35 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.93 2ww3 h ARG 476 Cb 0.09 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2ww3 h ARG 476 CO -0.14 0.26 -0.17 1.25 0.56 0.00 0.00 179.97 181.73 2ww3 h LEU 477 N 0.10 0.88 -0.71 3.04 5.85 -1.26 -1.15 115.31 122.06 2ww3 h LEU 477 Ca 0.05 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2ww3 h LEU 477 Cb 0.13 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2ww3 h LEU 477 CO -0.01 1.08 0.42 0.00 -0.34 0.00 0.00 178.44 179.59 2ww3 h ALA 478 N 0.84 0.96 -0.10 1.25 0.00 -0.45 0.70 119.26 122.46 2ww3 h ALA 478 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2ww3 h ALA 478 Cb 0.73 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ww3 h ALA 478 CO 0.06 0.12 -0.02 -0.22 0.00 0.00 0.00 179.25 179.18 2ww3 h LYS 479 N 0.77 0.19 -0.75 0.00 3.64 -0.98 -1.85 116.57 117.59 2ww3 h LYS 479 Ca 0.31 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 2ww3 h LYS 479 Cb 0.16 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 2ww3 h LYS 479 CO -0.17 0.50 0.49 1.49 -2.27 0.00 0.00 179.45 179.49 2ww3 h GLU 480 N -0.14 0.72 -0.51 1.90 4.57 -0.96 -0.47 114.58 119.70 2ww3 h GLU 480 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2ww3 h GLU 480 Cb 0.43 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2ww3 h GLU 480 CO 0.01 0.48 0.00 1.28 -1.18 0.00 0.00 179.01 179.60 2ww3 n LEU 481 N -4.49 1.72 -3.74 1.64 4.32 0.22 -4.92 117.00 111.75 2ww3 n LEU 481 Ca 0.11 -0.87 -0.30 0.00 -0.02 0.00 0.00 56.01 54.94 2ww3 n LEU 481 Cb 0.26 -0.33 0.02 0.00 -1.62 0.00 0.00 43.42 41.75 2ww3 n LEU 481 CO 0.33 0.33 -0.10 2.29 -1.22 0.00 0.00 177.39 179.02 2ww3 n LYS 482 N 0.17 -1.07 -2.31 3.23 0.00 -0.18 -4.96 118.16 113.04 2ww3 n LYS 482 Ca 0.08 0.56 -0.26 0.00 -0.00 0.00 0.00 58.31 58.69 2ww3 n LYS 482 Cb 0.34 -3.38 0.11 0.00 -0.00 0.00 0.00 35.03 32.10 2ww3 n LYS 482 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2ww3 s ARG 483 N -5.72 1.64 0.34 -1.58 1.81 -0.71 -5.03 118.95 109.69 2ww3 s ARG 483 Ca 0.29 -0.65 -0.29 0.00 -1.72 0.00 0.00 55.73 53.37 2ww3 s ARG 483 Cb -0.13 -2.17 -0.11 0.00 -0.45 0.00 0.00 34.95 32.09 2ww3 s ARG 483 CO 0.89 -1.58 1.55 -2.30 -0.68 0.00 0.00 175.30 173.18 2ww3 n PRO 484 N -3.06 2.70 -0.33 3.54 -0.02 -1.26 -4.84 135.00 131.73 2ww3 n PRO 484 Ca 0.12 0.95 0.19 0.00 -2.02 0.00 0.00 63.50 62.75 2ww3 n PRO 484 Cb 0.60 -2.72 0.44 0.00 -0.02 0.00 0.00 33.50 31.81 2ww3 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww3 h LYS 485 N 3.88 0.51 -0.77 -0.52 -0.00 -1.99 -1.20 116.57 116.47 2ww3 h LYS 485 Ca -0.49 -0.03 0.01 0.00 -0.00 0.00 0.00 60.65 60.14 2ww3 h LYS 485 Cb 1.23 -0.11 -0.04 0.00 -0.00 0.00 0.00 32.23 33.31 2ww3 h LYS 485 CO 0.72 0.33 0.50 -0.22 -0.00 0.00 0.00 179.45 180.79 2ww3 h LYS 486 N 0.52 1.02 -0.18 0.07 3.64 -1.99 0.09 116.57 119.74 2ww3 h LYS 486 Ca 0.59 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.75 2ww3 h LYS 486 Cb 1.27 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2ww3 h LYS 486 CO -0.34 0.68 -0.49 0.93 -2.27 0.00 0.00 179.45 177.96 2ww3 h GLU 487 N 1.05 0.64 -0.53 1.90 5.08 -1.61 -1.97 114.58 119.14 2ww3 h GLU 487 Ca 0.28 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2ww3 h GLU 487 Cb -0.11 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2ww3 h GLU 487 CO -0.06 1.08 0.35 0.82 -1.00 0.00 0.00 179.01 180.19 2ww3 h ILE 488 N 0.32 1.12 -0.94 3.13 2.04 -1.24 -2.71 117.51 119.24 2ww3 h ILE 488 Ca -0.01 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2ww3 h ILE 488 Cb 1.11 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2ww3 h ILE 488 CO 0.11 0.13 0.56 0.28 0.00 0.00 0.00 178.15 179.22 2ww3 h SER 489 N 0.70 1.13 -0.38 1.72 0.02 -1.00 -1.57 113.55 114.18 2ww3 h SER 489 Ca 0.20 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ww3 h SER 489 Cb -0.06 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 2ww3 h SER 489 CO -0.05 0.88 0.21 0.25 -1.14 0.00 0.00 176.83 176.97 2ww3 h LEU 490 N 1.30 0.33 -0.01 5.07 5.85 -1.09 -1.32 115.31 125.44 2ww3 h LEU 490 Ca 0.34 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.84 2ww3 h LEU 490 Cb -0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2ww3 h LEU 490 CO -0.06 0.24 -1.06 -0.26 -0.34 0.00 0.00 178.44 176.96 2ww3 h PHE 491 N 0.43 0.21 -0.94 1.25 0.04 -1.35 -1.91 116.94 114.66 2ww3 h PHE 491 Ca 0.16 -0.15 0.06 0.00 2.80 0.00 0.00 57.97 60.84 2ww3 h PHE 491 Cb 0.03 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 2ww3 h PHE 491 CO -0.08 1.08 0.60 0.00 -0.60 0.00 0.00 178.31 179.31 2ww3 h ALA 492 N 0.86 1.30 0.49 2.45 0.00 -1.21 0.32 119.26 123.47 2ww3 h ALA 492 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ww3 h ALA 492 Cb 1.79 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ww3 h ALA 492 CO 0.15 0.38 -0.23 -0.22 0.00 0.00 0.00 179.25 179.33 2ww3 h LYS 493 N 1.10 -0.63 0.00 0.00 3.64 -1.00 -3.12 116.57 116.56 2ww3 h LYS 493 Ca 0.41 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2ww3 h LYS 493 Cb 0.16 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2ww3 h LYS 493 CO -0.17 -0.36 -0.02 0.00 -2.27 0.00 0.00 179.45 176.63 2ww3 h ARG 494 N -0.80 0.00 -0.18 1.90 3.08 -1.12 0.01 114.38 117.27 2ww3 h ARG 494 Ca -0.07 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.03 2ww3 h ARG 494 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2ww3 h ARG 494 CO 0.11 0.02 0.18 0.00 -1.07 0.00 0.00 179.97 179.20 2ww3 h ALA 495 N 1.98 1.87 -0.42 0.04 0.00 -0.87 -1.11 119.26 120.76 2ww3 h ALA 495 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ww3 h ALA 495 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ww3 h ALA 495 CO 0.00 -0.27 0.00 -1.33 0.00 0.00 0.00 179.25 177.65 2ww3 n MET 496 N -3.95 2.24 0.23 0.00 2.81 -0.01 -4.34 117.12 114.10 2ww3 n MET 496 Ca 0.01 -1.90 0.15 0.00 -1.81 0.00 0.00 57.70 54.16 2ww3 n MET 496 Cb 0.30 -1.45 0.82 0.00 -0.71 0.00 0.00 33.22 32.18 2ww3 n MET 496 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2ww3 h ASN 497 N 3.43 0.00 0.90 7.83 2.35 -1.26 -1.66 115.58 127.17 2ww3 h ASN 497 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ww3 h ASN 497 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2ww3 h ASN 497 CO 0.00 0.00 0.00 0.10 -1.65 0.00 0.00 177.43 175.88 2ww3 h TYR 498 N 0.00 0.00 0.00 1.19 -0.00 -1.81 -1.97 116.97 114.38 2ww3 h TYR 498 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2ww3 h TYR 498 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.73 2ww3 h TYR 498 CO 0.00 0.00 -0.19 0.87 -0.00 0.00 0.00 178.16 178.84 2ww3 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.65 -2.91 116.57 113.68 2ww3 h LYS 499 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ww3 h LYS 499 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2ww3 h LYS 499 CO 0.00 0.19 0.00 -0.91 -0.57 0.00 0.00 179.45 178.16 2ww3 h ASN 500 N 0.00 0.00 -0.20 0.86 2.35 -1.55 -2.63 115.58 114.41 2ww3 h ASN 500 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ww3 h ASN 500 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2ww3 h ASN 500 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 2ww3 n LEU 501 N -2.56 2.45 -4.64 1.61 4.77 -1.10 -4.97 117.00 112.57 2ww3 n LEU 501 Ca -0.00 -1.68 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 2ww3 n LEU 501 Cb 0.16 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2ww3 n LEU 501 CO 0.18 0.58 0.61 0.12 -1.33 0.00 0.00 177.39 177.55 2ww3 s PHE 502 N -0.93 3.29 -0.45 -1.77 5.36 -0.99 -0.88 117.98 121.60 2ww3 s PHE 502 Ca 0.17 1.04 -0.17 0.00 -0.96 0.00 0.00 56.93 57.01 2ww3 s PHE 502 Cb 0.09 -3.05 0.04 0.00 -0.34 0.00 0.00 43.02 39.76 2ww3 s PHE 502 CO 0.13 -0.42 0.47 0.34 -1.46 0.00 0.00 175.22 174.28 2ww3 s ASP 503 N 1.40 6.19 0.37 6.13 2.15 -0.50 -4.95 116.67 127.47 2ww3 s ASP 503 Ca 0.33 -0.86 0.08 0.00 0.43 0.00 0.00 52.55 52.53 2ww3 s ASP 503 Cb -0.15 -2.23 0.80 0.00 -0.30 0.00 0.00 42.92 41.03 2ww3 s ASP 503 CO 0.08 -0.67 1.95 0.11 -0.17 0.00 0.00 175.17 176.47 2ww3 h LYS 504 N 8.80 0.67 -0.06 4.34 1.57 -1.93 0.88 116.57 130.84 2ww3 h LYS 504 Ca -0.27 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2ww3 h LYS 504 Cb 1.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2ww3 h LYS 504 CO 0.85 0.45 0.01 1.49 -0.57 0.00 0.00 179.45 181.67 2ww3 h GLU 505 N 0.69 0.03 0.00 3.15 4.81 -1.95 -3.12 114.58 118.20 2ww3 h GLU 505 Ca 0.33 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2ww3 h GLU 505 Cb 0.