#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww0 s ASP 21 N 0.00 2.42 -0.01 4.39 2.15 -1.26 -5.04 116.67 119.32 2ww0 s ASP 21 Ca 0.00 -0.59 0.21 0.00 0.43 0.00 0.00 52.55 52.60 2ww0 s ASP 21 Cb 0.00 -0.42 -0.26 0.00 -0.30 0.00 0.00 42.92 41.94 2ww0 s ASP 21 CO 0.00 -0.30 0.71 0.79 -0.17 0.00 0.00 175.17 176.20 2ww0 n TRP 22 N 5.16 0.00 0.29 -5.34 8.01 -1.26 -4.32 117.44 119.98 2ww0 n TRP 22 Ca -0.08 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.25 2ww0 n TRP 22 Cb 0.48 -0.19 0.84 0.00 -2.01 0.00 0.00 31.31 30.44 2ww0 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww0 h THR 23 N 0.00 0.66 -0.01 -0.99 1.35 -1.93 -0.81 112.91 111.18 2ww0 h THR 23 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2ww0 h THR 23 Cb 0.67 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2ww0 h THR 23 CO 0.00 0.00 0.06 0.06 -0.25 0.00 0.00 175.52 175.39 2ww0 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.03 -0.98 115.11 119.89 2ww0 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww0 h GLN 24 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2ww0 h GLN 24 CO 0.00 0.00 -0.96 0.66 0.09 0.00 0.00 178.83 178.62 2ww0 n TYR 25 N -3.19 0.44 -2.61 0.06 4.01 -0.31 -4.89 117.16 110.68 2ww0 n TYR 25 Ca -0.03 0.13 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 2ww0 n TYR 25 Cb 0.13 -0.58 -0.02 0.00 -0.31 0.00 0.00 39.34 38.55 2ww0 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww0 s VAL 26 N -3.23 4.60 -0.44 -0.72 1.01 -0.37 -4.28 120.40 116.96 2ww0 s VAL 26 Ca 0.03 1.92 -0.06 0.00 0.00 0.00 0.00 61.98 63.87 2ww0 s VAL 26 Cb 0.13 -4.24 0.12 0.00 0.00 0.00 0.00 36.38 32.39 2ww0 s VAL 26 CO 0.78 -0.14 0.27 0.21 0.00 0.00 0.00 175.10 176.22 2ww0 s ASN 27 N 1.35 5.46 0.00 3.32 2.47 -1.26 -4.84 114.94 121.44 2ww0 s ASN 27 Ca 0.47 -2.00 0.11 0.00 0.42 0.00 0.00 52.86 51.87 2ww0 s ASN 27 Cb -0.17 -1.91 0.54 0.00 -1.45 0.00 0.00 41.25 38.26 2ww0 s ASN 27 CO 0.10 -0.61 1.30 -2.65 -3.72 0.00 0.00 177.10 171.52 2ww0 n PRO 28 N 4.71 0.11 0.00 0.43 -0.02 -1.26 -1.67 135.00 137.29 2ww0 n PRO 28 Ca -0.04 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2ww0 n PRO 28 Cb 0.41 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.68 2ww0 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww0 n LEU 29 N -1.36 0.81 -4.64 2.45 4.77 -1.26 -3.60 117.00 114.18 2ww0 n LEU 29 Ca 0.04 -0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 2ww0 n LEU 29 Cb 0.10 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2ww0 n LEU 29 CO 0.09 0.17 1.54 -0.32 -1.33 0.00 0.00 177.39 177.54 2ww0 s MET 30 N -2.74 3.80 0.00 3.23 1.75 -0.67 -1.22 119.30 123.44 2ww0 s MET 30 Ca 0.18 2.09 0.00 0.00 -1.25 0.00 0.00 55.69 56.70 2ww0 s MET 30 Cb 0.18 -4.14 0.00 0.00 2.84 0.00 0.00 34.83 33.71 2ww0 s MET 30 CO 0.62 -1.31 0.00 0.41 -0.65 0.00 0.00 175.02 174.08 2ww0 n GLY 31 N 4.79 0.74 0.05 2.11 0.00 0.33 -4.79 105.19 108.42 2ww0 n GLY 31 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 2ww0 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 32 N 0.00 0.50 -3.60 1.61 3.41 -0.36 -1.61 113.62 113.58 2ww0 n SER 32 Ca 0.00 -0.26 -0.41 0.00 -0.26 0.00 0.00 58.87 57.94 2ww0 n SER 32 Cb 0.00 0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 2ww0 n SER 32 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ww0 n GLN 33 N -1.32 5.08 -4.37 4.33 7.27 -0.72 -0.71 117.38 126.93 2ww0 n GLN 33 Ca 0.07 -4.20 -0.27 0.00 0.07 0.00 0.00 57.00 52.68 2ww0 n GLN 33 Cb 0.33 -2.54 -0.11 0.00 2.41 0.00 0.00 30.24 30.33 2ww0 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww0 s SER 34 N -0.68 3.72 0.27 1.69 0.01 -1.26 -4.43 113.70 113.02 2ww0 s SER 34 Ca 0.44 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.99 2ww0 s SER 34 Cb 0.18 -0.42 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 2ww0 s SER 34 CO -0.11 0.12 0.02 0.42 0.41 0.00 0.00 173.24 174.11 2ww0 s THR 35 N -1.63 1.11 0.27 1.44 -4.23 -0.51 -4.93 115.64 107.16 2ww0 s THR 35 Ca 0.22 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2ww0 s THR 35 Cb -0.08 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.46 2ww0 s THR 35 CO 0.11 -0.17 1.79 0.15 -0.54 0.00 0.00 174.62 175.96 2ww0 h PHE 36 N 2.31 0.91 0.03 3.99 3.57 -2.02 -2.72 116.94 123.00 2ww0 h PHE 36 Ca -0.39 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 60.93 2ww0 h PHE 36 Cb 1.23 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2ww0 h PHE 36 CO 0.58 0.28 -0.96 0.93 -2.23 0.00 0.00 178.31 176.90 2ww0 h GLU 37 N 0.75 0.15 -3.37 1.11 5.08 -1.96 -3.40 114.58 112.94 2ww0 h GLU 37 Ca 0.48 -0.20 -0.38 0.00 -1.00 0.00 0.00 59.36 58.26 2ww0 h GLU 37 Cb 0.61 0.07 -0.39 0.00 0.50 0.00 0.00 28.75 29.53 2ww0 h GLU 37 CO -0.32 1.00 -0.74 -1.17 -1.00 0.00 0.00 179.01 176.77 2ww0 s LEU 38 N -7.21 0.22 -0.02 1.33 2.96 -1.03 -4.08 118.68 110.86 2ww0 s LEU 38 Ca -0.02 0.06 -0.19 0.00 -0.22 0.00 0.00 54.13 53.76 2ww0 s LEU 38 Cb 0.10 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.55 2ww0 s LEU 38 CO 0.83 -0.24 0.54 -0.55 -1.32 0.00 0.00 176.35 175.61 2ww0 s SER 39 N 2.12 6.90 -0.19 3.68 0.15 -1.24 -1.42 113.70 123.69 2ww0 s SER 39 Ca 0.05 1.07 0.16 0.00 0.70 0.00 0.00 55.95 57.92 2ww0 s SER 39 Cb -0.12 -2.33 0.44 0.00 -1.71 0.00 0.00 66.02 62.30 2ww0 s SER 39 CO -0.03 0.13 1.33 0.35 1.20 0.00 0.00 173.24 176.22 2ww0 n THR 40 N 2.68 2.21 0.00 6.45 -2.24 -1.26 -3.44 114.28 118.68 2ww0 n THR 40 Ca -0.08 -2.25 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 2ww0 n THR 40 Cb 0.51 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2ww0 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww0 n GLY 41 N -0.95 4.05 3.53 3.38 0.00 -1.09 -1.03 105.19 113.08 2ww0 n GLY 41 Ca 0.22 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 2ww0 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 42 N 0.00 -3.28 -4.78 1.61 3.02 -0.83 -1.35 115.26 109.65 2ww0 n ASN 42 Ca 0.00 -0.63 -0.23 0.00 -0.03 0.00 0.00 54.58 53.69 2ww0 n ASN 42 Cb 0.00 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.20 2ww0 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww0 s THR 43 N -3.38 2.52 0.29 3.41 -4.23 -0.63 -4.55 115.64 109.07 2ww0 s THR 43 Ca 0.20 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 2ww0 s THR 43 Cb -0.09 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 2ww0 s THR 43 CO 0.75 -0.03 0.01 -0.72 -0.54 0.00 0.00 174.62 174.09 2ww0 s TYR 44 N -2.54 1.90 -0.81 3.99 1.13 -1.26 -4.12 117.35 115.65 2ww0 s TYR 44 Ca 0.43 -0.86 -0.25 0.00 -1.41 0.00 0.00 57.07 54.98 2ww0 s TYR 44 Cb 0.01 -1.17 -0.01 0.00 -1.10 0.00 0.00 41.96 39.68 2ww0 s TYR 44 CO 0.24 0.10 1.73 -2.14 -2.51 0.00 0.00 175.55 172.98 2ww0 s PRO 45 N -3.83 2.85 -0.77 -3.49 0.02 -1.24 -4.90 135.00 123.65 2ww0 s PRO 45 Ca 0.33 -0.14 -0.26 0.00 0.02 0.00 0.00 61.00 60.94 2ww0 s PRO 45 Cb 0.07 -4.77 0.01 0.00 0.02 0.00 0.00 34.50 29.83 2ww0 s PRO 45 CO 0.13 -2.79 1.51 0.00 -0.33 0.00 0.00 177.00 175.52 2ww0 s ALA 46 N 8.24 2.51 -0.51 -1.55 0.00 -1.26 -4.42 121.76 124.76 2ww0 s ALA 46 Ca 0.60 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 2ww0 s ALA 46 Cb -0.08 -4.34 0.04 0.00 0.00 0.00 0.00 23.12 18.74 2ww0 s ALA 46 CO 0.07 -3.63 0.89 0.42 0.00 0.00 0.00 175.76 173.51 2ww0 s ILE 47 N 6.82 4.48 0.20 0.00 -1.09 -0.23 -4.79 121.20 126.59 2ww0 s ILE 47 Ca 0.48 0.33 -0.23 0.00 -2.23 0.00 0.00 60.65 59.00 2ww0 s ILE 47 Cb -0.08 -4.46 0.05 0.00 -1.58 0.00 0.00 42.46 36.38 2ww0 s ILE 47 CO 0.11 -0.97 0.81 0.00 -1.23 0.00 0.00 174.94 173.65 2ww0 s ALA 48 N 3.70 -1.46 0.64 9.38 0.00 -0.74 -1.98 121.76 131.31 2ww0 s ALA 48 Ca 0.30 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2ww0 s ALA 48 Cb -0.12 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2ww0 s ALA 48 CO 0.21 -0.99 1.04 1.03 0.00 0.00 0.00 175.76 177.05 2ww0 s ARG 49 N -3.61 3.35 0.06 0.00 1.81 -1.26 -4.57 118.95 114.73 2ww0 s ARG 49 Ca 0.10 0.63 -0.36 0.00 -1.72 0.00 0.00 55.73 54.38 2ww0 s ARG 49 Cb -0.03 -2.07 -0.15 0.00 -0.45 0.00 0.00 34.95 32.24 2ww0 s ARG 49 CO 0.02 -0.71 1.51 -2.30 -0.68 0.00 0.00 175.30 173.14 2ww0 n PRO 50 N -2.81 1.59 -1.90 3.54 -0.02 -1.26 -1.33 135.00 132.79 2ww0 n PRO 50 Ca 0.06 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 2ww0 n PRO 50 Cb 0.55 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 2ww0 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww0 n TRP 51 N 3.48 -0.60 -1.67 6.00 8.01 -0.09 -4.90 117.44 127.67 2ww0 n TRP 51 Ca 0.19 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.97 2ww0 n TRP 51 Cb 0.23 -3.28 0.02 0.00 -2.01 0.00 0.00 31.31 26.27 2ww0 n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ww0 n GLY 52 N -0.59 0.28 0.25 6.99 0.00 -0.44 -0.80 105.19 110.87 2ww0 n GLY 52 Ca -0.19 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ww0 h MET 53 N 1.78 0.67 -5.27 1.61 4.05 -1.49 -3.37 114.93 112.91 2ww0 h MET 53 Ca -0.47 -0.30 -0.68 0.00 -0.28 0.00 0.00 59.70 57.97 2ww0 h MET 53 Cb 1.31 -0.02 -0.33 0.00 -0.80 0.00 0.00 31.60 31.76 2ww0 h MET 53 CO 0.58 0.89 -0.87 -0.80 0.23 0.00 0.00 176.91 176.95 2ww0 s ASN 54 N -6.80 3.15 0.07 1.39 0.01 -1.04 -4.88 114.94 106.84 2ww0 s ASN 54 Ca -0.08 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.50 2ww0 s ASN 54 Cb 0.13 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.31 2ww0 s ASN 54 CO 0.83 0.12 0.22 -0.36 -1.51 0.00 0.00 177.10 176.40 2ww0 s PHE 55 N 0.59 3.52 0.00 2.20 0.08 -1.01 -4.78 117.98 118.57 2ww0 s PHE 55 Ca -0.12 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.23 2ww0 s PHE 55 Cb -0.17 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 2ww0 s PHE 55 CO 0.03 0.58 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.95 2ww0 s TRP 56 N -1.53 1.78 -0.01 0.36 0.52 -0.84 -0.73 118.94 118.49 2ww0 s TRP 56 Ca 0.35 -0.35 -0.13 0.00 0.02 0.00 0.00 56.10 55.99 2ww0 s TRP 56 Cb -0.13 -1.12 0.02 0.00 -1.15 0.00 0.00 33.47 31.09 2ww0 s TRP 56 CO 0.28 0.00 0.27 -0.08 0.02 0.00 0.00 176.95 177.44 2ww0 s THR 57 N -0.55 0.06 0.44 2.01 -1.32 -0.64 -1.07 115.64 114.57 2ww0 s THR 57 Ca 0.08 -0.52 -0.25 0.00 -1.21 0.00 0.00 61.69 59.79 2ww0 s THR 57 Cb -0.08 -0.57 -0.08 0.00 -1.51 0.00 0.00 72.50 70.26 2ww0 s THR 57 CO -0.00 -0.28 1.35 -2.16 -2.21 0.00 0.00 174.62 171.31 2ww0 s PRO 58 N -1.32 3.79 -0.25 7.08 0.04 -1.26 -1.02 135.00 142.05 2ww0 s PRO 58 Ca -0.14 2.24 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2ww0 s PRO 58 Cb -0.06 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.85 2ww0 s PRO 58 CO 0.04 -0.67 -0.07 -1.14 0.04 0.00 0.00 177.00 175.20 2ww0 s GLN 59 N -2.39 2.75 -0.22 4.56 0.74 0.38 -4.61 119.66 120.87 2ww0 s GLN 59 Ca 0.60 -1.03 0.04 0.00 0.05 0.00 0.00 55.36 55.02 2ww0 s GLN 59 Cb -0.40 -2.97 -0.20 0.00 1.10 0.00 0.00 33.01 30.54 2ww0 s GLN 59 CO 0.51 -0.43 -0.04 0.25 -0.55 0.00 0.00 175.29 175.03 2ww0 n THR 60 N 4.64 1.52 -1.07 -0.34 -2.24 0.15 -0.64 114.28 116.31 2ww0 n THR 60 Ca -0.16 -0.65 -0.31 0.00 -2.27 0.00 0.00 64.05 60.67 2ww0 n THR 60 Cb 0.46 -1.27 0.13 0.00 -2.10 0.00 0.00 70.33 67.54 2ww0 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww0 s GLY 61 N -6.13 1.66 0.61 3.38 0.00 0.68 -4.70 107.32 102.83 2ww0 s GLY 61 Ca -0.27 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.59 2ww0 s GLY 61 CO 0.68 0.69 1.05 0.54 0.00 0.00 0.00 173.10 176.05 2ww0 s LYS 62 N -4.82 3.31 -0.01 2.90 1.02 -1.26 -4.90 119.74 115.98 2ww0 s LYS 62 Ca 0.63 1.09 -0.37 0.00 0.02 0.00 0.00 55.97 57.34 2ww0 s LYS 62 Cb -0.19 -2.04 -0.16 0.00 -0.52 0.00 0.00 37.83 34.92 2ww0 s LYS 62 CO 0.57 -0.81 1.50 -0.12 -0.92 0.00 0.00 175.35 175.58 2ww0 n MET 63 N -2.29 1.33 0.00 1.68 0.00 -1.26 -1.74 117.12 114.84 2ww0 n MET 63 Ca 0.08 0.48 0.00 0.00 -0.00 0.00 0.00 57.70 58.26 2ww0 n MET 63 Cb 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 31.59 2ww0 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww0 n GLY 64 N 3.17 1.77 3.67 -5.12 0.00 -1.26 -5.04 105.19 102.38 2ww0 n GLY 64 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2ww0 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww0 s ASP 65 N -1.63 7.11 0.46 1.61 -1.08 -0.71 -4.92 116.67 117.51 2ww0 s ASP 65 Ca 0.00 1.56 0.22 0.00 -0.52 0.00 0.00 52.55 53.81 2ww0 s ASP 65 Cb 0.00 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 40.13 2ww0 s ASP 65 CO 0.00 -0.60 1.87 1.23 0.52 0.00 0.00 175.17 178.20 2ww0 h GLY 66 N 8.80 0.58 -7.68 2.66 0.00 -1.90 -3.14 103.07 102.38 2ww0 h GLY 66 Ca -0.27 -0.12 -0.71 0.00 0.00 0.00 0.00 47.33 46.23 2ww0 h GLY 66 CO 0.92 -0.01 1.47 -0.98 0.00 0.00 0.00 176.54 177.95 2ww0 s TRP 67 N -5.27 3.27 -0.25 5.60 0.51 -1.26 -4.36 118.94 117.17 2ww0 s TRP 67 Ca -0.07 -1.89 0.19 0.00 -2.12 0.00 0.00 56.10 52.21 2ww0 s TRP 67 Cb 0.22 -4.42 0.13 0.00 -0.81 0.00 0.00 33.47 28.59 2ww0 s TRP 67 CO 0.78 -1.52 1.39 -0.56 -0.51 0.00 0.00 176.95 176.53 2ww0 h GLN 68 N 7.55 0.00 -3.40 4.98 3.07 -1.91 -3.33 115.11 122.07 2ww0 h GLN 68 Ca 0.32 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.71 2ww0 h GLN 68 Cb 0.90 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.09 2ww0 h GLN 68 CO 1.28 0.26 -0.74 -0.47 0.09 0.00 0.00 178.83 179.26 2ww0 s TYR 69 N -3.08 0.06 -0.04 0.06 5.04 -1.26 0.34 117.35 118.47 2ww0 s TYR 69 Ca 0.04 0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2ww0 s TYR 69 Cb 0.07 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.99 2ww0 s TYR 69 CO 0.73 -0.15 -0.13 0.95 -1.34 0.00 0.00 175.55 175.61 2ww0 s THR 70 N 1.75 1.08 0.54 4.34 -4.23 -1.26 -4.78 115.64 113.08 2ww0 s THR 70 Ca -0.00 -0.51 0.26 0.00 -1.18 0.00 0.00 61.69 60.26 2ww0 s THR 70 Cb -0.12 -0.95 0.40 0.00 1.34 0.00 0.00 72.50 73.16 2ww0 s THR 70 CO -0.03 0.33 1.99 0.22 -0.54 0.00 0.00 174.62 176.59 2ww0 h TYR 71 N 6.42 0.00 -0.08 3.99 5.03 -1.28 -0.41 116.97 130.64 2ww0 h TYR 71 Ca -0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.98 2ww0 h TYR 71 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2ww0 h TYR 71 CO 0.45 0.00 0.00 0.25 -1.32 0.00 0.00 178.16 177.54 2ww0 n THR 72 N -4.26 0.08 -2.51 1.81 -2.24 -1.26 -4.91 114.28 100.99 2ww0 n THR 72 Ca 0.09 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 2ww0 n THR 72 Cb 0.60 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 2ww0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww0 s ALA 73 N -1.92 3.03 -0.11 6.98 0.00 -0.17 -4.97 121.76 124.61 2ww0 s ALA 73 Ca 0.35 0.71 0.17 0.00 0.00 0.00 0.00 51.96 53.19 2ww0 s ALA 73 Cb 0.20 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 2ww0 s ALA 73 CO 0.31 -0.29 0.65 0.09 0.00 0.00 0.00 175.76 176.53 2ww0 n ASN 74 N -0.29 0.67 -4.26 0.00 3.02 -1.26 -4.97 115.26 108.17 2ww0 n ASN 74 Ca 0.06 0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.67 2ww0 n ASN 74 Cb 0.50 0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 39.92 2ww0 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ww0 s LYS 75 N -2.84 1.20 -0.13 3.52 1.02 -1.26 -1.42 119.74 119.83 2ww0 s LYS 75 Ca -0.05 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 2ww0 s LYS 75 Cb 0.09 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.97 2ww0 s LYS 75 CO 0.82 0.34 -0.05 0.42 -0.92 0.00 0.00 175.35 175.96 2ww0 s ILE 76 N -1.02 3.78 -0.51 2.17 1.01 0.07 -4.36 121.20 122.34 2ww0 s ILE 76 Ca 0.06 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2ww0 s ILE 76 Cb -0.09 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 39.81 2ww0 s ILE 76 CO 0.03 0.53 0.77 -2.11 0.00 0.00 0.00 174.94 174.16 2ww0 n ARG 77 N 3.18 0.56 0.00 2.79 1.85 0.19 -1.38 116.66 123.85 2ww0 n ARG 77 Ca -0.18 -1.04 0.00 0.00 -1.00 0.00 0.00 57.85 55.64 2ww0 n ARG 77 Cb 0.53 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 2ww0 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww0 n GLY 78 N 0.16 1.40 3.24 2.89 0.00 -1.23 -4.78 105.19 106.87 2ww0 n GLY 78 Ca 0.03 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 2ww0 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 79 N -2.00 3.10 -0.00 1.61 0.40 0.77 -0.47 117.98 121.39 2ww0 s PHE 79 Ca 0.00 -1.42 0.02 0.00 -0.60 0.00 0.00 56.93 54.93 2ww0 s PHE 79 Cb 0.00 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2ww0 s PHE 79 CO 0.00 -0.69 -0.02 0.21 0.70 0.00 0.00 175.22 175.42 2ww0 s LYS 80 N 1.37 2.73 -0.20 0.44 2.20 -0.19 -1.23 119.74 124.87 2ww0 s LYS 80 Ca 0.00 -0.63 -0.21 0.00 -0.36 0.00 0.00 55.97 54.77 2ww0 s LYS 80 Cb -0.17 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.49 2ww0 s LYS 80 CO -0.02 0.62 0.64 -1.14 -0.36 0.00 0.00 175.35 175.09 2ww0 s GLN 81 N -1.49 4.22 0.11 4.03 0.74 0.53 -1.62 119.66 126.17 2ww0 s GLN 81 Ca 0.19 0.64 0.04 0.00 0.05 0.00 0.00 55.36 56.27 2ww0 s GLN 81 Cb -0.11 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 2ww0 s GLN 81 CO 0.09 -0.24 -0.10 -0.08 -0.55 0.00 0.00 175.29 174.41 2ww0 s THR 82 N 1.92 0.97 0.00 -0.34 -1.32 0.09 -3.35 115.64 113.61 2ww0 s THR 82 Ca 0.29 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2ww0 s THR 82 Cb -0.16 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 2ww0 s THR 82 CO 0.10 -0.62 0.49 1.41 -2.21 0.00 0.00 174.62 173.80 2ww0 n HIS 83 N 0.37 0.00 -1.68 9.09 8.25 -1.25 -2.42 115.22 127.59 2ww0 n HIS 83 Ca -0.15 -0.11 -0.47 0.00 -0.26 0.00 0.00 57.72 56.73 2ww0 n HIS 83 Cb 0.58 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 2ww0 n HIS 83 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2ww0 n GLN 84 N -0.11 2.17 0.11 -0.41 7.27 -1.26 -4.88 117.38 120.26 2ww0 n GLN 84 Ca 0.00 0.79 0.12 0.00 0.07 0.00 0.00 57.00 57.98 2ww0 n GLN 84 Cb 0.19 -2.60 0.05 0.00 2.41 0.00 0.00 30.24 30.29 2ww0 n GLN 84 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2ww0 h PRO 85 N 7.76 0.00 -1.66 3.69 0.13 -1.90 -3.49 132.00 136.54 2ww0 h PRO 85 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2ww0 h PRO 85 Cb 1.26 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 2ww0 h PRO 85 CO 0.92 0.00 0.46 0.45 -0.23 0.00 0.00 178.00 179.60 2ww0 s SER 86 N -5.18 -0.44 0.42 1.44 0.15 -1.26 -4.58 113.70 104.25 2ww0 s SER 86 Ca 0.02 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.28 2ww0 s SER 86 Cb 0.10 0.42 0.91 0.00 -1.71 0.00 0.00 66.02 65.74 2ww0 s SER 86 CO 0.76 -0.38 2.07 1.55 1.20 0.00 0.00 173.24 178.45 2ww0 h PRO 87 N 2.84 0.47 -0.32 5.44 0.13 -1.80 0.29 132.00 139.04 2ww0 h PRO 87 Ca -0.21 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 2ww0 h PRO 87 Cb 1.16 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ww0 h PRO 87 CO 0.30 0.31 -0.36 -1.49 -0.23 0.00 0.00 178.00 176.54 2ww0 h TRP 88 N 0.48 0.98 -0.06 1.56 4.06 -1.94 -3.16 115.95 117.87 2ww0 h TRP 88 Ca 0.13 -0.31 -0.17 0.00 2.06 0.00 0.00 58.89 60.61 2ww0 h TRP 88 Cb -0.05 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 2ww0 h TRP 88 CO 0.00 1.10 -0.70 0.82 -3.56 0.00 0.00 178.44 176.10 2ww0 h ILE 89 N 0.59 1.40 -1.11 1.49 1.08 -1.90 -3.51 117.51 115.56 2ww0 h ILE 89 Ca 0.05 -2.16 0.09 0.00 -0.39 0.00 0.00 64.86 62.45 2ww0 h ILE 89 Cb 0.95 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.80 2ww0 h ILE 89 CO 0.09 0.64 -0.12 -3.20 -0.69 0.00 0.00 178.15 174.86 2ww0 n ASN 90 N -3.82 -3.09 -4.91 1.72 2.85 0.07 -4.83 115.26 103.26 2ww0 n ASN 90 Ca -0.03 0.37 -0.21 0.00 -0.11 0.00 0.00 54.58 54.60 2ww0 n ASN 90 Cb 0.69 -1.03 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 2ww0 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww0 s ASP 91 N -4.08 5.07 0.17 1.20 -1.08 -1.26 -4.38 116.67 112.30 2ww0 s ASP 91 Ca 0.00 -0.78 -0.18 0.00 -0.52 0.00 0.00 52.55 51.07 2ww0 s ASP 91 Cb 0.00 -0.38 0.04 0.00 -1.46 0.00 0.00 42.92 41.12 2ww0 s ASP 91 CO 0.00 -0.78 0.51 -0.72 0.52 0.00 0.00 175.17 174.70 2ww0 s TYR 92 N -2.51 -0.22 -1.18 -5.34 1.13 -1.26 -2.48 117.35 105.48 2ww0 s TYR 92 Ca 0.48 -0.09 -0.03 0.00 -1.41 0.00 0.00 57.07 56.02 2ww0 s TYR 92 Cb -0.04 0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 2ww0 s TYR 92 CO 0.28 -0.85 0.90 0.41 -2.51 0.00 0.00 175.55 173.78 2ww0 n GLY 93 N -0.32 -0.62 3.11 5.49 0.00 -1.23 -3.80 105.19 107.82 2ww0 n GLY 93 Ca -0.13 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2ww0 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 94 N -5.27 2.10 0.26 1.61 -2.07 -1.26 -4.51 119.66 110.53 2ww0 s GLN 94 Ca 0.17 -0.60 -0.13 0.00 -1.82 0.00 0.00 55.36 52.98 2ww0 s GLN 94 Cb -0.03 -1.70 0.00 0.00 -1.09 0.00 0.00 33.01 30.19 2ww0 s GLN 94 CO 0.76 0.13 0.51 -0.59 -1.32 0.00 0.00 175.29 174.78 2ww0 s PHE 95 N 0.40 0.37 0.10 9.60 -0.71 -1.21 -4.60 117.98 121.93 2ww0 s PHE 95 Ca -0.13 -0.74 -0.02 0.00 -1.04 0.00 0.00 56.93 55.00 2ww0 s PHE 95 Cb -0.15 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 2ww0 s PHE 95 CO 0.05 -1.05 0.05 -1.54 -1.34 0.00 0.00 175.22 171.39 2ww0 s SER 96 N -3.03 0.34 0.00 1.98 1.04 -0.35 -0.34 113.70 113.34 2ww0 s SER 96 Ca 0.22 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 55.58 2ww0 s SER 96 Cb -0.01 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2ww0 s SER 96 CO 0.10 -0.70 -0.10 -0.51 0.98 0.00 0.00 173.24 173.01 2ww0 s ILE 97 N -3.99 0.76 -0.15 -1.02 2.07 -0.36 -0.08 121.20 118.42 2ww0 s ILE 97 Ca 0.17 -0.53 -0.05 0.00 -1.41 0.00 0.00 60.65 58.84 2ww0 s ILE 97 Cb 0.07 -0.66 0.07 0.00 0.13 0.00 0.00 42.46 42.07 2ww0 s ILE 97 CO -0.03 0.13 0.29 -0.32 -1.91 0.00 0.00 174.94 173.11 2ww0 s MET 98 N -0.45 0.18 0.32 3.50 -2.45 0.26 -0.16 119.30 120.51 2ww0 s MET 98 Ca 0.02 0.78 -0.24 0.00 -1.25 0.00 0.00 55.69 55.00 2ww0 s MET 98 Cb -0.05 -0.02 -0.10 0.00 1.25 0.00 0.00 34.83 35.92 2ww0 s MET 98 CO -0.00 -0.30 0.90 -1.25 1.05 0.00 0.00 175.02 175.42 2ww0 s PRO 99 N 2.45 4.46 0.36 4.11 0.04 -1.26 0.22 135.00 145.38 2ww0 s PRO 99 Ca 0.01 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 2ww0 s PRO 99 Cb -0.12 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2ww0 s PRO 99 CO -0.09 0.26 0.49 0.96 0.04 0.00 0.00 177.00 178.65 2ww0 s ILE 100 N -1.68 0.00 0.01 0.56 -4.36 -0.61 -4.93 121.20 110.19 2ww0 s ILE 100 Ca 0.50 -1.61 -0.10 0.00 -0.26 0.00 0.00 60.65 59.19 2ww0 s ILE 100 Cb -0.17 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.86 2ww0 s ILE 100 CO 0.22 0.00 0.20 -0.69 0.24 0.00 0.00 174.94 174.90 2ww0 s VAL 101 N -2.91 0.08 0.00 8.37 1.01 -1.26 -1.46 120.40 124.23 2ww0 s VAL 101 Ca 0.31 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2ww0 s VAL 101 Cb -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2ww0 s VAL 101 CO 0.22 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2ww0 n GLY 102 N 1.23 1.12 3.74 4.51 0.00 -0.13 -4.90 105.19 110.77 2ww0 n GLY 102 Ca -0.22 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 2ww0 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 103 N 0.00 4.78 -0.59 1.61 -1.52 -1.26 -4.80 119.66 117.88 2ww0 s GLN 103 Ca 0.00 1.53 -0.27 0.00 -1.95 0.00 0.00 55.36 54.66 2ww0 s GLN 103 Cb 0.00 -3.29 0.01 0.00 -0.22 0.00 0.00 33.01 29.50 2ww0 s GLN 103 CO 0.00 0.39 1.51 -1.25 -0.25 0.00 0.00 175.29 175.69 2ww0 s PRO 104 N -0.86 3.13 -0.02 2.91 0.04 -1.26 -4.99 135.00 133.94 2ww0 s PRO 104 Ca 0.43 0.41 0.06 0.00 0.04 0.00 0.00 61.00 61.94 2ww0 s PRO 104 Cb -0.26 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 2ww0 s PRO 104 CO 0.33 -2.16 -0.20 0.14 0.04 0.00 0.00 177.00 175.15 2ww0 s VAL 105 N 6.74 1.59 -0.20 -0.36 -7.23 -1.26 -5.02 120.40 114.65 2ww0 s VAL 105 Ca 0.54 -0.85 0.16 0.00 -1.81 0.00 0.00 61.98 60.02 2ww0 s VAL 105 Cb -0.11 -1.33 -0.24 0.00 0.56 0.00 0.00 36.38 35.26 2ww0 s VAL 105 CO 0.23 0.45 0.04 0.33 -0.31 0.00 0.00 175.10 175.84 2ww0 n PHE 106 N 2.70 0.00 -1.51 2.82 7.35 -1.26 -4.72 117.46 122.84 2ww0 n PHE 106 Ca -0.16 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.04 2ww0 n PHE 106 Cb 0.53 -0.98 -0.04 0.00 0.35 0.00 0.00 39.48 39.34 2ww0 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww0 n ASP 107 N -2.78 0.35 0.00 -2.13 -0.08 -1.26 -4.82 116.55 105.83 2ww0 n ASP 107 Ca -0.34 1.15 0.11 0.00 -1.51 0.00 0.00 54.79 54.20 2ww0 n ASP 107 Cb 1.13 -1.11 0.50 0.00 2.34 0.00 0.00 41.12 43.98 2ww0 n ASP 107 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ww0 n GLU 108 N 1.27 0.03 -0.13 -0.67 0.28 -1.26 -1.65 120.64 118.49 2ww0 n GLU 108 Ca 0.15 0.10 -0.23 0.00 -0.16 0.00 0.00 57.16 57.03 2ww0 n GLU 108 Cb 0.24 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.50 2ww0 n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ww0 n GLU 109 N -1.48 0.63 0.14 3.44 1.02 -1.26 -4.08 120.64 119.04 2ww0 n GLU 109 Ca 0.06 0.19 0.06 