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2ww3 h GLU 505 CO -0.11 0.02 -1.04 -1.13 -0.73 0.00 0.00 179.01 176.02 2ww3 n SER 506 N -5.09 0.70 -1.66 1.04 3.41 -1.07 -4.97 113.62 105.98 2ww3 n SER 506 Ca -0.06 -0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 57.86 2ww3 n SER 506 Cb 0.05 0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 64.92 2ww3 n SER 506 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ww3 n LYS 507 N -1.72 -1.16 -4.26 4.33 5.02 0.28 -5.02 118.16 115.63 2ww3 n LYS 507 Ca 0.03 0.71 -0.14 0.00 -2.02 0.00 0.00 58.31 56.89 2ww3 n LYS 507 Cb 0.39 -5.02 -0.10 0.00 -0.02 0.00 0.00 35.03 30.28 2ww3 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww3 s LEU 508 N -4.19 2.12 0.43 -0.35 1.43 -1.21 -4.97 118.68 111.94 2ww3 s LEU 508 Ca 0.00 -1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 51.70 2ww3 s LEU 508 Cb 0.00 -0.10 -0.10 0.00 0.03 0.00 0.00 46.19 46.02 2ww3 s LEU 508 CO 0.00 -0.56 1.00 -0.04 0.23 0.00 0.00 176.35 176.98 2ww3 s MET 509 N -3.90 4.12 -0.18 1.70 -1.94 -1.26 -1.41 119.30 116.43 2ww3 s MET 509 Ca 0.25 1.29 -0.16 0.00 -1.71 0.00 0.00 55.69 55.36 2ww3 s MET 509 Cb 0.06 -2.29 0.05 0.00 2.01 0.00 0.00 34.83 34.66 2ww3 s MET 509 CO 0.05 -0.15 0.47 0.50 -0.01 0.00 0.00 175.02 175.89 2ww3 s ARG 510 N -2.95 0.55 0.38 2.03 3.52 -0.06 -4.83 118.95 117.59 2ww3 s ARG 510 Ca 0.62 0.67 -0.25 0.00 -0.13 0.00 0.00 55.73 56.63 2ww3 s ARG 510 Cb -0.15 0.26 -0.12 0.00 -1.56 0.00 0.00 34.95 33.39 2ww3 s ARG 510 CO 0.19 -0.07 0.93 0.41 -0.81 0.00 0.00 175.30 175.95 2ww3 n GLY 511 N 2.87 -0.46 2.95 8.12 0.00 -1.26 -4.80 105.19 112.61 2ww3 n GLY 511 Ca -0.14 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2ww3 n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ww3 s ARG 512 N -1.80 1.83 0.79 1.61 3.52 -1.26 -0.93 118.95 122.71 2ww3 s ARG 512 Ca 0.62 -0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 55.67 2ww3 s ARG 512 Cb -0.61 -1.85 0.06 0.00 -1.56 0.00 0.00 34.95 30.99 2ww3 s ARG 512 CO 0.58 -0.27 1.09 0.09 -0.81 0.00 0.00 175.30 175.98 2ww3 n ASN 513 N 4.86 0.71 0.18 -2.12 3.02 -0.12 -1.07 115.26 120.73 2ww3 n ASN 513 Ca -0.14 0.60 0.17 0.00 -0.03 0.00 0.00 54.58 55.18 2ww3 n ASN 513 Cb 0.50 -1.46 0.80 0.00 -0.61 0.00 0.00 39.78 39.00 2ww3 n ASN 513 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ww3 h GLU 514 N -0.75 0.00 -0.16 3.52 4.81 -1.90 -0.85 114.58 119.25 2ww3 h GLU 514 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2ww3 h GLU 514 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2ww3 h GLU 514 CO 0.46 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.34 2ww3 n ASP 515 N -3.89 1.29 0.00 1.04 5.68 -1.26 -4.90 116.55 114.50 2ww3 n ASP 515 Ca 0.03 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 2ww3 n ASP 515 Cb 0.36 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2ww3 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww3 n GLY 516 N 1.01 0.46 3.80 6.12 0.00 -0.32 -5.07 105.19 111.20 2ww3 n GLY 516 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2ww3 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 517 N -2.17 4.50 0.50 2.61 -4.23 -1.26 -4.87 115.64 110.72 2ww3 s THR 517 Ca 0.00 1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 61.74 2ww3 s THR 517 Cb 0.00 -3.97 -0.06 0.00 1.34 0.00 0.00 72.50 69.80 2ww3 s THR 517 CO 0.00 0.36 1.23 -0.36 -0.54 0.00 0.00 174.62 175.31 2ww3 s PHE 518 N -1.34 2.65 0.24 3.99 0.08 -1.26 -0.95 117.98 121.39 2ww3 s PHE 518 Ca 0.39 1.48 -0.30 0.00 0.12 0.00 0.00 56.93 58.63 2ww3 s PHE 518 Cb -0.19 -3.52 -0.09 0.00 -0.57 0.00 0.00 43.02 38.65 2ww3 s PHE 518 CO 0.23 -2.00 1.26 1.14 -0.10 0.00 0.00 175.22 175.74 2ww3 s GLN 519 N -2.83 4.44 0.06 0.44 1.03 -0.11 -4.74 119.66 117.95 2ww3 s GLN 519 Ca 0.67 2.02 0.05 0.00 0.04 0.00 0.00 55.36 58.15 2ww3 s GLN 519 Cb -0.32 -3.17 -0.03 0.00 0.03 0.00 0.00 33.01 29.52 2ww3 s GLN 519 CO 0.38 -0.14 -0.15 -1.12 -2.54 0.00 0.00 175.29 171.73 2ww3 s SER 520 N -0.07 1.80 0.35 12.60 0.01 -1.26 -3.99 113.70 123.15 2ww3 s SER 520 Ca 0.52 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 2ww3 s SER 520 Cb -0.36 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 65.68 2ww3 s SER 520 CO 0.42 0.01 0.84 -2.16 0.41 0.00 0.00 173.24 172.76 2ww3 s PRO 521 N -1.41 4.19 -0.21 12.44 0.04 -1.26 -5.15 135.00 143.64 2ww3 s PRO 521 Ca 0.01 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 2ww3 s PRO 521 Cb -0.09 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2ww3 s PRO 521 CO 0.02 0.12 0.25 0.12 0.04 0.00 0.00 177.00 177.55 2ww3 s PHE 522 N -1.97 3.37 -0.13 0.56 5.36 -1.26 -5.08 117.98 118.84 2ww3 s PHE 522 Ca 0.56 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.96 2ww3 s PHE 522 Cb -0.11 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.24 2ww3 s PHE 522 CO 0.17 0.10 -0.16 0.45 -1.46 0.00 0.00 175.22 174.32 2ww3 s SER 523 N 0.86 2.64 0.43 6.13 0.15 -1.26 -4.98 113.70 117.68 2ww3 s SER 523 Ca 0.13 -0.48 0.30 0.00 0.70 0.00 0.00 55.95 56.60 2ww3 s SER 523 Cb -0.13 -1.19 1.39 0.00 -1.71 0.00 0.00 66.02 64.38 2ww3 s SER 523 CO 0.05 0.01 1.91 1.55 1.20 0.00 0.00 173.24 177.95 2ww3 h PRO 524 N 7.57 0.00 -0.00 5.44 0.13 -1.97 -2.18 132.00 140.99 2ww3 h PRO 524 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2ww3 h PRO 524 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ww3 h PRO 524 CO 0.52 0.00 -0.27 1.28 -0.23 0.00 0.00 178.00 179.29 2ww3 n LEU 525 N -2.66 0.50 -4.68 1.56 4.77 -1.26 -2.59 117.00 112.64 2ww3 n LEU 525 Ca 0.00 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2ww3 n LEU 525 Cb 0.19 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2ww3 n LEU 525 CO 0.21 0.11 0.83 -0.75 -1.33 0.00 0.00 177.39 176.45 2ww3 s LYS 526 N -2.78 4.39 0.41 3.23 2.20 -0.82 -3.00 119.74 123.37 2ww3 s LYS 526 Ca 0.18 1.42 -0.12 0.00 -0.36 0.00 0.00 55.97 57.10 2ww3 s LYS 526 Cb 0.19 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.88 2ww3 s LYS 526 CO 0.58 -0.38 0.80 -1.58 -0.36 0.00 0.00 175.35 174.41 2ww3 s TRP 527 N 2.24 3.46 0.00 4.03 0.52 -0.87 -4.33 118.94 123.98 2ww3 s TRP 527 Ca 0.49 1.12 0.00 0.00 0.02 0.00 0.00 56.10 57.73 2ww3 s TRP 527 Cb -0.19 -2.50 0.00 0.00 -1.15 0.00 0.00 33.47 29.63 2ww3 s TRP 527 CO 0.17 -0.13 0.00 0.41 0.02 0.00 0.00 176.95 177.42 2ww3 n GLY 528 N -1.25 0.92 5.88 0.98 0.00 0.00 -4.52 105.19 107.20 2ww3 n GLY 528 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2ww3 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww3 n ASP 529 N -2.17 0.00 0.14 1.61 2.03 -1.26 -0.97 116.55 115.94 2ww3 n ASP 529 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2ww3 n ASP 529 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 2ww3 n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ww3 h ALA 530 N -0.68 0.71 -1.37 -1.67 0.00 -1.92 1.15 119.26 115.48 2ww3 h ALA 530 Ca 0.00 -0.50 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 2ww3 h ALA 530 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2ww3 h ALA 530 CO 0.00 0.68 -0.50 -0.06 0.00 0.00 0.00 179.25 179.37 2ww3 s PHE 531 N -3.10 2.41 -0.10 0.00 0.08 -0.14 -0.92 117.98 116.21 2ww3 s PHE 531 Ca 0.02 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.42 2ww3 s PHE 531 Cb 0.09 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2ww3 s PHE 531 CO 0.74 0.18 -0.12 0.99 -0.10 0.00 0.00 175.22 176.90 2ww3 s THR 532 N -2.67 3.17 -1.05 0.64 2.01 -1.26 -3.93 115.64 112.55 2ww3 s THR 532 Ca 0.35 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2ww3 s THR 532 Cb 0.04 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.25 2ww3 s THR 532 CO 0.19 0.55 0.00 -0.62 -0.69 0.00 0.00 174.62 174.06 2ww3 n GLU 533 N 2.96 -1.81 -3.06 4.92 -0.58 -1.26 -4.75 120.64 117.05 2ww3 n GLU 533 Ca -0.18 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 2ww3 n GLU 533 Cb 0.53 -5.00 0.00 0.00 -0.57 0.00 0.00 31.44 26.39 2ww3 n GLU 533 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ww3 n GLY 534 N -0.51 -0.88 0.00 0.62 0.00 -1.26 -4.92 105.19 98.25 2ww3 n GLY 534 Ca -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2ww3 n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ww3 n ASN 535 N 0.09 1.93 -0.23 1.61 0.23 -1.26 -0.82 115.26 116.81 2ww3 n ASN 535 Ca 0.00 -0.61 -0.08 0.00 -0.53 0.00 0.00 54.58 53.35 2ww3 n ASN 535 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 2ww3 n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2ww3 h SER 536 N 0.00 1.04 -0.26 0.53 0.87 -1.69 -2.17 113.55 111.86 2ww3 h SER 536 Ca 0.00 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.36 2ww3 h SER 536 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 2ww3 h SER 536 CO 0.00 1.05 0.20 -0.50 -0.53 0.00 0.00 176.83 177.06 2ww3 h TRP 537 N 0.99 0.00 0.17 2.24 4.06 -1.92 -1.58 115.95 119.91 2ww3 h TRP 537 Ca 0.19 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.79 2ww3 h TRP 537 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2ww3 h TRP 537 CO 0.03 0.00 -1.78 0.45 -3.56 0.00 0.00 178.44 173.59 2ww3 h HIS 538 N 0.00 0.65 0.00 0.49 3.86 -1.79 -3.40 115.15 114.97 2ww3 h HIS 538 Ca 0.12 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2ww3 h HIS 538 Cb 0.53 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2ww3 h HIS 538 CO 0.00 1.70 -0.72 1.88 0.86 0.00 0.00 177.93 181.64 2ww3 h TYR 539 N 0.06 0.00 -0.37 2.45 -1.99 -1.19 -3.36 116.97 112.58 2ww3 h TYR 539 Ca -0.36 0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.48 2ww3 h TYR 539 Cb 2.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.77 2ww3 h TYR 539 CO 0.10 0.00 0.29 1.15 -0.00 0.00 0.00 178.16 179.70 2ww3 h THR 540 N 0.00 0.69 -0.00 -2.88 2.02 -1.50 -1.22 112.91 110.01 2ww3 h THR 540 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ww3 h THR 540 Cb 0.83 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2ww3 h THR 540 CO 0.00 0.00 -0.05 0.79 0.37 0.00 0.00 175.52 176.63 2ww3 n TRP 541 N -4.22 0.00 -0.73 3.16 7.02 -1.26 -4.54 117.44 116.86 2ww3 n TRP 541 Ca 0.06 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.33 2ww3 n TRP 541 Cb 0.47 -0.23 -0.02 0.00 -2.42 0.00 0.00 31.31 29.11 2ww3 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww3 n SER 542 N -1.14 4.86 -3.18 -0.99 7.64 -0.46 -4.44 113.62 115.90 2ww3 n SER 542 Ca 0.15 -2.30 -0.26 0.00 1.01 0.00 0.00 58.87 57.47 2ww3 n SER 542 Cb 0.25 -1.08 -0.06 0.00 -1.01 0.00 0.00 64.21 62.31 2ww3 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww3 n VAL 543 N 4.07 1.99 -0.20 0.44 0.31 -1.26 -4.76 118.33 118.92 2ww3 n VAL 543 Ca 0.43 -5.15 -0.06 0.00 -0.01 0.00 0.00 64.34 59.56 2ww3 n VAL 543 Cb 0.16 -1.60 0.04 0.00 -0.91 0.00 0.00 33.84 31.53 2ww3 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww3 h PHE 544 N 3.56 0.68 -0.00 3.52 -1.00 -1.89 -2.39 116.94 119.43 2ww3 h PHE 544 Ca 0.15 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.94 2ww3 h PHE 544 Cb 0.66 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2ww3 h PHE 544 CO 0.69 0.41 -0.03 -2.39 -1.61 0.00 0.00 178.31 175.38 2ww3 n HIS 545 N -4.72 0.00 -2.89 -0.55 1.44 -1.26 -4.35 115.22 102.89 2ww3 n HIS 545 Ca 0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.63 2ww3 n HIS 545 Cb 0.05 -0.19 0.05 