0.00 -0.02 0.00 0.00 57.16 57.45 2ww0 n GLU 109 Cb 0.26 -1.51 0.52 0.00 -0.02 0.00 0.00 31.44 30.70 2ww0 n GLU 109 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ww0 h LYS 110 N -0.40 0.25 0.00 3.49 1.57 -1.92 -2.10 116.57 117.45 2ww0 h LYS 110 Ca -0.63 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 2ww0 h LYS 110 Cb 1.79 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.04 2ww0 h LYS 110 CO -0.23 0.19 -0.27 2.89 -0.57 0.00 0.00 179.45 181.46 2ww0 n ARG 111 N -4.48 0.12 -1.92 3.15 1.85 -0.66 -4.93 116.66 109.78 2ww0 n ARG 111 Ca -0.00 0.06 -0.34 0.00 -1.00 0.00 0.00 57.85 56.57 2ww0 n ARG 111 Cb 0.10 -1.60 0.04 0.00 -1.05 0.00 0.00 32.46 29.94 2ww0 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww0 s ALA 112 N -3.06 2.51 0.03 2.89 0.00 -0.79 -4.93 121.76 118.41 2ww0 s ALA 112 Ca 0.11 0.77 0.06 0.00 0.00 0.00 0.00 51.96 52.90 2ww0 s ALA 112 Cb 0.16 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2ww0 s ALA 112 CO 0.63 -1.18 -0.17 0.45 0.00 0.00 0.00 175.76 175.50 2ww0 s SER 113 N -2.06 2.00 0.72 0.00 0.15 -0.48 -4.95 113.70 109.09 2ww0 s SER 113 Ca 0.72 -0.43 -0.16 0.00 0.70 0.00 0.00 55.95 56.77 2ww0 s SER 113 Cb -0.25 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2ww0 s SER 113 CO 0.36 0.12 1.24 0.79 1.20 0.00 0.00 173.24 176.95 2ww0 n TRP 114 N 2.10 1.62 -3.89 3.44 7.02 -1.26 -0.75 117.44 125.71 2ww0 n TRP 114 Ca -0.17 0.41 -0.10 0.00 -1.02 0.00 0.00 57.50 56.63 2ww0 n TRP 114 Cb 0.54 -2.20 -0.01 0.00 -2.42 0.00 0.00 31.31 27.23 2ww0 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww0 s PHE 115 N -1.70 0.26 0.03 -5.99 -0.71 -0.51 -1.26 117.98 108.10 2ww0 s PHE 115 Ca 0.79 -0.77 -0.02 0.00 -1.04 0.00 0.00 56.93 55.88 2ww0 s PHE 115 Cb -0.34 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 2ww0 s PHE 115 CO 0.45 -1.35 0.02 0.00 -1.34 0.00 0.00 175.22 173.00 2ww0 s ALA 116 N -2.99 0.07 0.42 1.99 0.00 -1.26 -4.81 121.76 115.18 2ww0 s ALA 116 Ca 0.18 -0.61 0.14 0.00 0.00 0.00 0.00 51.96 51.68 2ww0 s ALA 116 Cb -0.04 0.18 0.93 0.00 0.00 0.00 0.00 23.12 24.20 2ww0 s ALA 116 CO 0.12 -0.23 1.94 0.45 0.00 0.00 0.00 175.76 178.04 2ww0 h HIS 117 N 4.15 0.00 0.00 0.00 3.86 -1.95 0.32 115.15 121.52 2ww0 h HIS 117 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2ww0 h HIS 117 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2ww0 h HIS 117 CO 0.60 0.24 0.00 1.63 0.86 0.00 0.00 177.93 181.26 2ww0 n LYS 118 N -4.22 0.08 -0.36 2.45 5.02 -1.26 -1.55 118.16 118.32 2ww0 n LYS 118 Ca -0.02 0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2ww0 n LYS 118 Cb 0.30 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.03 2ww0 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 119 N -0.30 3.58 3.10 0.72 0.00 0.11 -4.98 105.19 107.42 2ww0 n GLY 119 Ca 0.04 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2ww0 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 120 N -2.19 1.07 -0.18 1.61 2.12 -0.60 -1.76 118.70 118.77 2ww0 s GLU 120 Ca 0.36 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 2ww0 s GLU 120 Cb 0.27 -1.03 0.05 0.00 0.26 0.00 0.00 34.13 33.67 2ww0 s GLU 120 CO 0.11 0.28 -0.02 0.08 -0.54 0.00 0.00 175.26 175.17 2ww0 s VAL 121 N -0.35 0.95 -0.23 3.70 1.01 0.92 -4.93 120.40 121.46 2ww0 s VAL 121 Ca 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2ww0 s VAL 121 Cb -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2ww0 s VAL 121 CO -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 175.10 175.06 2ww0 s ALA 122 N 1.69 2.77 0.17 5.51 0.00 -1.26 -0.75 121.76 129.88 2ww0 s ALA 122 Ca -0.00 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.74 2ww0 s ALA 122 Cb -0.16 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 2ww0 s ALA 122 CO -0.07 -0.52 -0.02 0.95 0.00 0.00 0.00 175.76 176.09 2ww0 s THR 123 N 1.44 0.81 0.47 0.00 -4.23 0.00 -4.49 115.64 109.64 2ww0 s THR 123 Ca 0.05 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.71 2ww0 s THR 123 Cb -0.15 -2.05 0.31 0.00 1.34 0.00 0.00 72.50 71.95 2ww0 s THR 123 CO -0.04 -0.55 2.05 -0.65 -0.54 0.00 0.00 174.62 174.89 2ww0 h PRO 124 N 2.71 0.26 -0.01 3.99 0.11 -1.88 -2.92 132.00 134.26 2ww0 h PRO 124 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2ww0 h PRO 124 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ww0 h PRO 124 CO 0.63 0.17 -0.24 2.48 -0.21 0.00 0.00 178.00 180.84 2ww0 n TYR 125 N -4.48 0.00 -3.65 0.65 4.11 -1.26 -1.79 117.16 110.74 2ww0 n TYR 125 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.84 2ww0 n TYR 125 Cb 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.52 2ww0 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww0 s TYR 126 N -1.68 -0.84 -0.03 -3.48 5.04 -1.10 -4.30 117.35 110.95 2ww0 s TYR 126 Ca 0.14 1.84 0.01 0.00 -2.44 0.00 0.00 57.07 56.62 2ww0 s TYR 126 Cb 0.12 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.86 2ww0 s TYR 126 CO 0.33 -0.42 -0.04 -0.47 -1.34 0.00 0.00 175.55 173.61 2ww0 s TYR 127 N 1.03 0.63 0.01 4.97 5.04 -0.51 -0.82 117.35 127.70 2ww0 s TYR 127 Ca -0.05 -0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 2ww0 s TYR 127 Cb -0.05 -0.55 -0.01 0.00 0.35 0.00 0.00 41.96 41.70 2ww0 s TYR 127 CO -0.10 -0.14 -0.08 0.21 -1.34 0.00 0.00 175.55 174.11 2ww0 s LYS 128 N 0.69 0.57 -0.13 4.97 2.20 0.07 -0.90 119.74 127.22 2ww0 s LYS 128 Ca -0.09 -0.45 -0.24 0.00 -0.36 0.00 0.00 55.97 54.83 2ww0 s LYS 128 Cb -0.12 -0.50 0.06 0.00 -1.51 0.00 0.00 37.83 35.76 2ww0 s LYS 128 CO -0.00 0.12 0.60 0.54 -0.36 0.00 0.00 175.35 176.25 2ww0 s VAL 129 N -0.59 0.01 -0.27 4.02 0.11 -0.65 -0.05 120.40 122.97 2ww0 s VAL 129 Ca -0.01 -0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.85 2ww0 s VAL 129 Cb -0.05 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2ww0 s VAL 129 CO 0.00 -0.04 0.25 -0.47 -3.33 0.00 0.00 175.10 171.52 2ww0 s TYR 130 N -0.48 3.24 -0.57 1.54 5.04 -0.72 -1.25 117.35 124.15 2ww0 s TYR 130 Ca -0.06 0.24 -0.21 0.00 -2.44 0.00 0.00 57.07 54.60 2ww0 s TYR 130 Cb -0.03 -2.43 0.06 0.00 0.35 0.00 0.00 41.96 39.91 2ww0 s TYR 130 CO 0.05 -0.15 0.80 -0.51 -1.34 0.00 0.00 175.55 174.40 2ww0 s LEU 131 N 1.77 4.67 0.40 6.97 1.43 0.12 -4.62 118.68 129.42 2ww0 s LEU 131 Ca 0.10 -0.88 0.18 0.00 -1.03 0.00 0.00 54.13 52.50 2ww0 s LEU 131 Cb -0.16 -2.51 0.85 0.00 0.03 0.00 0.00 46.19 44.40 2ww0 s LEU 131 CO 0.10 -1.16 1.84 0.00 0.23 0.00 0.00 176.35 177.36 2ww0 h ALA 132 N 9.25 1.22 -0.00 4.21 0.00 -1.47 0.12 119.26 132.58 2ww0 h ALA 132 Ca -0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2ww0 h ALA 132 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ww0 h ALA 132 CO 1.07 0.41 -0.28 0.39 0.00 0.00 0.00 179.25 180.84 2ww0 n GLU 133 N -3.80 0.10 -0.00 0.00 1.02 -1.26 -3.72 120.64 112.98 2ww0 n GLU 133 Ca -0.01 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.11 2ww0 n GLU 133 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 2ww0 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww0 n HIS 134 N -1.42 0.00 -3.49 -0.32 8.25 -0.88 -4.94 115.22 112.41 2ww0 n HIS 134 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 2ww0 n HIS 134 Cb 0.33 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.51 2ww0 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww0 n ASP 135 N -1.18 -3.57 -4.15 0.41 2.03 0.35 -4.71 116.55 105.72 2ww0 n ASP 135 Ca 0.01 -0.59 -0.26 0.00 0.52 0.00 0.00 54.79 54.46 2ww0 n ASP 135 Cb 0.08 -5.08 -0.16 0.00 -0.72 0.00 0.00 41.12 35.23 2ww0 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww0 s ILE 136 N -3.35 1.48 -0.22 5.18 1.01 -1.10 -3.59 121.20 120.61 2ww0 s ILE 136 Ca 0.21 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2ww0 s ILE 136 Cb -0.09 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2ww0 s ILE 136 CO 0.73 0.42 0.11 -0.69 0.00 0.00 0.00 174.94 175.52 2ww0 s VAL 137 N -0.08 5.02 -0.11 2.92 1.01 -0.92 0.12 120.40 128.36 2ww0 s VAL 137 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2ww0 s VAL 137 Cb -0.11 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2ww0 s VAL 137 CO 0.02 0.39 -0.05 -0.89 0.00 0.00 0.00 175.10 174.56 2ww0 s THR 138 N 0.84 3.80 -0.00 3.92 2.01 -0.38 -0.66 115.64 125.17 2ww0 s THR 138 Ca 0.06 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2ww0 s THR 138 Cb -0.13 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 2ww0 s THR 138 CO 0.03 0.55 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.79 2ww0 s GLU 139 N -0.25 0.87 0.01 4.92 2.02 -0.53 -1.64 118.70 124.09 2ww0 s GLU 139 Ca 0.04 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2ww0 s GLU 139 Cb -0.13 -0.84 -0.01 0.00 0.10 0.00 0.00 34.13 33.26 2ww0 s GLU 139 CO 0.02 0.23 -0.05 0.00 0.02 0.00 0.00 175.26 175.48 2ww0 s MET 140 N -0.38 0.43 -0.06 1.61 0.23 -0.07 -0.40 119.30 120.65 2ww0 s MET 140 Ca 0.03 -0.30 0.02 0.00 -1.03 0.00 0.00 55.69 54.41 2ww0 s MET 140 Cb -0.05 -0.36 0.02 0.00 -1.53 0.00 0.00 34.83 32.91 2ww0 s MET 140 CO -0.00 0.09 -0.09 0.95 -2.03 0.00 0.00 175.02 173.94 2ww0 s THR 141 N -0.39 0.92 0.30 3.16 -4.23 -0.50 -1.43 115.64 113.47 2ww0 s THR 141 Ca -0.01 -0.35 0.08 0.00 -1.18 0.00 0.00 61.69 60.23 2ww0 s THR 141 Cb -0.04 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 2ww0 s THR 141 CO -0.00 0.31 0.16 -2.16 -0.54 0.00 0.00 174.62 172.38 2ww0 s PRO 142 N 0.74 2.56 0.00 3.99 0.04 -1.26 0.10 135.00 141.16 2ww0 s PRO 142 Ca -0.14 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.55 2ww0 s PRO 142 Cb -0.15 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2ww0 s PRO 142 CO 0.03 0.23 0.00 0.25 0.04 0.00 0.00 177.00 177.54 2ww0 n THR 143 N -1.15 0.00 -0.28 1.26 -2.24 0.45 -4.69 114.28 107.63 2ww0 n THR 143 Ca -0.05 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 2ww0 n THR 143 Cb 0.60 -0.29 0.16 0.00 -2.10 0.00 0.00 70.33 68.69 2ww0 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww0 h GLU 144 N 0.00 1.13 0.00 -0.78 5.08 -1.94 -3.33 114.58 114.74 2ww0 h GLU 144 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ww0 h GLU 144 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2ww0 h GLU 144 CO 0.00 0.80 0.00 0.54 -1.00 0.00 0.00 179.01 179.35 2ww0 n ARG 145 N -4.36 3.84 -4.51 2.33 1.74 -1.26 -1.89 116.66 112.55 2ww0 n ARG 145 Ca 0.09 -0.08 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 2ww0 n ARG 145 Cb 0.08 -0.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.95 2ww0 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww0 s ALA 146 N -0.57 2.77 0.02 7.54 0.00 -1.25 -3.44 121.76 126.83 2ww0 s ALA 146 Ca 0.00 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.23 2ww0 s ALA 146 Cb 0.00 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2ww0 s ALA 146 CO 0.00 -0.30 0.44 0.54 0.00 0.00 0.00 175.76 176.44 2ww0 s VAL 147 N -3.22 0.05 -0.15 0.00 0.11 -0.10 0.17 120.40 117.26 2ww0 s VAL 147 Ca 0.28 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2ww0 s VAL 147 Cb 0.05 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2ww0 s VAL 147 CO 0.14 -0.21 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.35 2ww0 s LEU 148 N -1.75 2.66 -0.06 2.54 2.96 0.11 -1.01 118.68 124.13 2ww0 s LEU 148 Ca -0.08 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2ww0 s LEU 148 Cb -0.02 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2ww0 s LEU 148 CO 0.01 0.11 0.06 -0.36 -1.32 0.00 0.00 176.35 174.85 2ww0 s PHE 149 N 0.65 3.31 -0.16 5.38 0.40 -0.16 -1.41 117.98 125.99 2ww0 s PHE 149 Ca -0.07 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2ww0 s PHE 149 Cb -0.15 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2ww0 s PHE 149 CO 0.02 0.56 -0.11 0.50 0.70 0.00 0.00 175.22 176.90 2ww0 s ARG 150 N -1.23 2.02 -0.25 0.44 3.52 0.47 -1.10 118.95 122.82 2ww0 s ARG 150 Ca 0.17 -0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 55.07 2ww0 s ARG 150 Cb -0.12 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 2ww0 s ARG 150 CO 0.07 -0.33 0.13 -0.06 -0.81 0.00 0.00 175.30 174.30 2ww0 s PHE 151 N 1.50 3.21 -0.42 5.12 0.40 0.31 -1.46 117.98 126.65 2ww0 s PHE 151 Ca 0.02 -0.00 -0.15 0.00 -0.60 0.00 0.00 56.93 56.20 2ww0 s PHE 151 Cb -0.14 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.14 2ww0 s PHE 151 CO -0.09 -0.11 0.33 0.99 0.70 0.00 0.00 175.22 177.04 2ww0 s THR 152 N 1.34 5.23 0.36 0.64 2.01 0.17 -1.17 115.64 124.22 2ww0 s THR 152 Ca 0.06 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 2ww0 s THR 152 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2ww0 s THR 152 CO 0.06 -0.35 0.63 -0.36 -0.69 0.00 0.00 174.62 173.91 2ww0 s PHE 153 N 1.74 3.51 0.86 4.92 0.08 0.05 -2.17 117.98 126.96 2ww0 s PHE 153 Ca 0.06 0.63 -0.09 0.00 0.12 0.00 0.00 56.93 57.65 2ww0 s PHE 153 Cb -0.19 -2.12 0.17 0.00 -0.57 0.00 0.00 43.02 40.31 2ww0 s PHE 153 CO 0.10 0.02 1.18 -1.25 -0.10 0.00 0.00 175.22 175.17 2ww0 s PRO 154 N -4.10 1.06 -0.22 0.24 0.04 -1.24 -0.79 135.00 129.99 2ww0 s PRO 154 Ca 0.44 -0.76 -0.29 0.00 0.04 0.00 0.00 61.00 60.43 2ww0 s PRO 154 Cb -0.10 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2ww0 s PRO 154 CO 0.36 -2.01 1.33 -2.00 0.04 0.00 0.00 177.00 174.72 2ww0 s GLU 155 N -5.56 4.06 -0.10 4.56 2.12 -1.26 -4.31 118.70 118.21 2ww0 s GLU 155 Ca 0.71 1.52 -0.27 0.00 0.36 0.00 0.00 54.97 57.29 2ww0 s GLU 155 Cb -0.04 -3.85 0.06 0.00 0.26 0.00 0.00 34.13 30.57 2ww0 s GLU 155 CO 0.49 -0.93 0.64 1.21 -0.54 0.00 0.00 175.26 176.12 2ww0 s ASN 156 N 2.58 -0.62 0.17 -1.70 3.84 -0.62 -4.88 114.94 113.72 2ww0 s ASN 156 Ca 0.58 0.81 0.26 0.00 0.21 0.00 0.00 52.86 54.72 2ww0 s ASN 156 Cb -0.20 0.73 0.74 0.00 -0.55 0.00 0.00 41.25 41.96 2ww0 s ASN 156 CO 0.20 -0.49 1.69 0.47 -2.79 0.00 0.00 177.10 176.17 2ww0 n ASP 157 N 1.42 0.73 -3.60 -4.21 8.00 -1.26 -0.68 116.55 116.94 2ww0 n ASP 157 Ca -0.18 0.46 -0.28 0.00 0.71 0.00 0.00 54.79 55.51 2ww0 n ASP 157 Cb 0.56 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 2ww0 n ASP 157 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2ww0 s HIS 158 N -3.10 2.04 -0.12 1.24 3.76 -1.26 -4.17 115.29 113.67 2ww0 s HIS 158 Ca 0.10 -2.69 -0.04 0.00 -0.15 0.00 0.00 55.06 52.27 2ww0 s HIS 158 Cb 0.13 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2ww0 s HIS 158 CO 0.62 -0.72 0.03 -1.12 -0.85 0.00 0.00 174.74 172.70 2ww0 s SER 159 N -0.46 5.47 0.25 1.40 0.01 -0.75 -0.95 113.70 118.66 2ww0 s SER 159 Ca 0.29 0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.74 2ww0 s SER 159 Cb -0.01 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 2ww0 s SER 159 CO -0.17 0.31 0.00 -0.31 0.41 0.00 0.00 173.24 173.48 2ww0 s TYR 160 N -0.45 1.64 -0.07 2.43 1.51 -0.54 -1.07 117.35 120.79 2ww0 s TYR 160 Ca 0.09 -0.92 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 2ww0 s TYR 160 Cb -0.12 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 2ww0 s TYR 160 CO 0.02 -0.02 -0.12 0.08 -1.11 0.00 0.00 175.55 174.40 2ww0 s VAL 161 N -3.39 1.14 -0.16 0.71 1.01 0.30 -1.57 120.40 118.44 2ww0 s VAL 161 Ca 0.30 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2ww0 s VAL 161 Cb 0.06 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 2ww0 s VAL 161 CO 0.10 0.36 0.18 -0.69 0.00 0.00 0.00 175.10 175.05 2ww0 s VAL 162 N 0.82 5.40 -0.15 2.92 1.01 0.13 -2.14 120.40 128.39 2ww0 s VAL 162 Ca -0.12 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2ww0 s VAL 162 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ww0 s VAL 162 CO 0.02 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 2ww0 s VAL 163 N -0.10 2.51 -0.23 2.92 1.01 0.99 -0.57 120.40 126.93 2ww0 s VAL 163 Ca 0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2ww0 s VAL 163 Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2ww0 s VAL 163 CO 0.02 0.53 -0.10 -0.62 0.00 0.00 0.00 175.10 174.92 2ww0 s ASP 164 N 0.75 4.01 0.00 3.32 -1.08 0.88 -1.14 116.67 123.42 2ww0 s ASP 164 Ca -0.07 -0.85 0.27 0.00 -0.52 0.00 0.00 52.55 51.38 2ww0 s ASP 164 Cb -0.16 -1.60 0.91 0.00 -1.46 0.00 0.00 42.92 40.61 2ww0 s ASP 164 CO 0.01 -0.09 1.66 0.00 0.52 0.00 0.00 175.17 177.27 2ww0 n ALA 165 N 4.63 2.96 -0.41 3.66 0.00 -0.81 -1.21 120.51 129.33 2ww0 n ALA 165 Ca -0.17 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 52.96 2ww0 n ALA 165 Cb 0.47 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 2ww0 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww0 n PHE 166 N -0.73 -1.05 -1.91 0.00 3.01 -1.26 -4.51 117.46 111.01 2ww0 n PHE 166 Ca 0.13 0.53 0.00 0.00 1.01 0.00 0.00 57.45 59.12 2ww0 n PHE 166 Cb 0.33 -0.95 0.00 0.00 -0.01 0.00 0.00 39.48 38.84 2ww0 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww0 n ASP 167 N -2.36 0.21 -1.20 4.37 5.68 -1.26 -3.91 116.55 118.08 2ww0 n ASP 167 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.14 2ww0 n ASP 167 Cb 0.19 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.12 2ww0 n ASP 167 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ww0 n LYS 168 N 0.00 -1.02 -0.04 0.11 4.76 -1.00 -3.65 118.16 117.31 2ww0 n LYS 168 Ca 0.00 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 2ww0 n LYS 168 Cb 0.00 -5.08 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 2ww0 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww0 n GLY 169 N -1.19 0.33 3.31 0.72 0.00 0.17 -4.65 105.19 103.88 2ww0 n GLY 169 Ca -0.15 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2ww0 n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 170 N 0.00 -0.98 -3.76 1.61 3.41 -0.08 -3.59 113.62 110.23 2ww0 n SER 170 Ca 0.00 -3.10 -0.13 0.00 -0.26 0.00 0.00 58.87 55.38 2ww0 n SER 170 Cb 0.00 2.05 -0.10 0.00 -0.26 0.00 0.00 64.21 65.89 2ww0 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2ww0 s TYR 171 N -3.17 -0.32 -0.00 7.33 5.04 -0.44 -2.40 117.35 123.39 2ww0 s TYR 171 Ca 0.36 0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 55.69 2ww0 s TYR 171 Cb 0.01 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.44 2ww0 s TYR 171 CO 0.26 -0.22 0.12 -1.50 -1.34 0.00 0.00 175.55 172.86 2ww0 s ILE 172 N -0.14 0.07 -0.21 3.14 1.10 -0.59 -0.61 121.20 123.96 2ww0 s ILE 172 Ca -0.03 -0.60 -0.13 0.00 -0.51 0.00 0.00 60.65 59.39 2ww0 s ILE 172 Cb -0.03 -0.37 0.07 0.00 0.15 0.00 0.00 42.46 42.27 2ww0 s ILE 172 CO 0.01 -0.33 0.53 -0.75 -2.11 0.00 0.00 174.94 172.29 2ww0 s LYS 173 N -1.14 0.53 -0.21 3.50 2.20 0.43 -1.03 119.74 124.03 2ww0 s LYS 173 Ca -0.12 0.95 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 2ww0 s LYS 173 Cb -0.07 0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.27 2ww0 s LYS 173 CO 0.01 -0.15 0.12 0.42 -0.36 0.00 0.00 175.35 175.40 2ww0 s ILE 174 N 1.39 5.23 -0.64 5.43 1.01 0.50 -1.40 121.20 132.72 2ww0 s ILE 174 Ca -0.09 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2ww0 s ILE 174 Cb -0.07 -3.40 0.16 0.00 0.01 0.00 0.00 42.46 39.16 2ww0 s ILE 174 CO -0.14 0.41 0.43 -0.63 0.00 0.00 0.00 174.94 175.02 2ww0 s ILE 175 N 0.60 3.29 0.24 2.92 1.09 0.14 -4.89 121.20 124.58 2ww0 s ILE 175 Ca 0.07 -3.43 -0.06 0.00 -1.10 0.00 0.00 60.65 56.13 2ww0 s ILE 175 Cb -0.12 -3.17 0.20 0.00 -1.06 0.00 0.00 42.46 38.31 2ww0 s ILE 175 CO 0.01 -0.90 1.83 -0.65 -0.10 0.00 0.00 174.94 175.13 2ww0 h PRO 176 N 6.43 0.85 0.00 2.79 0.11 -1.97 -1.87 132.00 138.35 2ww0 h PRO 176 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2ww0 h PRO 176 Cb 0.88 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2ww0 h PRO 176 CO 0.72 0.56 0.00 0.39 -0.21 0.00 0.00 178.00 179.47 2ww0 n GLU 177 N -4.68 0.23 -0.09 1.05 4.71 -1.26 -0.98 120.64 119.62 2ww0 n GLU 177 Ca 0.12 0.04 0.01 0.00 -0.01 0.00 0.00 57.16 57.32 2ww0 n GLU 177 Cb 0.19 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.14 2ww0 n GLU 177 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2ww0 n GLU 178 N -1.05 1.10 -4.03 3.49 1.02 -0.77 -5.00 120.64 115.40 2ww0 n GLU 178 Ca 0.06 -1.16 -0.30 0.00 -0.02 0.00 0.00 57.16 55.73 2ww0 n GLU 178 Cb 0.04 -0.79 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 2ww0 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww0 n ASN 179 N -0.34 -2.36 -4.09 1.62 3.02 -0.15 -4.73 115.26 108.23 2ww0 n ASN 179 Ca 0.02 -0.95 -0.19 0.00 -0.03 0.00 0.00 54.58 53.43 2ww0 n ASN 179 Cb 0.47 -3.18 -0.14 0.00 -0.61 0.00 0.00 39.78 36.33 2ww0 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww0 s LYS 180 N -6.67 0.85 -0.08 3.52 2.20 -0.83 -0.72 119.74 118.01 2ww0 s LYS 180 Ca 0.40 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 2ww0 s LYS 180 Cb -0.21 -0.82 0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2ww0 s LYS 180 CO 0.89 0.21 -0.18 0.42 -0.36 0.00 0.00 175.35 176.33 2ww0 s ILE 181 N -0.66 1.57 0.29 5.43 1.01 0.36 -0.69 121.20 128.50 2ww0 s ILE 181 Ca 0.01 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2ww0 s ILE 181 Cb -0.07 -1.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 2ww0 s ILE 181 CO 0.01 0.45 -0.11 0.27 0.00 0.00 0.00 174.94 175.55 2ww0 s ILE 182 N 0.51 2.01 0.00 2.92 -4.36 -0.49 0.22 121.20 122.01 2ww0 s ILE 182 Ca -0.17 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.00 2ww0 s ILE 182 Cb -0.17 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.13 2ww0 s ILE 182 CO 0.06 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.51 2ww0 n GLY 183 N -0.62 -0.88 3.01 6.27 0.00 -0.76 -0.42 105.19 111.78 2ww0 n GLY 183 Ca -0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2ww0 n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 184 N -2.00 0.44 0.13 1.61 -0.85 0.22 -0.50 117.35 116.40 2ww0 s TYR 184 Ca 0.00 -0.44 0.09 0.00 -0.52 0.00 0.00 57.07 56.20 2ww0 s TYR 184 Cb 0.00 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 2ww0 s TYR 184 CO 0.00 -0.12 -0.18 -0.08 -1.52 0.00 0.00 175.55 173.66 2ww0 s THR 185 N -1.21 2.83 0.00 -3.49 -1.32 -0.37 -1.33 115.64 110.76 2ww0 s THR 185 Ca -0.11 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 2ww0 s THR 185 Cb -0.09 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.59 2ww0 s THR 185 CO -0.00 0.06 0.00 0.35 -2.21 0.00 0.00 174.62 172.82 2ww0 n THR 186 N 0.69 0.00 -1.62 5.08 -2.24 -1.24 -1.40 114.28 113.55 2ww0 n THR 186 Ca -0.15 -0.09 -0.53 0.00 -2.27 0.00 0.00 64.05 61.01 2ww0 n THR 186 Cb 0.53 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 2ww0 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww0 n ARG 187 N -0.40 1.16 -4.14 -0.78 0.63 -1.24 -4.75 116.66 107.14 2ww0 n ARG 187 Ca 0.00 0.42 -0.17 0.00 -0.92 0.00 0.00 57.85 57.18 2ww0 n ARG 187 Cb 0.00 -2.08 -0.05 0.00 0.45 0.00 0.00 32.46 30.78 2ww0 n ARG 187 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ww0 n ASN 188 N 3.18 -1.12 -0.24 6.15 6.94 -1.26 -3.58 115.26 125.32 2ww0 n ASN 188 Ca 0.20 -3.07 0.09 0.00 -0.02 0.00 0.00 54.58 51.78 2ww0 n ASN 188 Cb 0.18 2.24 0.16 0.00 -2.36 0.00 0.00 39.78 40.00 2ww0 n ASN 188 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2ww0 n SER 189 N -1.63 2.35 0.00 0.53 7.64 -1.04 -4.96 113.62 116.52 2ww0 n SER 189 Ca 0.04 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.68 2ww0 n SER 189 Cb 0.61 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2ww0 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww0 n GLY 190 N -1.31 0.99 3.01 0.23 0.00 -1.26 -5.03 105.19 101.82 2ww0 n GLY 190 Ca 0.17 -2.16 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 2ww0 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 191 N -0.02 -0.27 3.12 -0.02 0.00 -1.26 -4.60 105.19 102.15 2ww0 n GLY 191 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2ww0 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww0 s VAL 192 N -3.17 0.90 0.73 1.61 -7.23 -1.26 0.16 120.40 112.14 2ww0 s VAL 192 Ca 0.38 -1.15 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 2ww0 s VAL 192 Cb -0.17 -0.89 0.04 0.00 0.56 0.00 0.00 36.38 35.92 2ww0 s VAL 192 CO 0.47 -0.23 1.09 -2.84 -0.31 0.00 0.00 175.10 173.28 2ww0 s PRO 193 N -1.54 2.46 0.41 4.82 0.02 -1.25 -4.92 135.00 134.99 2ww0 s PRO 193 Ca -0.04 1.22 0.16 0.00 0.02 0.00 0.00 61.00 62.36 2ww0 s PRO 193 Cb -0.09 -1.92 1.05 0.00 0.02 0.00 0.00 34.50 33.56 2ww0 s PRO 193 CO 0.01 -1.49 1.86 1.49 -0.33 0.00 0.00 177.00 178.54 2ww0 h GLU 194 N -0.76 0.42 -0.58 5.54 4.57 -1.97 -1.47 114.58 120.34 2ww0 h GLU 194 Ca -0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2ww0 h GLU 194 Cb 1.23 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2ww0 h GLU 194 CO 0.52 0.28 0.00 0.27 -1.18 0.00 0.00 179.01 178.91 2ww0 n ASN 195 N -4.52 2.61 -4.72 1.04 6.94 -1.26 -4.96 115.26 110.38 2ww0 n ASN 195 Ca 0.19 -2.23 -0.42 0.00 -0.02 0.00 0.00 54.58 52.10 2ww0 n ASN 195 Cb 0.66 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 2ww0 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww0 n PHE 196 N 0.43 2.78 -3.74 -2.53 7.35 -0.56 -4.99 117.46 116.20 2ww0 n PHE 196 Ca 0.13 0.08 -0.13 0.00 -0.76 0.00 0.00 57.45 56.76 2ww0 n PHE 196 Cb 0.51 -2.66 -0.09 0.00 0.35 0.00 0.00 39.48 37.58 2ww0 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww0 s LYS 197 N 0.82 0.58 -0.27 -4.13 1.02 -1.26 -4.82 119.74 111.68 2ww0 s LYS 197 Ca 0.73 0.15 -0.05 0.00 0.02 0.00 0.00 55.97 56.83 2ww0 s LYS 197 Cb -0.50 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.09 2ww0 s LYS 197 CO 0.36 -0.13 0.02 1.21 -0.92 0.00 0.00 175.35 175.89 2ww0 s ASN 198 N -0.62 4.78 -0.15 2.83 3.04 -0.50 -4.51 114.94 119.82 2ww0 s ASN 198 Ca -0.07 -0.76 -0.19 0.00 0.04 0.00 0.00 52.86 51.87 2ww0 s ASN 198 Cb -0.04 -1.79 -0.04 0.00 -1.54 0.00 0.00 41.25 37.85 2ww0 s ASN 198 CO 0.03 -0.16 0.54 -0.31 -3.04 0.00 0.00 177.10 174.15 2ww0 s TYR 199 N 1.43 3.46 0.10 0.43 1.51 0.20 -1.23 117.35 123.24 2ww0 s TYR 199 Ca 0.02 0.90 0.06 0.00 -1.01 0.00 0.00 57.07 57.04 2ww0 s TYR 199 Cb -0.17 -2.