0.00 0.12 0.00 0.00 29.99 30.02 2ww3 n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2ww3 n ASP 546 N -1.09 -1.32 -0.04 4.39 -0.08 -0.91 0.26 116.55 117.76 2ww3 n ASP 546 Ca 0.17 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.01 2ww3 n ASP 546 Cb 0.23 1.06 0.30 0.00 2.34 0.00 0.00 41.12 45.05 2ww3 n ASP 546 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ww3 h PRO 547 N 3.09 0.61 -0.95 -0.67 0.11 -1.73 -2.03 132.00 130.43 2ww3 h PRO 547 Ca -0.04 -0.10 0.10 0.00 0.11 0.00 0.00 66.00 66.07 2ww3 h PRO 547 Cb 1.05 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 31.98 2ww3 h PRO 547 CO 0.27 0.56 0.59 0.37 -0.21 0.00 0.00 178.00 179.57 2ww3 h GLN 548 N 0.60 0.96 -0.81 1.05 5.75 -1.91 0.98 115.11 121.73 2ww3 h GLN 548 Ca 0.14 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2ww3 h GLN 548 Cb 0.22 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2ww3 h GLN 548 CO -0.00 0.64 0.48 0.78 -2.65 0.00 0.00 178.83 178.08 2ww3 h GLY 549 N 0.99 1.18 1.01 2.39 0.00 -1.78 0.52 103.07 107.38 2ww3 h GLY 549 Ca 0.45 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2ww3 h GLY 549 CO -0.23 0.48 -0.09 -2.00 0.00 0.00 0.00 176.54 174.70 2ww3 h LEU 550 N 1.12 0.85 -0.87 3.11 5.85 -0.91 0.51 115.31 124.97 2ww3 h LEU 550 Ca 0.29 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2ww3 h LEU 550 Cb -0.04 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2ww3 h LEU 550 CO -0.05 1.01 0.45 0.40 -0.34 0.00 0.00 178.44 179.90 2ww3 h ILE 551 N 0.68 1.26 -0.10 4.05 2.04 0.10 -1.29 117.51 124.26 2ww3 h ILE 551 Ca 0.12 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2ww3 h ILE 551 Cb 0.62 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2ww3 h ILE 551 CO 0.04 0.30 -0.01 0.44 0.00 0.00 0.00 178.15 178.92 2ww3 h ASP 552 N 1.23 0.18 -0.93 1.72 3.32 0.23 0.31 116.42 122.48 2ww3 h ASP 552 Ca 0.30 -0.33 0.26 0.00 0.02 0.00 0.00 57.03 57.28 2ww3 h ASP 552 Cb 0.07 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 39.43 2ww3 h ASP 552 CO -0.04 0.47 0.41 -0.07 -1.72 0.00 0.00 179.24 178.28 2ww3 h LEU 553 N -0.11 0.30 -0.58 1.55 3.38 -0.62 -0.73 115.31 118.49 2ww3 h LEU 553 Ca 0.03 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2ww3 h LEU 553 Cb 0.38 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ww3 h LEU 553 CO 0.01 -0.09 0.00 0.23 0.09 0.00 0.00 178.44 178.67 2ww3 n MET 554 N -5.10 1.39 -0.46 1.13 2.81 -0.51 -4.88 117.12 111.50 2ww3 n MET 554 Ca 0.25 -0.57 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 2ww3 n MET 554 Cb 0.78 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 2ww3 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 555 N 1.09 0.71 0.00 3.03 0.00 -0.28 -4.62 105.19 105.12 2ww3 n GLY 555 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2ww3 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 556 N -2.46 2.02 0.28 -0.02 0.00 0.10 -4.68 105.19 100.44 2ww3 n GLY 556 Ca 0.00 -2.04 0.03 0.00 0.00 0.00 0.00 46.02 44.01 2ww3 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww3 h LYS 557 N 0.00 0.45 -0.30 1.61 2.10 -1.93 -1.22 116.57 117.28 2ww3 h LYS 557 Ca 0.00 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 2ww3 h LYS 557 Cb 0.00 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2ww3 h LYS 557 CO 0.00 0.39 0.10 0.93 -2.00 0.00 0.00 179.45 178.87 2ww3 h GLU 558 N 0.45 0.46 -0.06 0.07 3.07 -1.91 -1.31 114.58 115.34 2ww3 h GLU 558 Ca 0.11 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 58.70 2ww3 h GLU 558 Cb 0.12 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2ww3 h GLU 558 CO -0.01 0.50 -0.72 0.52 -1.40 0.00 0.00 179.01 177.90 2ww3 h MET 559 N 0.32 0.32 -0.28 2.33 2.86 -1.68 -2.53 114.93 116.27 2ww3 h MET 559 Ca 0.10 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2ww3 h MET 559 Cb 0.23 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2ww3 h MET 559 CO -0.00 0.91 0.17 0.35 1.06 0.00 0.00 176.91 179.39 2ww3 h PHE 560 N 0.22 0.36 0.00 -0.22 3.04 -1.13 -1.36 116.94 117.85 2ww3 h PHE 560 Ca -0.03 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 2ww3 h PHE 560 Cb 1.28 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 2ww3 h PHE 560 CO 0.03 0.27 -0.19 0.28 -2.02 0.00 0.00 178.31 176.68 2ww3 h VAL 561 N 0.35 1.05 -0.06 1.41 2.07 -1.21 -0.71 116.25 119.15 2ww3 h VAL 561 Ca 0.10 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2ww3 h VAL 561 Cb 0.01 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2ww3 h VAL 561 CO -0.02 0.19 -0.01 0.74 0.02 0.00 0.00 177.57 178.49 2ww3 h THR 562 N 0.00 1.28 -0.50 2.57 2.02 -0.96 -0.76 112.91 116.56 2ww3 h THR 562 Ca -0.00 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.33 2ww3 h THR 562 Cb 0.35 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 2ww3 h THR 562 CO 0.02 0.24 0.29 0.24 0.37 0.00 0.00 175.52 176.68 2ww3 h MET 563 N -0.22 0.55 -0.41 6.66 2.07 -0.94 -1.40 114.93 121.24 2ww3 h MET 563 Ca 0.02 -0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.56 2ww3 h MET 563 Cb 0.39 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 2ww3 h MET 563 CO 0.01 0.36 0.06 0.52 1.07 0.00 0.00 176.91 178.93 2ww3 h MET 564 N 0.57 0.68 -0.36 1.72 2.07 -1.11 -2.53 114.93 115.96 2ww3 h MET 564 Ca 0.21 -0.19 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 2ww3 h MET 564 Cb 0.05 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 2ww3 h MET 564 CO -0.11 0.73 0.13 -0.44 1.07 0.00 0.00 176.91 178.30 2ww3 h ASP 565 N 0.53 0.46 1.04 1.22 3.32 -0.92 -2.88 116.42 119.19 2ww3 h ASP 565 Ca 0.12 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2ww3 h ASP 565 Cb 0.38 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2ww3 h ASP 565 CO 0.01 0.43 -0.23 0.77 -1.72 0.00 0.00 179.24 178.50 2ww3 h SER 566 N 0.51 0.00 -0.63 6.45 4.64 -0.82 -2.77 113.55 120.93 2ww3 h SER 566 Ca 0.13 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.57 2ww3 h SER 566 Cb 0.13 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.09 2ww3 h SER 566 CO -0.01 0.23 -0.18 0.58 -0.87 0.00 0.00 176.83 176.59 2ww3 h VAL 567 N 0.00 0.34 0.00 0.95 2.07 -1.37 0.69 116.25 118.93 2ww3 h VAL 567 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2ww3 h VAL 567 Cb 0.82 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2ww3 h VAL 567 CO 0.03 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.29 2ww3 h PHE 568 N -0.02 0.00 0.00 1.57 0.04 -1.63 -1.41 116.94 115.48 2ww3 h PHE 568 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2ww3 h PHE 568 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 2ww3 h PHE 568 CO -0.53 0.07 -1.30 0.00 -0.60 0.00 0.00 178.31 175.95 2ww3 n ALA 569 N -2.15 4.13 -2.72 2.45 0.00 0.10 -3.27 120.51 119.04 2ww3 n ALA 569 Ca -0.00 -0.57 -0.39 0.00 0.00 0.00 0.00 53.44 52.48 2ww3 n ALA 569 Cb 0.30 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2ww3 n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ww3 s VAL 570 N -3.14 5.13 0.49 0.00 -7.23 -0.39 -4.92 120.40 110.33 2ww3 s VAL 570 Ca 0.03 1.17 -0.24 0.00 -1.81 0.00 0.00 61.98 61.13 2ww3 s VAL 570 Cb 0.15 -3.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 2ww3 s VAL 570 CO 0.87 0.29 1.35 -2.65 -0.31 0.00 0.00 175.10 174.65 2ww3 n PRO 571 N 3.74 1.90 -1.19 4.82 -0.02 -1.26 -2.79 135.00 140.19 2ww3 n PRO 571 Ca -0.04 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.80 2ww3 n PRO 571 Cb 0.51 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 2ww3 n PRO 571 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ww3 n PRO 572 N -0.52 3.21 -2.50 0.52 -0.04 -1.26 -4.76 135.00 129.64 2ww3 n PRO 572 Ca 0.08 -1.88 -0.34 0.00 -0.04 0.00 0.00 63.50 61.32 2ww3 n PRO 572 Cb 0.43 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 2ww3 n PRO 572 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ww3 s ILE 573 N 2.03 3.69 0.10 0.52 -1.09 -1.26 -4.84 121.20 120.34 2ww3 s ILE 573 Ca 0.66 1.08 -0.18 0.00 -2.23 0.00 0.00 60.65 59.99 2ww3 s ILE 573 Cb 0.20 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.67 2ww3 s ILE 573 CO -0.05 -0.20 0.43 0.72 -1.23 0.00 0.00 174.94 174.62 2ww3 s PHE 574 N -1.91 -0.27 -0.20 3.97 -0.12 -1.26 -4.91 117.98 113.28 2ww3 s PHE 574 Ca 0.67 0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 57.61 2ww3 s PHE 574 Cb -0.18 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.49 2ww3 s PHE 574 CO 0.22 -0.67 -0.12 0.34 -0.05 0.00 0.00 175.22 174.94 2ww3 s ASP 575 N -2.49 3.71 -0.08 1.98 -1.08 -1.16 -4.99 116.67 112.56 2ww3 s ASP 575 Ca -0.00 -0.52 0.14 0.00 -0.52 0.00 0.00 52.55 51.65 2ww3 s ASP 575 Cb 0.01 -1.61 0.45 0.00 -1.46 0.00 0.00 42.92 40.31 2ww3 s ASP 575 CO -0.08 -0.01 1.37 -0.90 0.52 0.00 0.00 175.17 176.07 2ww3 n ASP 576 N 4.70 3.55 -0.30 -0.34 5.68 -1.26 -2.05 116.55 126.53 2ww3 n ASP 576 Ca -0.20 -2.42 0.12 0.00 -0.50 0.00 0.00 54.79 51.80 2ww3 n ASP 576 Cb 0.50 -0.40 0.29 0.00 -1.14 0.00 0.00 41.12 40.38 2ww3 n ASP 576 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2ww3 h SER 577 N 2.29 0.30 -0.06 -1.12 4.64 -1.92 0.37 113.55 118.05 2ww3 h SER 577 Ca 0.00 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2ww3 h SER 577 Cb 1.09 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2ww3 h SER 577 CO 0.11 0.00 0.22 0.22 -0.87 0.00 0.00 176.83 176.51 2ww3 h TYR 578 N 0.39 0.00 0.00 4.77 3.20 -1.84 -2.85 116.97 120.64 2ww3 h TYR 578 Ca 0.54 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 62.17 2ww3 h TYR 578 Cb 1.01 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2ww3 h TYR 578 CO -0.15 0.00 -1.89 0.66 -1.64 0.00 0.00 178.16 175.14 2ww3 n TYR 579 N -3.15 0.00 -0.74 -3.82 4.01 0.12 -4.94 117.16 108.64 2ww3 n TYR 579 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2ww3 n TYR 579 Cb 0.29 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 2ww3 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww3 