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 2ww0 s TYR 199 CO -0.01 0.03 -0.16 -0.59 -1.11 0.00 0.00 175.55 173.71 2ww0 s PHE 200 N 1.13 1.47 -0.01 2.71 -0.12 0.35 -0.62 117.98 122.88 2ww0 s PHE 200 Ca 0.27 -0.47 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 2ww0 s PHE 200 Cb -0.16 -0.80 -0.01 0.00 -0.63 0.00 0.00 43.02 41.43 2ww0 s PHE 200 CO 0.11 0.14 -0.12 0.42 -0.05 0.00 0.00 175.22 175.72 2ww0 s ILE 201 N -1.48 0.96 -0.10 -4.49 1.01 -0.51 -1.84 121.20 114.76 2ww0 s ILE 201 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2ww0 s ILE 201 Cb -0.09 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.60 2ww0 s ILE 201 CO 0.03 0.28 -0.05 -0.63 0.00 0.00 0.00 174.94 174.57 2ww0 s ILE 202 N -0.20 0.79 -0.19 2.92 1.01 0.13 -2.07 121.20 123.60 2ww0 s ILE 202 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2ww0 s ILE 202 Cb -0.06 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 2ww0 s ILE 202 CO -0.00 0.31 -0.03 -1.61 0.00 0.00 0.00 174.94 173.61 2ww0 s GLU 203 N 1.80 3.58 0.03 2.79 2.02 0.43 -0.49 118.70 128.86 2ww0 s GLU 203 Ca 0.05 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 2ww0 s GLU 203 Cb -0.13 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2ww0 s GLU 203 CO -0.07 0.06 0.16 -0.06 0.02 0.00 0.00 175.26 175.36 2ww0 s PHE 204 N 0.85 3.43 -0.37 1.61 0.40 0.10 -0.49 117.98 123.51 2ww0 s PHE 204 Ca -0.00 0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.64 2ww0 s PHE 204 Cb -0.14 -1.75 0.61 0.00 0.51 0.00 0.00 43.02 42.24 2ww0 s PHE 204 CO 0.02 0.59 1.66 -0.40 0.70 0.00 0.00 175.22 177.78 2ww0 n ASP 205 N 0.69 4.20 -3.73 1.36 5.75 -0.92 -4.77 116.55 119.13 2ww0 n ASP 205 Ca -0.09 -3.08 -0.13 0.00 -0.01 0.00 0.00 54.79 51.48 2ww0 n ASP 205 Cb 0.52 -0.72 -0.14 0.00 -1.03 0.00 0.00 41.12 39.75 2ww0 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww0 s LYS 206 N -2.60 0.15 0.40 0.11 2.36 -1.26 -4.90 119.74 113.99 2ww0 s LYS 206 Ca 0.46 0.46 -0.26 0.00 -2.55 0.00 0.00 55.97 54.09 2ww0 s LYS 206 Cb 0.37 -0.15 -0.09 0.00 -1.05 0.00 0.00 37.83 36.91 2ww0 s LYS 206 CO 0.11 -0.17 1.24 -2.14 1.55 0.00 0.00 175.35 175.94 2ww0 s PRO 207 N 1.29 4.03 -0.03 4.03 0.02 -1.26 -4.97 135.00 138.12 2ww0 s PRO 207 Ca -0.09 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2ww0 s PRO 207 Cb -0.11 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 2ww0 s PRO 207 CO -0.07 -0.39 1.12 -0.06 -0.33 0.00 0.00 177.00 177.26 2ww0 s PHE 208 N -1.31 3.40 -0.20 6.54 0.08 -1.26 -4.82 117.98 120.41 2ww0 s PHE 208 Ca 0.56 1.40 0.22 0.00 0.12 0.00 0.00 56.93 59.24 2ww0 s PHE 208 Cb -0.35 -3.32 -0.11 0.00 -0.57 0.00 0.00 43.02 38.67 2ww0 s PHE 208 CO 0.45 -0.84 0.86 2.41 -0.10 0.00 0.00 175.22 177.99 2ww0 n THR 209 N 4.31 0.38 -4.14 0.64 -1.04 0.59 -4.89 114.28 110.13 2ww0 n THR 209 Ca 0.09 -0.51 -0.15 0.00 -2.04 0.00 0.00 64.05 61.44 2ww0 n THR 209 Cb 0.48 -0.18 -0.14 0.00 -1.82 0.00 0.00 70.33 68.66 2ww0 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww0 s TYR 210 N -3.40 0.44 -0.14 -1.42 6.14 -0.98 -4.96 117.35 113.04 2ww0 s TYR 210 Ca -0.03 -0.09 -0.12 0.00 0.64 0.00 0.00 57.07 57.47 2ww0 s TYR 210 Cb 0.11 -0.28 0.04 0.00 0.42 0.00 0.00 41.96 42.25 2ww0 s TYR 210 CO 0.83 -0.01 0.36 -1.59 0.64 0.00 0.00 175.55 175.79 2ww0 s LYS 211 N -0.15 0.42 -0.13 4.97 -2.85 -1.26 -1.01 119.74 119.73 2ww0 s LYS 211 Ca 0.02 0.52 -0.22 0.00 -1.00 0.00 0.00 55.97 55.28 2ww0 s LYS 211 Cb -0.02 0.19 0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2ww0 s LYS 211 CO -0.00 -0.06 0.55 0.00 0.10 0.00 0.00 175.35 175.94 2ww0 s ALA 212 N 0.26 -1.39 0.33 0.59 0.00 -0.15 -1.17 121.76 120.22 2ww0 s ALA 212 Ca -0.01 1.29 0.07 0.00 0.00 0.00 0.00 51.96 53.31 2ww0 s ALA 212 Cb -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2ww0 s ALA 212 CO -0.00 -0.30 0.37 0.95 0.00 0.00 0.00 175.76 176.79 2ww0 s THR 213 N -0.41 3.91 -0.06 0.00 -4.23 -0.92 -0.67 115.64 113.26 2ww0 s THR 213 Ca -0.06 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 2ww0 s THR 213 Cb -0.03 -3.33 -0.00 0.00 1.34 0.00 0.00 72.50 70.47 2ww0 s THR 213 CO 0.04 -0.18 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.05 2ww0 s VAL 214 N -2.22 1.68 -0.34 2.29 1.01 0.77 -0.99 120.40 122.59 2ww0 s VAL 214 Ca 0.42 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2ww0 s VAL 214 Cb -0.08 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 34.98 2ww0 s VAL 214 CO 0.29 0.48 0.15 -0.70 0.00 0.00 0.00 175.10 175.31 2ww0 s GLU 215 N 0.05 0.75 -1.12 2.72 -6.30 0.02 -1.87 118.70 112.95 2ww0 s GLU 215 Ca -0.06 -1.26 -0.12 0.00 -2.50 0.00 0.00 54.97 51.03 2ww0 s GLU 215 Cb -0.13 -1.86 -0.03 0.00 0.00 0.00 0.00 34.13 32.10 2ww0 s GLU 215 CO 0.03 -1.06 0.84 0.09 0.02 0.00 0.00 175.26 175.18 2ww0 n ASN 216 N 4.48 -5.42 0.00 -1.70 5.03 -1.13 -2.25 115.26 114.27 2ww0 n ASN 216 Ca 0.02 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.61 2ww0 n ASN 216 Cb 0.39 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 34.89 2ww0 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww0 n GLY 217 N -1.47 2.96 3.70 7.41 0.00 -1.26 -4.99 105.19 111.54 2ww0 n GLY 217 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2ww0 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 218 N -0.74 7.20 -0.12 1.61 -0.87 -0.95 -4.95 114.94 116.12 2ww0 s ASN 218 Ca 0.00 1.47 -0.24 0.00 -1.57 0.00 0.00 52.86 52.51 2ww0 s ASN 218 Cb 0.00 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.68 2ww0 s ASN 218 CO 0.00 -0.32 0.76 -0.22 -2.57 0.00 0.00 177.10 174.75 2ww0 s LEU 219 N 1.48 4.24 -0.30 0.60 2.96 -1.26 -0.80 118.68 125.59 2ww0 s LEU 219 Ca 0.46 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 2ww0 s LEU 219 Cb -0.19 -3.15 0.09 0.00 0.50 0.00 0.00 46.19 43.44 2ww0 s LEU 219 CO 0.21 -0.26 0.05 -1.10 -1.32 0.00 0.00 176.35 173.92 2ww0 s GLN 220 N 1.50 1.18 0.22 1.98 -0.21 -0.16 -5.00 119.66 119.17 2ww0 s GLN 220 Ca 0.38 -1.32 -0.30 0.00 0.02 0.00 0.00 55.36 54.14 2ww0 s GLN 220 Cb -0.17 -2.55 -0.09 0.00 1.00 0.00 0.00 33.01 31.20 2ww0 s GLN 220 CO 0.15 -0.87 1.37 -2.00 -2.12 0.00 0.00 175.29 171.82 2ww0 s GLU 221 N 1.33 4.33 0.00 2.91 2.12 -1.26 -2.16 118.70 125.96 2ww0 s GLU 221 Ca 0.06 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.56 2ww0 s GLU 221 Cb -0.18 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2ww0 s GLU 221 CO -0.15 -0.33 0.00 0.09 -0.54 0.00 0.00 175.26 174.33 2ww0 n ASN 222 N 2.55 -4.92 -4.62 -1.70 3.02 -0.32 -4.94 115.26 104.33 2ww0 n ASN 222 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2ww0 n ASN 222 Cb 0.42 -2.46 -0.05 0.00 -0.61 0.00 0.00 39.78 37.07 2ww0 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww0 s VAL 223 N -1.35 4.85 0.03 2.41 1.01 -1.16 -4.97 120.40 121.22 2ww0 s VAL 223 Ca 0.00 1.22 0.25 0.00 0.00 0.00 0.00 61.98 63.45 2ww0 s VAL 223 Cb 0.00 -4.09 0.26 0.00 0.00 0.00 0.00 36.38 32.56 2ww0 s VAL 223 CO 0.00 -0.16 1.80 0.00 0.00 0.00 0.00 175.10 176.74 2ww0 h ALA 224 N 8.00 0.98 -2.77 5.51 0.00 -1.90 -3.22 119.26 125.85 2ww0 h ALA 224 Ca -0.25 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2ww0 h ALA 224 Cb 1.10 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 2ww0 h ALA 224 CO 0.85 0.22 -0.27 -2.00 0.00 0.00 0.00 179.25 178.05 2ww0 s GLU 225 N -3.54 0.48 -0.02 0.00 2.12 -1.26 -0.37 118.70 116.10 2ww0 s GLU 225 Ca 0.02 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2ww0 s GLU 225 Cb 0.09 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.73 2ww0 s GLU 225 CO 0.63 -0.07 0.01 -0.65 -0.54 0.00 0.00 175.26 174.64 2ww0 s GLN 226 N -0.04 0.12 -0.29 4.30 -1.52 -0.20 -5.00 119.66 117.03 2ww0 s GLN 226 Ca -0.02 0.10 0.03 0.00 -1.95 0.00 0.00 55.36 53.52 2ww0 s GLN 226 Cb -0.03 -0.32 0.08 0.00 -0.22 0.00 0.00 33.01 32.52 2ww0 s GLN 226 CO 0.01 -0.12 -0.03 0.99 -0.25 0.00 0.00 175.29 175.88 2ww0 s THR 227 N 0.87 2.07 0.23 -0.19 2.01 -1.26 -1.54 115.64 117.82 2ww0 s THR 227 Ca -0.08 -1.83 -0.22 0.00 0.31 0.00 0.00 61.69 59.87 2ww0 s THR 227 Cb -0.11 -2.34 0.06 0.00 0.01 0.00 0.00 72.50 70.11 2ww0 s THR 227 CO -0.02 -0.28 0.90 0.28 -0.69 0.00 0.00 174.62 174.81 2ww0 s THR 228 N 1.09 0.00 0.18 -0.82 -1.32 -1.01 -5.03 115.64 108.73 2ww0 s THR 228 Ca -0.00 -0.78 -0.14 0.00 -1.21 0.00 0.00 61.69 59.55 2ww0 s THR 228 Cb -0.19 -2.33 0.11 0.00 -1.51 0.00 0.00 72.50 68.58 2ww0 s THR 228 CO -0.07 0.00 1.69 -0.78 -2.21 0.00 0.00 174.62 173.24 2ww0 h ASP 229 N 2.00 -0.21 -2.87 8.08 3.58 -1.93 -0.18 116.42 124.89 2ww0 h ASP 229 Ca -0.25 0.11 -0.59 0.00 0.42 0.00 0.00 57.03 56.72 2ww0 h ASP 229 Cb 1.24 0.20 -0.39 0.00 1.72 0.00 0.00 39.33 42.09 2ww0 h ASP 229 CO 0.30 -0.07 -0.82 -2.28 -2.88 0.00 0.00 179.24 173.49 2ww0 s HIS 230 N -6.18 1.38 0.38 0.28 2.46 -1.26 0.43 115.29 112.79 2ww0 s HIS 230 Ca -0.13 -2.14 -0.22 0.00 0.47 0.00 0.00 55.06 53.04 2ww0 s HIS 230 Cb 0.15 -1.34 -0.10 0.00 -0.13 0.00 0.00 32.58 31.16 2ww0 s HIS 230 CO 0.72 -0.80 0.92 0.00 -2.47 0.00 0.00 174.74 173.11 2ww0 s ALA 231 N 0.47 3.13 0.12 1.58 0.00 -1.25 -2.83 121.76 122.97 2ww0 s ALA 231 Ca 0.21 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 2ww0 s ALA 231 Cb -0.17 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 19.90 2ww0 s ALA 231 CO -0.05 0.17 0.49 0.20 0.00 0.00 0.00 175.76 176.57 2ww0 s GLY 232 N -2.01 -0.42 0.05 0.00 0.00 -0.78 -1.93 107.32 102.23 2ww0 s GLY 232 Ca 0.57 0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.59 2ww0 s GLY 232 CO 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 173.10 173.16 2ww0 s ALA 233 N -3.46 0.65 -0.07 3.20 0.00 -0.29 0.27 121.76 122.05 2ww0 s ALA 233 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2ww0 s ALA 233 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2ww0 s ALA 233 CO -0.10 -0.01 -0.02 0.42 0.00 0.00 0.00 175.76 176.05 2ww0 s ILE 234 N -1.46 0.54 0.12 0.00 1.01 0.15 -0.01 121.20 121.56 2ww0 s ILE 234 Ca -0.08 -0.02 0.11 0.00 0.00 0.00 0.00 60.65 60.66 2ww0 s ILE 234 Cb -0.09 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2ww0 s ILE 234 CO 0.00 0.27 -0.27 0.27 0.00 0.00 0.00 174.94 175.22 2ww0 s ILE 235 N 1.66 2.23 0.31 2.92 -5.25 -0.91 -0.97 121.20 121.19 2ww0 s ILE 235 Ca 0.01 -1.72 -0.00 0.00 -0.99 0.00 0.00 60.65 57.94 2ww0 s ILE 235 Cb -0.13 -1.97 -0.01 0.00 2.95 0.00 0.00 42.46 43.30 2ww0 s ILE 235 CO -0.04 0.11 0.36 -0.83 -1.79 0.00 0.00 174.94 172.75 2ww0 s GLY 236 N -1.99 1.64 0.01 6.27 0.00 -0.18 -0.54 107.32 112.53 2ww0 s GLY 236 Ca 0.14 -1.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 2ww0 s GLY 236 CO 0.06 -1.17 1.24 -0.11 0.00 0.00 0.00 173.10 173.12 2ww0 s PHE 237 N -3.44 -0.04 0.13 1.90 -0.00 -0.24 -0.30 117.98 116.00 2ww0 s PHE 237 Ca 0.34 -0.09 -0.25 0.00 -0.00 0.00 0.00 56.93 56.93 2ww0 s PHE 237 Cb 0.02 0.56 -0.07 0.00 -0.00 0.00 0.00 43.02 43.53 2ww0 s PHE 237 CO 0.20 -0.36 0.75 -1.59 -0.00 0.00 0.00 175.22 174.23 2ww0 s LYS 238 N -2.47 4.52 0.02 1.99 -2.85 -1.26 -1.82 119.74 117.87 2ww0 s LYS 238 Ca 0.16 1.10 0.06 0.00 -1.00 0.00 0.00 55.97 56.29 2ww0 s LYS 238 Cb 0.03 -3.28 -0.02 0.00 -2.06 0.00 0.00 37.83 32.50 2ww0 s LYS 238 CO -0.03 0.51 -0.19 0.95 0.10 0.00 0.00 175.35 176.69 2ww0 s THR 239 N -0.87 1.52 0.36 3.79 -4.23 0.14 -4.98 115.64 111.37 2ww0 s THR 239 Ca 0.36 -1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 59.71 2ww0 s THR 239 Cb -0.22 -1.31 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 2ww0 s THR 239 CO 0.25 0.25 0.74 -0.13 -0.54 0.00 0.00 174.62 175.19 2ww0 s ARG 240 N -0.92 3.89 -0.01 3.99 0.52 -1.26 -1.59 118.95 123.57 2ww0 s ARG 240 Ca 0.07 0.55 -0.38 0.00 -0.52 0.00 0.00 55.73 55.45 2ww0 s ARG 240 Cb -0.08 -2.42 -0.17 0.00 0.52 0.00 0.00 34.95 32.80 2ww0 s ARG 240 CO 0.01 0.08 1.39 1.17 0.02 0.00 0.00 175.30 177.97 2ww0 n LYS 241 N -0.79 0.99 -0.98 3.54 4.81 -1.26 -0.36 118.16 124.11 2ww0 n LYS 241 Ca 0.03 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2ww0 n LYS 241 Cb 0.53 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2ww0 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww0 n GLY 242 N 2.76 0.93 3.74 3.14 0.00 0.03 -4.84 105.19 110.95 2ww0 n GLY 242 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 243 N -0.04 4.12 -0.15 1.61 2.12 0.52 -4.62 118.70 122.26 2ww0 s GLU 243 Ca 0.00 2.58 -0.05 0.00 0.36 0.00 0.00 54.97 57.86 2ww0 s GLU 243 Cb 0.00 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2ww0 s GLU 243 CO 0.00 -0.66 0.02 -0.65 -0.54 0.00 0.00 175.26 173.43 2ww0 s GLN 244 N -0.07 3.65 -0.12 4.30 -0.21 -1.26 -0.77 119.66 125.18 2ww0 s GLN 244 Ca 0.66 -0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.67 2ww0 s GLN 244 Cb -0.48 -3.04 -0.00 0.00 1.00 0.00 0.00 33.01 30.49 2ww0 s GLN 244 CO 0.44 0.38 -0.21 0.08 -2.12 0.00 0.00 175.29 173.87 2ww0 s VAL 245 N 0.02 2.30 -0.05 1.09 1.01 -0.32 -4.96 120.40 119.50 2ww0 s VAL 245 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2ww0 s VAL 245 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2ww0 s VAL 245 CO 0.02 0.55 0.08 0.20 0.00 0.00 0.00 175.10 175.95 2ww0 s ASN 246 N 0.50 5.79 -0.12 3.32 0.01 -1.26 -0.53 114.94 122.65 2ww0 s ASN 246 Ca -0.13 0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 2ww0 s ASN 246 Cb -0.17 -1.72 0.02 0.00 0.41 0.00 0.00 41.25 39.80 2ww0 s ASN 246 CO 0.05 0.32 -0.11 0.00 -1.51 0.00 0.00 177.10 175.85 2ww0 s ALA 247 N -1.11 1.55 -0.18 0.60 0.00 -0.26 -2.16 121.76 120.21 2ww0 s ALA 247 Ca 0.20 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 2ww0 s ALA 247 Cb -0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2ww0 s ALA 247 CO 0.10 -0.29 0.45 1.03 0.00 0.00 0.00 175.76 177.05 2ww0 s ARG 248 N 1.40 4.23 0.04 0.00 0.52 0.36 -0.98 118.95 124.51 2ww0 s ARG 248 Ca 0.01 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.59 2ww0 s ARG 248 Cb -0.13 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.81 2ww0 s ARG 248 CO -0.07 0.00 -0.13 0.42 0.02 0.00 0.00 175.30 175.55 2ww0 s ILE 249 N 1.16 0.98 0.18 1.52 1.01 -0.18 -0.43 121.20 125.45 2ww0 s ILE 249 Ca 0.22 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 2ww0 s ILE 249 Cb -0.15 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.44 2ww0 s ILE 249 CO 0.09 -0.04 0.49 0.00 0.00 0.00 0.00 174.94 175.48 2ww0 s ALA 250 N -0.86 -0.87 0.16 9.38 0.00 -0.88 -0.92 121.76 127.77 2ww0 s ALA 250 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 2ww0 s ALA 250 Cb -0.08 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2ww0 s ALA 250 CO 0.01 -0.77 0.28 -1.54 0.00 0.00 0.00 175.76 173.74 2ww0 s SER 251 N -2.87 0.04 0.08 0.00 1.04 -1.22 -1.42 113.70 109.35 2ww0 s SER 251 Ca 0.09 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 2ww0 s SER 251 Cb -0.00 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2ww0 s SER 251 CO -0.04 -0.88 0.08 -0.55 0.98 0.00 0.00 173.24 172.84 2ww0 s SER 252 N -2.95 0.30 0.00 7.02 0.15 0.21 -4.73 113.70 113.71 2ww0 s SER 252 Ca 0.15 -0.88 0.23 0.00 0.70 0.00 0.00 55.95 56.15 2ww0 s SER 252 Cb 0.03 0.28 0.61 0.00 -1.71 0.00 0.00 66.02 65.23 2ww0 s SER 252 CO -0.02 -0.68 1.52 0.49 1.20 0.00 0.00 173.24 175.75 2ww0 n PHE 253 N 0.00 0.89 -0.02 3.44 3.01 -1.26 -0.63 117.46 122.90 2ww0 n PHE 253 Ca -0.13 -0.45 -0.03 0.00 1.01 0.00 0.00 57.45 57.85 2ww0 n PHE 253 Cb 0.62 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.08 2ww0 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww0 n ILE 254 N 1.62 0.83 -3.80 4.37 5.41 -1.26 -4.73 119.36 121.81 2ww0 n ILE 254 Ca 0.24 0.27 -0.07 0.00 1.00 0.00 0.00 62.75 64.19 2ww0 n ILE 254 Cb 0.62 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.82 2ww0 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww0 s SER 255 N -5.36 -0.26 0.18 4.38 1.04 -1.26 -4.99 113.70 107.42 2ww0 s SER 255 Ca -0.09 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.73 2ww0 s SER 255 Cb 0.01 0.66 0.09 0.00 0.10 0.00 0.00 66.02 66.88 2ww0 s SER 255 CO 0.14 -1.20 1.71 -0.26 0.98 0.00 0.00 173.24 174.61 2ww0 h PHE 256 N 2.00 1.05 -0.82 5.02 0.04 -1.94 -0.25 116.94 122.04 2ww0 h PHE 256 Ca -0.21 -0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.52 2ww0 h PHE 256 Cb 1.25 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 39.03 2ww0 h PHE 256 CO 0.40 0.86 0.49 1.49 -0.60 0.00 0.00 178.31 180.95 2ww0 h GLU 257 N 0.94 0.85 -0.26 1.51 4.81 -1.99 0.14 114.58 120.58 2ww0 h GLU 257 Ca 0.21 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2ww0 h GLU 257 Cb 0.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2ww0 h GLU 257 CO -0.01 0.56 -0.42 0.37 -0.73 0.00 0.00 179.01 178.79 2ww0 h GLN 258 N 0.88 0.62 -0.83 1.92 5.75 -1.86 -2.41 115.11 119.18 2ww0 h GLN 258 Ca 0.37 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2ww0 h GLN 258 Cb 0.23 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 2ww0 h GLN 258 CO -0.20 0.92 0.53 0.00 -2.65 0.00 0.00 178.83 177.44 2ww0 h ALA 259 N 1.03 1.05 -0.28 3.38 0.00 0.08 -0.13 119.26 124.39 2ww0 h ALA 259 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2ww0 h ALA 259 Cb 0.94 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ww0 h ALA 259 CO 0.08 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.71 2ww0 h ALA 260 N 1.29 1.32 -0.28 0.00 0.00 -0.78 -0.96 119.26 119.86 2ww0 h ALA 260 Ca 0.30 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2ww0 h ALA 260 Cb -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2ww0 h ALA 260 CO -0.06 0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.52 2ww0 h ALA 261 N 1.48 0.39 -0.57 0.00 0.00 -0.90 -2.97 119.26 116.68 2ww0 h ALA 261 Ca 0.08 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2ww0 h ALA 261 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2ww0 h ALA 261 CO 0.02 0.26 0.38 -0.91 0.00 0.00 0.00 179.25 179.00 2ww0 h ASN 262 N 0.31 0.50 -0.29 0.00 2.35 -0.47 -1.21 115.58 116.78 2ww0 h ASN 262 Ca 0.06 -0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 2ww0 h ASN 262 Cb 0.63 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2ww0 h ASN 262 CO 0.04 0.33 0.36 -0.03 -1.65 0.00 0.00 177.43 176.48 2ww0 h MET 263 N 0.57 0.00 0.00 0.81 4.05 -1.02 -1.27 114.93 118.07 2ww0 h MET 263 Ca 0.24 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 2ww0 h MET 263 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2ww0 h MET 263 CO -0.07 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.16 2ww0 n ASN 264 N -3.64 0.40 0.26 1.39 5.03 -0.45 -1.96 115.26 116.28 2ww0 n ASN 264 Ca 0.05 0.59 0.13 0.00 0.87 0.00 0.00 54.58 56.22 2ww0 n ASN 264 Cb 0.50 -0.68 0.79 0.00 -1.02 0.00 0.00 39.78 39.37 2ww0 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww0 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.42 -1.07 114.58 120.69 2ww0 h GLU 265 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ww0 h GLU 265 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ww0 h GLU 265 CO 0.00 0.00 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.76 2ww0 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.62 -3.49 115.31 114.91 2ww0 h LEU 266 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ww0 h LEU 266 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ww0 h LEU 266 CO -0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2ww0 n GLY 267 N 0.55 3.13 0.80 0.83 0.00 -0.41 -2.06 105.19 108.04 2ww0 n GLY 267 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.91 2ww0 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww0 n LYS 268 N 14.00 2.16 -2.10 1.61 4.76 -1.26 -4.98 118.16 132.35 2ww0 n LYS 268 Ca 0.00 -2.93 -0.33 0.00 -2.87 0.00 0.00 58.31 52.17 2ww0 n LYS 268 Cb 0.00 -1.76 0.01 0.00 -1.84 0.00 0.00 35.03 31.45 2ww0 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww0 s ASP 269 N -2.40 5.69 0.49 4.39 1.01 -0.87 -5.07 116.67 119.90 2ww0 s ASP 269 Ca 0.41 1.95 0.07 0.00 0.71 0.00 0.00 52.55 55.69 2ww0 s ASP 269 Cb 0.35 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.81 2ww0 s ASP 269 CO 0.04 -1.23 0.66 -0.46 0.21 0.00 0.00 175.17 174.39 2ww0 n ASN 270 N -1.80 1.61 -0.10 0.27 0.23 -1.26 -4.91 115.26 109.29 2ww0 n ASN 270 Ca 0.10 -2.19 -0.05 0.00 -0.53 0.00 0.00 54.58 51.91 2ww0 n ASN 270 Cb 0.52 -0.36 0.01 0.00 -2.08 0.00 0.00 39.78 37.87 2ww0 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww0 h ILE 271 N -0.00 0.70 -0.01 1.53 1.08 -1.96 -1.82 117.51 117.01 2ww0 h ILE 271 Ca -0.22 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 2ww0 h ILE 271 Cb 0.99 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 2ww0 h ILE 271 CO 0.31 0.01 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.32 2ww0 h GLU 272 N 0.05 -0.20 -0.70 2.37 3.07 -1.99 0.11 114.58 117.30 2ww0 h GLU 272 Ca 0.17 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2ww0 h GLU 272 Cb 0.25 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2ww0 h GLU 272 CO -0.32 -0.14 0.26 1.96 -1.40 0.00 0.00 179.01 179.38 2ww0 h GLN 273 N -0.21 1.05 -0.37 2.33 4.20 -1.90 -0.64 115.11 119.58 2ww0 h GLN 273 Ca 0.05 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 2ww0 h GLN 273 Cb 0.27 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2ww0 h GLN 273 CO -0.14 0.88 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.66 2ww0 h LEU 274 N 1.00 0.80 -0.52 1.46 3.38 -1.08 -1.31 115.31 119.03 2ww0 h LEU 274 Ca 0.23 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2ww0 h LEU 274 Cb 0.24 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2ww0 h LEU 274 CO -0.02 1.03 0.16 0.00 0.09 0.00 0.00 178.44 179.70 2ww0 h ALA 275 N 0.80 0.64 -0.79 1.53 0.00 -0.54 0.40 119.26 121.29 2ww0 h ALA 275 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ww0 h ALA 275 Cb 0.73 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2ww0 h ALA 275 CO 0.05 -0.24 0.47 0.37 0.00 0.00 0.00 179.25 179.91 2ww0 h GLN 276 N 0.33 1.07 -0.56 0.00 5.75 -0.86 0.41 115.11 121.25 2ww0 h GLN 276 Ca 0.26 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2ww0 h GLN 276 Cb 0.31 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2ww0 h GLN 276 CO -0.29 0.76 -0.09 0.87 -2.65 0.00 0.00 178.83 177.43 2ww0 h LYS 277 N 1.08 1.05 -0.50 1.69 1.57 -0.33 0.06 116.57 121.19 2ww0 h LYS 277 Ca 0.28 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2ww0 h LYS 277 Cb -0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2ww0 h LYS 277 CO -0.05 1.08 0.05 0.78 -0.57 0.00 0.00 179.45 180.74 2ww0 h GLY 278 N 0.94 0.92 0.87 3.86 0.00 -0.63 0.20 103.07 109.23 2ww0 h GLY 278 Ca 0.15 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.85 2ww0 h GLY 278 CO 0.05 0.59 -0.00 1.70 0.00 0.00 0.00 176.54 178.88 2ww0 h LYS 279 N 0.73 0.03 -0.57 4.80 3.64 -0.73 -0.34 116.57 124.13 2ww0 h LYS 279 Ca 0.15 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 2ww0 h LYS 279 Cb 0.45 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 2ww0 h LYS 279 CO 0.02 0.02 0.23 -0.44 -2.27 0.00 0.00 179.45 177.01 2ww0 h ASP 280 N 0.03 0.27 -0.58 4.20 3.32 -0.82 0.51 116.42 123.34 2ww0 h ASP 280 Ca 0.04 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2ww0 h ASP 280 Cb 0.05 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2ww0 h ASP 280 CO -0.07 0.17 0.37 0.00 -1.72 0.00 0.00 179.24 177.99 2ww0 h ALA 281 N 1.36 0.75 -0.16 3.45 0.00 -0.32 -0.33 119.26 124.01 2ww0 h ALA 281 Ca 0.27 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2ww0 h ALA 281 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ww0 h ALA 281 CO -0.25 0.11 -0.45 -1.49 0.00 0.00 0.00 179.25 177.17 2ww0 h TRP 282 N 0.73 0.76 -0.14 0.00 4.06 -0.60 -3.04 115.95 117.71 2ww0 h TRP 282 Ca 0.23 -0.30 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 2ww0 h TRP 282 Cb -0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 2ww0 h TRP 282 CO -0.05 1.06 0.01 -0.91 -3.56 0.00 0.00 178.44 175.00 2ww0 h ASN 283 N 0.23 0.18 -0.77 -3.49 -0.26 -0.67 0.21 115.58 111.01 2ww0 h ASN 283 Ca -0.01 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2ww0 h ASN 283 Cb 1.07 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 38.24 2ww0 h ASN 283 CO 0.10 0.21 0.51 -0.61 -1.06 0.00 0.00 177.43 176.57 2ww0 h GLN 284 N 0.20 1.00 0.07 0.81 5.75 -0.95 0.22 115.11 122.21 2ww0 h GLN 284 Ca 0.05 -0.06 -0.37 0.00 -0.15 0.00 0.00 58.65 58.12 2ww0 h GLN 284 Cb 0.12 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 2ww0 h GLN 284 CO 0.00 0.66 -2.13 1.33 -2.65 0.00 0.00 178.83 176.04 2ww0 n VAL 285 N -4.42 1.66 -0.13 2.39 0.24 -0.71 -4.12 118.33 113.24 2ww0 n VAL 285 Ca 0.08 -0.66 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 2ww0 n VAL 285 Cb 0.03 -1.51 0.22 0.00 -1.47 0.00 0.00 33.84 31.12 2ww0 n VAL 285 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2ww0 h LEU 286 N 0.04 0.75 0.00 1.34 3.38 -0.62 -2.94 115.31 117.26 2ww0 h LEU 286 Ca -0.46 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2ww0 h LEU 286 Cb 2.