n GLY 580 N 2.40 0.61 3.56 2.72 0.00 -0.62 -4.99 105.19 108.87 2ww3 n GLY 580 Ca -0.24 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2ww3 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww3 s GLN 581 N -0.60 0.55 -1.01 1.61 -2.07 -1.26 -5.07 119.66 111.80 2ww3 s GLN 581 Ca 0.00 -0.10 -0.23 0.00 -1.82 0.00 0.00 55.36 53.21 2ww3 s GLN 581 Cb 0.00 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 2ww3 s GLN 581 CO 0.00 -0.22 1.70 0.08 -1.32 0.00 0.00 175.29 175.53 2ww3 s VAL 582 N -2.19 3.73 0.82 3.63 1.01 -1.26 -4.90 120.40 121.24 2ww3 s VAL 582 Ca 0.05 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 2ww3 s VAL 582 Cb -0.01 -4.64 0.09 0.00 0.00 0.00 0.00 36.38 31.83 2ww3 s VAL 582 CO -0.05 -1.50 1.16 0.27 0.00 0.00 0.00 175.10 174.98 2ww3 s ILE 583 N 7.32 2.40 0.39 2.22 -4.36 -1.26 -4.70 121.20 123.21 2ww3 s ILE 583 Ca 0.58 0.15 0.07 0.00 -0.26 0.00 0.00 60.65 61.19 2ww3 s ILE 583 Cb -0.02 -2.45 0.28 0.00 1.25 0.00 0.00 42.46 41.52 2ww3 s ILE 583 CO -0.03 -0.15 2.01 1.12 0.24 0.00 0.00 174.94 178.13 2ww3 h HIS 584 N -1.17 0.62 -0.63 1.37 2.07 -1.78 -0.20 115.15 115.43 2ww3 h HIS 584 Ca -0.45 0.02 0.09 0.00 -2.85 0.00 0.00 60.37 57.18 2ww3 h HIS 584 Cb 1.27 -0.21 -0.07 0.00 2.57 0.00 0.00 27.41 30.97 2ww3 h HIS 584 CO 0.51 0.36 0.26 0.93 -3.07 0.00 0.00 177.93 176.92 2ww3 h GLU 585 N 0.65 0.45 -0.01 5.12 3.07 -1.89 0.30 114.58 122.26 2ww3 h GLU 585 Ca 0.23 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2ww3 h GLU 585 Cb 0.10 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2ww3 h GLU 585 CO -0.06 0.30 0.00 0.82 -1.40 0.00 0.00 179.01 178.67 2ww3 h ILE 586 N 0.46 1.17 -0.86 3.13 2.04 -1.38 -2.52 117.51 119.56 2ww3 h ILE 586 Ca 0.31 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.75 2ww3 h ILE 586 Cb 0.36 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 2ww3 h ILE 586 CO -0.29 0.14 0.50 -0.09 0.00 0.00 0.00 178.15 178.41 2ww3 h ARG 587 N -0.19 0.82 -0.64 2.37 9.65 -0.94 -1.75 114.38 123.70 2ww3 h ARG 587 Ca 0.00 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2ww3 h ARG 587 Cb 0.22 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 2ww3 h ARG 587 CO -0.00 0.54 0.39 0.93 2.80 0.00 0.00 179.97 184.63 2ww3 h GLU 588 N 0.84 0.87 -0.57 0.20 5.08 -0.21 -1.47 114.58 119.32 2ww3 h GLU 588 Ca 0.41 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 2ww3 h GLU 588 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2ww3 h GLU 588 CO -0.24 0.61 0.37 1.98 -1.00 0.00 0.00 179.01 180.73 2ww3 h MET 589 N 0.87 0.73 -0.54 2.33 4.05 -0.97 -3.17 114.93 118.23 2ww3 h MET 589 Ca 0.23 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.51 2ww3 h MET 589 Cb -0.03 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 2ww3 h MET 589 CO -0.04 0.49 -0.05 1.79 0.23 0.00 0.00 176.91 179.33 2ww3 h THR 590 N 0.76 1.27 0.00 -0.77 1.35 -0.52 -3.15 112.91 111.85 2ww3 h THR 590 Ca 0.21 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2ww3 h THR 590 Cb -0.07 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2ww3 h THR 590 CO -0.05 0.42 0.00 -0.37 -0.25 0.00 0.00 175.52 175.26 2ww3 h VAL 591 N 0.86 0.00 0.00 6.82 -1.51 -1.27 -3.23 116.25 117.92 2ww3 h VAL 591 Ca 0.15 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2ww3 h VAL 591 Cb 0.60 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2ww3 h VAL 591 CO 0.04 0.00 -0.20 0.24 -1.23 0.00 0.00 177.57 176.41 2ww3 h MET 592 N 0.00 0.00 -5.99 5.19 2.86 -1.58 -3.47 114.93 111.93 2ww3 h MET 592 Ca 0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 2ww3 h MET 592 Cb 0.53 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.22 2ww3 h MET 592 CO 0.00 0.00 -0.71 -1.71 1.06 0.00 0.00 176.91 175.55 2ww3 n ASN 593 N -2.25 -5.41 -2.25 1.22 4.05 -1.22 -4.89 115.26 104.51 2ww3 n ASN 593 Ca 0.05 -0.65 -0.28 0.00 0.45 0.00 0.00 54.58 54.15 2ww3 n ASN 593 Cb 0.44 -4.30 0.03 0.00 1.23 0.00 0.00 39.78 37.18 2ww3 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww3 n MET 594 N -4.71 3.37 0.00 1.20 2.81 -1.26 -5.07 117.12 113.45 2ww3 n MET 594 Ca 0.02 -4.08 0.00 0.00 -1.81 0.00 0.00 57.70 51.83 2ww3 n MET 594 Cb 0.54 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 2ww3 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 595 N -0.67 3.70 0.79 3.03 0.00 -1.20 -1.28 105.19 109.56 2ww3 n GLY 595 Ca 0.46 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.56 2ww3 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww3 n ASN 596 N 5.54 2.41 -4.58 1.61 3.02 -0.53 -4.21 115.26 118.51 2ww3 n ASN 596 Ca 0.00 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 2ww3 n ASN 596 Cb 0.00 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 2ww3 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww3 s TYR 597 N -1.80 2.16 -0.40 3.10 5.04 -0.40 -4.90 117.35 120.14 2ww3 s TYR 597 Ca 0.34 0.58 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 2ww3 s TYR 597 Cb 0.20 -4.30 0.11 0.00 0.35 0.00 0.00 41.96 38.33 2ww3 s TYR 597 CO 0.30 -2.16 0.16 0.00 -1.34 0.00 0.00 175.55 172.50 2ww3 s ALA 598 N 6.44 3.08 0.62 3.97 0.00 -1.26 -4.67 121.76 129.95 2ww3 s ALA 598 Ca 0.60 -2.64 0.36 0.00 0.00 0.00 0.00 51.96 50.28 2ww3 s ALA 598 Cb -0.13 -2.22 2.06 0.00 0.00 0.00 0.00 23.12 22.83 2ww3 s ALA 598 CO 0.27 -1.79 2.30 1.25 0.00 0.00 0.00 175.76 177.79 2ww3 h HIS 599 N 7.68 0.00 0.00 0.00 2.76 -1.92 -0.28 115.15 123.39 2ww3 h HIS 599 Ca -0.08 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 2ww3 h HIS 599 Cb 1.02 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 2ww3 h HIS 599 CO 0.52 0.00 -0.14 0.78 -1.30 0.00 0.00 177.93 177.79 2ww3 h GLY 600 N 0.00 0.00 -7.16 5.26 0.00 -1.93 -3.43 103.07 95.81 2ww3 h GLY 600 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2ww3 h GLY 600 CO -0.00 0.00 1.30 0.21 0.00 0.00 0.00 176.54 178.05 2ww3 s ASN 601 N -6.03 5.63 0.28 0.19 3.84 -0.12 -4.79 114.94 113.94 2ww3 s ASN 601 Ca 0.01 0.80 0.01 0.00 0.21 0.00 0.00 52.86 53.90 2ww3 s ASN 601 Cb 0.09 -2.53 0.62 0.00 -0.55 0.00 0.00 41.25 38.88 2ww3 s ASN 601 CO 0.61 -2.00 1.74 1.56 -2.79 0.00 0.00 177.10 176.22 2ww3 h GLN 602 N 13.69 0.56 -0.30 0.43 7.50 -1.87 -1.86 115.11 133.26 2ww3 h GLN 602 Ca -0.29 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 58.82 2ww3 h GLN 602 Cb 1.16 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 2ww3 h GLN 602 CO 1.13 0.37 0.18 -1.35 -1.50 0.00 0.00 178.83 177.65 2ww3 h PRO 603 N 0.58 0.40 -0.01 1.46 0.11 -1.90 -2.21 132.00 130.43 2ww3 h PRO 603 Ca 0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2ww3 h PRO 603 Cb 0.81 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2ww3 h PRO 603 CO -0.41 0.28 -0.10 1.51 -0.21 0.00 0.00 178.00 179.07 2ww3 n ILE 604 N -4.47 0.00 0.22 4.15 3.06 -0.70 -4.51 119.36 117.11 2ww3 n ILE 604 Ca 0.01 -0.12 0.06 0.00 -2.50 0.00 0.00 62.75 60.20 2ww3 n ILE 604 Cb 0.08 0.13 0.51 0.00 0.54 0.00 0.00 39.64 40.90 2ww3 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww3 h GLN 605 N 1.11 0.00 0.00 9.51 4.20 -1.36 -1.27 115.11 127.30 2ww3 h GLN 605 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2ww3 h GLN 605 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2ww3 h GLN 605 CO 0.00 0.19 -0.43 1.12 -0.67 0.00 0.00 178.83 179.04 2ww3 h HIS 606 N 0.00 0.00 -0.77 2.96 2.07 -1.80 -3.41 115.15 114.19 2ww3 h HIS 606 Ca -0.00 0.00 0.17 0.00 -2.85 0.00 0.00 60.37 57.69 2ww3 h HIS 606 Cb 0.34 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.19 2ww3 h HIS 606 CO 0.00 0.12 -0.07 1.98 -3.07 0.00 0.00 177.93 176.89 2ww3 h MET 607 N 0.00 0.05 -0.69 5.12 -1.53 -1.51 0.15 114.93 116.53 2ww3 h MET 607 Ca -0.01 -0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.33 2ww3 h MET 607 Cb 1.10 -0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 32.10 2ww3 h MET 607 CO 0.01 0.04 0.45 0.82 0.14 0.00 0.00 176.91 178.37 2ww3 h ILE 608 N 0.06 0.96 0.00 1.77 2.04 -1.80 0.28 117.51 120.80 2ww3 h ILE 608 Ca 0.41 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2ww3 h ILE 608 Cb 0.69 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2ww3 h ILE 608 CO -0.73 0.11 0.00 -1.22 0.00 0.00 0.00 178.15 176.31 2ww3 n TYR 609 N -4.48 0.71 0.35 1.37 4.02 0.04 -1.84 117.16 117.32 2ww3 n TYR 609 Ca 0.11 0.34 0.14 0.00 -0.01 0.00 0.00 57.90 58.48 2ww3 n TYR 609 Cb 0.30 -1.05 0.50 0.00 -0.02 0.00 0.00 39.34 39.08 2ww3 n TYR 609 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2ww3 h LEU 610 N 0.00 0.00 -1.23 7.72 3.38 -0.49 -2.11 115.31 122.58 2ww3 h LEU 610 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2ww3 h LEU 610 Cb 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2ww3 h LEU 610 CO 0.00 0.00 0.56 1.88 0.09 0.00 0.00 178.44 180.97 2ww3 h TYR 611 N 0.00 0.91 -0.17 1.13 0.05 -1.49 -2.49 116.97 114.90 2ww3 h TYR 611 Ca 0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.86 2ww3 h TYR 611 Cb 0.59 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 2ww3 h TYR 611 CO 0.00 0.41 -0.23 -0.44 -1.05 0.00 0.00 178.16 176.85 2ww3 h ASP 612 N 0.84 -0.71 0.00 3.88 5.19 -1.59 -0.61 116.42 123.41 2ww3 h ASP 612 Ca 0.41 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2ww3 h ASP 612 Cb 0.45 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.28 2ww3 h ASP 612 CO -0.17 -0.27 0.18 1.88 -3.12 0.00 0.00 179.24 177.74 2ww3 h TYR 613 N -0.27 0.00 -0.73 4.55 -1.99 -1.59 0.14 116.97 117.08 2ww3 h TYR 613 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2ww3 h TYR 613 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 2ww3 h TYR 613 CO -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 177.81 2ww3 n ALA 614 N -1.97 2.56 -2.13 3.88 0.00 -0.27 -4.94 120.51 117.63 2ww3 n ALA 614 Ca -0.02 -1.37 -0.08 0.00 0.00 0.00 0.00 53.44 51.96 2ww3 n ALA 614 Cb 0.24 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 