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2ww0 h LEU 286 CO 0.03 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2ww0 n GLY 287 N -1.01 -0.87 0.20 0.83 0.00 0.76 -2.34 105.19 102.77 2ww0 n GLY 287 Ca 0.05 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2ww0 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww0 h LYS 288 N 0.00 0.00 -3.49 1.61 1.79 -1.67 -3.37 116.57 111.43 2ww0 h LYS 288 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2ww0 h LYS 288 Cb 0.19 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.44 2ww0 h LYS 288 CO 0.00 0.00 -0.76 0.42 -1.08 0.00 0.00 179.45 178.03 2ww0 s ILE 289 N -3.55 0.84 -0.10 1.86 1.01 -0.99 -0.89 121.20 119.38 2ww0 s ILE 289 Ca 0.01 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 2ww0 s ILE 289 Cb 0.09 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 2ww0 s ILE 289 CO 0.40 -0.69 0.35 -1.61 0.00 0.00 0.00 174.94 173.40 2ww0 s GLU 290 N 1.60 4.10 0.06 2.79 2.02 -0.70 -4.93 118.70 123.64 2ww0 s GLU 290 Ca 0.10 0.25 0.08 0.00 0.02 0.00 0.00 54.97 55.42 2ww0 s GLU 290 Cb -0.17 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 2ww0 s GLU 290 CO -0.25 0.40 -0.23 0.14 0.02 0.00 0.00 175.26 175.35 2ww0 s VAL 291 N -0.09 1.83 0.20 2.63 -7.23 -1.26 -0.21 120.40 116.26 2ww0 s VAL 291 Ca 0.20 -1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 2ww0 s VAL 291 Cb -0.14 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2ww0 s VAL 291 CO 0.08 0.19 0.20 -1.61 -0.31 0.00 0.00 175.10 173.65 2ww0 s GLU 292 N -1.37 1.23 -0.63 4.82 2.02 0.10 -4.95 118.70 119.92 2ww0 s GLU 292 Ca 0.09 -1.50 -0.01 0.00 0.02 0.00 0.00 54.97 53.57 2ww0 s GLU 292 Cb -0.09 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2ww0 s GLU 292 CO 0.03 -0.43 0.53 0.41 0.02 0.00 0.00 175.26 175.82 2ww0 n GLY 293 N -0.27 0.05 3.33 -1.39 0.00 -1.26 -2.37 105.19 103.28 2ww0 n GLY 293 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2ww0 n GLY 293 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ww0 s GLY 294 N -3.64 1.51 0.63 -0.02 0.00 -1.26 -2.70 107.32 101.84 2ww0 s GLY 294 Ca 0.04 -1.62 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 2ww0 s GLY 294 CO 0.38 -1.22 0.92 0.54 0.00 0.00 0.00 173.10 173.71 2ww0 s ASN 295 N -3.20 5.18 0.32 1.64 2.20 -1.26 -4.91 114.94 114.91 2ww0 s ASN 295 Ca 0.35 0.44 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 2ww0 s ASN 295 Cb 0.03 -1.27 0.54 0.00 -2.00 0.00 0.00 41.25 38.55 2ww0 s ASN 295 CO 0.17 -1.31 1.97 0.25 -2.94 0.00 0.00 177.10 175.23 2ww0 h LEU 296 N -0.30 0.86 -0.71 3.54 5.85 -2.02 -1.47 115.31 121.06 2ww0 h LEU 296 Ca -0.44 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.32 2ww0 h LEU 296 Cb 1.29 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 2ww0 h LEU 296 CO 0.59 0.60 0.41 0.44 -0.34 0.00 0.00 178.44 180.14 2ww0 h ASP 297 N 1.00 0.62 -0.32 1.25 3.32 -1.99 -0.99 116.42 119.31 2ww0 h ASP 297 Ca 0.30 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 2ww0 h ASP 297 Cb -0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2ww0 h ASP 297 CO -0.08 0.40 -0.11 1.56 -1.72 0.00 0.00 179.24 179.29 2ww0 h GLN 298 N 0.75 0.64 -0.36 3.56 4.20 -1.67 0.35 115.11 122.58 2ww0 h GLN 298 Ca 0.32 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.81 2ww0 h GLN 298 Cb 0.18 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 2ww0 h GLN 298 CO -0.18 0.83 0.10 1.88 -0.67 0.00 0.00 178.83 180.80 2ww0 h TYR 299 N 0.41 0.18 -0.07 2.96 0.05 -1.05 0.27 116.97 119.72 2ww0 h TYR 299 Ca 0.08 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 2ww0 h TYR 299 Cb 0.61 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 2ww0 h TYR 299 CO 0.05 0.06 0.03 0.00 -1.05 0.00 0.00 178.16 177.26 2ww0 h ARG 300 N 0.24 0.11 -0.62 4.88 3.08 -0.90 -0.48 114.38 120.69 2ww0 h ARG 300 Ca 0.17 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.25 2ww0 h ARG 300 Cb 0.16 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2ww0 h ARG 300 CO -0.19 0.21 0.35 1.15 -1.07 0.00 0.00 179.97 180.42 2ww0 h THR 301 N -0.02 0.99 -0.10 2.04 2.02 0.08 -1.05 112.91 116.87 2ww0 h THR 301 Ca 0.03 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2ww0 h THR 301 Cb 0.14 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2ww0 h THR 301 CO -0.00 0.12 -0.01 0.15 0.37 0.00 0.00 175.52 176.14 2ww0 h PHE 302 N 0.66 0.20 0.00 3.16 3.57 -0.17 -2.04 116.94 122.31 2ww0 h PHE 302 Ca 0.27 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 2ww0 h PHE 302 Cb 0.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2ww0 h PHE 302 CO -0.08 0.47 -0.69 1.88 -2.23 0.00 0.00 178.31 177.67 2ww0 h TYR 303 N -0.13 0.00 -0.37 0.41 0.05 -1.03 -1.40 116.97 114.50 2ww0 h TYR 303 Ca 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2ww0 h TYR 303 Cb 0.40 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2ww0 h TYR 303 CO 0.05 0.69 0.15 0.77 -1.05 0.00 0.00 178.16 178.77 2ww0 h SER 304 N 0.00 0.51 -0.57 3.88 0.02 -1.19 -0.98 113.55 115.21 2ww0 h SER 304 Ca -0.01 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2ww0 h SER 304 Cb 1.36 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 2ww0 h SER 304 CO 0.09 0.53 0.35 0.00 -1.14 0.00 0.00 176.83 176.65 2ww0 h LEU 306 N 0.77 0.82 -0.74 0.00 5.85 -1.05 -1.83 115.31 119.13 2ww0 h LEU 306 Ca 0.21 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2ww0 h LEU 306 Cb -0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2ww0 h LEU 306 CO -0.04 0.62 0.47 0.22 -0.34 0.00 0.00 178.44 179.37 2ww0 h TYR 307 N 0.94 0.88 0.00 1.25 3.20 -0.80 -0.43 116.97 122.00 2ww0 h TYR 307 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2ww0 h TYR 307 Cb -0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2ww0 h TYR 307 CO -0.02 0.51 0.00 0.54 -1.64 0.00 0.00 178.16 177.55 2ww0 n ARG 308 N -4.63 0.14 -0.03 1.82 5.12 -0.43 -2.12 116.66 116.53 2ww0 n ARG 308 Ca 0.08 0.41 0.13 0.00 -1.93 0.00 0.00 57.85 56.54 2ww0 n ARG 308 Cb 0.08 -1.79 0.29 0.00 -1.16 0.00 0.00 32.46 29.88 2ww0 n ARG 308 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ww0 n SER 309 N -2.05 2.40 -0.43 0.55 7.64 -0.18 -3.68 113.62 117.87 2ww0 n SER 309 Ca 0.02 -1.80 0.07 0.00 1.01 0.00 0.00 58.87 58.18 2ww0 n SER 309 Cb 0.19 -0.04 0.18 0.00 -1.01 0.00 0.00 64.21 63.53 2ww0 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww0 n LEU 310 N 0.86 2.49 -0.09 -3.43 4.77 -0.90 -4.73 117.00 115.96 2ww0 n LEU 310 Ca 0.17 -3.51 -0.18 0.00 -0.03 0.00 0.00 56.01 52.46 2ww0 n LEU 310 Cb 0.49 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2ww0 n LEU 310 CO 0.15 1.11 -1.10 0.18 -1.33 0.00 0.00 177.39 176.41 2ww0 n LEU 311 N -1.18 1.63 -4.97 2.23 4.77 -1.25 -0.91 117.00 117.31 2ww0 n LEU 311 Ca 0.17 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 56.09 2ww0 n LEU 311 Cb 0.68 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2ww0 n LEU 311 CO -0.02 0.46 0.19 -0.36 -1.33 0.00 0.00 177.39 176.33 2ww0 s PHE 312 N -2.33 1.81 0.16 -1.77 0.40 -1.26 -3.62 117.98 111.37 2ww0 s PHE 312 Ca -0.24 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.25 2ww0 s PHE 312 Cb 0.09 -2.14 -0.10 0.00 0.51 0.00 0.00 43.02 41.38 2ww0 s PHE 312 CO 0.33 -0.74 0.21 -0.35 0.70 0.00 0.00 175.22 175.37 2ww0 n PRO 313 N -1.97 0.00 -2.55 0.24 -0.04 -1.26 -5.00 135.00 124.43 2ww0 n PRO 313 Ca 0.08 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 2ww0 n PRO 313 Cb 0.62 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 2ww0 n PRO 313 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2ww0 s ARG 314 N -0.59 3.83 0.26 0.54 1.70 -0.36 -4.75 118.95 119.58 2ww0 s ARG 314 Ca 0.37 0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 56.02 2ww0 s ARG 314 Cb -0.48 -2.25 -0.11 0.00 -0.57 0.00 0.00 34.95 31.54 2ww0 s ARG 314 CO 0.34 -0.20 1.54 0.15 -1.08 0.00 0.00 175.30 176.05 2ww0 s LYS 315 N -4.12 4.18 -0.15 3.89 1.02 0.02 -1.93 119.74 122.66 2ww0 s LYS 315 Ca 0.55 2.46 0.15 0.00 0.02 0.00 0.00 55.97 59.15 2ww0 s LYS 315 Cb -0.10 -3.07 0.34 0.00 -0.52 0.00 0.00 37.83 34.48 2ww0 s LYS 315 CO 0.34 -0.56 1.17 0.34 -0.92 0.00 0.00 175.35 175.73 2ww0 n PHE 316 N 2.49 0.00 -4.38 3.18 7.35 0.17 -3.92 117.46 122.36 2ww0 n PHE 316 Ca 0.09 -1.15 -0.29 0.00 -0.76 0.00 0.00 57.45 55.33 2ww0 n PHE 316 Cb 0.38 -0.19 -0.13 0.00 0.35 0.00 0.00 39.48 39.90 2ww0 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww0 s TYR 317 N -2.84 2.33 0.16 -5.13 -0.85 -1.19 -4.39 117.35 105.45 2ww0 s TYR 317 Ca 0.33 -0.37 0.09 0.00 -0.52 0.00 0.00 57.07 56.61 2ww0 s TYR 317 Cb 0.31 -1.26 -0.04 0.00 0.38 0.00 0.00 41.96 41.35 2ww0 s TYR 317 CO -0.02 0.35 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.95 2ww0 s GLU 318 N -2.08 1.31 -0.04 -3.49 2.02 0.13 -4.91 118.70 111.64 2ww0 s GLU 318 Ca 0.15 -1.41 -0.21 0.00 0.02 0.00 0.00 54.97 53.51 2ww0 s GLU 318 Cb -0.10 -1.46 -0.05 0.00 0.10 0.00 0.00 34.13 32.62 2ww0 s GLU 318 CO 0.07 0.31 0.63 -0.51 0.02 0.00 0.00 175.26 175.77 2ww0 s LEU 319 N -2.58 4.37 0.00 1.80 1.02 -1.26 -0.96 118.68 121.07 2ww0 s LEU 319 Ca 0.16 1.14 -0.01 0.00 0.02 0.00 0.00 54.13 55.45 2ww0 s LEU 319 Cb -0.07 -2.97 0.03 0.00 0.02 0.00 0.00 46.19 43.21 2ww0 s LEU 319 CO 0.07 0.01 0.22 -0.90 0.02 0.00 0.00 176.35 175.77 2ww0 n ASP 320 N 3.22 0.25 0.04 2.29 5.68 -0.09 -4.86 116.55 123.08 2ww0 n ASP 320 Ca -0.05 -1.22 0.14 0.00 -0.50 0.00 0.00 54.79 53.16 2ww0 n ASP 320 Cb 0.51 -0.15 0.61 0.00 -1.14 0.00 0.00 41.12 40.95 2ww0 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ww0 h ALA 321 N -0.71 2.19 -0.54 2.12 0.00 -1.98 0.17 119.26 120.51 2ww0 h ALA 321 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ww0 h ALA 321 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ww0 h ALA 321 CO 0.07 -0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.12 2ww0 n ASN 322 N -4.45 3.82 -0.53 0.00 3.02 -1.26 -4.90 115.26 110.96 2ww0 n ASN 322 Ca 0.06 -2.30 -0.07 0.00 -0.03 0.00 0.00 54.58 52.24 2ww0 n ASN 322 Cb 0.38 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2ww0 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww0 n GLY 323 N 1.07 0.81 3.80 7.41 0.00 0.59 -5.00 105.19 113.86 2ww0 n GLY 323 Ca 0.21 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2ww0 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 324 N -2.24 4.40 0.24 1.61 -1.52 -1.26 -4.69 119.66 116.20 2ww0 s GLN 324 Ca 0.00 0.99 -0.30 0.00 -1.95 0.00 0.00 55.36 54.11 2ww0 s GLN 324 Cb 0.00 -3.12 -0.09 0.00 -0.22 0.00 0.00 33.01 29.58 2ww0 s GLN 324 CO 0.00 0.52 1.28 -1.25 -0.25 0.00 0.00 175.29 175.59 2ww0 s PRO 325 N -1.43 4.41 0.14 2.91 0.04 -1.26 -0.91 135.00 138.90 2ww0 s PRO 325 Ca 0.37 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 2ww0 s PRO 325 Cb -0.20 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2ww0 s PRO 325 CO 0.23 -0.18 0.13 0.96 0.04 0.00 0.00 177.00 178.18 2ww0 s ILE 326 N -0.32 0.09 -0.02 0.56 -4.36 -0.13 -1.40 121.20 115.62 2ww0 s ILE 326 Ca 0.53 -1.74 -0.20 0.00 -0.26 0.00 0.00 60.65 58.99 2ww0 s ILE 326 Cb -0.37 -1.99 0.04 0.00 1.25 0.00 0.00 42.46 41.39 2ww0 s ILE 326 CO 0.42 -0.40 0.43 -1.38 0.24 0.00 0.00 174.94 174.25 2ww0 s HIS 327 N -4.02 -0.33 0.02 1.37 -3.43 0.71 0.17 115.29 109.77 2ww0 s HIS 327 Ca 0.22 0.51 -0.30 0.00 -0.80 0.00 0.00 55.06 54.69 2ww0 s HIS 327 Cb 0.06 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2ww0 s HIS 327 CO 0.01 -0.48 1.09 -0.47 -2.00 0.00 0.00 174.74 172.90 2ww0 s TYR 328 N -1.47 3.52 -0.38 0.38 5.04 -1.26 -0.73 117.35 122.45 2ww0 s TYR 328 Ca -0.12 1.48 -0.25 0.00 -2.44 0.00 0.00 57.07 55.75 2ww0 s TYR 328 Cb -0.03 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 39.02 2ww0 s TYR 328 CO 0.05 -0.67 0.90 0.45 -1.34 0.00 0.00 175.55 174.94 2ww0 s SER 329 N 1.07 6.63 0.00 4.32 0.15 0.42 -4.88 113.70 121.41 2ww0 s SER 329 Ca 0.55 0.47 0.22 0.00 0.70 0.00 0.00 55.95 57.88 2ww0 s SER 329 Cb -0.25 -2.45 1.23 0.00 -1.71 0.00 0.00 66.02 62.84 2ww0 s SER 329 CO 0.28 -0.86 1.69 -0.81 1.20 0.00 0.00 173.24 174.73 2ww0 n PRO 330 N 6.76 0.55 -0.09 5.44 -0.05 -1.26 0.44 135.00 146.79 2ww0 n PRO 330 Ca 0.06 0.03 -0.18 0.00 -0.05 0.00 0.00 63.50 63.36 2ww0 n PRO 330 Cb 0.48 -1.50 -0.13 0.00 -0.05 0.00 0.00 33.50 32.30 2ww0 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2ww0 n TYR 331 N -1.10 0.36 -0.62 0.54 4.01 -1.26 -3.97 117.16 115.12 2ww0 n TYR 331 Ca 0.14 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2ww0 n TYR 331 Cb 0.11 -1.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.09 2ww0 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww0 n ASN 332 N -3.29 0.49 0.00 7.72 0.23 -1.20 -4.87 115.26 114.34 2ww0 n ASN 332 Ca -0.41 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 2ww0 n ASN 332 Cb 1.01 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.71 2ww0 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww0 n GLY 333 N -0.05 0.57 3.94 4.83 0.00 0.17 -5.00 105.19 109.65 2ww0 n GLY 333 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2ww0 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 334 N -0.33 3.04 -0.26 1.61 -0.21 -1.26 -4.73 119.66 117.52 2ww0 s GLN 334 Ca 0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 2ww0 s GLN 334 Cb 0.00 -2.47 -0.05 0.00 1.00 0.00 0.00 33.01 31.49 2ww0 s GLN 334 CO 0.00 -0.39 0.17 0.08 -2.12 0.00 0.00 175.29 173.03 2ww0 s VAL 335 N -2.69 5.33 0.17 1.09 1.01 -1.26 -0.44 120.40 123.61 2ww0 s VAL 335 Ca 0.50 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.69 2ww0 s VAL 335 Cb -0.10 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2ww0 s VAL 335 CO 0.40 0.31 -0.08 -0.76 0.00 0.00 0.00 175.10 174.97 2ww0 s LEU 336 N 1.34 2.45 0.60 3.92 1.43 0.09 -4.94 118.68 123.56 2ww0 s LEU 336 Ca 0.07 -1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 51.96 2ww0 s LEU 336 Cb -0.14 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 2ww0 s LEU 336 CO 0.07 -0.37 1.05 -2.16 0.23 0.00 0.00 176.35 175.18 2ww0 s PRO 337 N -3.77 3.30 0.00 1.29 0.04 -1.26 -0.20 135.00 134.40 2ww0 s PRO 337 Ca 0.20 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2ww0 s PRO 337 Cb 0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ww0 s PRO 337 CO 0.03 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2ww0 n GLY 338 N -1.10 1.66 3.76 0.56 0.00 -0.49 -4.79 105.19 104.79 2ww0 n GLY 338 Ca 0.09 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 2ww0 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww0 s TYR 339 N -2.34 2.47 -0.27 1.61 2.02 -1.26 -4.19 117.35 115.37 2ww0 s TYR 339 Ca 0.00 1.58 -0.17 0.00 -0.37 0.00 0.00 57.07 58.11 2ww0 s TYR 339 Cb 0.00 -3.15 0.08 0.00 -0.40 0.00 0.00 41.96 38.49 2ww0 s TYR 339 CO 0.00 -1.91 0.68 1.41 -1.57 0.00 0.00 175.55 174.16 2ww0 s MET 340 N -4.52 0.72 0.20 -0.62 -2.45 -1.26 -4.11 119.30 107.26 2ww0 s MET 340 Ca 0.65 1.18 0.07 0.00 -1.25 0.00 0.00 55.69 56.33 2ww0 s MET 340 Cb -0.20 0.18 -0.05 0.00 1.25 0.00 0.00 34.83 36.01 2ww0 s MET 340 CO 0.50 -0.14 -0.12 -0.06 1.05 0.00 0.00 175.02 176.25 2ww0 s PHE 341 N 1.43 1.65 0.22 4.11 0.40 -1.26 0.46 117.98 124.98 2ww0 s PHE 341 Ca -0.08 -0.64 -0.05 0.00 -0.60 0.00 0.00 56.93 55.55 2ww0 s PHE 341 Cb -0.05 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.69 2ww0 s PHE 341 CO -0.16 0.28 0.39 -2.37 0.70 0.00 0.00 175.22 174.05 2ww0 n THR 342 N -0.37 0.00 -2.83 0.64 5.66 -0.81 -4.85 114.28 111.72 2ww0 n THR 342 Ca -0.08 -0.81 -0.10 0.00 -3.05 0.00 0.00 64.05 60.02 2ww0 n THR 342 Cb 0.61 0.62 0.05 0.00 -1.55 0.00 0.00 70.33 70.06 2ww0 n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ww0 n ASP 343 N -1.54 -2.07 -3.82 1.09 8.00 0.58 -1.23 116.55 117.56 2ww0 n ASP 343 Ca -0.03 -0.36 -0.12 0.00 0.71 0.00 0.00 54.79 54.99 2ww0 n ASP 343 Cb 0.35 -3.19 -0.10 0.00 -0.02 0.00 0.00 41.12 38.16 2ww0 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww0 s THR 344 N -3.21 0.06 -0.22 -3.53 -1.32 -1.11 -4.33 115.64 101.98 2ww0 s THR 344 Ca 0.00 -0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 59.93 2ww0 s THR 344 Cb -0.00 -0.48 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 2ww0 s THR 344 CO 0.42 -0.28 -0.03 -0.83 -2.21 0.00 0.00 174.62 171.69 2ww0 s GLY 345 N -1.14 1.63 0.40 6.08 0.00 -1.26 -2.74 107.32 110.29 2ww0 s GLY 345 Ca -0.12 -1.14 0.18 0.00 0.00 0.00 0.00 44.72 43.63 2ww0 s GLY 345 CO 0.02 0.41 1.84 0.74 0.00 0.00 0.00 173.10 176.11 2ww0 h PHE 346 N 8.04 0.00 -0.50 1.90 0.04 -1.28 -1.95 116.94 123.18 2ww0 h PHE 346 Ca -0.40 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.51 2ww0 h PHE 346 Cb 1.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 2ww0 h PHE 346 CO 0.59 0.33 0.36 2.35 -0.60 0.00 0.00 178.31 181.34 2ww0 h TRP 347 N 0.00 0.01 0.00 -0.55 7.01 -1.83 -1.24 115.95 119.35 2ww0 h TRP 347 Ca -0.00 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 2ww0 h TRP 347 Cb 0.68 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 2ww0 h TRP 347 CO 0.00 0.00 -0.67 -0.44 -2.79 0.00 0.00 178.44 174.55 2ww0 h ASP 348 N 0.01 0.00 0.07 2.65 3.45 -1.80 -3.44 116.42 117.36 2ww0 h ASP 348 Ca 0.24 -0.41 0.00 0.00 0.43 0.00 0.00 57.03 57.29 2ww0 h ASP 348 Cb 0.95 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 2ww0 h ASP 348 CO -0.00 1.09 -0.29 0.35 -1.57 0.00 0.00 179.24 178.81 2ww0 n THR 349 N -4.56 0.00 0.12 0.35 -2.24 -0.79 -3.65 114.28 103.52 2ww0 n THR 349 Ca -0.17 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.33 2ww0 n THR 349 Cb 0.45 0.91 0.15 0.00 -2.10 0.00 0.00 70.33 69.75 2ww0 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww0 h PHE 350 N 2.31 0.10 0.22 4.78 -0.00 -1.50 -1.90 116.94 120.95 2ww0 h PHE 350 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 57.93 2ww0 h PHE 350 Cb 0.68 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 36.59 2ww0 h PHE 350 CO 0.00 0.67 -0.19 0.00 -0.00 0.00 0.00 178.31 178.79 2ww0 h ARG 351 N 0.06 -0.42 0.00 6.09 3.08 -1.80 -3.42 114.38 117.97 2ww0 h ARG 351 Ca -0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2ww0 h ARG 351 Cb 1.10 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2ww0 h ARG 351 CO 0.09 -0.28 0.00 0.00 -1.07 0.00 0.00 179.97 178.71 2ww0 h LEU 353 N 0.00 0.09 -0.15 0.00 7.12 -1.79 -2.22 115.31 118.35 2ww0 h LEU 353 Ca 0.00 -0.39 -0.13 0.00 0.13 0.00 0.00 57.88 57.49 2ww0 h LEU 353 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2ww0 h LEU 353 CO 0.00 0.46 -0.42 -0.26 -0.13 0.00 0.00 178.44 178.09 2ww0 h PHE 354 N -0.28 0.70 -1.02 1.25 0.04 -1.61 -2.70 116.94 113.33 2ww0 h PHE 354 Ca 0.01 -0.28 0.27 0.00 2.80 0.00 0.00 57.97 60.77 2ww0 h PHE 354 Cb 0.42 -0.12 -0.13 0.00 2.20 0.00 0.00 35.95 38.32 2ww0 h PHE 354 CO 0.06 1.03 0.60 -1.35 -0.60 0.00 0.00 178.31 178.06 2ww0 h PRO 355 N 0.18 0.48 -0.65 1.51 0.11 -1.81 0.22 132.00 132.04 2ww0 h PRO 355 Ca -0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2ww0 h PRO 355 Cb 1.03 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 2ww0 h PRO 355 CO 0.09 0.32 0.28 1.25 -0.21 0.00 0.00 178.00 179.73 2ww0 h LEU 356 N 0.49 0.86 -0.59 2.35 5.85 -1.07 -1.32 115.31 121.87 2ww0 h LEU 356 Ca 0.67 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 59.24 2ww0 h LEU 356 Cb 1.39 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2ww0 h LEU 356 CO -0.49 0.75 0.21 -0.07 -0.34 0.00 0.00 178.44 178.50 2ww0 h LEU 357 N 0.93 0.83 -1.28 2.25 3.38 -0.43 -1.63 115.31 119.37 2ww0 h LEU 357 Ca 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2ww0 h LEU 357 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ww0 h LEU 357 CO -0.02 0.80 0.20 0.78 0.09 0.00 0.00 178.44 180.29 2ww0 h ASN 358 N 0.82 0.63 -0.04 -0.43 -0.26 -0.73 1.05 115.58 116.63 2ww0 h ASN 358 Ca 0.19 -0.07 -0.09 0.00 -0.56 0.00 0.00 56.30 55.77 2ww0 h ASN 358 Cb 0.24 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 2ww0 h ASN 358 CO -0.01 0.57 -0.33 0.25 -1.06 0.00 0.00 177.43 176.85 2ww0 h LEU 359 N 0.70 0.36 0.00 1.61 5.85 -0.98 -3.38 115.31 119.47 2ww0 h LEU 359 Ca 0.17 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2ww0 h LEU 359 Cb 0.13 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2ww0 h LEU 359 CO -0.02 0.99 -0.75 0.23 -0.34 0.00 0.00 178.44 178.56 2ww0 n MET 360 N -4.43 2.49 -2.80 1.25 2.81 -0.64 -4.80 117.12 111.00 2ww0 n MET 360 Ca -0.09 -0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.76 2ww0 n MET 360 Cb 0.51 -0.91 0.05 0.00 -0.71 0.00 0.00 33.22 32.16 2ww0 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww0 n TYR 361 N -1.40 1.29 -0.31 2.03 4.01 0.32 -4.54 117.16 118.56 2ww0 n TYR 361 Ca -0.00 -2.23 0.14 0.00 -0.16 0.00 0.00 57.90 55.65 2ww0 n TYR 361 Cb 0.07 -0.25 0.37 0.00 -0.31 0.00 0.00 39.34 39.22 2ww0 n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ww0 h PRO 362 N 2.65 0.67 -0.82 -0.72 0.13 -0.55 0.43 132.00 133.79 2ww0 h PRO 362 Ca -0.12 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 65.15 2ww0 h PRO 362 Cb 1.26 -0.15 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 2ww0 h PRO 362 CO 0.24 0.44 0.30 0.77 -0.23 0.00 0.00 178.00 179.53 2ww0 h SER 363 N 0.69 0.21 -0.20 1.44 0.02 -1.90 -1.04 113.55 112.78 2ww0 h SER 363 Ca 0.52 0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 61.51 2ww0 h SER 363 Cb 0.90 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2ww0 h SER 363 CO -0.29 0.01 -0.29 0.58 -1.14 0.00 0.00 176.83 175.71 2ww0 h VAL 364 N 0.37 1.33 -0.54 2.27 2.07 -0.51 -3.22 116.25 118.02 2ww0 h VAL 364 Ca 0.49 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 2ww0 h VAL 364 Cb 0.86 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2ww0 h VAL 364 CO -0.50 0.46 0.26 -1.13 0.02 0.00 0.00 177.57 176.68 2ww0 h ASN 365 N 0.22 0.68 -0.58 0.57 -0.73 -0.85 -1.74 115.58 113.15 2ww0 h ASN 365 Ca 0.02 -0.06 0.12 0.00 1.87 0.00 0.00 56.30 58.25 2ww0 h ASN 365 Cb 0.86 -0.17 -0.10 0.00 0.27 0.00 0.00 38.32 39.18 2ww0 h ASN 365 CO 0.07 0.58 -0.02 0.11 -0.37 0.00 0.00 177.43 177.80 2ww0 h LYS 366 N 0.76 0.09 -0.83 6.67 6.56 -1.23 2.61 116.57 131.21 2ww0 h LYS 366 Ca 0.19 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.76 2ww0 h LYS 366 Cb 0.08 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.68 2ww0 h LYS 366 CO -0.03 0.06 0.46 1.49 -2.06 0.00 0.00 179.45 179.38 2ww0 h GLU 367 N 0.09 1.14 -0.29 3.15 4.81 -1.39 -1.43 114.58 120.67 2ww0 h GLU 367 Ca 0.30 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2ww0 h GLU 367 Cb 0.47 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ww0 h GLU 367 CO -0.51 0.83 -0.22 0.52 -0.73 0.00 0.00 179.01 178.89 2ww0 h MET 368 N 1.15 0.67 -0.21 1.92 2.86 0.36 -1.85 114.93 119.82 2ww0 h MET 368 Ca 0.29 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2ww0 h MET 368 Cb 0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2ww0 h MET 368 CO -0.05 0.93 0.09 1.96 1.06 0.00 0.00 176.91 180.91 2ww0 h GLN 369 N 0.42 0.32 -0.94 1.72 1.08 0.38 -1.64 115.11 