2ww3 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww3 n GLY 615 N 1.56 0.06 2.22 0.00 0.00 0.48 -4.92 105.19 104.58 2ww3 n GLY 615 Ca 0.25 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2ww3 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww3 n GLN 616 N -1.79 0.98 0.33 1.61 6.02 -0.99 -4.59 117.38 118.95 2ww3 n GLN 616 Ca -0.09 -3.40 0.22 0.00 -0.01 0.00 0.00 57.00 53.71 2ww3 n GLN 616 Cb 0.57 -1.57 1.13 0.00 1.02 0.00 0.00 30.24 31.38 2ww3 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww3 h PRO 617 N 3.34 0.00 -0.22 -1.09 0.13 -1.81 -1.56 132.00 130.79 2ww3 h PRO 617 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2ww3 h PRO 617 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2ww3 h PRO 617 CO 0.50 0.00 -0.13 0.11 -0.23 0.00 0.00 178.00 178.26 2ww3 h TRP 618 N 0.00 0.38 -0.43 1.56 0.09 -1.90 -0.28 115.95 115.37 2ww3 h TRP 618 Ca -0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 58.89 58.84 2ww3 h TRP 618 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.16 29.20 2ww3 h TRP 618 CO 0.00 0.48 -0.08 0.87 0.09 0.00 0.00 178.44 179.80 2ww3 h LYS 619 N 0.34 0.75 -0.71 0.12 1.57 -1.67 -0.92 116.57 116.04 2ww3 h LYS 619 Ca 0.07 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 2ww3 h LYS 619 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2ww3 h LYS 619 CO 0.03 0.81 0.25 0.00 -0.57 0.00 0.00 179.45 179.97 2ww3 h ALA 620 N 1.22 1.11 -0.59 3.86 0.00 -1.18 -1.95 119.26 121.73 2ww3 h ALA 620 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2ww3 h ALA 620 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ww3 h ALA 620 CO 0.03 0.62 0.02 1.96 0.00 0.00 0.00 179.25 181.89 2ww3 h GLN 621 N 1.04 1.02 0.25 0.00 4.20 -0.49 0.27 115.11 121.41 2ww3 h GLN 621 Ca 0.24 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2ww3 h GLN 621 Cb 0.24 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2ww3 h GLN 621 CO -0.01 1.00 -0.12 -0.92 -0.67 0.00 0.00 178.83 178.11 2ww3 h TYR 622 N 0.92 -0.31 -0.07 2.96 3.20 -0.97 -3.01 116.97 119.69 2ww3 h TYR 622 Ca 0.17 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.84 2ww3 h TYR 622 Cb 0.52 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 2ww3 h TYR 622 CO 0.04 -0.02 -0.76 -1.49 -1.64 0.00 0.00 178.16 174.29 2ww3 h TRP 623 N -0.59 0.58 -0.87 -3.82 4.06 -1.20 -2.42 115.95 111.69 2ww3 h TRP 623 Ca -0.03 -0.26 0.01 0.00 2.06 0.00 0.00 58.89 60.66 2ww3 h TRP 623 Cb 0.43 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 2ww3 h TRP 623 CO 0.01 1.03 0.56 -0.07 -3.56 0.00 0.00 178.44 176.41 2ww3 h LEU 624 N 0.28 1.01 -0.48 -4.49 3.38 -0.55 -1.29 115.31 113.18 2ww3 h LEU 624 Ca -0.04 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2ww3 h LEU 624 Cb 1.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2ww3 h LEU 624 CO 0.13 0.74 -0.20 -0.09 0.09 0.00 0.00 178.44 179.12 2ww3 h ARG 625 N 1.18 0.97 -0.32 1.13 9.65 -1.43 -0.76 114.38 124.81 2ww3 h ARG 625 Ca 0.32 -0.41 0.07 0.00 -1.10 0.00 0.00 59.98 58.86 2ww3 h ARG 625 Cb -0.12 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.35 2ww3 h ARG 625 CO -0.07 1.08 -0.20 1.96 2.80 0.00 0.00 179.97 185.55 2ww3 h GLN 626 N 0.82 -0.15 0.02 0.20 1.08 -1.13 0.23 115.11 116.18 2ww3 h GLN 626 Ca 0.11 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2ww3 h GLN 626 Cb 0.77 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 2ww3 h GLN 626 CO 0.06 -0.10 -0.07 0.28 -0.95 0.00 0.00 178.83 178.05 2ww3 h VAL 627 N -0.16 0.82 -0.72 -0.54 2.07 -0.83 -0.67 116.25 116.22 2ww3 h VAL 627 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2ww3 h VAL 627 Cb 0.41 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2ww3 h VAL 627 CO -0.42 0.00 0.37 0.24 0.02 0.00 0.00 177.57 177.79 2ww3 h MET 628 N -0.13 1.01 -0.00 1.57 2.86 -0.90 0.78 114.93 120.12 2ww3 h MET 628 Ca 0.02 -0.12 -0.20 0.00 -2.06 0.00 0.00 59.70 57.34 2ww3 h MET 628 Cb 0.16 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2ww3 h MET 628 CO -0.06 0.76 -0.86 -0.44 1.06 0.00 0.00 176.91 177.37 2ww3 h ASP 629 N 1.01 0.28 0.00 1.22 3.32 -0.67 -3.38 116.42 118.20 2ww3 h ASP 629 Ca 0.25 -0.22 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 2ww3 h ASP 629 Cb 0.06 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2ww3 h ASP 629 CO -0.04 1.01 -1.71 0.54 -1.72 0.00 0.00 179.24 177.33 2ww3 n ARG 630 N -3.68 1.58 0.00 3.56 1.74 -0.28 -4.67 116.66 114.91 2ww3 n ARG 630 Ca -0.04 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2ww3 n ARG 630 Cb 0.80 -1.26 0.31 0.00 -1.02 0.00 0.00 32.46 31.29 2ww3 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww3 n MET 631 N -2.56 0.01 -4.52 5.56 2.81 0.25 -4.77 117.12 113.90 2ww3 n MET 631 Ca -0.19 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.44 2ww3 n MET 631 Cb 0.79 -1.51 -0.17 0.00 -0.71 0.00 0.00 33.22 31.63 2ww3 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww3 s TYR 632 N -3.01 1.73 0.16 2.03 1.51 -1.25 -3.03 117.35 115.49 2ww3 s TYR 632 Ca 0.11 -0.74 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 2ww3 s TYR 632 Cb 0.18 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 2ww3 s TYR 632 CO 0.67 -0.39 -0.10 0.95 -1.11 0.00 0.00 175.55 175.58 2ww3 s THR 633 N 0.87 1.26 -1.94 -0.71 -4.23 -0.12 -4.81 115.64 105.95 2ww3 s THR 633 Ca -0.10 -2.09 0.30 0.00 -1.18 0.00 0.00 61.69 58.62 2ww3 s THR 633 Cb -0.15 -1.92 0.64 0.00 1.34 0.00 0.00 72.50 72.41 2ww3 s THR 633 CO 0.01 -0.69 1.98 -0.81 -0.54 0.00 0.00 174.62 174.57 2ww3 n PRO 634 N -0.25 0.99 -1.11 3.99 -0.04 -1.26 -4.01 135.00 133.31 2ww3 n PRO 634 Ca -0.09 -0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 62.97 2ww3 n PRO 634 Cb 0.61 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.64 2ww3 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 635 N 1.16 -0.20 0.35 0.55 0.00 -1.26 -4.75 105.19 101.04 2ww3 n GLY 635 Ca 0.19 -1.85 0.17 0.00 0.00 0.00 0.00 46.02 44.53 2ww3 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww3 h PRO 636 N 0.00 0.00 -1.77 1.61 0.11 -1.92 -1.07 132.00 128.96 2ww3 h PRO 636 Ca -0.15 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.25 2ww3 h PRO 636 Cb 0.49 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.28 2ww3 h PRO 636 CO 0.13 0.00 0.53 -0.40 -0.21 0.00 0.00 178.00 178.05 2ww3 n ASP 637 N -4.08 6.73 0.09 -2.05 3.85 -1.26 -0.59 116.55 119.24 2ww3 n ASP 637 Ca 0.05 -3.80 -0.07 0.00 -0.71 0.00 0.00 54.79 50.25 2ww3 n ASP 637 Cb 0.43 -0.88 -0.03 0.00 -1.35 0.00 0.00 41.12 39.28 2ww3 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww3 h GLY 638 N 2.80 0.10 -1.46 6.12 0.00 -1.29 -3.45 103.07 105.89 2ww3 h GLY 638 Ca 0.50 -0.19 -0.47 0.00 0.00 0.00 0.00 47.33 47.17 2ww3 h GLY 638 CO 1.28 0.17 0.18 -0.19 0.00 0.00 0.00 176.54 177.97 2ww3 s TYR 639 N -3.03 3.13 -2.31 5.60 1.51 -0.31 -0.94 117.35 121.00 2ww3 s TYR 639 Ca -0.01 0.54 0.23 0.00 -1.01 0.00 0.00 57.07 56.82 2ww3 s TYR 639 Cb 0.10 -2.87 0.49 0.00 -0.11 0.00 0.00 41.96 39.57 2ww3 s TYR 639 CO 0.82 -1.00 1.44 0.00 -1.11 0.00 0.00 175.55 175.70 2ww3 n GLY 641 N 1.55 -1.66 3.56 0.00 0.00 -1.21 -4.66 105.19 102.76 2ww3 n GLY 641 Ca 0.21 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2ww3 n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ww3 n ASP 642 N 1.20 0.78 0.12 1.61 9.92 -1.26 -2.61 116.55 126.31 2ww3 n ASP 642 Ca 0.00 1.09 -0.22 0.00 -0.53 0.00 0.00 54.79 55.13 2ww3 n ASP 642 Cb 0.00 -1.26 -0.15 0.00 -0.64 0.00 0.00 41.12 39.07 2ww3 n ASP 642 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ww3 h GLU 643 N 1.59 0.44 -5.52 -1.24 4.22 -1.66 -3.44 114.58 108.96 2ww3 h GLU 643 Ca -0.41 -0.74 -0.27 0.00 0.08 0.00 0.00 59.36 58.02 2ww3 h GLU 643 Cb 1.35 0.28 0.19 0.00 0.50 0.00 0.00 28.75 31.07 2ww3 h GLU 643 CO 0.58 1.35 -0.86 -0.25 -2.18 0.00 0.00 179.01 177.64 2ww3 n ASP 644 N -3.63 -6.34 -2.68 1.04 8.00 -1.26 -2.00 116.55 109.68 2ww3 n ASP 644 Ca -0.17 -0.73 -0.18 0.00 0.71 0.00 0.00 54.79 54.43 2ww3 n ASP 644 Cb 1.08 -5.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 2ww3 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww3 n ASN 645 N -3.19 -4.75 0.00 -2.24 4.13 -1.26 -2.08 115.26 105.88 2ww3 n ASN 645 Ca -0.08 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.14 2ww3 n ASN 645 Cb 0.62 -3.95 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 2ww3 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww3 n GLY 646 N -1.04 1.88 0.40 7.41 0.00 -1.25 -4.50 105.19 108.10 2ww3 n GLY 646 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 2ww3 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww3 h GLN 647 N 0.39 -0.87 -0.10 1.61 5.75 -1.48 0.93 115.11 121.34 2ww3 h GLN 647 Ca 0.00 0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2ww3 h GLN 647 Cb 0.00 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2ww3 h GLN 647 CO 0.00 -0.58 -0.24 1.15 -2.65 0.00 0.00 178.83 176.51 2ww3 h THR 648 N -0.90 1.22 0.01 2.39 2.02 -1.64 -1.43 112.91 114.57 2ww3 h THR 648 Ca -0.07 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 2ww3 h THR 648 Cb 0.74 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2ww3 h THR 648 CO 0.07 0.31 -0.00 0.28 0.37 0.00 0.00 175.52 176.54 2ww3 h SER 649 N 0.16 -0.01 0.19 4.18 0.02 -1.68 -3.18 113.55 113.23 2ww3 h SER 649 Ca 0.03 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 2ww3 h SER 649 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2ww3 h SER 649 CO 0.04 0.47 -0.09 0.00 -1.14 0.00 0.00 176.83 176.12 2ww3 h ALA 650 N 0.50 1.49 -0.73 3.77 0.00 0.10 -0.59 119.26 123.80 2ww3 h ALA 650 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ww3 h ALA 650 Cb 0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2ww3 h ALA 650 CO 0.00 0.11 0.44 2.35 0.00 0.00 0.00 179.25 182.15 2ww3 h TRP 651 N 0.00 0.81 -0.08 0.00 7.01 -1.24 -0.18 115.95 122.27 2ww3 