116.44 2ww0 h GLN 369 Ca 0.06 -0.05 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 2ww0 h GLN 369 Cb 0.77 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 28.07 2ww0 h GLN 369 CO 0.06 0.36 0.60 0.93 -0.95 0.00 0.00 178.83 179.82 2ww0 h GLU 370 N 0.20 0.73 -0.85 1.46 4.39 -1.12 0.15 114.58 119.55 2ww0 h GLU 370 Ca 0.07 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2ww0 h GLU 370 Cb 0.15 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2ww0 h GLU 370 CO -0.01 0.48 0.44 0.78 -1.16 0.00 0.00 179.01 179.54 2ww0 h GLY 371 N 0.75 1.29 0.96 -3.84 0.00 -0.64 -2.42 103.07 99.17 2ww0 h GLY 371 Ca 0.48 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2ww0 h GLY 371 CO -0.25 0.58 0.19 1.41 0.00 0.00 0.00 176.54 178.48 2ww0 h LEU 372 N 1.20 0.63 -0.66 3.11 3.38 0.18 -0.57 115.31 122.57 2ww0 h LEU 372 Ca 0.30 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2ww0 h LEU 372 Cb 0.07 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 2ww0 h LEU 372 CO -0.04 0.61 0.15 0.40 0.09 0.00 0.00 178.44 179.65 2ww0 h ILE 373 N 0.60 0.58 -0.45 1.22 1.08 -1.07 -0.96 117.51 118.50 2ww0 h ILE 373 Ca 0.15 -0.09 -0.05 0.00 -0.39 0.00 0.00 64.86 64.48 2ww0 h ILE 373 Cb 0.17 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 2ww0 h ILE 373 CO -0.01 0.05 0.07 0.78 -0.69 0.00 0.00 178.15 178.34 2ww0 h ASN 374 N 0.27 0.65 -0.70 1.72 -0.26 -0.91 -0.87 115.58 115.47 2ww0 h ASN 374 Ca 0.36 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2ww0 h ASN 374 Cb 0.57 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.62 2ww0 h ASN 374 CO -0.45 0.68 0.45 0.74 -1.06 0.00 0.00 177.43 177.79 2ww0 h THR 375 N 0.67 1.19 -0.15 2.81 2.02 0.12 0.12 112.91 119.69 2ww0 h THR 375 Ca 0.15 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2ww0 h THR 375 Cb 0.32 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2ww0 h THR 375 CO 0.01 0.19 0.06 0.22 0.37 0.00 0.00 175.52 176.36 2ww0 h TYR 376 N 0.95 0.24 -0.94 3.16 3.20 -0.86 0.21 116.97 122.93 2ww0 h TYR 376 Ca 0.25 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2ww0 h TYR 376 Cb -0.08 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 2ww0 h TYR 376 CO -0.02 0.32 0.60 -0.07 -1.64 0.00 0.00 178.16 177.35 2ww0 h LEU 377 N 0.09 1.09 0.00 2.82 3.38 -0.79 0.32 115.31 122.22 2ww0 h LEU 377 Ca 0.05 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2ww0 h LEU 377 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2ww0 h LEU 377 CO -0.00 0.80 -0.67 -0.33 0.09 0.00 0.00 178.44 178.33 2ww0 h GLU 378 N 1.28 0.00 0.00 1.13 5.08 -0.67 -3.40 114.58 117.99 2ww0 h GLU 378 Ca 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 2ww0 h GLU 378 Cb -0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2ww0 h GLU 378 CO -0.07 0.17 -1.47 -1.13 -1.00 0.00 0.00 179.01 175.52 2ww0 n SER 379 N -2.97 3.35 0.00 1.42 3.41 0.73 -4.40 113.62 115.16 2ww0 n SER 379 Ca -0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2ww0 n SER 379 Cb 0.64 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2ww0 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww0 n GLY 380 N 2.73 2.97 3.28 5.00 0.00 0.11 -5.03 105.19 114.26 2ww0 n GLY 380 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2ww0 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 381 N -2.72 1.47 0.40 1.61 0.40 -1.25 -4.97 117.98 112.92 2ww0 s PHE 381 Ca 0.00 -0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 55.48 2ww0 s PHE 381 Cb 0.00 -0.73 -0.10 0.00 0.51 0.00 0.00 43.02 42.70 2ww0 s PHE 381 CO 0.00 0.20 0.96 -0.06 0.70 0.00 0.00 175.22 177.02 2ww0 s PHE 382 N -2.77 3.40 0.54 0.36 0.08 -1.26 -3.21 117.98 115.12 2ww0 s PHE 382 Ca 0.16 1.66 -0.16 0.00 0.12 0.00 0.00 56.93 58.70 2ww0 s PHE 382 Cb -0.01 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.48 2ww0 s PHE 382 CO 0.04 -0.08 1.01 -1.25 -0.10 0.00 0.00 175.22 174.83 2ww0 s PRO 383 N -2.83 3.74 0.00 0.24 0.04 -1.26 -4.56 135.00 130.37 2ww0 s PRO 383 Ca 0.59 1.04 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 2ww0 s PRO 383 Cb -0.13 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2ww0 s PRO 383 CO 0.17 -0.45 -0.11 0.39 0.04 0.00 0.00 177.00 177.04 2ww0 n GLU 384 N -1.72 0.17 -4.31 4.56 -0.58 -1.26 -4.60 120.64 112.90 2ww0 n GLU 384 Ca 0.07 0.07 -0.34 0.00 -0.42 0.00 0.00 57.16 56.54 2ww0 n GLU 384 Cb 0.54 -0.80 -0.14 0.00 -0.57 0.00 0.00 31.44 30.46 2ww0 n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2ww0 s TRP 385 N -2.28 2.88 -0.10 -0.32 -0.00 -1.26 -0.73 118.94 117.12 2ww0 s TRP 385 Ca -0.10 -0.88 0.00 0.00 -0.00 0.00 0.00 56.10 55.13 2ww0 s TRP 385 Cb 0.02 -1.97 0.02 0.00 -0.00 0.00 0.00 33.47 31.54 2ww0 s TRP 385 CO 0.14 -0.42 -0.09 0.00 -0.00 0.00 0.00 176.95 176.58 2ww0 s ALA 386 N 0.95 1.32 -0.22 5.86 0.00 -1.11 -1.33 121.76 127.23 2ww0 s ALA 386 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 2ww0 s ALA 386 Cb -0.15 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.27 2ww0 s ALA 386 CO -0.00 -0.26 0.42 0.45 0.00 0.00 0.00 175.76 176.37 2ww0 s SER 387 N 1.40 -0.20 0.24 0.00 0.15 -1.26 -0.30 113.70 113.72 2ww0 s SER 387 Ca -0.01 0.78 0.07 0.00 0.70 0.00 0.00 55.95 57.49 2ww0 s SER 387 Cb -0.13 1.36 0.72 0.00 -1.71 0.00 0.00 66.02 66.25 2ww0 s SER 387 CO -0.05 -0.25 1.13 -0.81 1.20 0.00 0.00 173.24 174.46 2ww0 n PRO 388 N 5.39 -0.05 -0.26 5.44 -0.04 -1.26 -4.46 135.00 139.76 2ww0 n PRO 388 Ca -0.07 1.04 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 2ww0 n PRO 388 Cb 0.50 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2ww0 n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 389 N -1.29 0.30 3.71 0.55 0.00 0.12 -4.67 105.19 103.92 2ww0 n GLY 389 Ca 0.21 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2ww0 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww0 s HIS 390 N 0.29 3.09 0.15 1.61 3.76 -1.26 -4.16 115.29 118.77 2ww0 s HIS 390 Ca 0.00 0.75 0.08 0.00 -0.15 0.00 0.00 55.06 55.74 2ww0 s HIS 390 Cb 0.00 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 2ww0 s HIS 390 CO 0.00 -2.99 -0.18 1.03 -0.85 0.00 0.00 174.74 171.75 2ww0 s ARG 391 N 1.27 1.23 -0.57 1.40 1.81 -0.45 -4.33 118.95 119.32 2ww0 s ARG 391 Ca 0.68 -1.35 -0.19 0.00 -1.72 0.00 0.00 55.73 53.14 2ww0 s ARG 391 Cb -0.40 -1.32 0.09 0.00 -0.45 0.00 0.00 34.95 32.87 2ww0 s ARG 391 CO 0.31 0.27 0.68 0.20 -0.68 0.00 0.00 175.30 176.08 2ww0 s GLY 392 N -2.52 1.77 -0.23 -3.53 0.00 -1.26 -4.40 107.32 97.15 2ww0 s GLY 392 Ca 0.14 -2.08 -0.15 0.00 0.00 0.00 0.00 44.72 42.63 2ww0 s GLY 392 CO 0.06 1.55 0.58 0.00 0.00 0.00 0.00 173.10 175.29 2ww0 n MET 394 N 4.00 0.00 -4.16 0.00 2.81 -1.26 -4.65 117.12 113.86 2ww0 n MET 394 Ca -0.20 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.55 2ww0 n MET 394 Cb 0.57 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.01 2ww0 n MET 394 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ww0 s VAL 395 N 0.00 0.00 0.00 2.03 -7.23 -1.26 -4.68 120.40 109.26 2ww0 s VAL 395 Ca 0.00 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2ww0 s VAL 395 Cb 0.00 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2ww0 s VAL 395 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2ww0 n GLY 396 N -0.44 0.42 2.12 2.32 0.00 -1.26 -4.68 105.19 103.67 2ww0 n GLY 396 Ca 0.03 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 2ww0 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww0 n ASN 397 N -0.74 4.89 0.03 1.61 5.15 -1.26 -4.84 115.26 120.10 2ww0 n ASN 397 Ca 0.00 -3.74 0.08 0.00 -0.60 0.00 0.00 54.58 50.31 2ww0 n ASN 397 Cb 0.00 -0.37 0.33 0.00 -0.53 0.00 0.00 39.78 39.21 2ww0 n ASN 397 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ww0 n ASN 398 N -0.66 0.16 -0.29 1.20 4.13 -1.26 -1.29 115.26 117.25 2ww0 n ASN 398 Ca 0.43 0.54 0.34 0.00 1.68 0.00 0.00 54.58 57.57 2ww0 n ASN 398 Cb 0.90 -0.58 0.74 0.00 -1.54 0.00 0.00 39.78 39.31 2ww0 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww0 h SER 399 N 0.00 0.00 -0.63 6.41 4.64 -1.89 1.01 113.55 123.09 2ww0 h SER 399 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2ww0 h SER 399 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2ww0 h SER 399 CO 0.00 0.00 0.25 0.00 -0.87 0.00 0.00 176.83 176.21 2ww0 h ALA 400 N 1.39 1.20 -0.12 5.18 0.00 -1.57 -0.12 119.26 125.22 2ww0 h ALA 400 Ca 0.53 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2ww0 h ALA 400 Cb 2.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 2ww0 h ALA 400 CO -0.01 0.58 -0.14 1.03 0.00 0.00 0.00 179.25 180.71 2ww0 h SER 401 N 0.96 0.34 -0.24 0.00 0.87 0.83 -1.41 113.55 114.90 2ww0 h SER 401 Ca 0.22 -0.50 0.06 0.00 -1.23 0.00 0.00 61.79 60.34 2ww0 h SER 401 Cb 0.20 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 2ww0 h SER 401 CO -0.02 0.77 -0.16 0.40 -0.53 0.00 0.00 176.83 177.29 2ww0 h ILE 402 N -0.08 0.55 -0.12 2.23 1.08 -1.10 0.14 117.51 120.21 2ww0 h ILE 402 Ca 0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 2ww0 h ILE 402 Cb 0.68 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2ww0 h ILE 402 CO 0.03 0.00 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.42 2ww0 h LEU 403 N -0.15 0.20 -0.28 1.44 3.38 -1.00 -2.57 115.31 116.34 2ww0 h LEU 403 Ca 0.13 -0.32 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 2ww0 h LEU 403 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ww0 h LEU 403 CO -0.33 0.47 -0.48 0.58 0.09 0.00 0.00 178.44 178.78 2ww0 h VAL 404 N -0.07 1.29 -0.70 1.22 2.07 -1.18 -2.38 116.25 116.50 2ww0 h VAL 404 Ca 0.03 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 65.93 2ww0 h VAL 404 Cb 0.37 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2ww0 h VAL 404 CO 0.01 0.54 0.41 -0.78 0.02 0.00 0.00 177.57 177.77 2ww0 h ASP 405 N 0.58 0.64 0.22 0.57 3.58 -0.74 0.44 116.42 121.71 2ww0 h ASP 405 Ca 0.02 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2ww0 h ASP 405 Cb 1.09 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2ww0 h ASP 405 CO 0.11 0.42 -0.10 0.00 -2.88 0.00 0.00 179.24 176.79 2ww0 h ALA 406 N 1.34 -0.29 -0.23 -0.78 0.00 -1.37 -1.87 119.26 116.06 2ww0 h ALA 406 Ca 0.30 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2ww0 h ALA 406 Cb 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2ww0 h ALA 406 CO -0.16 -0.63 0.10 -0.92 0.00 0.00 0.00 179.25 177.64 2ww0 h TYR 407 N -0.36 0.19 0.00 0.00 5.03 -1.09 -0.69 116.97 120.05 2ww0 h TYR 407 Ca -0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2ww0 h TYR 407 Cb 0.27 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2ww0 h TYR 407 CO -0.04 0.10 0.00 0.52 -1.32 0.00 0.00 178.16 177.42 2ww0 h MET 408 N 0.22 0.00 -0.42 1.82 2.86 -0.87 -2.43 114.93 116.12 2ww0 h MET 408 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2ww0 h MET 408 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2ww0 h MET 408 CO -0.07 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.53 2ww0 n LYS 409 N -2.38 3.37 -0.09 1.72 5.02 -0.53 -4.94 118.16 120.32 2ww0 n LYS 409 Ca 0.00 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 2ww0 n LYS 409 Cb 0.15 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2ww0 n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 410 N 0.28 0.53 3.37 0.72 0.00 -0.91 -5.02 105.19 104.16 2ww0 n GLY 410 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 2ww0 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww0 s VAL 411 N -2.24 5.11 -0.18 1.61 1.01 -0.38 -5.01 120.40 120.32 2ww0 s VAL 411 Ca 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 2ww0 s VAL 411 Cb 0.00 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2ww0 s VAL 411 CO 0.00 -1.18 -0.06 -0.54 0.00 0.00 0.00 175.10 173.32 2ww0 s LYS 412 N 1.69 3.47 0.73 2.72 1.02 -1.26 -2.95 119.74 125.16 2ww0 s LYS 412 Ca 0.19 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 2ww0 s LYS 412 Cb -0.14 -2.90 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 2ww0 s LYS 412 CO -0.04 0.02 1.09 0.14 -0.92 0.00 0.00 175.35 175.65 2ww0 s VAL 413 N 0.90 3.37 0.10 3.17 -7.23 -1.26 -4.98 120.40 114.47 2ww0 s VAL 413 Ca -0.01 0.50 -0.15 0.00 -1.81 0.00 0.00 61.98 60.50 2ww0 s VAL 413 Cb -0.15 -3.01 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 2ww0 s VAL 413 CO 0.01 -0.53 1.43 0.44 -0.31 0.00 0.00 175.10 176.14 2ww0 h ASP 414 N -0.77 0.69 -2.42 4.85 3.32 -1.99 -3.38 116.42 116.73 2ww0 h ASP 414 Ca -0.44 -0.45 -0.76 0.00 0.02 0.00 0.00 57.03 55.40 2ww0 h ASP 414 Cb 1.23 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.39 2ww0 h ASP 414 CO 0.53 0.99 1.21 -0.67 -1.72 0.00 0.00 179.24 179.58 2ww0 n ASP 415 N -4.33 5.32 0.18 6.45 -0.08 -1.26 -4.81 116.55 118.02 2ww0 n ASP 415 Ca -0.04 -3.02 0.02 0.00 -1.51 0.00 0.00 54.79 50.24 2ww0 n ASP 415 Cb 0.43 -1.51 0.33 0.00 2.34 0.00 0.00 41.12 42.71 2ww0 n ASP 415 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2ww0 h ILE 416 N 4.28 1.30 -0.41 5.18 2.04 -2.00 -2.46 117.51 125.44 2ww0 h ILE 416 Ca 0.29 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.76 2ww0 h ILE 416 Cb 0.84 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2ww0 h ILE 416 CO 1.24 0.40 0.22 0.50 0.00 0.00 0.00 178.15 180.51 2ww0 h LYS 417 N 0.00 0.43 -0.48 2.37 3.64 -1.97 -1.52 116.57 119.04 2ww0 h LYS 417 Ca -0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2ww0 h LYS 417 Cb 0.73 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2ww0 h LYS 417 CO 0.05 0.28 0.15 1.15 -2.27 0.00 0.00 179.45 178.81 2ww0 h THR 418 N 0.44 1.23 -0.28 1.00 2.02 -1.91 -1.53 112.91 113.87 2ww0 h THR 418 Ca 0.17 -0.76 0.06 0.00 0.77 0.00 0.00 66.41 66.65 2ww0 h THR 418 Cb 0.06 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2ww0 h THR 418 CO -0.11 0.28 -0.12 0.25 0.37 0.00 0.00 175.52 176.19 2ww0 h LEU 419 N 0.64 -0.42 -0.37 2.58 5.85 -1.00 0.44 115.31 123.03 2ww0 h LEU 419 Ca 0.15 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 2ww0 h LEU 419 Cb 0.28 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2ww0 h LEU 419 CO -0.00 -0.16 -0.04 0.22 -0.34 0.00 0.00 178.44 178.12 2ww0 h TYR 420 N -0.08 0.75 -0.50 1.25 3.20 -1.14 -1.46 116.97 118.99 2ww0 h TYR 420 Ca 0.14 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2ww0 h TYR 420 Cb 0.30 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2ww0 h TYR 420 CO -0.32 0.80 0.32 0.93 -1.64 0.00 0.00 178.16 178.25 2ww0 h GLU 421 N 0.48 0.62 -0.28 1.82 5.08 -0.83 -0.96 114.58 120.51 2ww0 h GLU 421 Ca 0.10 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2ww0 h GLU 421 Cb 0.52 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2ww0 h GLU 421 CO 0.03 0.41 -0.07 0.78 -1.00 0.00 0.00 179.01 179.16 2ww0 h GLY 422 N 0.64 0.21 0.58 -3.84 0.00 0.09 0.12 103.07 100.87 2ww0 h GLY 422 Ca 0.19 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.66 2ww0 h GLY 422 CO -0.07 -0.11 -0.03 1.41 0.00 0.00 0.00 176.54 177.75 2ww0 h LEU 423 N 0.00 -0.15 -0.82 3.11 3.38 -0.62 -2.06 115.31 118.14 2ww0 h LEU 423 Ca 0.14 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2ww0 h LEU 423 Cb 0.21 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2ww0 h LEU 423 CO -0.29 -0.05 0.16 0.40 0.09 0.00 0.00 178.44 178.75 2ww0 h ILE 424 N 0.04 1.25 -0.94 1.22 1.08 -0.81 -2.46 117.51 116.89 2ww0 h ILE 424 Ca 0.11 -0.93 0.06 0.00 -0.39 0.00 0.00 64.86 63.72 2ww0 h ILE 424 Cb 0.16 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 2ww0 h ILE 424 CO -0.22 0.35 0.61 -0.74 -0.69 0.00 0.00 178.15 177.47 2ww0 h HIS 425 N 0.99 1.10 0.00 1.37 2.76 -0.22 -2.10 115.15 119.05 2ww0 h HIS 425 Ca 0.21 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2ww0 h HIS 425 Cb 0.35 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2ww0 h HIS 425 CO 0.03 0.57 0.00 0.41 -1.30 0.00 0.00 177.93 177.64 2ww0 n GLY 426 N -1.38 -1.44 0.11 5.26 0.00 -0.83 -2.72 105.19 104.19 2ww0 n GLY 426 Ca 0.14 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2ww0 n GLY 426 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ww0 h THR 427 N 0.00 0.00 0.00 2.61 1.35 -1.33 -3.07 112.91 112.47 2ww0 h THR 427 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2ww0 h THR 427 Cb 0.50 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2ww0 h THR 427 CO 0.00 0.00 -0.09 -1.84 -0.25 0.00 0.00 175.52 173.34 2ww0 n GLU 428 N -2.37 1.34 -4.00 4.72 0.28 -1.10 -4.85 120.64 114.66 2ww0 n GLU 428 Ca 0.04 -1.54 -0.09 0.00 -0.16 0.00 0.00 57.16 55.41 2ww0 n GLU 428 Cb 0.46 -0.96 -0.11 0.00 1.43 0.00 0.00 31.44 32.26 2ww0 n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2ww0 s ASN 429 N -1.38 0.33 0.01 -1.84 0.01 -1.11 -5.00 114.94 105.96 2ww0 s ASN 429 Ca 0.10 -0.57 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 2ww0 s ASN 429 Cb 0.09 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.84 2ww0 s ASN 429 CO 0.01 -0.33 -0.14 0.54 -1.51 0.00 0.00 177.10 175.67 2ww0 s VAL 430 N -1.77 1.10 0.28 1.60 0.11 -1.26 -0.96 120.40 119.49 2ww0 s VAL 430 Ca -0.12 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 57.89 2ww0 s VAL 430 Cb -0.08 -0.94 -0.11 0.00 -1.53 0.00 0.00 36.38 33.72 2ww0 s VAL 430 CO -0.02 0.21 1.60 -2.28 -3.33 0.00 0.00 175.10 171.28 2ww0 s HIS 431 N -0.50 2.77 0.43 1.54 2.46 0.54 -4.89 115.29 117.63 2ww0 s HIS 431 Ca 0.04 0.74 0.09 0.00 0.47 0.00 0.00 55.06 56.41 2ww0 s HIS 431 Cb -0.06 -4.07 0.94 0.00 -0.13 0.00 0.00 32.58 29.25 2ww0 s HIS 431 CO 0.00 -3.65 2.06 -1.35 -2.47 0.00 0.00 174.74 169.33 2ww0 h PRO 432 N 5.03 0.45 0.00 2.88 0.11 -2.00 -3.25 132.00 135.22 2ww0 h PRO 432 Ca -0.47 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 2ww0 h PRO 432 Cb 1.22 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2ww0 h PRO 432 CO 0.81 0.30 -1.74 0.39 -0.21 0.00 0.00 178.00 177.55 2ww0 n GLU 433 N -4.48 1.97 -3.56 1.05 4.71 -1.26 -4.89 120.64 114.17 2ww0 n GLU 433 Ca 0.03 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.78 2ww0 n GLU 433 Cb 0.11 -1.27 -0.08 0.00 -1.01 0.00 0.00 31.44 29.18 2ww0 n GLU 433 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ww0 s VAL 434 N -2.26 4.27 -0.67 2.62 1.01 -1.23 -4.94 120.40 119.21 2ww0 s VAL 434 Ca -0.07 -2.14 0.18 0.00 0.00 0.00 0.00 61.98 59.95 2ww0 s VAL 434 Cb 0.03 -3.78 0.18 0.00 0.00 0.00 0.00 36.38 32.81 2ww0 s VAL 434 CO 0.42 -0.83 1.56 -1.54 0.00 0.00 0.00 175.10 174.71 2ww0 n SER 435 N 4.47 0.38 -0.62 3.32 3.41 -1.26 -1.29 113.62 122.02 2ww0 n SER 435 Ca -0.01 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 2ww0 n SER 435 Cb 0.41 -0.68 0.30 0.00 -0.26 0.00 0.00 64.21 63.97 2ww0 n SER 435 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ww0 n SER 436 N -1.93 1.84 -4.30 4.04 3.41 -1.26 -4.15 113.62 111.26 2ww0 n SER 436 Ca 0.02 -1.82 -0.34 0.00 -0.26 0.00 0.00 58.87 56.47 2ww0 n SER 436 Cb 0.17 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 2ww0 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww0 s THR 437 N -1.68 3.17 0.00 6.66 2.01 -0.41 -4.60 115.64 120.79 2ww0 s THR 437 Ca 0.30 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.73 2ww0 s THR 437 Cb 0.16 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2ww0 s THR 437 CO 0.23 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 2ww0 n GLY 438 N 4.52 -1.87 3.18 4.40 0.00 -1.26 -0.34 105.19 113.82 2ww0 n GLY 438 Ca -0.18 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 2ww0 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww0 s ARG 439 N 0.00 2.32 0.28 1.61 0.52 -0.14 -4.77 118.95 118.77 2ww0 s ARG 439 Ca 0.00 -1.80 -0.30 0.00 -0.52 0.00 0.00 55.73 53.11 2ww0 s ARG 439 Cb 0.00 -3.81 -0.12 0.00 0.52 0.00 0.00 34.95 31.54 2ww0 s ARG 439 CO 0.00 -1.16 1.63 -1.17 0.02 0.00 0.00 175.30 174.62 2ww0 s LEU 440 N 1.26 4.35 -0.02 2.53 2.96 -1.26 -2.39 118.68 126.11 2ww0 s LEU 440 Ca 0.07 2.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 2ww0 s LEU 440 Cb -0.25 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.81 2ww0 s LEU 440 CO -0.02 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 174.68 2ww0 n GLY 441 N 2.53 0.47 0.30 7.98 0.00 -1.26 -4.93 105.19 110.28 2ww0 n GLY 441 Ca 0.10 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.88 2ww0 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww0 h TYR 442 N 0.00 0.00 0.67 1.61 -0.00 -1.80 -1.85 116.97 115.60 2ww0 h TYR 442 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2ww0 h TYR 442 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.75 2ww0 h TYR 442 CO 0.02 0.00 -0.43 0.93 -0.00 0.00 0.00 178.16 178.68 2ww0 h GLU 443 N 0.00 -1.00 0.12 0.10 3.07 -1.91 0.96 114.58 115.93 2ww0 h GLU 443 Ca 0.07 0.07 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2ww0 h GLU 443 Cb 0.28 0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 2ww0 h GLU 443 CO -0.00 -0.67 -0.21 1.88 -1.40 0.00 0.00 179.01 178.61 2ww0 h TYR 444 N -1.04 -0.56 -0.26 4.33 0.05 -1.76 -1.32 116.97 116.41 2ww0 h TYR 444 Ca -0.09 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.77 2ww0 h TYR 444 Cb 0.84 0.23 -0.07 0.00 1.01 0.00 0.00 36.73 38.74 2ww0 h TYR 444 CO -0.11 -0.31 -0.24 -0.92 -1.05 0.00 0.00 178.16 175.53 2ww0 h TYR 445 N -0.41 -0.64 -0.36 4.88 3.20 -1.22 1.23 116.97 123.66 2ww0 h TYR 445 Ca 0.02 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2ww0 h TYR 445 Cb 0.42 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 2ww0 h TYR 445 CO -0.20 -0.32 0.03 -0.91 -1.64 0.00 0.00 178.16 175.13 2ww0 h ASN 446 N -0.24 0.50 0.08 -2.11 -0.26 -0.67 0.24 115.58 113.12 2ww0 h ASN 446 Ca 0.14 -0.09 -0.14 0.00 -0.56 0.00 0.00 56.30 55.65 2ww0 h ASN 446 Cb 0.46 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 2ww0 h ASN 446 CO -0.40 0.55 -0.68 0.50 -1.06 0.00 0.00 177.43 176.34 2ww0 h LYS 447 N 0.52 0.17 0.00 0.81 3.64 0.03 -3.40 116.57 118.35 2ww0 h LYS 447 Ca 0.12 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2ww0 h LYS 447 Cb 0.29 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2ww0 h LYS 447 CO 0.01 1.14 -1.75 1.28 -2.27 0.00 0.00 179.45 177.85 2ww0 n LEU 448 N -4.28 0.29 0.00 5.20 7.99 0.41 -4.98 117.00 121.63 2ww0 n LEU 448 Ca -0.16 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2ww0 n LEU 448 Cb 0.71 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 44.07 2ww0 n LEU 448 CO 0.40 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 2ww0 n GLY 449 N 1.31 0.59 3.60 -0.72 0.00 0.84 -5.03 105.19 105.78 2ww0 n GLY 449 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2ww0 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 450 N -2.32 -0.12 -0.36 1.61 1.13 -1.24 -4.73 117.35 111.33 2ww0 s TYR 450 Ca 0.00 -0.24 -0.15 0.00 -1.41 0.00 0.00 57.07 55.27 2ww0 s TYR 450 Cb 0.00 0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 2ww0 s TYR 450 CO 0.00 -0.99 0.37 0.08 -2.51 0.00 0.00 175.55 172.49 2ww0 s VAL 451 N -3.89 5.16 0.50 -3.49 1.01 -1.26 -3.09 120.40 115.34 2ww0 s VAL 451 Ca 0.10 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2ww0 s VAL 451 Cb -0.02 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2ww0 s VAL 451 CO -0.00 -0.15 0.90 -2.65 0.00 0.00 0.00 175.10 173.20 2ww0 n PRO 452 N 5.40 1.05 0.11 2.72 -0.02 -1.26 -4.45 135.00 138.55 2ww0 n PRO 452 Ca -0.09 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2ww0 n PRO 452 Cb 0.49 -2.00 0.41 0.00 -0.02 0.00 0.00 33.50 32.38 2ww0 n PRO 452 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2ww0 n TYR 453 N -1.07 0.92 -1.70 6.00 4.19 0.44 -4.04 117.16 121.90 2ww0 n TYR 453 Ca 0.11 0.27 0.01 0.00 3.31 0.00 0.00 57.90 61.60 2ww0 n TYR 453 Cb 0.43 -0.95 0.17 0.00 0.49 0.00 0.00 39.34 39.49 2ww0 n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2ww0 n ASP 454 N -2.26 2.22 -0.28 2.98 5.75 -1.26 -4.70 116.55 119.00 2ww0 n ASP 454 Ca 0.05 -3.83 0.08 0.00 -0.01 0.00 0.00 54.79 51.09 2ww0 n ASP 454 Cb 0.41 -0.49 0.17 0.00 -1.03 0.00 0.00 41.12 40.18 2ww0 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww0 n VAL 455 N -1.01 2.02 -1.72 2.12 0.24 -1.26 -4.90 118.33 113.82 2ww0 n VAL 455 Ca 0.23 -2.66 -0.10 0.00 -2.04 0.00 0.00 64.34 59.77 2ww0 n VAL 455 Cb 0.75 -0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 2ww0 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww0 n LYS 456 N -1.31 -0.75 -4.06 7.34 4.76 -1.26 -4.99 118.16 117.89 2ww0 n LYS 456 Ca 0.17 0.68 -0.32 0.00 -2.87 0.00 0.00 58.31 55.97 2ww0 n LYS 456 Cb 0.66 -4.67 -0.15 0.00 -1.84 0.00 0.00 35.03 29.03 2ww0 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ww0 s ILE 457 N -2.43 1.98 0.43 -0.18 1.01 -1.26 -5.12 121.20 115.63 2ww0 s ILE 457 Ca 0.00 -1.31 -0.21 0.00 0.00 0.00 0.00 60.65 59.13 2ww0 s ILE 457 Cb 0.00 -2.02 -0.11 0.00 0.01 0.00 0.00 42.46 40.34 2ww0 s ILE 457 CO 0.00 0.14 0.95 0.20 0.00 0.00 0.00 174.94 176.23 2ww0 s ASN 458 N 1.23 6.93 -1.32 3.58 0.01 -1.26 -3.64 114.94 120.47 2ww0 s ASN 458 Ca -0.04 1.70 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 2ww0 s ASN 458 Cb -0.17 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2ww0 s ASN 458 CO -0.08 -0.36 0.31 -0.62 -1.51 0.00 0.00 177.10 174.84 2ww0 n GLU 459 N -0.61 -2.99 -0.29 -0.60 1.02 0.31 -4.89 120.64 112.59 2ww0 n GLU 459 Ca 0.07 0.76 -0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2ww0 n GLU 459 Cb 0.54 -5.23 0.12 0.00 -0.02 0.00 0.00 31.44 26.85 2ww0 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww0 h ASN 460 N -0.71 0.78 -0.57 1.62 -1.07 -1.56 -1.10 115.58 112.97 2ww0 h ASN 460 Ca -0.42 0.01 -0.07 0.00 0.07 0.00 0.00 56.30 55.90 2ww0 h ASN 460 Cb 1.30 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 37.37 2ww0 h ASN 460 CO 0.46 0.51 0.09 0.00 0.07 0.00 0.00 177.43 178.56 2ww0 h ALA 461 N 1.38 0.75 -0.64 4.14 0.00 -1.22 0.27 119.26 123.94 2ww0 h ALA 461 Ca 0.35 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2ww0 h ALA 461 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ww0 h ALA 461 CO -0.16 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.65 2ww0 h ALA 462 N 1.00 0.88 -0.10 0.00 0.00 -1.22 -2.02 119.26 117.80 2ww0 h ALA 462 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ww0 h ALA 462 Cb 0.42 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ww0 h ALA 462 CO 0.01 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.97 2ww0 h ARG 463 N 1.01 0.15 -0.09 0.00 3.08 -0.90 -2.05 114.38 115.58 2ww0 h ARG 463 Ca 0.19 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2ww0 h ARG 463 Cb 0.50 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2ww0 h ARG 463 CO 0.02 0.29 -0.22 1.15 -1.07 0.00 0.00 179.97 180.14 2ww0 h THR 464 N -0.01 0.47 -0.36 2.04 2.02 -0.86 0.25 112.91 116.46 2ww0 h THR 464 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 2ww0 h THR 464 Cb 0.20 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2ww0 h THR 464 CO -0.00 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 176.00 2ww0 h LEU 465 N -0.30 0.26 -0.47 2.58 3.38 -1.32 -1.29 115.31 118.15 2ww0 h LEU 465 Ca 0.09 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2ww0 h LEU 465 Cb 0.42 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ww0 h LEU 465 CO -0.26 0.19 -0.51 -0.33 0.09 0.00 0.00 178.44 177.61 2ww0 h GLU 466 N 0.37 0.68 -0.89 1.13 5.08 -1.08 -2.64 114.58 117.21 2ww0 h GLU 466 Ca 0.15 -0.41 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2ww0 h GLU 466 Cb 0.07 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2ww0 h GLU 466 CO -0.11 1.02 0.56 1.88 -1.00 0.00 0.00 179.01 181.36 2ww0 h TYR 467 N 0.53 1.03 -0.11 4.33 0.05 -0.22 0.97 116.97 123.55 2ww0 h TYR 467 Ca 0.02 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.85 2ww0 h TYR 467 Cb 1.07 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 2ww0 h TYR 467 CO 0.05 0.52 -0.05 0.00 -1.05 0.00 0.00 178.16 177.63 2ww0 h ALA 468 N 1.42 0.04 -0.87 3.88 0.00 -0.90 0.34 119.26 123.17 2ww0 h ALA 468 Ca 0.39 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2ww0 h ALA 468 Cb 0.18 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ww0 h ALA 468 CO -0.18 -0.51 0.44 -0.92 0.00 0.00 0.00 179.25 178.08 2ww0 h TYR 469 N -0.05 1.23 -0.06 0.00 3.20 -1.11 -2.25 116.97 117.93 2ww0 h TYR 469 Ca 0.06 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2ww0 h TYR 469 Cb 0.14 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2ww0 h TYR 469 CO -0.18 0.87 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.67 2ww0 h ASP 470 N 1.23 -0.31 -0.63 -2.11 3.32 0.11 -2.01 116.42 116.02 2ww0 h ASP 470 Ca 0.30 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.49 2ww0 h ASP 470 Cb 0.09 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2ww0 h ASP 470 CO -0.04 -0.14 0.42 0.44 -1.72 0.00 0.00 179.24 178.20 2ww0 h ASP 471 N -0.14 0.47 -0.91 6.45 3.32 0.01 -0.80 116.42 124.82 2ww0 h ASP 471 Ca 0.06 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2ww0 h ASP 471 Cb 0.23 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2ww0 h ASP 471 CO -0.15 0.29 0.60 -0.25 -1.72 0.00 0.00 179.24 178.01 2ww0 h TRP 472 N 0.53 1.14 -0.17 4.55 7.01 -0.79 0.23 115.95 128.45 2ww0 h TRP 472 Ca 0.29 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 2ww0 h TRP 472 Cb 0.44 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2ww0 h TRP 472 CO -0.00 0.72 0.05 0.00 -2.79 0.00 0.00 178.44 176.42 2ww0 h ILE 474 N 0.09 1.09 -0.44 0.00 2.04 -0.91 0.11 117.51 119.49 2ww0 h ILE 474 Ca 0.05 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2ww0 h ILE 474 Cb 0.23 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2ww0 h ILE 474 CO -0.00 0.08 0.21 0.22 0.00 0.00 0.00 178.15 178.66 2ww0 h TYR 475 N 0.27 0.38 -0.59 1.37 5.03 -0.38 0.25 116.97 123.31 2ww0 h TYR 475 Ca 0.08 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.47 2ww0 h TYR 475 Cb 0.02 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 2ww0 h TYR 475 CO -0.05 0.19 0.29 0.00 -1.32 0.00 0.00 178.16 177.27 2ww0 h ARG 476 N 0.42 0.53 -0.17 1.82 2.47 0.12 -1.13 114.38 118.44 2ww0 h ARG 476 Ca 0.19 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.75 2ww0 h ARG 476 Cb 0.12 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2ww0 h ARG 476 CO -0.15 0.35 -0.40 1.25 0.56 0.00 0.00 179.97 181.58 2ww0 h LEU 477 N 0.55 0.64 -0.52 3.04 5.85 -0.07 -2.81 115.31 121.99 2ww0 h LEU 477 Ca 0.27 -0.57 0.08 0.00 0.84 0.00 0.00 57.88 58.50 2ww0 h LEU 477 Cb 0.20 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2ww0 h LEU 477 CO -0.20 1.10 0.16 0.00 -0.34 0.00 0.00 178.44 179.16 2ww0 h ALA 478 N 0.56 0.63 -0.30 1.25 0.00 -0.41 0.12 119.26 121.11 2ww0 h ALA 478 Ca -0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2ww0 h ALA 478 Cb 1.01 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2ww0 h ALA 478 CO 0.09 -0.24 0.02 -0.22 0.00 0.00 0.00 179.25 178.90 2ww0 h LYS 479 N 0.32 0.11 -0.68 0.00 3.64 -1.18 0.49 116.57 119.28 2ww0 h LYS 479 Ca 0.26 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 2ww0 h LYS 479 Cb 0.31 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 2ww0 h LYS 479 CO -0.29 0.08 0.33 1.49 -2.27 0.00 0.00 179.45 178.79 2ww0 h GLU 480 N 0.12 0.57 0.00 1.90 4.57 -0.97 0.14 114.58 120.91 2ww0 h GLU 480 Ca 0.14 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2ww0 h GLU 480 Cb 0.18 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2ww0 h GLU 480 CO -0.22 0.37 0.00 1.28 -1.18 0.00 0.00 179.01 179.26 2ww0 n LEU 481 N -4.87 0.00 -3.64 1.64 4.77 0.30 -4.86 117.00 110.34 2ww0 n LEU 481 Ca 0.10 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.99 2ww0 n LEU 481 Cb 0.25 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 2ww0 n LEU 481 CO 0.25 -0.03 0.22 2.29 -1.33 0.00 0.00 177.39 178.79 2ww0 n LYS 482 N -1.15 -7.60 -1.06 3.23 -0.00 0.50 -4.95 118.16 107.13 2ww0 n LYS 482 Ca 0.15 0.80 -0.30 0.00 -0.00 0.00 0.00 58.31 58.95 2ww0 n LYS 482 Cb 0.14 -5.83 0.14 0.00 -0.00 0.00 0.00 35.03 29.49 2ww0 n LYS 482 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2ww0 s ARG 483 N -6.32 1.24 0.43 -1.58 0.52 -0.72 -4.95 118.95 107.57 2ww0 s ARG 483 Ca 0.57 1.04 -0.23 0.00 -0.52 0.00 0.00 55.73 56.59 2ww0 s ARG 483 Cb -0.26 -1.79 -0.11 0.00 0.52 0.00 0.00 34.95 33.31 2ww0 s ARG 483 CO 0.74 -2.32 0.85 -2.30 0.02 0.00 0.00 175.30 172.29 2ww0 n PRO 484 N -3.97 1.04 -0.32 3.54 -0.02 -1.26 -4.70 135.00 129.31 2ww0 n PRO 484 Ca 0.08 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 2ww0 n PRO 484 Cb 0.54 -1.85 0.27 0.00 -0.02 0.00 0.00 33.50 32.44 2ww0 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww0 h LYS 485 N 1.23 0.91 -0.51 -0.52 -0.00 -1.98 0.99 116.57 116.69 2ww0 h LYS 485 Ca -0.43 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.65 60.16 2ww0 h LYS 485 Cb 1.36 -0.20 -0.02 0.00 -0.00 0.00 0.00 32.23 33.36 2ww0 h LYS 485 CO 0.55 0.60 0.29 1.57 -0.00 0.00 0.00 179.45 182.46 2ww0 h LYS 486 N 0.93 0.71 0.09 0.07 5.09 -1.99 0.40 116.57 121.87 2ww0 h LYS 486 Ca 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 60.65 61.10 2ww0 h LYS 486 Cb 0.43 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.62 2ww0 h LYS 486 CO -0.20 0.54 -0.04 0.93 -2.09 0.00 0.00 179.45 178.58 2ww0 h GLU 487 N 0.68 -0.12 -0.78 0.07 5.08 -1.67 -2.26 114.58 115.59 2ww0 h GLU 487 Ca 0.18 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2ww0 h GLU 487 Cb 0.03 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2ww0 h GLU 487 CO -0.03 0.06 0.49 0.82 -1.00 0.00 0.00 179.01 179.35 2ww0 h ILE 488 N -0.28 1.11 -0.16 3.13 2.04 -0.55 -1.16 117.51 121.64 2ww0 h ILE 488 Ca -0.01 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 2ww0 h ILE 488 Cb 0.23 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2ww0 h ILE 488 CO 0.02 0.17 -0.28 0.28 0.00 0.00 0.00 178.15 178.34 2ww0 h SER 489 N 0.96 0.29 -0.28 1.72 0.02 -0.18 -2.41 113.55 113.66 2ww0 h SER 489 Ca 0.31 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2ww0 h SER 489 Cb 0.02 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2ww0 h SER 489 CO -0.12 0.58 0.14 0.25 -1.14 0.00 0.00 176.83 176.54 2ww0 h LEU 490 N 0.26 0.37 -0.25 5.07 5.85 -0.59 0.02 115.31 126.03 2ww0 h LEU 490 Ca 0.04 -0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.43 2ww0 h LEU 490 Cb 0.64 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2ww0 h LEU 490 CO 0.05 0.39 -0.78 -0.26 -0.34 0.00 0.00 178.44 177.49 2ww0 h PHE 491 N 0.32 0.83 -0.82 1.25 0.04 -1.44 -0.82 116.94 116.30 2ww0 h PHE 491 Ca 0.10 -0.38 0.08 0.00 2.80 0.00 0.00 57.97 60.57 2ww0 h PHE 491 Cb 0.12 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.07 2ww0 h PHE 491 CO -0.02 1.18 0.48 0.00 -0.60 0.00 0.00 178.31 179.35 2ww0 h ALA 492 N 0.71 1.15 -0.14 2.45 0.00 -1.35 0.41 119.26 122.49 2ww0 h ALA 492 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ww0 h ALA 492 Cb 1.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2ww0 h ALA 492 CO 0.15 0.14 0.05 1.57 0.00 0.00 0.00 179.25 181.17 2ww0 h LYS 493 N 0.83 0.22 -0.27 0.00 5.09 -0.69 -3.12 116.57 118.64 2ww0 h LYS 493 Ca 0.38 -0.04 -0.06 0.00 0.09 0.00 0.00 60.65 61.02 2ww0 h LYS 493 Cb 0.29 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.58 2ww0 h LYS 493 CO -0.22 0.32 -0.09 0.07 -2.09 0.00 0.00 179.45 177.44 2ww0 h ARG 494 N 0.07 0.43 -0.04 0.07 0.11 0.36 -0.34 114.38 115.04 2ww0 h ARG 494 Ca 0.05 -0.11 0.01 0.00 0.10 0.00 0.00 59.98 60.03 2ww0 h ARG 494 Cb 0.18 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 2ww0 h ARG 494 CO -0.00 0.53 0.22 0.00 0.10 0.00 0.00 179.97 180.82 2ww0 h ALA 495 N 1.50 1.33 -0.00 0.08 0.00 -0.18 -0.43 119.26 121.55 2ww0 h ALA 495 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ww0 h ALA 495 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ww0 h ALA 495 CO 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 179.25 178.93 2ww0 n MET 496 N -3.10 0.48 0.07 0.00 -0.00 -0.14 -4.39 117.12 110.04 2ww0 n MET 496 Ca -0.01 -0.13 0.10 0.00 -0.00 0.00 0.00 57.70 57.66 2ww0 n MET 496 Cb 0.29 -1.50 0.56 0.00 -0.00 0.00 0.00 33.22 32.57 2ww0 n MET 496 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2ww0 h ASN 497 N 0.31 0.21 0.00 3.17 2.35 -1.20 -1.35 115.58 119.07 2ww0 h ASN 497 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ww0 h ASN 497 Cb 0.37 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2ww0 h ASN 497 CO 0.00 0.14 0.67 0.10 -1.65 0.00 0.00 177.43 176.69 2ww0 h TYR 498 N 0.24 0.00 0.00 1.19 -0.00 -1.82 2.05 116.97 118.63 2ww0 h TYR 498 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.78 2ww0 h TYR 498 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.98 2ww0 h TYR 498 CO -0.00 0.00 -0.46 0.87 -0.00 0.00 0.00 178.16 178.57 2ww0 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.60 -3.15 116.57 113.49 2ww0 h LYS 499 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ww0 h LYS 499 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2ww0 h LYS 499 CO 0.00 0.46 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 2ww0 n ASN 500 N -3.57 0.38 -0.33 0.86 3.02 0.70 -2.24 115.26 114.07 2ww0 n ASN 500 Ca -0.00 0.61 0.03 0.00 -0.03 0.00 0.00 54.58 55.19 2ww0 n ASN 500 Cb 0.56 -0.69 0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2ww0 n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ww0 n LEU 501 N -1.94 2.09 -4.70 3.41 4.77 -1.19 -4.97 117.00 114.47 2ww0 n LEU 501 Ca 0.02 -1.54 -0.41 0.00 -0.03 0.00 0.00 56.01 54.05 2ww0 n LEU 501 Cb 0.15 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2ww0 n LEU 501 CO 0.14 0.49 0.60 0.12 -1.33 0.00 0.00 177.39 177.41 2ww0 s PHE 502 N -0.79 3.57 -0.27 -1.77 5.36 -0.95 -0.80 117.98 122.32 2ww0 s PHE 502 Ca 0.11 1.46 -0.13 0.00 -0.96 0.00 0.00 56.93 57.41 2ww0 s PHE 502 Cb 0.06 -3.01 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 2ww0 s PHE 502 CO 0.09 -0.06 0.30 0.34 -1.46 0.00 0.00 175.22 174.43 2ww0 s ASP 503 N 0.99 6.16 0.21 6.13 2.15 -0.33 -4.95 116.67 127.02 2ww0 s ASP 503 Ca 0.44 0.17 -0.07 0.00 0.43 0.00 0.00 52.55 53.52 2ww0 s ASP 503 Cb -0.19 -2.17 0.15 0.00 -0.30 0.00 0.00 42.92 40.41 2ww0 s ASP 503 CO 0.20 -0.13 1.69 0.11 -0.17 0.00 0.00 175.17 176.87 2ww0 h LYS 504 N 8.25 1.01 -0.12 4.34 6.56 -1.93 0.16 116.57 134.84 2ww0 h LYS 504 Ca -0.33 -0.30 -0.03 0.00 -1.06 0.00 0.00 60.65 58.94 2ww0 h LYS 504 Cb 1.17 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.72 2ww0 h LYS 504 CO 0.60 0.98 -0.02 0.93 -2.06 0.00 0.00 179.45 179.88 2ww0 h GLU 505 N 0.94 0.23 0.00 3.15 5.08 -1.96 -3.21 114.58 118.81 2ww0 h GLU 505 Ca 0.17 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 2ww0 h GLU 505 Cb 0.51 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2ww0 h GLU 505 CO 0.02 0.52 -0.80 0.66 -1.00 0.00 0.00 179.01 178.41 2ww0 h SER 506 N -0.08 0.00 -0.68 1.42 4.64 -1.99 -3.47 113.55 113.40 2ww0 h SER 506 Ca 0.03 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.12 2ww0 h SER 506 Cb 0.43 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.44 2ww0 h SER 506 CO 0.01 0.80 -0.22 0.29 -0.87 0.00 0.00 176.83 176.84 2ww0 n LYS 507 N -3.39 -0.80 -4.31 4.77 5.02 0.56 -5.01 118.16 115.00 2ww0 n LYS 507 Ca 0.00 0.86 -0.19 0.00 -2.02 0.00 0.00 58.31 56.95 2ww0 n LYS 507 Cb 0.83 -4.86 -0.11 0.00 -0.02 0.00 0.00 35.03 30.88 2ww0 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww0 s LEU 508 N -2.67 2.48 0.41 -0.35 1.43 -1.19 -4.93 118.68 113.86 2ww0 s LEU 508 Ca 0.00 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 51.94 2ww0 s LEU 508 Cb 0.00 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 2ww0 s LEU 508 CO 0.00 -0.12 1.19 -0.04 0.23 0.00 0.00 176.35 177.62 2ww0 s MET 509 N -3.11 4.00 -0.10 1.70 -1.94 -1.26 -1.18 119.30 117.40 2ww0 s MET 509 Ca 0.17 1.89 -0.18 0.00 -1.71 0.00 0.00 55.69 55.86 2ww0 s MET 509 Cb -0.03 -2.66 0.04 0.00 2.01 0.00 0.00 34.83 34.19 2ww0 s MET 509 CO 0.06 -0.38 0.45 0.50 -0.01 0.00 0.00 175.02 175.63 2ww0 s ARG 510 N -2.33 0.67 0.33 2.03 3.52 0.02 -4.78 118.95 118.40 2ww0 s ARG 510 Ca 0.58 0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 56.20 2ww0 s ARG 510 Cb -0.32 0.31 -0.11 0.00 -1.56 0.00 0.00 34.95 33.27 2ww0 s ARG 510 CO 0.40 -0.15 1.54 0.20 -0.81 0.00 0.00 175.30 176.49 2ww0 s GLY 511 N -0.50 2.47 -0.04 8.12 0.00 -1.26 -4.76 107.32 111.35 2ww0 s GLY 511 Ca -0.06 1.56 0.04 0.00 0.00 0.00 0.00 44.72 46.26 2ww0 s GLY 511 CO 0.03 2.42 -0.16 -1.60 0.00 0.00 0.00 173.10 173.79 2ww0 s ARG 512 N -1.17 1.73 0.78 2.90 3.52 -1.26 -0.09 118.95 125.36 2ww0 s ARG 512 Ca 0.59 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 2ww0 s ARG 512 Cb -0.47 -1.50 0.06 0.00 -1.56 0.00 0.00 34.95 31.47 2ww0 s ARG 512 CO 0.54 0.23 1.09 -0.80 -0.81 0.00 0.00 175.30 175.55 2ww0 s ASN 513 N 0.07 4.63 0.36 -2.12 0.01 0.11 0.17 114.94 118.17 2ww0 s ASN 513 Ca -0.04 1.40 0.06 0.00 -0.71 0.00 0.00 52.86 53.56 2ww0 s ASN 513 Cb -0.11 -2.16 0.70 0.00 0.41 0.00 0.00 41.25 40.09 2ww0 s ASN 513 CO 0.02 -1.89 1.94 -0.08 -1.51 0.00 0.00 177.10 175.58 2ww0 h GLU 514 N -1.03 0.51 0.00 -0.60 4.81 -1.90 -0.62 114.58 115.74 2ww0 h GLU 514 Ca -0.46 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2ww0 h GLU 514 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2ww0 h GLU 514 CO 0.58 0.47 0.00 -0.40 -0.73 0.00 0.00 179.01 178.94 2ww0 n ASP 515 N -4.35 0.00 0.00 1.04 5.68 -1.26 -4.86 116.55 112.80 2ww0 n ASP 515 Ca 0.02 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2ww0 n ASP 515 Cb 0.18 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 2ww0 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww0 n GLY 516 N 0.20 0.84 3.75 6.12 0.00 -0.24 -5.07 105.19 110.79 2ww0 n GLY 516 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2ww0 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 517 N -2.24 3.83 0.59 2.61 -4.23 -1.26 -4.76 115.64 110.19 2ww0 s THR 517 Ca 0.00 1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 62.15 2ww0 s THR 517 Cb 0.00 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 2ww0 s THR 517 CO 0.00 0.42 1.15 -0.36 -0.54 0.00 0.00 174.62 175.29 2ww0 s PHE 518 N -1.06 2.55 0.49 3.99 0.08 -1.26 0.07 117.98 122.84 2ww0 s PHE 518 Ca 0.43 1.54 -0.21 0.00 0.12 0.00 0.00 56.93 58.81 2ww0 s PHE 518 Cb -0.29 -3.32 -0.07 0.00 -0.57 0.00 0.00 43.02 38.77 2ww0 s PHE 518 CO 0.36 -1.82 1.11 -1.14 -0.10 0.00 0.00 175.22 173.62 2ww0 s GLN 519 N -3.53 3.68 -0.05 0.44 -0.44 0.88 -4.74 119.66 115.89 2ww0 s GLN 519 Ca 0.73 1.58 -0.03 0.00 -2.50 0.00 0.00 55.36 55.13 2ww0 s GLN 519 Cb -0.25 -2.21 0.02 0.00 -1.64 0.00 0.00 33.01 28.94 2ww0 s GLN 519 CO 0.33 -0.57 0.13 -1.12 0.50 0.00 0.00 175.29 174.56 2ww0 s SER 520 N -1.68 -0.11 0.34 6.67 0.01 -1.26 -4.26 113.70 113.41 2ww0 s SER 520 Ca 0.67 0.26 0.01 0.00 1.31 0.00 0.00 55.95 58.20 2ww0 s SER 520 Cb -0.23 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 2ww0 s SER 520 CO 0.27 -0.09 0.53 -2.16 0.41 0.00 0.00 173.24 172.20 2ww0 s PRO 521 N 0.60 3.42 -0.21 12.44 0.04 -1.26 -5.12 135.00 144.91 2ww0 s PRO 521 Ca -0.04 -0.44 -0.04 0.00 0.04 0.00 0.00 61.00 60.52 2ww0 s PRO 521 Cb -0.06 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 2ww0 s PRO 521 CO -0.03 0.14 -0.05 0.12 0.04 0.00 0.00 177.00 177.23 2ww0 s PHE 522 N -2.29 2.95 -0.37 0.56 5.36 -1.26 -5.06 117.98 117.87 2ww0 s PHE 522 Ca 0.40 -0.89 -0.02 0.00 -0.96 0.00 0.00 56.93 55.46 2ww0 s PHE 522 Cb -0.10 -2.08 0.09 0.00 -0.34 0.00 0.00 43.02 40.59 2ww0 s PHE 522 CO 0.35 -0.50 0.13 -1.12 -1.46 0.00 0.00 175.22 172.62 2ww0 s SER 523 N 1.36 5.10 0.51 6.13 0.01 -1.26 -4.94 113.70 120.62 2ww0 s SER 523 Ca 0.04 -1.83 0.25 0.00 1.31 0.00 0.00 55.95 55.73 2ww0 s SER 523 Cb -0.14 -1.78 1.38 0.00 0.21 0.00 0.00 66.02 65.70 2ww0 s SER 523 CO -0.02 -0.44 2.06 -0.65 0.41 0.00 0.00 173.24 174.59 2ww0 h PRO 524 N 7.99 0.00 -0.26 12.44 0.11 -1.97 -1.34 132.00 148.96 2ww0 h PRO 524 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2ww0 h PRO 524 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ww0 h PRO 524 CO 0.63 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 2ww0 n LEU 525 N -3.74 2.30 -4.73 2.35 4.77 -1.26 -2.77 117.00 113.92 2ww0 n LEU 525 Ca -0.02 -0.99 -0.40 0.00 -0.03 0.00 0.00 56.01 54.57 2ww0 n LEU 525 Cb 0.24 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2ww0 n LEU 525 CO 0.31 0.49 0.55 -0.75 -1.33 0.00 0.00 177.39 176.66 2ww0 s LYS 526 N -1.66 4.56 0.21 3.23 2.20 -0.51 -1.83 119.74 125.94 2ww0 s LYS 526 Ca 0.34 1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 57.10 2ww0 s LYS 526 Cb 0.19 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2ww0 s LYS 526 CO 0.27 0.20 0.47 -1.58 -0.36 0.00 0.00 175.35 174.36 2ww0 s TRP 527 N 0.16 3.46 0.00 4.03 0.52 -0.64 -4.23 118.94 122.24 2ww0 s TRP 527 Ca 0.43 0.65 0.00 0.00 0.02 0.00 0.00 56.10 57.20 2ww0 s TRP 527 Cb -0.21 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 2ww0 s TRP 527 CO 0.25 0.31 0.00 0.41 0.02 0.00 0.00 176.95 177.95 2ww0 n GLY 528 N -0.31 0.30 7.00 0.98 0.00 -0.67 -4.53 105.19 107.97 2ww0 n GLY 528 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2ww0 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww0 n ASP 529 N -0.24 0.00 0.13 1.61 -0.08 -1.26 -0.18 116.55 116.54 2ww0 n ASP 529 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2ww0 n ASP 529 Cb 0.00 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.73 2ww0 n ASP 529 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ww0 h ALA 530 N -0.82 1.21 -0.63 -1.67 0.00 -1.93 0.89 119.26 116.32 2ww0 h ALA 530 Ca 0.00 -0.40 -0.62 0.00 0.00 0.00 0.00 54.91 53.89 2ww0 h ALA 530 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2ww0 h ALA 530 CO 0.00 0.56 -0.42 -0.06 0.00 0.00 0.00 179.25 179.33 2ww0 s PHE 531 N -4.11 1.86 -0.25 0.00 0.08 0.75 -0.87 117.98 115.44 2ww0 s PHE 531 Ca -0.03 -0.85 -0.01 0.00 0.12 0.00 0.00 56.93 56.15 2ww0 s PHE 531 Cb 0.14 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2ww0 s PHE 531 CO 0.75 -0.10 -0.06 0.95 -0.10 0.00 0.00 175.22 176.66 2ww0 s THR 532 N -2.79 2.79 -1.27 0.64 -4.23 -1.26 -3.82 115.64 105.69 2ww0 s THR 532 Ca 0.24 -1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2ww0 s THR 532 Cb 0.00 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 2ww0 s THR 532 CO 0.14 0.15 0.66 -0.62 -0.54 0.00 0.00 174.62 174.41 2ww0 n GLU 533 N 4.64 -3.30 0.00 3.99 1.02 -1.26 -4.85 120.64 120.89 2ww0 n GLU 533 Ca -0.16 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2ww0 n GLU 533 Cb 0.46 -4.74 0.00 0.00 -0.02 0.00 0.00 31.44 27.14 2ww0 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ww0 n GLY 534 N -1.70 0.35 3.63 0.62 0.00 -1.26 -4.92 105.19 101.91 2ww0 n GLY 534 Ca -0.23 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2ww0 n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww0 s ASN 535 N 0.00 3.46 0.42 1.61 2.20 -1.26 -1.66 114.94 119.71 2ww0 s ASN 535 Ca 0.00 -1.62 0.23 0.00 -0.94 0.00 0.00 52.86 50.53 2ww0 s ASN 535 Cb 0.00 0.40 1.23 0.00 -2.00 0.00 0.00 41.25 40.88 2ww0 s ASN 535 CO 0.00 -0.84 1.73 -1.28 -2.94 0.00 0.00 177.10 173.77 2ww0 h SER 536 N 1.61 0.35 0.62 3.54 0.87 -1.71 0.31 113.55 119.15 2ww0 h SER 536 Ca -0.40 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2ww0 h SER 536 Cb 1.29 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2ww0 h SER 536 CO 0.67 0.00 -0.07 -0.50 -0.53 0.00 0.00 176.83 176.41 2ww0 h TRP 537 N 0.27 0.00 0.06 2.24 4.06 -1.92 -0.91 115.95 119.75 2ww0 h TRP 537 Ca 0.66 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 61.25 2ww0 h TRP 537 Cb 1.87 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.99 2ww0 h TRP 537 CO -0.00 0.07 -2.07 0.72 -3.56 0.00 0.00 178.44 173.59 2ww0 n HIS 538 N -3.29 0.76 0.17 0.49 8.25 0.10 -4.49 115.22 117.21 2ww0 n HIS 538 Ca -0.01 0.20 0.05 0.00 -0.26 0.00 0.00 57.72 57.70 2ww0 n HIS 538 Cb 0.26 -1.09 0.12 0.00 1.12 0.00 0.00 29.99 30.39 2ww0 n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2ww0 h TYR 539 N -0.21 0.00 -0.23 4.41 -1.99 -1.21 -3.30 116.97 114.43 2ww0 h TYR 539 Ca -0.48 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.31 2ww0 h TYR 539 Cb 1.85 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.57 2ww0 h TYR 539 CO 0.05 0.37 0.26 1.15 -0.00 0.00 0.00 178.16 180.00 2ww0 h THR 540 N 0.00 0.42 -0.04 -2.88 2.02 -1.39 0.09 112.91 111.12 2ww0 h THR 540 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ww0 h THR 540 Cb 1.21 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2ww0 h THR 540 CO 0.05 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.73 2ww0 n TRP 541 N -3.73 0.04 -1.62 3.16 7.02 -1.24 -4.58 117.44 116.49 2ww0 n TRP 541 Ca 0.03 -0.02 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 2ww0 n TRP 541 Cb 0.39 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.27 2ww0 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww0 n SER 542 N -0.34 5.61 -3.04 -0.99 7.64 0.02 -4.47 113.62 118.06 2ww0 n SER 542 Ca 0.19 -2.77 -0.20 0.00 1.01 0.00 0.00 58.87 57.11 2ww0 n SER 542 Cb 0.22 -1.61 -0.02 0.00 -1.01 0.00 0.00 64.21 61.78 2ww0 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww0 