h TRP 651 Ca -0.00 0.02 -0.21 0.00 2.11 0.00 0.00 58.89 60.81 2ww3 h TRP 651 Cb 0.20 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 2ww3 h TRP 651 CO 0.00 0.43 -0.80 -0.92 -2.79 0.00 0.00 178.44 174.36 2ww3 h TYR 652 N 0.83 0.76 0.59 2.65 5.03 -1.15 -0.29 116.97 125.39 2ww3 h TYR 652 Ca 0.31 -0.35 -0.03 0.00 2.58 0.00 0.00 58.73 61.23 2ww3 h TYR 652 Cb 0.10 -0.11 0.01 0.00 1.55 0.00 0.00 36.73 38.28 2ww3 h TYR 652 CO -0.05 1.15 -0.29 0.28 -1.32 0.00 0.00 178.16 177.93 2ww3 h VAL 653 N 0.36 0.41 -0.31 1.81 2.07 -0.97 0.23 116.25 119.85 2ww3 h VAL 653 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2ww3 h VAL 653 Cb 1.41 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2ww3 h VAL 653 CO 0.15 0.00 0.09 -0.26 0.02 0.00 0.00 177.57 177.57 2ww3 h PHE 654 N -0.80 0.15 -0.12 1.57 0.04 -1.09 -2.45 116.94 114.25 2ww3 h PHE 654 Ca -0.08 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.56 2ww3 h PHE 654 Cb 0.62 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2ww3 h PHE 654 CO -0.04 0.06 -0.54 0.77 -0.60 0.00 0.00 178.31 177.96 2ww3 h SER 655 N 0.21 0.39 -0.66 2.17 0.02 -0.81 -1.99 113.55 112.88 2ww3 h SER 655 Ca 0.14 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 2ww3 h SER 655 Cb 0.13 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2ww3 h SER 655 CO -0.16 0.85 0.22 0.00 -1.14 0.00 0.00 176.83 176.61 2ww3 h ALA 656 N 1.15 1.11 0.00 3.77 0.00 -0.42 -1.66 119.26 123.21 2ww3 h ALA 656 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2ww3 h ALA 656 Cb 1.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ww3 h ALA 656 CO 0.09 0.62 -0.11 -0.07 0.00 0.00 0.00 179.25 179.78 2ww3 h LEU 657 N 1.01 0.00 0.00 0.00 3.38 -0.92 0.89 115.31 119.66 2ww3 h LEU 657 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2ww3 h LEU 657 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ww3 h LEU 657 CO -0.01 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2ww3 n GLY 658 N -0.79 1.32 3.45 0.83 0.00 -0.63 -4.55 105.19 104.83 2ww3 n GLY 658 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2ww3 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww3 s PHE 659 N -2.00 -0.56 -0.08 1.61 -0.12 -1.11 -0.22 117.98 115.50 2ww3 s PHE 659 Ca 0.00 0.54 -0.07 0.00 -0.05 0.00 0.00 56.93 57.35 2ww3 s PHE 659 Cb 0.00 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2ww3 s PHE 659 CO 0.00 -0.77 0.21 -0.47 -0.05 0.00 0.00 175.22 174.14 2ww3 s TYR 660 N -3.02 -0.24 -1.40 3.49 6.14 0.34 -4.03 117.35 118.64 2ww3 s TYR 660 Ca -0.02 0.58 -0.15 0.00 0.64 0.00 0.00 57.07 58.12 2ww3 s TYR 660 Cb -0.01 0.06 0.06 0.00 0.42 0.00 0.00 41.96 42.49 2ww3 s TYR 660 CO -0.07 -0.13 2.05 -0.35 0.64 0.00 0.00 175.55 177.69 2ww3 n PRO 661 N 3.24 3.01 -0.30 4.97 -0.04 -1.26 0.05 135.00 144.67 2ww3 n PRO 661 Ca -0.15 -2.88 0.13 0.00 -0.04 0.00 0.00 63.50 60.56 2ww3 n PRO 661 Cb 0.57 -3.33 0.30 0.00 -0.04 0.00 0.00 33.50 31.00 2ww3 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww3 h VAL 662 N 4.48 0.43 -2.69 0.52 2.07 -1.87 -3.31 116.25 115.87 2ww3 h VAL 662 Ca 0.52 -0.11 -0.61 0.00 0.82 0.00 0.00 66.70 67.32 2ww3 h VAL 662 Cb 0.71 0.07 -0.42 0.00 -1.52 0.00 0.00 31.29 30.13 2ww3 h VAL 662 CO 1.73 0.06 -0.64 0.00 0.02 0.00 0.00 177.57 178.74 2ww3 n PRO 664 N 1.66 0.98 0.00 0.00 -0.02 -1.25 -0.55 135.00 135.82 2ww3 n PRO 664 Ca 0.24 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2ww3 n PRO 664 Cb 0.39 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2ww3 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww3 n GLY 665 N 1.45 2.57 4.00 -1.23 0.00 -1.26 -4.84 105.19 105.88 2ww3 n GLY 665 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2ww3 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 666 N -2.53 2.21 -0.44 2.61 -4.23 0.29 -4.88 115.64 108.67 2ww3 s THR 666 Ca 0.00 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 2ww3 s THR 666 Cb 0.00 -2.51 0.51 0.00 1.34 0.00 0.00 72.50 71.84 2ww3 s THR 666 CO 0.00 0.00 1.68 -0.90 -0.54 0.00 0.00 174.62 174.86 2ww3 n ASP 667 N -2.62 4.82 -4.36 3.99 5.75 -1.26 -4.96 116.55 117.90 2ww3 n ASP 667 Ca 0.14 -3.75 -0.32 0.00 -0.01 0.00 0.00 54.79 50.86 2ww3 n ASP 667 Cb 0.61 -0.73 -0.15 0.00 -1.03 0.00 0.00 41.12 39.82 2ww3 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww3 s GLU 668 N -3.51 2.32 -0.19 0.11 2.02 -1.26 -0.38 118.70 117.81 2ww3 s GLU 668 Ca 0.55 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 2ww3 s GLU 668 Cb 0.45 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 32.51 2ww3 s GLU 668 CO 0.02 0.55 -0.14 0.71 0.02 0.00 0.00 175.26 176.43 2ww3 s TYR 669 N -0.58 2.84 0.29 1.61 1.51 -0.15 -4.54 117.35 118.33 2ww3 s TYR 669 Ca 0.09 -1.28 -0.25 0.00 -1.01 0.00 0.00 57.07 54.62 2ww3 s TYR 669 Cb -0.11 -1.98 -0.09 0.00 -0.11 0.00 0.00 41.96 39.67 2ww3 s TYR 669 CO 0.00 -0.65 0.89 0.08 -1.11 0.00 0.00 175.55 174.76 2ww3 s VAL 670 N 1.26 4.29 0.02 0.71 1.01 0.11 -0.12 120.40 127.68 2ww3 s VAL 670 Ca 0.03 1.71 -0.25 0.00 0.00 0.00 0.00 61.98 63.48 2ww3 s VAL 670 Cb -0.14 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2ww3 s VAL 670 CO -0.07 0.18 0.75 -0.32 0.00 0.00 0.00 175.10 175.65 2ww3 s MET 671 N -1.97 4.48 0.00 2.72 1.75 0.86 -0.50 119.30 126.63 2ww3 s MET 671 Ca 0.48 1.03 0.00 0.00 -1.25 0.00 0.00 55.69 55.95 2ww3 s MET 671 Cb -0.19 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.10 2ww3 s MET 671 CO 0.23 0.23 0.00 0.41 -0.65 0.00 0.00 175.02 175.24 2ww3 n GLY 672 N 2.55 1.66 3.16 2.11 0.00 0.70 -4.91 105.19 110.46 2ww3 n GLY 672 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2ww3 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww3 s THR 673 N 2.78 -0.08 0.52 2.61 -1.32 -1.25 -4.74 115.64 114.15 2ww3 s THR 673 Ca 0.00 0.13 -0.20 0.00 -1.21 0.00 0.00 61.69 60.42 2ww3 s THR 673 Cb 0.00 -0.50 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 2ww3 s THR 673 CO 0.00 0.05 1.08 -2.16 -2.21 0.00 0.00 174.62 171.39 2ww3 s PRO 674 N 1.45 3.57 -0.02 7.08 0.04 -1.26 -4.36 135.00 141.50 2ww3 s PRO 674 Ca -0.08 1.48 0.19 0.00 0.04 0.00 0.00 61.00 62.63 2ww3 s PRO 674 Cb -0.10 -2.05 -0.21 0.00 0.04 0.00 0.00 34.50 32.18 2ww3 s PRO 674 CO -0.11 -0.64 0.55 -0.11 0.04 0.00 0.00 177.00 176.73 2ww3 n LEU 675 N -1.16 0.38 -4.65 -3.56 7.94 0.31 -4.94 117.00 111.31 2ww3 n LEU 675 Ca 0.10 0.16 -0.23 0.00 -1.11 0.00 0.00 56.01 54.93 2ww3 n LEU 675 Cb 0.52 0.14 -0.07 0.00 0.53 0.00 0.00 43.42 44.54 2ww3 n LEU 675 CO 0.41 0.15 -0.30 -0.36 -1.11 0.00 0.00 177.39 176.18 2ww3 s PHE 676 N -3.05 2.67 0.35 1.96 0.08 -1.26 -4.85 117.98 113.89 2ww3 s PHE 676 Ca -0.06 -0.28 0.11 0.00 0.12 0.00 0.00 56.93 56.82 2ww3 s PHE 676 Cb 0.10 -1.30 0.65 0.00 -0.57 0.00 0.00 43.02 41.89 2ww3 s PHE 676 CO 0.84 0.56 1.80 0.87 -0.10 0.00 0.00 175.22 179.19 2ww3 h LYS 677 N 1.83 0.07 -2.71 0.44 1.57 -1.50 -3.41 116.57 112.86 2ww3 h LYS 677 Ca -0.44 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 2ww3 h LYS 677 Cb 1.25 -0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 2ww3 h LYS 677 CO 0.62 0.44 -0.27 0.21 -0.57 0.00 0.00 179.45 179.87 2ww3 s LYS 678 N -4.19 0.43 0.02 3.15 2.20 -0.87 0.13 119.74 120.61 2ww3 s LYS 678 Ca -0.03 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.26 2ww3 s LYS 678 Cb 0.14 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2ww3 s LYS 678 CO 0.74 -0.10 -0.06 0.00 -0.36 0.00 0.00 175.35 175.56 2ww3 s ALA 679 N 0.77 0.47 -0.06 3.13 0.00 -0.84 0.44 121.76 125.67 2ww3 s ALA 679 Ca -0.05 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2ww3 s ALA 679 Cb -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2ww3 s ALA 679 CO -0.06 0.04 -0.08 0.99 0.00 0.00 0.00 175.76 176.65 2ww3 s THR 680 N -0.73 0.86 -0.21 0.00 2.01 0.47 0.10 115.64 118.14 2ww3 s THR 680 Ca -0.04 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 2ww3 s THR 680 Cb -0.06 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2ww3 s THR 680 CO 0.00 0.30 0.05 -0.76 -0.69 0.00 0.00 174.62 173.52 2ww3 s LEU 681 N 0.89 3.54 -0.38 4.42 1.43 0.91 -0.84 118.68 128.66 2ww3 s LEU 681 Ca -0.11 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2ww3 s LEU 681 Cb -0.15 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2ww3 s LEU 681 CO 0.01 0.07 0.20 -1.00 0.23 0.00 0.00 176.35 175.87 2ww3 s HIS 682 N 0.96 3.25 0.51 0.29 3.76 0.13 -0.69 115.29 123.49 2ww3 s HIS 682 Ca 0.03 -1.00 -0.07 0.00 -0.15 0.00 0.00 55.06 53.88 2ww3 s HIS 682 Cb -0.14 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 2ww3 s HIS 682 CO 0.03 -0.66 0.84 -0.06 -0.85 0.00 0.00 174.74 174.04 2ww3 s PHE 683 N 1.54 3.58 0.45 1.40 0.08 0.09 -4.83 117.98 120.29 2ww3 s PHE 683 Ca 0.02 0.93 0.34 0.00 0.12 0.00 0.00 56.93 58.33 2ww3 s PHE 683 Cb -0.19 -2.40 1.75 0.00 -0.57 0.00 0.00 43.02 41.61 2ww3 s PHE 683 CO 0.06 -0.37 2.16 0.93 -0.10 0.00 0.00 175.22 177.91 2ww3 h GLU 684 N 0.13 0.00 -0.09 0.44 5.08 -1.87 -2.07 114.58 116.20 2ww3 h GLU 684 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ww3 h GLU 684 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ww3 h GLU 684 CO 0.62 0.05 0.00 0.27 -1.00 0.00 0.00 179.01 178.95 2ww3 n ASN 685 N -3.42 0.56 0.00 1.42 2.04 -1.26 -4.88 115.26 109.72 2ww3 n ASN 685 Ca -0.02 -1.85 0.00 0.00 -0.44 0.00 0.00 54.58 52.27 2ww3 n ASN 685 Cb 0.18 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 2ww3 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww3 n GLY 686 N 0.74 1.57 3.92 4.83 0.00 -0.78 -5.05 105.19 110.42 2ww3 n GLY 686 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2ww3 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 687 N -3.19 5.72 0.05 1.61 0.01 -1.26 -4.89 114.94 112.99 2ww3 s ASN 687 Ca 0.00 0.69 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 2ww3 s ASN 687 Cb 0.00 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 2ww3 s ASN 687 CO 0.00 -0.95 -0.06 -0.44 -1.51 0.00 0.00 177.10 174.14 2ww3 s SER 688 N -4.26 0.74 -0.10 -1.22 0.01 -1.26 -0.73 113.70 106.88 2ww3 s SER 688 Ca 0.52 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2ww3 s SER 688 Cb -0.10 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.22 2ww3 s SER 688 CO 0.44 -0.29 -0.08 -0.22 0.41 0.00 0.00 173.24 173.50 2ww3 s LEU 689 N -1.86 1.23 -0.18 2.44 2.96 0.13 -1.81 118.68 121.58 2ww3 s LEU 689 Ca -0.07 -0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2ww3 s LEU 689 Cb -0.06 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 2ww3 s LEU 689 CO -0.01 -0.10 0.21 -0.69 -1.32 0.00 0.00 176.35 174.44 2ww3 s VAL 690 N 1.52 5.36 -0.41 1.68 1.01 -0.62 -0.06 120.40 128.87 2ww3 s VAL 690 Ca 0.01 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 2ww3 s VAL 690 Cb -0.13 -3.55 0.09 0.00 0.00 0.00 0.00 36.38 32.79 2ww3 s VAL 690 CO -0.06 0.41 0.23 -0.63 0.00 0.00 0.00 175.10 175.06 2ww3 s ILE 691 N 0.44 3.82 -0.29 2.22 1.01 0.11 0.26 121.20 128.78 2ww3 s ILE 691 Ca 0.12 -1.