n VAL 543 N 4.47 0.91 -0.33 0.44 0.31 -1.26 -4.74 118.33 118.12 2ww0 n VAL 543 Ca 0.61 -4.70 0.09 0.00 -0.01 0.00 0.00 64.34 60.33 2ww0 n VAL 543 Cb 0.33 -0.50 0.26 0.00 -0.91 0.00 0.00 33.84 33.03 2ww0 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww0 h PHE 544 N 2.98 0.93 0.00 3.52 -1.00 -1.89 -0.62 116.94 120.86 2ww0 h PHE 544 Ca 0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 2ww0 h PHE 544 Cb 0.87 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 2ww0 h PHE 544 CO 0.58 0.24 -0.01 1.12 -1.61 0.00 0.00 178.31 178.62 2ww0 h HIS 545 N 0.73 0.00 -1.67 -0.55 2.07 -1.92 -3.40 115.15 110.40 2ww0 h HIS 545 Ca 0.51 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.59 2ww0 h HIS 545 Cb 0.72 0.00 -0.36 0.00 2.57 0.00 0.00 27.41 30.34 2ww0 h HIS 545 CO -0.05 0.01 -1.07 -3.47 -3.07 0.00 0.00 177.93 170.29 2ww0 n ASP 546 N -3.10 0.25 -0.14 3.10 2.03 -0.26 -0.02 116.55 118.41 2ww0 n ASP 546 Ca 0.03 -3.09 -0.05 0.00 0.52 0.00 0.00 54.79 52.20 2ww0 n ASP 546 Cb 0.49 -0.21 0.04 0.00 -0.72 0.00 0.00 41.12 40.73 2ww0 n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ww0 h PRO 547 N 3.09 0.37 -0.76 -0.67 0.11 -1.73 -1.65 132.00 130.77 2ww0 h PRO 547 Ca 0.06 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.21 2ww0 h PRO 547 Cb 0.98 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 2ww0 h PRO 547 CO 0.44 0.25 0.45 0.37 -0.21 0.00 0.00 178.00 179.29 2ww0 h GLN 548 N 0.38 0.80 -0.90 1.05 5.75 -1.90 0.34 115.11 120.62 2ww0 h GLN 548 Ca 0.21 -0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.78 2ww0 h GLN 548 Cb 0.17 -0.18 -0.08 0.00 1.07 0.00 0.00 27.48 28.46 2ww0 h GLN 548 CO -0.18 0.53 0.53 0.78 -2.65 0.00 0.00 178.83 177.83 2ww0 h GLY 549 N 0.82 1.45 1.03 2.39 0.00 -1.71 0.39 103.07 107.43 2ww0 h GLY 549 Ca 0.34 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 2ww0 h GLY 549 CO -0.18 0.10 -0.18 -2.00 0.00 0.00 0.00 176.54 174.28 2ww0 h LEU 550 N 0.83 0.87 -0.59 3.11 5.85 -0.19 -2.08 115.31 123.10 2ww0 h LEU 550 Ca 0.45 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2ww0 h LEU 550 Cb 0.49 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2ww0 h LEU 550 CO -0.28 1.07 0.28 0.40 -0.34 0.00 0.00 178.44 179.57 2ww0 h ILE 551 N 0.66 0.89 -0.11 4.05 2.04 0.17 -2.34 117.51 122.87 2ww0 h ILE 551 Ca 0.09 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2ww0 h ILE 551 Cb 0.74 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2ww0 h ILE 551 CO 0.06 0.09 0.05 0.44 0.00 0.00 0.00 178.15 178.79 2ww0 h ASP 552 N 0.52 0.08 -0.48 1.72 3.32 0.01 -2.40 116.42 119.18 2ww0 h ASP 552 Ca 0.28 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.43 2ww0 h ASP 552 Cb 0.25 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2ww0 h ASP 552 CO -0.22 0.06 0.33 -0.07 -1.72 0.00 0.00 179.24 177.62 2ww0 h LEU 553 N 0.11 0.22 0.00 1.55 3.38 -0.89 -0.34 115.31 119.34 2ww0 h LEU 553 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ww0 h LEU 553 Cb 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2ww0 h LEU 553 CO -0.03 0.13 -0.01 0.23 0.09 0.00 0.00 178.44 178.85 2ww0 n MET 554 N -4.46 0.04 -0.39 1.13 2.81 -0.93 -4.92 117.12 110.40 2ww0 n MET 554 Ca 0.07 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2ww0 n MET 554 Cb 0.38 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2ww0 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 555 N 1.47 0.54 0.00 3.03 0.00 -0.14 -4.67 105.19 105.42 2ww0 n GLY 555 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2ww0 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 556 N -0.18 -0.70 0.34 -0.02 0.00 -0.94 -4.37 105.19 99.31 2ww0 n GLY 556 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 2ww0 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww0 h LYS 557 N 0.00 1.16 -0.18 1.61 2.10 -1.92 -2.09 116.57 117.25 2ww0 h LYS 557 Ca 0.00 -0.12 0.05 0.00 -2.00 0.00 0.00 60.65 58.58 2ww0 h LYS 557 Cb 0.00 -0.24 -0.07 0.00 -0.90 0.00 0.00 32.23 31.03 2ww0 h LYS 557 CO 0.00 0.84 -0.33 1.49 -2.00 0.00 0.00 179.45 179.44 2ww0 h GLU 558 N 1.17 -0.37 0.00 0.07 4.81 -1.90 0.31 114.58 118.67 2ww0 h GLU 558 Ca 0.30 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 2ww0 h GLU 558 Cb -0.01 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ww0 h GLU 558 CO -0.05 -0.24 -0.36 0.52 -0.73 0.00 0.00 179.01 178.14 2ww0 h MET 559 N -0.38 0.00 -0.10 1.92 2.86 -1.71 -1.58 114.93 115.94 2ww0 h MET 559 Ca 0.11 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2ww0 h MET 559 Cb 0.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 2ww0 h MET 559 CO -0.39 0.36 0.04 0.35 1.06 0.00 0.00 176.91 178.33 2ww0 h PHE 560 N 0.00 0.15 -0.58 -0.22 3.04 -0.49 -0.85 116.94 117.99 2ww0 h PHE 560 Ca -0.00 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 2ww0 h PHE 560 Cb 0.65 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 2ww0 h PHE 560 CO 0.00 0.23 0.15 0.28 -2.02 0.00 0.00 178.31 176.95 2ww0 h VAL 561 N 0.02 1.23 -0.75 1.41 2.07 -0.14 -0.96 116.25 119.13 2ww0 h VAL 561 Ca 0.03 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2ww0 h VAL 561 Cb 0.14 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2ww0 h VAL 561 CO -0.00 0.31 0.48 0.74 0.02 0.00 0.00 177.57 179.11 2ww0 h THR 562 N 0.86 1.11 -0.09 2.57 2.02 -1.08 -0.49 112.91 117.80 2ww0 h THR 562 Ca 0.19 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2ww0 h THR 562 Cb 0.29 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2ww0 h THR 562 CO -0.00 0.17 0.04 -0.03 0.37 0.00 0.00 175.52 176.07 2ww0 h MET 563 N 0.93 0.13 -0.08 6.66 -1.53 -0.32 -2.65 114.93 118.06 2ww0 h MET 563 Ca 0.30 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.57 2ww0 h MET 563 Cb 0.01 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.01 2ww0 h MET 563 CO -0.11 0.20 -0.09 0.52 0.14 0.00 0.00 176.91 177.57 2ww0 h MET 564 N 0.02 -0.11 -0.83 0.39 2.86 -0.97 -2.96 114.93 113.33 2ww0 h MET 564 Ca 0.03 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 2ww0 h MET 564 Cb 0.12 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 2ww0 h MET 564 CO -0.00 -0.08 0.54 -0.44 1.06 0.00 0.00 176.91 177.99 2ww0 h ASP 565 N -0.12 0.62 0.83 1.22 3.32 -0.95 0.23 116.42 121.56 2ww0 h ASP 565 Ca 0.06 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2ww0 h ASP 565 Cb 0.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2ww0 h ASP 565 CO -0.15 0.34 0.00 -1.54 -1.72 0.00 0.00 179.24 176.17 2ww0 n SER 566 N -4.52 0.23 -0.23 6.45 3.41 -1.01 -1.81 113.62 116.12 2ww0 n SER 566 Ca 0.15 0.54 -0.07 0.00 -0.26 0.00 0.00 58.87 59.23 2ww0 n SER 566 Cb 0.41 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2ww0 n SER 566 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ww0 h VAL 567 N 0.00 1.24 0.00 -3.33 2.07 -0.54 -2.52 116.25 113.17 2ww0 h VAL 567 Ca 0.00 -0.74 -0.16 0.00 0.82 0.00 0.00 66.70 66.62 2ww0 h VAL 567 Cb 0.41 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2ww0 h VAL 567 CO 0.00 0.29 -0.90 -0.26 0.02 0.00 0.00 177.57 176.72 2ww0 h PHE 568 N 0.92 0.00 0.03 1.57 0.04 -1.51 0.29 116.94 118.28 2ww0 h PHE 568 Ca 0.22 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.77 2ww0 h PHE 568 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2ww0 h PHE 568 CO 0.01 0.72 -0.99 0.00 -0.60 0.00 0.00 178.31 177.46 2ww0 h ALA 569 N 1.28 0.38 -2.28 2.45 0.00 -1.21 -3.24 119.26 116.64 2ww0 h ALA 569 Ca -0.05 -0.79 -0.48 0.00 0.00 0.00 0.00 54.91 53.59 2ww0 h ALA 569 Cb 1.60 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2ww0 h ALA 569 CO 0.09 0.98 0.20 0.14 0.00 0.00 0.00 179.25 180.66 2ww0 s VAL 570 N -2.99 4.53 0.86 0.00 -7.23 -0.96 -4.94 120.40 109.66 2ww0 s VAL 570 Ca -0.03 1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 61.28 2ww0 s VAL 570 Cb 0.09 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.46 2ww0 s VAL 570 CO 0.84 -0.13 1.18 -2.16 -0.31 0.00 0.00 175.10 174.51 2ww0 s PRO 571 N -2.80 1.34 -1.57 4.82 0.04 -1.26 -3.93 135.00 131.64 2ww0 s PRO 571 Ca 0.54 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 2ww0 s PRO 571 Cb -0.12 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2ww0 s PRO 571 CO 0.17 -2.42 2.84 -0.35 0.04 0.00 0.00 177.00 177.29 2ww0 n PRO 572 N -3.76 3.86 -2.47 0.56 -0.04 -1.26 -4.61 135.00 127.28 2ww0 n PRO 572 Ca 0.13 -2.45 -0.30 0.00 -0.04 0.00 0.00 63.50 60.84 2ww0 n PRO 572 Cb 0.51 -2.78 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 2ww0 n PRO 572 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ww0 s ILE 573 N 1.57 4.77 0.21 0.52 1.10 -1.26 -4.79 121.20 123.32 2ww0 s ILE 573 Ca 0.66 0.64 -0.22 0.00 -0.51 0.00 0.00 60.65 61.22 2ww0 s ILE 573 Cb 0.18 -3.81 0.05 0.00 0.15 0.00 0.00 42.46 39.03 2ww0 s ILE 573 CO -0.07 -0.81 0.64 0.72 -2.11 0.00 0.00 174.94 173.31 2ww0 s PHE 574 N -2.73 -0.38 -0.23 3.50 -0.12 -1.26 -4.99 117.98 111.77 2ww0 s PHE 574 Ca 0.52 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 2ww0 s PHE 574 Cb -0.10 0.61 0.06 0.00 -0.63 0.00 0.00 43.02 42.95 2ww0 s PHE 574 CO 0.41 -1.01 -0.04 0.34 -0.05 0.00 0.00 175.22 174.87 2ww0 s ASP 575 N -2.82 3.77 -0.09 1.98 -1.08 -0.76 -4.98 116.67 112.69 2ww0 s ASP 575 Ca 0.05 -1.15 0.18 0.00 -0.52 0.00 0.00 52.55 51.12 2ww0 s ASP 575 Cb -0.03 -1.13 0.66 0.00 -1.46 0.00 0.00 42.92 40.96 2ww0 s ASP 575 CO -0.05 -0.24 1.57 -0.90 0.52 0.00 0.00 175.17 176.07 2ww0 n ASP 576 N 4.71 4.40 -0.24 -0.34 5.75 -1.26 -1.62 116.55 127.94 2ww0 n ASP 576 Ca -0.12 -2.36 0.26 0.00 -0.01 0.00 0.00 54.79 52.56 2ww0 n ASP 576 Cb 0.44 -0.53 0.63 0.00 -1.03 0.00 0.00 41.12 40.64 2ww0 n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ww0 h SER 577 N 3.77 0.19 0.98 -1.12 4.64 -1.93 0.44 113.55 120.52 2ww0 h SER 577 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2ww0 h SER 577 Cb 1.30 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2ww0 h SER 577 CO 0.17 0.06 -0.05 0.22 -0.87 0.00 0.00 176.83 176.36 2ww0 h TYR 578 N 0.18 0.00 0.00 4.77 3.20 -1.82 -3.07 116.97 120.23 2ww0 h TYR 578 Ca 0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.35 2ww0 h TYR 578 Cb 1.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.86 2ww0 h TYR 578 CO -0.00 0.05 -1.36 0.66 -1.64 0.00 0.00 178.16 175.87 2ww0 n TYR 579 N -3.17 0.00 0.00 -3.82 4.01 0.14 -4.97 117.16 109.35 2ww0 n TYR 579 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ww0 n TYR 579 Cb 0.33 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 2ww0 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww0 n GLY 580 N 1.64 2.38 3.13 2.72 0.00 -0.33 -4.91 105.19 109.82 2ww0 n GLY 580 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2ww0 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 581 N 0.00 0.72 -1.15 1.61 -2.07 -1.26 -5.00 119.66 112.52 2ww0 s GLN 581 Ca 0.00 -1.21 -0.21 0.00 -1.82 0.00 0.00 55.36 52.12 2ww0 s GLN 581 Cb 0.00 0.24 0.03 0.00 -1.09 0.00 0.00 33.01 32.19 2ww0 s GLN 581 CO 0.00 -0.17 1.68 0.08 -1.32 0.00 0.00 175.29 175.56 2ww0 s VAL 582 N -3.93 3.91 0.84 3.63 1.01 -1.26 -4.93 120.40 119.66 2ww0 s VAL 582 Ca 0.10 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 2ww0 s VAL 582 Cb 0.07 -4.95 0.07 0.00 0.00 0.00 0.00 36.38 31.58 2ww0 s VAL 582 CO -0.08 -1.75 0.99 2.30 0.00 0.00 0.00 175.10 176.56 2ww0 n ILE 583 N 6.90 1.38 -0.29 2.22 -5.35 -1.26 -4.57 119.36 118.39 2ww0 n ILE 583 Ca 0.42 -0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.82 2ww0 n ILE 583 Cb 0.48 -1.02 0.35 0.00 -1.74 0.00 0.00 39.64 37.71 2ww0 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww0 h HIS 584 N -1.10 0.90 0.00 4.28 2.07 -1.78 -0.68 115.15 118.83 2ww0 h HIS 584 Ca -0.45 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.04 2ww0 h HIS 584 Cb 1.30 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.99 2ww0 h HIS 584 CO 0.44 0.32 -0.27 1.05 -3.07 0.00 0.00 177.93 176.40 2ww0 h GLU 585 N 0.75 0.00 -0.05 5.12 9.09 -1.89 0.29 114.58 127.89 2ww0 h GLU 585 Ca 0.47 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.82 2ww0 h GLU 585 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2ww0 h GLU 585 CO -0.23 0.27 -0.22 0.82 0.05 0.00 0.00 179.01 179.71 2ww0 h ILE 586 N 0.00 1.45 -0.56 -1.06 2.04 -1.46 -3.01 117.51 114.91 2ww0 h ILE 586 Ca -0.00 -1.64 0.08 0.00 1.00 0.00 0.00 64.86 64.30 2ww0 h ILE 586 Cb 0.66 2.36 -0.06 0.00 -0.74 0.00 0.00 36.82 39.04 2ww0 h ILE 586 CO 0.04 0.46 0.21 -0.09 0.00 0.00 0.00 178.15 178.76 2ww0 h ARG 587 N -0.29 0.38 -0.57 2.37 9.65 -1.04 -1.43 114.38 123.44 2ww0 h ARG 587 Ca -0.01 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.89 2ww0 h ARG 587 Cb 0.86 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 2ww0 h ARG 587 CO 0.05 0.25 0.38 0.93 2.80 0.00 0.00 179.97 184.37 2ww0 h GLU 588 N 0.39 0.60 -0.20 0.20 5.08 -0.99 -0.81 114.58 118.84 2ww0 h GLU 588 Ca 0.27 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2ww0 h GLU 588 Cb 0.31 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ww0 h GLU 588 CO -0.27 0.40 -0.22 1.98 -1.00 0.00 0.00 179.01 179.89 2ww0 h MET 589 N 0.62 0.51 -0.85 2.33 4.05 -1.15 -3.31 114.93 117.12 2ww0 h MET 589 Ca 0.24 -0.28 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2ww0 h MET 589 Cb 0.17 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 2ww0 h MET 589 CO -0.07 0.86 0.56 1.79 0.23 0.00 0.00 176.91 180.29 2ww0 h THR 590 N 0.19 1.22 0.00 -0.77 1.35 -0.39 -2.83 112.91 111.68 2ww0 h THR 590 Ca 0.03 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 2ww0 h THR 590 Cb 0.78 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2ww0 h THR 590 CO 0.05 0.22 -0.06 -0.37 -0.25 0.00 0.00 175.52 175.11 2ww0 h VAL 591 N 1.16 0.13 0.00 6.82 -1.51 -1.57 -3.25 116.25 118.03 2ww0 h VAL 591 Ca 0.31 -0.91 -0.08 0.00 -1.23 0.00 0.00 66.70 64.80 2ww0 h VAL 591 Cb -0.12 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2ww0 h VAL 591 CO -0.07 0.06 -0.36 0.24 -1.23 0.00 0.00 177.57 176.22 2ww0 h MET 592 N 0.00 0.00 -5.63 5.19 2.86 -1.60 -3.47 114.93 112.28 2ww0 h MET 592 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 2ww0 h MET 592 Cb 0.80 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.62 2ww0 h MET 592 CO 0.01 0.36 -0.74 -1.71 1.06 0.00 0.00 176.91 175.89 2ww0 n ASN 593 N -3.45 -3.05 -2.75 1.22 4.05 -1.23 -4.93 115.26 105.14 2ww0 n ASN 593 Ca 0.00 -0.59 -0.18 0.00 0.45 0.00 0.00 54.58 54.26 2ww0 n ASN 593 Cb 0.53 -5.03 0.00 0.00 1.23 0.00 0.00 39.78 36.51 2ww0 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww0 n MET 594 N -4.28 2.03 0.00 1.20 2.81 -1.26 -5.10 117.12 112.52 2ww0 n MET 594 Ca -0.22 -3.84 0.00 0.00 -1.81 0.00 0.00 57.70 51.83 2ww0 n MET 594 Cb 0.64 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2ww0 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 595 N -0.14 2.82 1.54 3.03 0.00 -1.23 -1.41 105.19 109.80 2ww0 n GLY 595 Ca 0.23 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2ww0 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 596 N 1.83 4.56 -4.56 1.61 3.02 0.10 -4.13 115.26 117.70 2ww0 n ASN 596 Ca 0.00 -2.51 -0.38 0.00 -0.03 0.00 0.00 54.58 51.66 2ww0 n ASN 596 Cb 0.00 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 2ww0 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww0 s TYR 597 N -2.01 2.24 -1.26 3.10 5.04 -0.50 -4.89 117.35 119.07 2ww0 s TYR 597 Ca 0.47 -0.20 -0.10 0.00 -2.44 0.00 0.00 57.07 54.81 2ww0 s TYR 597 Cb 0.32 -4.49 0.17 0.00 0.35 0.00 0.00 41.96 38.31 2ww0 s TYR 597 CO 0.20 -1.98 1.81 0.00 -1.34 0.00 0.00 175.55 174.25 2ww0 n ALA 598 N 10.38 5.21 0.33 3.97 0.00 -1.26 -4.77 120.51 134.38 2ww0 n ALA 598 Ca 0.26 -4.33 0.22 0.00 0.00 0.00 0.00 53.44 49.58 2ww0 n ALA 598 Cb 0.50 -2.96 1.15 0.00 0.00 0.00 0.00 19.45 18.14 2ww0 n ALA 598 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ww0 h HIS 599 N 5.87 0.00 0.00 0.00 2.76 -1.92 -1.11 115.15 120.74 2ww0 h HIS 599 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2ww0 h HIS 599 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2ww0 h HIS 599 CO 1.22 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.27 2ww0 n GLY 600 N -0.93 -0.74 3.20 5.26 0.00 -1.26 -4.72 105.19 106.01 2ww0 n GLY 600 Ca -0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2ww0 n GLY 600 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ww0 s ASN 601 N -2.79 1.52 0.19 1.61 2.47 -0.42 -3.84 114.94 113.68 2ww0 s ASN 601 Ca 0.07 -0.93 -0.08 0.00 0.42 0.00 0.00 52.86 52.35 2ww0 s ASN 601 Cb 0.07 0.02 0.09 0.00 -1.45 0.00 0.00 41.25 39.98 2ww0 s ASN 601 CO 0.17 -0.33 1.61 1.56 -3.72 0.00 0.00 177.10 176.39 2ww0 h GLN 602 N 3.14 0.94 -0.98 0.43 7.50 -1.85 -3.27 115.11 121.03 2ww0 h GLN 602 Ca -0.37 -0.36 0.14 0.00 0.50 0.00 0.00 58.65 58.56 2ww0 h GLN 602 Cb 1.18 -0.05 -0.09 0.00 0.05 0.00 0.00 27.48 28.58 2ww0 h GLN 602 CO 0.59 1.02 0.62 -1.35 -1.50 0.00 0.00 178.83 178.22 2ww0 h PRO 603 N 0.83 0.87 -0.27 1.46 0.11 -1.92 -2.06 132.00 131.03 2ww0 h PRO 603 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2ww0 h PRO 603 Cb 0.70 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2ww0 h PRO 603 CO 0.05 0.58 0.00 1.51 -0.21 0.00 0.00 178.00 179.93 2ww0 n ILE 604 N -4.63 0.35 0.38 4.15 3.06 -1.23 -4.45 119.36 116.99 2ww0 n ILE 604 Ca 0.19 -0.52 0.13 0.00 -2.50 0.00 0.00 62.75 60.05 2ww0 n ILE 604 Cb 0.42 0.61 0.53 0.00 0.54 0.00 0.00 39.64 41.74 2ww0 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww0 h GLN 605 N 3.15 0.00 0.00 9.51 4.20 -1.52 -2.20 115.11 128.25 2ww0 h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ww0 h GLN 605 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2ww0 h GLN 605 CO 0.00 0.00 -1.29 -2.39 -0.67 0.00 0.00 178.83 174.48 2ww0 n HIS 606 N -2.42 0.20 -0.11 2.96 1.44 -1.26 -4.69 115.22 111.34 2ww0 n HIS 606 Ca 0.02 0.06 -0.05 0.00 -2.01 0.00 0.00 57.72 55.73 2ww0 n HIS 606 Cb 0.25 -0.42 0.01 0.00 0.12 0.00 0.00 29.99 29.95 2ww0 n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2ww0 h MET 607 N 0.00 -0.03 -1.00 -1.40 -1.53 -1.70 -1.53 114.93 107.75 2ww0 h MET 607 Ca 0.00 0.00 0.25 0.00 -3.44 0.00 0.00 59.70 56.51 2ww0 h MET 607 Cb 0.78 0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 31.76 2ww0 h MET 607 CO 0.00 -0.02 0.66 0.82 0.14 0.00 0.00 176.91 178.51 2ww0 h ILE 608 N -0.03 0.57 0.00 1.77 2.04 -1.84 0.49 117.51 120.52 2ww0 h ILE 608 Ca 0.18 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2ww0 h ILE 608 Cb 0.30 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2ww0 h ILE 608 CO -0.40 0.06 -0.08 1.88 0.00 0.00 0.00 178.15 179.61 2ww0 h TYR 609 N 0.34 0.00 -0.21 1.37 -1.99 -1.62 -2.66 116.97 112.21 2ww0 h TYR 609 Ca 0.54 0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.33 2ww0 h TYR 609 Cb 1.47 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.19 2ww0 h TYR 609 CO -0.00 0.08 0.17 -0.07 -0.00 0.00 0.00 178.16 178.34 2ww0 h LEU 610 N 0.00 0.00 -1.54 3.88 4.07 -0.09 -0.36 115.31 121.27 2ww0 h LEU 610 Ca -0.00 0.00 0.28 0.00 0.08 0.00 0.00 57.88 58.24 2ww0 h LEU 610 Cb 0.41 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.07 2ww0 h LEU 610 CO 0.01 0.00 0.70 1.88 -1.08 0.00 0.00 178.44 179.95 2ww0 h TYR 611 N 0.00 0.48 -0.99 1.13 0.05 -1.61 0.28 116.97 116.30 2ww0 h TYR 611 Ca 0.10 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.92 2ww0 h TYR 611 Cb 0.43 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 2ww0 h TYR 611 CO 0.00 0.05 0.65 -0.44 -1.05 0.00 0.00 178.16 177.37 2ww0 h ASP 612 N 0.29 1.11 0.78 3.88 5.19 -1.29 -1.85 116.42 124.53 2ww0 h ASP 612 Ca 0.57 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 2ww0 h ASP 612 Cb 1.66 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.91 2ww0 h ASP 612 CO -0.22 0.78 0.00 1.88 -3.12 0.00 0.00 179.24 178.57 2ww0 h TYR 613 N 1.30 0.00 -0.60 4.55 -1.99 -0.59 -2.72 116.97 116.91 2ww0 h TYR 613 Ca 0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 2ww0 h TYR 613 Cb -0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.65 2ww0 h TYR 613 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 2ww0 n ALA 614 N -2.00 2.53 -1.80 3.88 0.00 -0.73 -4.93 120.51 117.46 2ww0 n ALA 614 Ca 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 53.44 52.01 2ww0 n ALA 614 Cb 0.25 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 2ww0 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww0 n GLY 615 N 1.15 0.35 2.38 0.00 0.00 -1.03 -4.90 105.19 103.14 2ww0 n GLY 615 Ca 0.22 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 2ww0 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww0 n GLN 616 N -1.86 1.51 0.25 1.61 6.02 -1.00 -4.60 117.38 119.30 2ww0 n GLN 616 Ca -0.05 -3.72 0.17 0.00 -0.01 0.00 0.00 57.00 53.39 2ww0 n GLN 616 Cb 0.42 -1.81 0.88 0.00 1.02 0.00 0.00 30.24 30.75 2ww0 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww0 h PRO 617 N 2.99 0.00 -0.17 -1.09 0.13 -1.84 -1.52 132.00 130.51 2ww0 h PRO 617 Ca 0.10 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 2ww0 h PRO 617 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ww0 h PRO 617 CO 0.57 0.00 -0.26 0.11 -0.23 0.00 0.00 178.00 178.19 2ww0 h TRP 618 N 0.00 0.34 -0.25 1.56 0.09 -1.90 -0.09 115.95 115.70 2ww0 h TRP 618 Ca 0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 58.89 58.86 2ww0 h TRP 618 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.16 29.48 2ww0 h TRP 618 CO 0.00 0.55 -0.31 0.87 0.09 0.00 0.00 178.44 179.64 2ww0 h LYS 619 N 0.27 0.52 -0.39 0.12 1.57 -1.66 -0.39 116.57 116.61 2ww0 h LYS 619 Ca 0.04 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2ww0 h LYS 619 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2ww0 h LYS 619 CO 0.04 0.77 0.04 0.00 -0.57 0.00 0.00 179.45 179.74 2ww0 h ALA 620 N 1.22 0.52 -0.42 3.86 0.00 -1.42 -2.30 119.26 120.71 2ww0 h ALA 620 Ca 0.06 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ww0 h ALA 620 Cb 0.76 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2ww0 h ALA 620 CO 0.06 0.25 0.18 1.96 0.00 0.00 0.00 179.25 181.70 2ww0 h GLN 621 N 0.49 0.35 0.36 0.00 4.20 -0.59 -0.22 115.11 119.71 2ww0 h GLN 621 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2ww0 h GLN 621 Cb 0.40 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2ww0 h GLN 621 CO 0.01 0.23 -0.23 -0.92 -0.67 0.00 0.00 178.83 177.25 2ww0 h TYR 622 N 0.37 -0.61 -0.27 2.96 3.20 -0.93 -2.55 116.97 119.14 2ww0 h TYR 622 Ca 0.19 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2ww0 h TYR 622 Cb 0.14 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2ww0 h TYR 622 CO -0.13 -0.36 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.26 2ww0 h TRP 623 N -0.57 0.81 -0.57 -3.82 4.06 -1.28 -2.49 115.95 112.09 2ww0 h TRP 623 Ca -0.04 -0.25 0.11 0.00 2.06 0.00 0.00 58.89 60.78 2ww0 h TRP 623 Cb 0.48 -0.17 -0.09 0.00 -1.00 0.00 0.00 29.16 28.38 2ww0 h TRP 623 CO -0.10 0.99 0.02 -0.07 -3.56 0.00 0.00 178.44 175.71 2ww0 h LEU 624 N 0.41 -0.21 -1.05 -4.49 4.07 -1.06 -0.08 115.31 112.90 2ww0 h LEU 624 Ca 0.04 0.13 -0.07 0.00 0.08 0.00 0.00 57.88 58.07 2ww0 h LEU 624 Cb 0.85 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 2ww0 h LEU 624 CO 0.07 -0.08 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.24 2ww0 h ARG 625 N 0.14 0.65 0.04 1.13 9.65 -1.37 -0.82 114.38 123.80 2ww0 h ARG 625 Ca 0.29 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 2ww0 h ARG 625 Cb 0.46 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 2ww0 h ARG 625 CO -0.46 0.69 -0.28 1.96 2.80 0.00 0.00 179.97 184.68 2ww0 h GLN 626 N 0.61 -0.43 -0.07 0.20 1.08 -0.70 -1.13 115.11 114.69 2ww0 h GLN 626 Ca 0.12 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 2ww0 h GLN 626 Cb 0.42 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 2ww0 h GLN 626 CO 0.02 -0.29 -0.04 0.28 -0.95 0.00 0.00 178.83 177.85 2ww0 h VAL 627 N -0.44 0.86 -0.30 -0.54 2.07 -0.53 0.01 116.25 117.37 2ww0 h VAL 627 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2ww0 h VAL 627 Cb 0.51 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2ww0 h VAL 627 CO -0.21 0.00 0.18 0.24 0.02 0.00 0.00 177.57 177.80 2ww0 h MET 628 N -0.05 0.40 0.10 1.57 2.86 -1.02 0.76 114.93 119.54 2ww0 h MET 628 Ca 0.04 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.40 2ww0 h MET 628 Cb 0.11 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2ww0 h MET 628 CO -0.10 0.28 -1.17 -0.44 1.06 0.00 0.00 176.91 176.54 2ww0 h ASP 629 N 0.41 0.37 0.00 1.22 3.32 -0.68 -3.39 116.42 117.67 2ww0 h ASP 