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.03 2ww3 s ILE 691 Cb -0.12 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2ww3 s ILE 691 CO 0.01 -0.56 0.13 -0.62 0.00 0.00 0.00 174.94 173.89 2ww3 s ASP 692 N 2.04 5.47 -0.43 3.58 3.68 0.11 -1.99 116.67 129.13 2ww3 s ASP 692 Ca 0.04 -0.35 0.09 0.00 2.13 0.00 0.00 52.55 54.47 2ww3 s ASP 692 Cb -0.23 -1.99 0.30 0.00 -1.45 0.00 0.00 42.92 39.55 2ww3 s ASP 692 CO -0.01 -0.12 0.69 0.00 0.13 0.00 0.00 175.17 175.86 2ww3 n ALA 693 N 4.97 2.67 0.31 3.66 0.00 0.36 -0.72 120.51 131.75 2ww3 n ALA 693 Ca -0.15 -3.69 0.20 0.00 0.00 0.00 0.00 53.44 49.81 2ww3 n ALA 693 Cb 0.50 -0.86 1.05 0.00 0.00 0.00 0.00 19.45 20.14 2ww3 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww3 h PRO 694 N 3.45 0.00 -0.65 0.00 0.13 -1.77 -0.16 132.00 133.01 2ww3 h PRO 694 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2ww3 h PRO 694 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2ww3 h PRO 694 CO 0.56 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.62 2ww3 n ASN 695 N -2.93 3.78 -4.73 1.44 5.15 -1.26 -4.98 115.26 111.73 2ww3 n ASN 695 Ca -0.02 -1.99 -0.36 0.00 -0.60 0.00 0.00 54.58 51.60 2ww3 n ASN 695 Cb 0.09 -0.43 0.07 0.00 -0.53 0.00 0.00 39.78 38.99 2ww3 n ASN 695 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ww3 s ASN 696 N -1.05 4.52 0.02 1.20 3.84 -0.07 -4.76 114.94 118.63 2ww3 s ASN 696 Ca 0.45 2.49 -0.28 0.00 0.21 0.00 0.00 52.86 55.73 2ww3 s ASN 696 Cb 0.24 -2.61 0.10 0.00 -0.55 0.00 0.00 41.25 38.43 2ww3 s ASN 696 CO 0.31 -2.05 1.23 -0.94 -2.79 0.00 0.00 177.10 172.86 2ww3 s SER 697 N -1.65 -0.04 0.32 -4.21 1.04 -1.25 -4.85 113.70 103.06 2ww3 s SER 697 Ca 0.79 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 57.00 2ww3 s SER 697 Cb -0.33 0.22 0.62 0.00 0.10 0.00 0.00 66.02 66.63 2ww3 s SER 697 CO 0.41 -0.43 1.90 0.74 0.98 0.00 0.00 173.24 176.84 2ww3 h THR 698 N 2.00 0.99 0.01 2.02 2.02 -1.96 -2.77 112.91 115.22 2ww3 h THR 698 Ca -0.27 -0.32 -0.29 0.00 0.77 0.00 0.00 66.41 66.31 2ww3 h THR 698 Cb 1.20 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2ww3 h THR 698 CO 0.30 0.17 -1.67 -0.33 0.37 0.00 0.00 175.52 174.36 2ww3 h GLU 699 N 0.92 0.01 -3.79 6.66 3.07 -1.96 -3.42 114.58 116.06 2ww3 h GLU 699 Ca 0.41 -0.02 -0.78 0.00 -0.50 0.00 0.00 59.36 58.47 2ww3 h GLU 699 Cb 0.35 0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 28.03 2ww3 h GLU 699 CO -0.17 0.56 0.86 0.09 -1.40 0.00 0.00 179.01 178.95 2ww3 n ASN 700 N -3.08 5.54 -0.40 1.42 5.03 -1.04 -4.23 115.26 118.49 2ww3 n ASN 700 Ca -0.16 -3.08 0.07 0.00 0.87 0.00 0.00 54.58 52.28 2ww3 n ASN 700 Cb 1.04 -1.42 0.02 0.00 -1.02 0.00 0.00 39.78 38.40 2ww3 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww3 n PHE 701 N 3.38 0.00 -3.09 3.10 1.16 -1.04 -3.77 117.46 117.20 2ww3 n PHE 701 Ca 0.29 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.48 2ww3 n PHE 701 Cb 0.39 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.20 2ww3 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww3 s TYR 702 N -1.58 3.81 -0.24 2.97 2.02 -0.62 -4.77 117.35 118.94 2ww3 s TYR 702 Ca 0.13 1.44 -0.25 0.00 -0.37 0.00 0.00 57.07 58.02 2ww3 s TYR 702 Cb 0.12 -2.68 -0.00 0.00 -0.40 0.00 0.00 41.96 38.99 2ww3 s TYR 702 CO 0.31 0.46 0.85 0.42 -1.57 0.00 0.00 175.55 176.01 2ww3 s ILE 703 N -0.76 4.83 -0.19 2.71 1.01 -1.26 -1.25 121.20 126.28 2ww3 s ILE 703 Ca 0.34 1.61 -0.20 0.00 0.00 0.00 0.00 60.65 62.40 2ww3 s ILE 703 Cb -0.21 -4.13 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 2ww3 s ILE 703 CO 0.22 -0.08 0.26 -0.78 0.00 0.00 0.00 174.94 174.57 2ww3 h ASP 704 N 7.64 0.06 -5.31 3.58 1.82 -1.26 -3.40 116.42 119.54 2ww3 h ASP 704 Ca -0.23 -0.58 -0.14 0.00 -0.39 0.00 0.00 57.03 55.69 2ww3 h ASP 704 Cb 1.09 -0.02 -0.15 0.00 0.68 0.00 0.00 39.33 40.94 2ww3 h ASP 704 CO 0.88 1.52 -0.59 -0.94 -1.61 0.00 0.00 179.24 178.50 2ww3 s SER 705 N -6.86 0.32 -0.06 2.28 1.04 -1.19 -4.92 113.70 104.30 2ww3 s SER 705 Ca -0.28 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.07 2ww3 s SER 705 Cb 0.06 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2ww3 s SER 705 CO 0.62 -0.70 0.17 -0.32 0.98 0.00 0.00 173.24 173.98 2ww3 s MET 706 N -3.97 0.18 0.06 4.02 1.75 -1.26 -1.60 119.30 118.47 2ww3 s MET 706 Ca 0.15 0.27 0.03 0.00 -1.25 0.00 0.00 55.69 54.88 2ww3 s MET 706 Cb 0.07 0.04 -0.03 0.00 2.84 0.00 0.00 34.83 37.75 2ww3 s MET 706 CO -0.04 -0.05 -0.09 -1.54 -0.65 0.00 0.00 175.02 172.64 2ww3 s SER 707 N 0.31 1.12 -0.42 1.11 1.04 -0.21 0.52 113.70 117.18 2ww3 s SER 707 Ca -0.02 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.82 2ww3 s SER 707 Cb -0.03 0.02 0.15 0.00 0.10 0.00 0.00 66.02 66.26 2ww3 s SER 707 CO -0.01 -0.19 0.28 0.12 0.98 0.00 0.00 173.24 174.41 2ww3 s PHE 708 N -1.57 1.35 -0.75 5.02 2.19 -0.49 -0.28 117.98 123.46 2ww3 s PHE 708 Ca -0.06 -2.17 -0.00 0.00 0.33 0.00 0.00 56.93 55.04 2ww3 s PHE 708 Cb -0.09 -1.28 0.00 0.00 -1.31 0.00 0.00 43.02 40.34 2ww3 s PHE 708 CO 0.01 -0.80 0.62 0.09 1.83 0.00 0.00 175.22 176.97 2ww3 n ASN 709 N 3.39 -2.08 0.00 6.13 5.03 -0.82 -3.72 115.26 123.19 2ww3 n ASN 709 Ca 0.17 -0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.24 2ww3 n ASN 709 Cb 0.40 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.79 2ww3 n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 710 N -1.09 2.80 3.74 7.41 0.00 -1.26 -5.05 105.19 111.75 2ww3 n GLY 710 Ca -0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2ww3 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww3 s ALA 711 N -0.07 3.41 0.39 4.61 0.00 -1.24 -5.00 121.76 123.86 2ww3 s ALA 711 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 2ww3 s ALA 711 Cb 0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 2ww3 s ALA 711 CO 0.00 -0.31 1.44 -3.47 0.00 0.00 0.00 175.76 173.42 2ww3 n ASP 712 N 2.39 3.49 -3.71 0.00 2.03 -1.26 -1.39 116.55 118.10 2ww3 n ASP 712 Ca 0.03 1.20 -0.29 0.00 0.52 0.00 0.00 54.79 56.25 2ww3 n ASP 712 Cb 0.45 -1.59 -0.13 0.00 -0.72 0.00 0.00 41.12 39.13 2ww3 n ASP 712 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ww3 s HIS 713 N -1.13 1.96 -0.98 -0.67 5.65 0.19 -4.82 115.29 115.49 2ww3 s HIS 713 Ca 0.55 -2.41 0.26 0.00 0.25 0.00 0.00 55.06 53.72 2ww3 s HIS 713 Cb -0.49 -1.87 0.74 0.00 -1.18 0.00 0.00 32.58 29.78 2ww3 s HIS 713 CO 0.62 -0.78 1.58 0.25 -0.65 0.00 0.00 174.74 175.76 2ww3 n THR 714 N 3.56 0.03 -2.00 0.89 -2.24 -1.26 -4.26 114.28 109.00 2ww3 n THR 714 Ca 0.09 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 2ww3 n THR 714 Cb 0.35 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 2ww3 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 715 N -3.01 3.42 -0.17 -0.78 1.02 -1.26 -3.77 119.74 115.18 2ww3 s LYS 715 Ca 0.12 2.03 0.03 0.00 0.02 0.00 0.00 55.97 58.16 2ww3 s LYS 715 Cb 0.18 -2.32 0.31 0.00 -0.52 0.00 0.00 37.83 35.48 2ww3 s LYS 715 CO 0.64 -0.90 1.32 0.09 -0.92 0.00 0.00 175.35 175.58 2ww3 n ASN 716 N -0.79 3.27 -3.47 2.83 5.03 -0.63 -4.89 115.26 116.62 2ww3 n ASN 716 Ca 0.09 -2.63 -0.14 0.00 0.87 0.00 0.00 54.58 52.77 2ww3 n ASN 716 Cb 0.46 -0.63 -0.04 0.00 -1.02 0.00 0.00 39.78 38.55 2ww3 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww3 s TYR 717 N -1.53 -0.56 0.07 3.10 1.13 -1.26 -0.10 117.35 118.20 2ww3 s TYR 717 Ca 0.25 0.62 0.09 0.00 -1.41 0.00 0.00 57.07 56.61 2ww3 s TYR 717 Cb 0.20 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.53 2ww3 s TYR 717 CO 0.05 -0.72 -0.23 -0.51 -2.51 0.00 0.00 175.55 171.63 2ww3 s LEU 718 N -2.11 2.22 -0.03 -3.49 1.43 0.83 -4.94 118.68 112.59 2ww3 s LEU 718 Ca -0.03 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.39 2ww3 s LEU 718 Cb -0.01 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 2ww3 s LEU 718 CO -0.04 0.17 0.23 -0.13 0.23 0.00 0.00 176.35 176.81 2ww3 s ARG 719 N -1.48 3.55 0.16 1.70 0.52 -1.26 -0.98 118.95 121.16 2ww3 s ARG 719 Ca 0.09 -0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 55.06 2ww3 s ARG 719 Cb -0.10 -3.13 0.07 0.00 0.52 0.00 0.00 34.95 32.32 2ww3 s ARG 719 CO 0.03 0.70 1.73 1.25 0.02 0.00 0.00 175.30 179.03 2ww3 h HIS 720 N 4.34 0.14 -0.73 -0.53 -0.00 -1.09 -1.59 115.15 115.69 2ww3 h HIS 720 Ca -0.52 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 59.95 2ww3 h HIS 720 Cb 1.21 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 28.55 2ww3 h HIS 720 CO 0.71 0.03 0.41 0.93 -0.00 0.00 0.00 177.93 180.02 2ww3 h GLU 721 N 0.21 0.72 -0.22 5.26 3.07 -1.95 -2.26 114.58 119.42 2ww3 h GLU 721 Ca 0.17 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 2ww3 h GLU 721 Cb 0.19 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2ww3 h GLU 721 CO -0.21 0.48 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.40 2ww3 h ASP 722 N 0.74 0.41 -0.98 1.42 3.32 -1.72 -2.77 116.42 116.85 2ww3 h ASP 722 Ca 0.34 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 57.10 2ww3 h ASP 722 Cb 0.24 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2ww3 h ASP 722 CO -0.20 0.66 0.63 -0.07 -1.72 0.00 0.00 179.24 178.53 2ww3 h LEU 723 N 0.15 1.00 -0.73 1.55 3.38 -1.19 -0.54 115.31 118.92 2ww3 h LEU 723 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2ww3 h LEU 723 Cb 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ww3 h LEU 723 CO 0.02 0.64 0.00 0.49 0.09 0.00 0.00 178.44 179.67 2ww3 n PHE 724 N -4.53 0.69 0.19 1.13 3.01 -0.86 -0.93 117.46 116.17 2ww3 n PHE 724 Ca 0.15 0.29 0.08 0.00 1.01 0.00 0.00 57.45 58.98 2ww3 n PHE 724 Cb 0.18 -0.96 0.16 0.00 -0.01 0.00 0.00 39.48 38.85 2ww3 n PHE 724 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2ww3 h LYS 725 N 0.00 0.00 0.00 -1.08 1.57 -0.82 -3.45 116.57 112.79 2ww3 h LYS 725 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ww3 h LYS 725 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2ww3 h LYS 725 CO 0.00 0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.51 2ww3 n GLY 726 N 1.02 -1.73 0.00 3.86 0.00 -0.10 -4.82 105.19 103.41 2ww3 n GLY 726 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2ww3 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 727 N 0.00 0.20 2.96 -0.02 0.00 -0.75 -4.93 105.19 102.65 2ww3 n GLY 727 Ca 0.00 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.93 2ww3 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww3 s THR 728 N 0.00 0.57 -0.20 2.61 2.01 -1.26 -1.59 115.64 117.77 2ww3 s THR 728 Ca 0.00 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 2ww3 s THR 728 Cb 0.00 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 2ww3 s THR 728 CO 0.00 0.19 0.12 -0.63 -0.69 0.00 0.00 174.62 173.62 2ww3 s ILE 729 N 0.25 5.31 -0.16 1.82 1.01 0.14 -1.94 121.20 127.63 2ww3 s ILE 729 Ca -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 2ww3 s ILE 729 Cb -0.08 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2ww3 s ILE 729 CO 0.00 0.43 -0.02 -0.75 0.00 0.00 0.00 174.94 174.60 2ww3 s LYS 730 N 0.48 3.73 -0.17 2.79 2.47 0.62 0.08 119.74 129.74 2ww3 s LYS 730 Ca 0.07 -0.49 -0.00 0.00 -1.56 0.00 0.00 55.97 54.00 2ww3 s LYS 730 Cb -0.12 -2.97 0.04 0.00 -1.46 0.00 0.00 37.83 33.32 2ww3 s LYS 730 CO -0.01 0.25 -0.07 0.08 0.16 0.00 0.00 175.35 175.76 2ww3 s VAL 731 N 0.36 1.31 -0.47 4.02 1.01 0.10 -1.04 120.40 125.68 2ww3 s VAL 731 Ca -0.03 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 2ww3 s VAL 731 Cb -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2ww3 s VAL 731 CO 0.02 0.16 0.75 -0.62 0.00 0.00 0.00 175.10 175.42 2ww3 s ASP 732 N 1.55 6.34 0.27 3.32 2.15 -0.63 -4.26 116.67 125.41 2ww3 s ASP 732 Ca 0.00 -0.34 -0.08 0.00 0.43 0.00 0.00 52.55 52.56 2ww3 s ASP 732 Cb -0.15 -2.36 -0.06 0.00 -0.30 0.00 0.00 42.92 40.04 2ww3 s ASP 732 CO -0.08 -0.93 0.58 -0.04 -0.17 0.00 0.00 175.17 174.52 2ww3 s MET 733 N 3.18 3.74 0.20 4.34 -1.94 -1.26 -0.74 119.30 126.82 2ww3 s MET 733 Ca 0.26 0.20 -0.14 0.00 -1.71 0.00 0.00 55.69 54.29 2ww3 s MET 733 Cb -0.14 -2.62 0.01 0.00 2.01 0.00 0.00 34.83 34.10 2ww3 s MET 733 CO 0.19 0.24 0.46 0.45 -0.01 0.00 0.00 175.02 176.35 2ww3 s SER 734 N -2.75 -0.14 -0.11 3.03 0.15 -0.38 -4.85 113.70 108.65 2ww3 s SER 734 Ca 0.47 -0.70 0.14 0.00 0.70 0.00 0.00 55.95 56.55 2ww3 s SER 734 Cb -0.11 0.55 0.59 0.00 -1.71 0.00 0.00 66.02 65.34 2ww3 s SER 734 CO 0.26 -1.04 1.46 -0.46 1.20 0.00 0.00 173.24 174.65 2ww3 n ASN 735 N -0.32 4.04 -4.02 5.45 6.94 -1.26 -1.59 115.26 124.49 2ww3 n ASN 735 Ca -0.07 -2.42 -0.18 0.00 -0.02 0.00 0.00 54.58 51.90 2ww3 n ASN 735 Cb 0.62 -0.54 -0.14 0.00 -2.36 0.00 0.00 39.78 37.36 2ww3 n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ww3 s ARG 736 N -1.89 0.65 0.25 -3.83 1.81 -1.26 -4.97 118.95 109.71 2ww3 s ARG 736 Ca 0.41 -0.36 -0.30 0.00 -1.72 0.00 0.00 55.73 53.77 2ww3 s ARG 736 Cb 0.27 -0.62 -0.10 0.00 -0.45 0.00 0.00 34.95 34.06 2ww3 s ARG 736 CO 0.18 0.16 1.35 -1.25 -0.68 0.00 0.00 175.30 175.07 2ww3 s PRO 737 N -0.37 4.34 -1.00 3.54 0.04 -1.26 -4.80 135.00 135.48 2ww3 s PRO 737 Ca 0.02 2.17 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 2ww3 s PRO 737 Cb -0.04 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.42 2ww3 s PRO 737 CO -0.00 -0.29 1.41 1.21 0.04 0.00 0.00 177.00 179.36 2ww3 s ASN 738 N 0.16 6.51 0.00 6.66 3.84 -1.26 -4.85 114.94 126.00 2ww3 s ASN 738 Ca 0.56 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 52.13 2ww3 s ASN 738 Cb -0.39 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 37.78 2ww3 s ASN 738 CO 0.43 -1.46 0.97 0.18 -2.79 0.00 0.00 177.10 174.43 2ww3 n LEU 739 N 8.61 0.01 -0.32 3.21 4.32 -1.26 -2.42 117.00 129.15 2ww3 n LEU 739 Ca 0.31 0.46 0.08 0.00 -0.02 0.00 0.00 56.01 56.85 2ww3 n LEU 739 Cb 0.51 -0.46 0.17 0.00 -1.62 0.00 0.00 43.42 42.01 2ww3 n LEU 739 CO 0.64 -0.46 0.54 0.59 -1.22 0.00 0.00 177.39 177.47 2ww3 n ASN 740 N -1.47 2.33 -4.32 -1.43 4.13 -1.26 -4.96 115.26 108.28 2ww3 n ASN 740 Ca -0.00 -3.32 -0.32 0.00 1.68 0.00 0.00 54.58 52.63 2ww3 n ASN 740 Cb 0.04 -0.47 -0.16 0.00 -1.54 0.00 0.00 39.78 37.65 2ww3 n ASN 740 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2ww3 s ARG 741 N -2.98 2.47 -0.77 3.52 3.52 -1.01 -4.74 118.95 118.94 2ww3 s ARG 741 Ca 0.35 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 2ww3 s ARG 741 Cb 0.31 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 2ww3 s ARG 741 CO 0.01 0.46 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 2ww3 n GLY 742 N 2.74 0.25 0.01 8.12 0.00 -1.25 -4.71 105.19 110.35 2ww3 n GLY 742 Ca -0.17 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.40 2ww3 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww3 n THR 743 N -3.72 0.00 -1.73 2.61 -2.24 -1.26 -4.55 114.28 103.40 2ww3 n THR 743 Ca -0.10 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 2ww3 n THR 743 Cb 0.51 0.38 0.04 0.00 -2.10 0.00 0.00 70.33 69.16 2ww3 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 744 N -3.25 3.00 0.26 -0.78 3.01 -1.26 -4.77 119.74 115.94 2ww3 s LYS 744 Ca -0.02 1.10 -0.02 0.00 -1.01 0.00 0.00 55.97 56.02 2ww3 s LYS 744 Cb 0.14 -1.99 0.32 0.00 -1.01 0.00 0.00 37.83 35.29 2ww3 s LYS 744 CO 0.85 -1.06 1.74 1.49 0.51 0.00 0.00 175.35 178.89 2ww3 h GLU 745 N -0.28 0.78 0.00 1.68 4.22 -1.98 -1.90 114.58 117.09 2ww3 h GLU 745 Ca -0.45 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 58.77 2ww3 h GLU 745 Cb 1.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ww3 h GLU 745 CO 0.56 0.81 0.00 -0.85 -2.18 0.00 0.00 179.01 177.35 2ww3 n GLU 746 N -4.20 0.18 0.15 1.92 0.28 -1.26 -2.00 120.64 115.71 2ww3 n GLU 746 Ca 0.02 0.50 0.12 0.00 -0.16 0.00 0.00 57.16 57.64 2ww3 n GLU 746 Cb 0.32 -1.91 0.09 0.00 1.43 0.00 0.00 31.44 31.37 2ww3 n GLU 746 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2ww3 h ASP 747 N 0.00 0.00 -3.93 -1.84 3.32 -1.68 -3.47 116.42 108.83 2ww3 h ASP 747 Ca 0.00 -0.01 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 2ww3 h ASP 747 Cb 0.24 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.85 2ww3 h ASP 747 CO 0.00 0.01 0.54 -0.04 -1.72 0.00 0.00 179.24 178.03 2ww3 s MET 748 N -3.29 4.10 1.14 3.56 -1.94 -0.85 -1.60 119.30 120.44 2ww3 s MET 748 Ca 0.03 1.95 -0.19 0.00 -1.71 0.00 0.00 55.69 55.77 2ww3 s MET 748 Cb 0.08 -2.77 0.28 0.00 2.01 0.00 0.00 34.83 34.43 2ww3 s MET 748 CO 0.73 -0.31 1.22 -2.30 -0.01 0.00 0.00 175.02 174.35 2ww3 n PRO 749 N 0.24 -2.39 -1.98 2.03 -0.02 -1.26 -4.92 135.00 126.70 2ww3 n PRO 749 Ca 0.03 -1.92 -0.41 0.00 -2.02 0.00 0.00 63.50 59.18 2ww3 n PRO 749 Cb 0.45 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 2ww3 n PRO 749 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2ww3 s TYR 750 N -3.43 2.95 -0.05 6.00 5.04 -1.26 -5.02 117.35 121.58 2ww3 s TYR 750 Ca 0.74 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 2ww3 s TYR 750 Cb -0.05 -3.85 0.02 0.00 0.35 0.00 0.00 41.96 38.44 2ww3 s TYR 750 CO 0.55 -2.69 -0.02 -1.12 -1.34 0.00 0.00 175.55 170.92 2ww3 s SER 751 N 0.21 1.05 0.35 4.32 0.01 -1.26 -4.54 113.70 113.83 2ww3 s SER 751 Ca 0.58 -0.10 0.13 0.00 1.31 0.00 0.00 55.95 57.87 2ww3 s SER 751 Cb -0.43 -0.41 0.95 0.00 0.21 0.00 0.00 66.02 66.35 2ww3 s SER 751 CO 0.47 -0.10 1.77 0.15 0.41 0.00 0.00 173.24 175.93 2ww3 h PHE 752 N 7.54 0.85 0.00 2.43 3.57 -0.53 0.10 116.94 130.89 2ww3 h PHE 752 Ca -0.33 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.13 2ww3 h PHE 752 Cb 1.14 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2ww3 h PHE 752 CO 0.49 0.11 -0.31 0.66 -2.23 0.00 0.00 178.31 177.04 2ww3 h SER 753 N 0.54 0.00 0.12 0.41 4.64 -1.93 -0.42 113.55 116.92 2ww3 h SER 753 Ca 0.60 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.72 2ww3 h SER 753 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ww3 h SER 753 CO -0.36 0.31 -0.76 0.11 -0.87 0.00 0.00 176.83 175.26 2ww3 h LYS 754 N 0.00 0.54 -0.40 4.77 1.57 -1.41 0.18 116.57 121.82 2ww3 h LYS 754 Ca -0.00 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 2ww3 h LYS 754 Cb 0.86 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 2ww3 h LYS 754 CO 0.04 1.08 0.21 1.49 -0.57 0.00 0.00 179.45 181.70 2ww3 h GLU 755 N 0.37 0.41 0.00 3.15 4.81 -0.81 -1.71 114.58 120.80 2ww3 h GLU 755 Ca -0.04 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2ww3 h GLU 755 Cb 1.35 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2ww3 h GLU 755 CO 0.14 0.27 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.31 2ww3 h LEU 756 N 0.43 0.00 -1.34 1.64 3.38 -1.00 -3.52 115.31 114.90 2ww3 h LEU 756 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2ww3 h LEU 756 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ww3 h LEU 756 CO -0.11 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.12