629 Ca 0.11 -0.39 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 2ww0 h ASP 629 Cb -0.01 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2ww0 h ASP 629 CO -0.02 1.28 -1.70 0.54 -1.72 0.00 0.00 179.24 177.63 2ww0 n ARG 630 N -3.54 1.97 -0.06 3.56 1.74 -0.06 -4.62 116.66 115.66 2ww0 n ARG 630 Ca -0.07 -0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.11 2ww0 n ARG 630 Cb 0.99 -1.27 0.26 0.00 -1.02 0.00 0.00 32.46 31.42 2ww0 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww0 n MET 631 N -2.32 2.14 -4.06 5.56 2.81 0.22 -4.84 117.12 116.63 2ww0 n MET 631 Ca -0.15 -1.68 -0.18 0.00 -1.81 0.00 0.00 57.70 53.87 2ww0 n MET 631 Cb 0.76 -1.47 -0.16 0.00 -0.71 0.00 0.00 33.22 31.64 2ww0 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww0 s TYR 632 N -1.83 0.53 0.04 2.03 1.51 -1.26 -3.52 117.35 114.86 2ww0 s TYR 632 Ca 0.34 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.28 2ww0 s TYR 632 Cb 0.21 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 2ww0 s TYR 632 CO 0.31 -0.16 -0.02 0.95 -1.11 0.00 0.00 175.55 175.52 2ww0 s THR 633 N 0.94 0.19 -2.17 -0.71 -4.23 0.07 -4.87 115.64 104.87 2ww0 s THR 633 Ca -0.11 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.04 2ww0 s THR 633 Cb -0.14 -1.20 0.44 0.00 1.34 0.00 0.00 72.50 72.94 2ww0 s THR 633 CO -0.01 -0.85 1.53 -0.81 -0.54 0.00 0.00 174.62 173.94 2ww0 n PRO 634 N 0.47 1.53 -1.17 3.99 -0.04 -1.26 -4.18 135.00 134.35 2ww0 n PRO 634 Ca -0.17 -0.81 -0.10 0.00 -0.04 0.00 0.00 63.50 62.39 2ww0 n PRO 634 Cb 0.60 -1.34 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 2ww0 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 635 N 1.01 0.08 0.31 0.55 0.00 -1.26 -4.75 105.19 101.14 2ww0 n GLY 635 Ca 0.14 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.35 2ww0 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww0 h PRO 636 N 0.00 0.35 -1.64 1.61 0.11 -1.92 -1.90 132.00 128.62 2ww0 h PRO 636 Ca -0.14 -0.02 -0.74 0.00 0.11 0.00 0.00 66.00 65.21 2ww0 h PRO 636 Cb 0.47 -0.08 -0.28 0.00 0.11 0.00 0.00 31.00 31.22 2ww0 h PRO 636 CO 0.13 0.23 1.00 -0.40 -0.21 0.00 0.00 178.00 178.75 2ww0 n ASP 637 N -4.48 7.60 0.04 -2.05 3.85 -1.26 0.12 116.55 120.36 2ww0 n ASP 637 Ca 0.04 -3.82 -0.08 0.00 -0.71 0.00 0.00 54.79 50.22 2ww0 n ASP 637 Cb 0.18 -1.04 0.07 0.00 -1.35 0.00 0.00 41.12 38.98 2ww0 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww0 h GLY 638 N 2.64 0.48 -1.31 6.12 0.00 -1.38 -3.46 103.07 106.16 2ww0 h GLY 638 Ca 0.58 -0.59 -0.46 0.00 0.00 0.00 0.00 47.33 46.86 2ww0 h GLY 638 CO 1.50 0.53 0.17 -0.19 0.00 0.00 0.00 176.54 178.54 2ww0 s TYR 639 N -3.87 1.86 -0.58 5.60 1.51 -0.19 -0.75 117.35 120.93 2ww0 s TYR 639 Ca -0.06 -0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 2ww0 s TYR 639 Cb 0.11 -3.21 0.19 0.00 -0.11 0.00 0.00 41.96 38.95 2ww0 s TYR 639 CO 0.83 -1.78 1.16 0.00 -1.11 0.00 0.00 175.55 174.65 2ww0 n GLY 641 N 0.13 0.50 3.76 0.00 0.00 -1.22 -4.47 105.19 103.89 2ww0 n GLY 641 Ca 0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2ww0 n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww0 s ASP 642 N -1.96 6.42 0.24 1.61 1.01 -1.25 -2.68 116.67 120.07 2ww0 s ASP 642 Ca 0.10 2.93 0.02 0.00 0.71 0.00 0.00 52.55 56.31 2ww0 s ASP 642 Cb -0.00 -2.65 0.28 0.00 1.01 0.00 0.00 42.92 41.56 2ww0 s ASP 642 CO -0.00 -0.85 1.61 -0.08 0.21 0.00 0.00 175.17 176.06 2ww0 h GLU 643 N 4.14 0.41 -5.57 8.23 4.22 -1.55 -3.44 114.58 121.02 2ww0 h GLU 643 Ca -0.48 -0.22 -0.28 0.00 0.08 0.00 0.00 59.36 58.45 2ww0 h GLU 643 Cb 1.23 0.01 0.18 0.00 0.50 0.00 0.00 28.75 30.67 2ww0 h GLU 643 CO 0.73 0.79 -0.85 -0.25 -2.18 0.00 0.00 179.01 177.25 2ww0 n ASP 644 N -3.99 -5.60 -3.26 1.04 8.00 -1.26 -1.90 116.55 109.58 2ww0 n ASP 644 Ca -0.02 -0.72 -0.23 0.00 0.71 0.00 0.00 54.79 54.52 2ww0 n ASP 644 Cb 0.53 -5.02 0.02 0.00 -0.02 0.00 0.00 41.12 36.64 2ww0 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww0 n ASN 645 N -3.16 -5.03 0.00 -2.24 4.13 -1.26 -2.44 115.26 105.26 2ww0 n ASN 645 Ca -0.12 -0.38 0.00 0.00 1.68 0.00 0.00 54.58 55.77 2ww0 n ASN 645 Cb 0.63 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 2ww0 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww0 n GLY 646 N -1.41 2.96 0.40 7.41 0.00 -1.24 -4.59 105.19 108.73 2ww0 n GLY 646 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2ww0 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww0 h GLN 647 N 1.76 -0.95 0.00 1.61 5.75 -1.50 0.65 115.11 122.43 2ww0 h GLN 647 Ca 0.00 0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2ww0 h GLN 647 Cb 0.00 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2ww0 h GLN 647 CO 0.00 -0.61 -0.17 1.15 -2.65 0.00 0.00 178.83 176.55 2ww0 h THR 648 N -1.07 0.92 -0.00 2.39 2.02 -1.62 -1.23 112.91 114.32 2ww0 h THR 648 Ca -0.10 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2ww0 h THR 648 Cb 0.77 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2ww0 h THR 648 CO 0.16 0.17 -0.07 0.28 0.37 0.00 0.00 175.52 176.43 2ww0 h SER 649 N 0.00 0.07 0.11 4.18 0.02 -1.67 -3.26 113.55 113.01 2ww0 h SER 649 Ca -0.00 -0.74 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 2ww0 h SER 649 Cb 0.34 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2ww0 h SER 649 CO 0.02 0.80 -0.06 0.00 -1.14 0.00 0.00 176.83 176.45 2ww0 h ALA 650 N 0.27 1.60 -0.53 3.77 0.00 0.51 -0.97 119.26 123.89 2ww0 h ALA 650 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ww0 h ALA 650 Cb 0.81 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2ww0 h ALA 650 CO 0.01 0.08 0.33 2.35 0.00 0.00 0.00 179.25 182.02 2ww0 h TRP 651 N 0.00 0.62 -0.37 0.00 7.01 -1.27 0.03 115.95 121.97 2ww0 h TRP 651 Ca -0.00 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 2ww0 h TRP 651 Cb 0.13 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 2ww0 h TRP 651 CO 0.00 0.37 -0.03 -0.92 -2.79 0.00 0.00 178.44 175.07 2ww0 h TYR 652 N 0.66 0.74 0.03 2.65 5.03 -1.25 -0.39 116.97 124.44 2ww0 h TYR 652 Ca 0.21 -0.14 0.02 0.00 2.58 0.00 0.00 58.73 61.40 2ww0 h TYR 652 Cb -0.01 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.05 2ww0 h TYR 652 CO -0.05 0.78 -0.16 0.28 -1.32 0.00 0.00 178.16 177.68 2ww0 h VAL 653 N 0.48 0.61 0.55 1.81 2.07 -0.82 0.25 116.25 121.20 2ww0 h VAL 653 Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2ww0 h VAL 653 Cb 0.51 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2ww0 h VAL 653 CO 0.02 0.00 -0.28 -0.26 0.02 0.00 0.00 177.57 177.08 2ww0 h PHE 654 N -0.29 -0.72 -1.00 1.57 0.04 -0.99 -2.71 116.94 112.84 2ww0 h PHE 654 Ca 0.04 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.90 2ww0 h PHE 654 Cb 0.34 0.24 -0.08 0.00 2.20 0.00 0.00 35.95 38.66 2ww0 h PHE 654 CO -0.20 -0.44 0.64 0.77 -0.60 0.00 0.00 178.31 178.47 2ww0 h SER 655 N -0.76 0.97 0.03 2.17 0.02 -0.79 0.16 113.55 115.36 2ww0 h SER 655 Ca -0.07 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2ww0 h SER 655 Cb 0.59 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2ww0 h SER 655 CO 0.11 0.56 -0.14 0.00 -1.14 0.00 0.00 176.83 176.22 2ww0 h ALA 656 N 1.51 1.50 -0.11 3.77 0.00 -0.43 -2.14 119.26 123.37 2ww0 h ALA 656 Ca 0.47 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2ww0 h ALA 656 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ww0 h ALA 656 CO -0.23 0.35 -0.59 -0.07 0.00 0.00 0.00 179.25 178.72 2ww0 h LEU 657 N 0.22 0.40 0.00 0.00 3.38 -0.40 0.12 115.31 119.03 2ww0 h LEU 657 Ca 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2ww0 h LEU 657 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ww0 h LEU 657 CO 0.02 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2ww0 n GLY 658 N 0.26 0.88 3.48 0.83 0.00 -0.56 -4.45 105.19 105.62 2ww0 n GLY 658 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww0 s PHE 659 N -1.67 0.03 -0.10 1.61 -0.12 -1.18 0.97 117.98 117.52 2ww0 s PHE 659 Ca 0.00 -0.38 -0.11 0.00 -0.05 0.00 0.00 56.93 56.39 2ww0 s PHE 659 Cb 0.00 0.27 0.03 0.00 -0.63 0.00 0.00 43.02 42.69 2ww0 s PHE 659 CO 0.00 -0.87 0.30 -0.47 -0.05 0.00 0.00 175.22 174.13 2ww0 s TYR 660 N -3.90 -0.30 -1.35 3.49 6.14 0.14 -3.75 117.35 117.82 2ww0 s TYR 660 Ca 0.11 0.71 -0.15 0.00 0.64 0.00 0.00 57.07 58.38 2ww0 s TYR 660 Cb 0.00 0.11 0.08 0.00 0.42 0.00 0.00 41.96 42.56 2ww0 s TYR 660 CO -0.02 -0.19 1.91 -0.35 0.64 0.00 0.00 175.55 177.54 2ww0 n PRO 661 N 2.67 3.11 -0.20 4.97 -0.04 -1.26 0.10 135.00 144.35 2ww0 n PRO 661 Ca -0.14 -3.09 0.01 0.00 -0.04 0.00 0.00 63.50 60.24 2ww0 n PRO 661 Cb 0.58 -3.33 0.12 0.00 -0.04 0.00 0.00 33.50 30.82 2ww0 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww0 h VAL 662 N 4.74 0.69 -3.12 0.52 2.07 -1.87 -3.32 116.25 115.95 2ww0 h VAL 662 Ca 0.48 -0.11 -0.62 0.00 0.82 0.00 0.00 66.70 67.26 2ww0 h VAL 662 Cb 0.76 0.33 -0.41 0.00 -1.52 0.00 0.00 31.29 30.45 2ww0 h VAL 662 CO 1.62 0.06 -0.64 0.00 0.02 0.00 0.00 177.57 178.63 2ww0 n PRO 664 N 2.62 2.12 0.00 0.00 -0.02 -1.25 -1.95 135.00 136.52 2ww0 n PRO 664 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2ww0 n PRO 664 Cb 0.35 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2ww0 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww0 n GLY 665 N 0.76 2.63 4.01 -1.23 0.00 -1.26 -4.85 105.19 105.25 2ww0 n GLY 665 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2ww0 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 666 N -2.36 2.54 -0.36 2.61 -4.23 -0.82 -4.90 115.64 108.11 2ww0 s THR 666 Ca 0.00 -0.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.68 2ww0 s THR 666 Cb 0.00 -2.63 0.68 0.00 1.34 0.00 0.00 72.50 71.89 2ww0 s THR 666 CO 0.00 0.00 1.75 -0.90 -0.54 0.00 0.00 174.62 174.93 2ww0 n ASP 667 N -2.17 4.43 -4.49 3.99 5.75 -1.26 -4.97 116.55 117.83 2ww0 n ASP 667 Ca 0.12 -3.20 -0.33 0.00 -0.01 0.00 0.00 54.79 51.37 2ww0 n ASP 667 Cb 0.60 -0.75 -0.13 0.00 -1.03 0.00 0.00 41.12 39.82 2ww0 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww0 s GLU 668 N -2.84 2.79 -0.23 0.11 2.02 -1.26 -0.12 118.70 119.17 2ww0 s GLU 668 Ca 0.51 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 2ww0 s GLU 668 Cb 0.41 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 32.15 2ww0 s GLU 668 CO 0.12 0.54 -0.07 0.71 0.02 0.00 0.00 175.26 176.58 2ww0 s TYR 669 N -0.50 3.01 0.36 1.61 1.51 -0.20 -4.52 117.35 118.62 2ww0 s TYR 669 Ca 0.07 -1.41 -0.26 0.00 -1.01 0.00 0.00 57.07 54.46 2ww0 s TYR 669 Cb -0.12 -2.06 -0.09 0.00 -0.11 0.00 0.00 41.96 39.58 2ww0 s TYR 669 CO 0.02 -0.69 1.08 0.08 -1.11 0.00 0.00 175.55 174.93 2ww0 s VAL 670 N 1.36 3.56 -0.04 0.71 1.01 0.12 -1.05 120.40 126.06 2ww0 s VAL 670 Ca 0.02 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.06 2ww0 s VAL 670 Cb -0.16 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2ww0 s VAL 670 CO -0.05 0.14 0.83 -0.32 0.00 0.00 0.00 175.10 175.69 2ww0 s MET 671 N -2.13 4.49 0.00 2.72 1.75 0.10 -0.68 119.30 125.55 2ww0 s MET 671 Ca 0.53 1.13 0.00 0.00 -1.25 0.00 0.00 55.69 56.10 2ww0 s MET 671 Cb -0.27 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 33.95 2ww0 s MET 671 CO 0.34 0.01 0.00 0.41 -0.65 0.00 0.00 175.02 175.12 2ww0 n GLY 672 N 3.02 1.28 3.01 2.11 0.00 0.27 -4.92 105.19 109.96 2ww0 n GLY 672 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2ww0 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww0 s THR 673 N 3.15 -0.04 0.31 2.61 -1.32 -1.24 -4.74 115.64 114.38 2ww0 s THR 673 Ca 0.00 0.14 -0.28 0.00 -1.21 0.00 0.00 61.69 60.34 2ww0 s THR 673 Cb 0.00 -0.32 -0.09 0.00 -1.51 0.00 0.00 72.50 70.58 2ww0 s THR 673 CO 0.00 0.06 1.10 -2.16 -2.21 0.00 0.00 174.62 171.41 2ww0 s PRO 674 N 1.10 4.53 0.19 7.08 0.04 -1.26 -4.29 135.00 142.38 2ww0 s PRO 674 Ca -0.08 1.77 0.18 0.00 0.04 0.00 0.00 61.00 62.92 2ww0 s PRO 674 Cb -0.10 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 2ww0 s PRO 674 CO -0.07 0.12 1.10 1.25 0.04 0.00 0.00 177.00 179.45 2ww0 h LEU 675 N 3.54 0.00 -9.72 -3.56 5.85 -0.98 -3.48 115.31 106.96 2ww0 h LEU 675 Ca -0.47 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 57.71 2ww0 h LEU 675 Cb 1.21 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2ww0 h LEU 675 CO 0.66 0.37 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.18 2ww0 s PHE 676 N -3.07 2.83 0.06 1.25 0.08 -1.26 -4.91 117.98 112.97 2ww0 s PHE 676 Ca 0.00 -0.21 0.21 0.00 0.12 0.00 0.00 56.93 57.05 2ww0 s PHE 676 Cb 0.08 -1.35 0.65 0.00 -0.57 0.00 0.00 43.02 41.84 2ww0 s PHE 676 CO 0.78 0.53 1.71 0.87 -0.10 0.00 0.00 175.22 179.01 2ww0 h LYS 677 N 1.69 0.00 -2.33 0.44 1.57 -1.25 -3.41 116.57 113.27 2ww0 h LYS 677 Ca -0.45 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 2ww0 h LYS 677 Cb 1.25 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 2ww0 h LYS 677 CO 0.61 0.32 -0.12 0.21 -0.57 0.00 0.00 179.45 179.90 2ww0 s LYS 678 N -3.48 0.57 0.02 3.15 2.20 -1.01 -0.15 119.74 121.04 2ww0 s LYS 678 Ca 0.01 0.96 0.05 0.00 -0.36 0.00 0.00 55.97 56.63 2ww0 s LYS 678 Cb 0.10 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2ww0 s LYS 678 CO 0.67 -0.14 -0.15 0.00 -0.36 0.00 0.00 175.35 175.37 2ww0 s ALA 679 N 1.25 1.28 -0.07 3.13 0.00 -0.76 -0.73 121.76 125.86 2ww0 s ALA 679 Ca -0.08 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2ww0 s ALA 679 Cb -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2ww0 s ALA 679 CO -0.13 0.28 -0.14 0.99 0.00 0.00 0.00 175.76 176.76 2ww0 s THR 680 N -0.63 1.28 -0.12 0.00 2.01 0.70 0.09 115.64 118.97 2ww0 s THR 680 Ca 0.04 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 2ww0 s THR 680 Cb -0.07 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2ww0 s THR 680 CO 0.01 0.39 0.02 -0.76 -0.69 0.00 0.00 174.62 173.58 2ww0 s LEU 681 N 0.66 3.62 -0.32 4.42 1.43 0.22 -1.71 118.68 126.99 2ww0 s LEU 681 Ca -0.14 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2ww0 s LEU 681 Cb -0.16 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2ww0 s LEU 681 CO 0.04 0.30 0.04 -1.00 0.23 0.00 0.00 176.35 175.96 2ww0 s HIS 682 N -0.39 3.36 0.48 0.29 3.76 -0.06 -1.09 115.29 121.63 2ww0 s HIS 682 Ca 0.08 -2.07 -0.11 0.00 -0.15 0.00 0.00 55.06 52.80 2ww0 s HIS 682 Cb -0.12 -2.39 -0.06 0.00 1.11 0.00 0.00 32.58 31.12 2ww0 s HIS 682 CO 0.02 -0.85 0.87 -0.06 -0.85 0.00 0.00 174.74 173.87 2ww0 s PHE 683 N 1.20 3.50 0.61 1.40 0.08 -0.68 -4.82 117.98 119.27 2ww0 s PHE 683 Ca -0.01 1.16 0.31 0.00 0.12 0.00 0.00 56.93 58.51 2ww0 s PHE 683 Cb -0.20 -2.56 1.80 0.00 -0.57 0.00 0.00 43.02 41.49 2ww0 s PHE 683 CO -0.02 -0.29 2.14 0.93 -0.10 0.00 0.00 175.22 177.88 2ww0 h GLU 684 N 0.79 0.00 0.00 0.44 5.08 -1.88 -1.74 114.58 117.26 2ww0 h GLU 684 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2ww0 h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ww0 h GLU 684 CO 0.63 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.91 2ww0 n ASN 685 N -3.59 0.00 0.00 1.42 2.04 -1.26 -4.88 115.26 108.99 2ww0 n ASN 685 Ca -0.00 -0.89 0.00 0.00 -0.44 0.00 0.00 54.58 53.25 2ww0 n ASN 685 Cb 0.27 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 2ww0 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww0 n GLY 686 N 0.75 2.62 3.91 4.83 0.00 -0.66 -5.06 105.19 111.57 2ww0 n GLY 686 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2ww0 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 687 N -1.26 5.74 0.08 1.61 0.01 -1.26 -4.89 114.94 114.97 2ww0 s ASN 687 Ca 0.00 0.87 0.06 0.00 -0.71 0.00 0.00 52.86 53.08 2ww0 s ASN 687 Cb 0.00 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 2ww0 s ASN 687 CO 0.00 -1.00 -0.16 -0.44 -1.51 0.00 0.00 177.10 173.99 2ww0 s SER 688 N -4.27 1.93 -0.12 -1.22 0.01 -1.26 -1.69 113.70 107.09 2ww0 s SER 688 Ca 0.53 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2ww0 s SER 688 Cb -0.11 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.07 2ww0 s SER 688 CO 0.47 -0.04 -0.10 -0.22 0.41 0.00 0.00 173.24 173.76 2ww0 s LEU 689 N -1.82 1.37 -0.20 2.44 1.98 -0.25 -0.97 118.68 121.23 2ww0 s LEU 689 Ca 0.01 -0.35 -0.07 0.00 -2.89 0.00 0.00 54.13 50.83 2ww0 s LEU 689 Cb -0.10 -0.93 -0.04 0.00 0.66 0.00 0.00 46.19 45.78 2ww0 s LEU 689 CO 0.03 -0.08 0.05 -0.69 -1.89 0.00 0.00 176.35 173.77 2ww0 s VAL 690 N 1.53 4.52 -0.46 1.68 1.01 -0.18 -0.61 120.40 127.90 2ww0 s VAL 690 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2ww0 s VAL 690 Cb -0.13 -3.05 0.11 0.00 0.00 0.00 0.00 36.38 33.31 2ww0 s VAL 690 CO -0.08 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.14 2ww0 s ILE 691 N 0.74 4.22 -0.32 2.22 1.01 0.11 0.34 121.20 129.53 2ww0 s ILE 691 Ca 0.03 -1.68 -0.18 0.00 0.00 0.00 0.00 60.65 58.81 2ww0 s ILE 691 Cb -0.14 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2ww0 s ILE 691 CO 0.02 -0.71 0.54 -1.81 0.00 0.00 0.00 174.94 172.98 2ww0 s ASP 692 N 2.53 6.38 -0.47 3.58 -0.00 0.87 -1.82 116.67 127.74 2ww0 s ASP 692 Ca 0.05 0.22 0.08 0.00 -0.00 0.00 0.00 52.55 52.90 2ww0 s ASP 692 Cb -0.25 -2.28 0.33 0.00 -0.00 0.00 0.00 42.92 40.71 2ww0 s ASP 692 CO 0.00 -0.43 0.79 0.00 -0.00 0.00 0.00 175.17 175.53 2ww0 n ALA 693 N 5.72 3.23 0.01 5.23 0.00 0.78 0.05 120.51 135.54 2ww0 n ALA 693 Ca -0.04 -4.01 0.22 0.00 0.00 0.00 0.00 53.44 49.61 2ww0 n ALA 693 Cb 0.49 -0.84 0.73 0.00 0.00 0.00 0.00 19.45 19.83 2ww0 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww0 h PRO 694 N 3.20 0.00 -0.67 0.00 0.13 -1.76 -0.64 132.00 132.25 2ww0 h PRO 694 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ww0 h PRO 694 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2ww0 h PRO 694 CO 0.65 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.71 2ww0 n ASN 695 N -3.94 3.91 -4.75 1.44 4.05 -1.26 -4.97 115.26 109.74 2ww0 n ASN 695 Ca 0.10 -2.15 -0.38 0.00 0.45 0.00 0.00 54.58 52.60 2ww0 n ASN 695 Cb 0.70 -0.49 0.03 0.00 1.23 0.00 0.00 39.78 41.25 2ww0 n ASN 695 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2ww0 s ASN 696 N -0.95 5.47 0.38 1.20 3.84 -0.25 -4.73 114.94 119.91 2ww0 s ASN 696 Ca 0.46 2.58 -0.16 0.00 0.21 0.00 0.00 52.86 55.95 2ww0 s ASN 696 Cb 0.26 -2.62 0.06 0.00 -0.55 0.00 0.00 41.25 38.40 2ww0 s ASN 696 CO 0.28 -1.42 0.81 -0.94 -2.79 0.00 0.00 177.10 173.04 2ww0 s SER 697 N -1.18 0.01 0.41 -4.21 1.04 -1.25 -4.91 113.70 103.62 2ww0 s SER 697 Ca 0.71 -1.13 0.17 0.00 0.48 0.00 0.00 55.95 56.17 2ww0 s SER 697 Cb -0.36 0.83 0.90 0.00 0.10 0.00 0.00 66.02 67.50 2ww0 s SER 697 CO 0.42 -1.66 1.88 0.74 0.98 0.00 0.00 173.24 175.60 2ww0 h THR 698 N 2.00 1.05 0.12 2.02 2.02 -1.97 -3.17 112.91 114.98 2ww0 h THR 698 Ca -0.32 -1.08 -0.34 0.00 0.77 0.00 0.00 66.41 65.44 2ww0 h THR 698 Cb 1.25 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2ww0 h THR 698 CO 0.41 0.29 -1.84 -0.33 0.37 0.00 0.00 175.52 174.42 2ww0 h GLU 699 N 0.00 0.25 -3.92 6.66 3.07 -1.96 -3.42 114.58 115.26 2ww0 h GLU 699 Ca -0.00 -0.43 -0.76 0.00 -0.50 0.00 0.00 59.36 57.67 2ww0 h GLU 699 Cb 0.58 0.16 -0.18 0.00 -0.84 0.00 0.00 28.75 28.47 2ww0 h GLU 699 CO 0.04 1.12 1.60 0.09 -1.40 0.00 0.00 179.01 180.46 2ww0 n ASN 700 N -3.44 5.27 -0.63 1.42 5.03 -1.20 -4.30 115.26 117.42 2ww0 n ASN 700 Ca -0.26 -3.08 0.07 0.00 0.87 0.00 0.00 54.58 52.18 2ww0 n ASN 700 Cb 1.05 -1.49 0.10 0.00 -1.02 0.00 0.00 39.78 38.43 2ww0 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww0 n PHE 701 N 4.25 0.20 -3.46 3.10 1.16 -0.99 -3.75 117.46 117.96 2ww0 n PHE 701 Ca 0.37 -0.18 -0.36 0.00 -1.87 0.00 0.00 57.45 55.41 2ww0 n PHE 701 Cb 0.38 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 2ww0 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww0 s TYR 702 N -1.09 3.64 -0.34 2.97 2.02 -0.31 -4.72 117.35 119.51 2ww0 s TYR 702 Ca 0.20 0.96 -0.19 0.00 -0.37 0.00 0.00 57.07 57.67 2ww0 s TYR 702 Cb 0.13 -2.28 -0.00 0.00 -0.40 0.00 0.00 41.96 39.40 2ww0 s TYR 702 CO 0.18 0.52 0.57 0.42 -1.57 0.00 0.00 175.55 175.67 2ww0 s ILE 703 N -1.33 4.97 -0.12 2.71 1.01 -1.26 -0.18 121.20 126.99 2ww0 s ILE 703 Ca 0.32 0.51 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 2ww0 s ILE 703 Cb -0.15 -4.00 -0.26 0.00 0.01 0.00 0.00 42.46 38.06 2ww0 s ILE 703 CO 0.17 -0.22 0.49 -0.78 0.00 0.00 0.00 174.94 174.60 2ww0 h ASP 704 N 8.40 0.31 -5.17 3.58 3.58 -1.26 -3.41 116.42 122.45 2ww0 h ASP 704 Ca -0.27 -0.81 -0.07 0.00 0.42 0.00 0.00 57.03 56.29 2ww0 h ASP 704 Cb 1.12 -0.10 -0.12 0.00 1.72 0.00 0.00 39.33 41.95 2ww0 h ASP 704 CO 0.79 1.60 -0.22 -0.94 -2.88 0.00 0.00 179.24 177.60 2ww0 s SER 705 N -6.97 -0.05 -0.09 2.28 1.04 -1.23 -4.89 113.70 103.79 2ww0 s SER 705 Ca -0.22 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 55.51 2ww0 s SER 705 Cb 0.05 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2ww0 s SER 705 CO 0.73 -0.88 0.23 -0.32 0.98 0.00 0.00 173.24 173.99 2ww0 s MET 706 N -3.89 0.23 0.03 4.02 1.75 -1.26 -1.59 119.30 118.59 2ww0 s MET 706 Ca 0.10 0.40 0.04 0.00 -1.25 0.00 0.00 55.69 54.98 2ww0 s MET 706 Cb 0.03 0.02 -0.02 0.00 2.84 0.00 0.00 34.83 37.70 2ww0 s MET 706 CO -0.05 -0.09 -0.12 -1.54 -0.65 0.00 0.00 175.02 172.56 2ww0 s SER 707 N 0.60 1.44 -0.32 1.11 1.04 -0.41 0.94 113.70 118.12 2ww0 s SER 707 Ca -0.04 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.01 2ww0 s SER 707 Cb -0.05 -0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.06 2ww0 s SER 707 CO -0.03 0.02 0.00 0.12 0.98 0.00 0.00 173.24 174.33 2ww0 s PHE 708 N -0.79 3.58 -1.43 5.02 2.19 0.81 -0.39 117.98 126.97 2ww0 s PHE 708 Ca 0.00 -2.71 -0.09 0.00 0.33 0.00 0.00 56.93 54.46 2ww0 s PHE 708 Cb -0.07 -2.59 0.05 0.00 -1.31 0.00 0.00 43.02 39.10 2ww0 s PHE 708 CO 0.01 -0.92 0.99 0.09 1.83 0.00 0.00 175.22 177.22 2ww0 n ASN 709 N 4.34 -4.46 0.00 6.13 4.13 0.43 -2.28 115.26 123.55 2ww0 n ASN 709 Ca -0.03 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.52 2ww0 n ASN 709 Cb 0.42 -4.30 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 2ww0 n ASN 709 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww0 n GLY 710 N -1.73 2.85 3.77 7.41 0.00 -1.26 -5.01 105.19 111.23 2ww0 n GLY 710 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2ww0 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww0 s ALA 711 N -1.66 3.19 0.26 4.61 0.00 -0.97 -5.00 121.76 122.19 2ww0 s ALA 711 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 2ww0 s ALA 711 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2ww0 s ALA 711 CO 0.00 -0.33 1.11 0.34 0.00 0.00 0.00 175.76 176.88 2ww0 s ASP 712 N -1.23 7.24 -0.37 0.00 2.15 -1.26 -0.13 116.67 123.07 2ww0 s ASP 712 Ca 0.54 2.26 0.01 0.00 0.43 0.00 0.00 52.55 55.80 2ww0 s ASP 712 Cb -0.28 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 39.83 2ww0 s ASP 712 CO 0.35 -0.18 0.14 -2.28 -0.17 0.00 0.00 175.17 173.03 2ww0 s HIS 713 N -1.00 2.28 -1.40 -5.34 5.65 0.27 -4.80 115.29 110.96 2ww0 s HIS 713 Ca 0.46 -2.28 0.24 0.00 0.25 0.00 0.00 55.06 53.73 2ww0 s HIS 713 Cb -0.32 -2.07 0.23 0.00 -1.18 0.00 0.00 32.58 29.24 2ww0 s HIS 713 CO 0.41 -0.86 1.23 0.25 -0.65 0.00 0.00 174.74 175.11 2ww0 n THR 714 N 4.25 0.00 -1.71 0.89 -2.24 -1.26 -4.16 114.28 110.04 2ww0 n THR 714 Ca 0.03 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 2ww0 n THR 714 Cb 0.39 0.73 0.06 0.00 -2.10 0.00 0.00 70.33 69.41 2ww0 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 715 N -2.77 2.57 -0.16 -0.78 3.01 -1.26 -3.64 119.74 116.70 2ww0 s LYS 715 Ca 0.15 1.72 0.10 0.00 -1.01 0.00 0.00 55.97 56.93 2ww0 s LYS 715 Cb 0.18 -1.89 0.58 0.00 -1.01 0.00 0.00 37.83 35.69 2ww0 s LYS 715 CO 0.68 -1.50 1.38 0.09 0.51 0.00 0.00 175.35 176.52 2ww0 n ASN 716 N -2.23 4.32 -3.66 2.83 5.03 -0.44 -4.93 115.26 116.18 2ww0 n ASN 716 Ca 0.13 -2.64 -0.10 0.00 0.87 0.00 0.00 54.58 52.84 2ww0 n ASN 716 Cb 0.50 -0.62 -0.04 0.00 -1.02 0.00 0.00 39.78 38.59 2ww0 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww0 s TYR 717 N -2.22 -0.18 0.17 3.10 1.13 -1.26 0.01 117.35 118.10 2ww0 s TYR 717 Ca 0.39 -0.14 0.11 0.00 -1.41 0.00 0.00 57.07 56.01 2ww0 s TYR 717 Cb 0.29 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 2ww0 s TYR 717 CO 0.12 -0.76 -0.21 -0.51 -2.51 0.00 0.00 175.55 171.67 2ww0 s LEU 718 N -2.82 2.54 -0.11 -3.49 1.43 -0.22 -4.93 118.68 111.08 2ww0 s LEU 718 Ca 0.05 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2ww0 s LEU 718 Cb 0.01 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 2ww0 s LEU 718 CO -0.10 0.14 -0.01 -0.13 0.23 0.00 0.00 176.35 176.49 2ww0 s ARG 719 N -2.49 3.19 0.19 1.70 0.52 -1.26 -1.04 118.95 119.77 2ww0 s ARG 719 Ca 0.20 -0.43 -0.21 0.00 -0.52 0.00 0.00 55.73 54.76 2ww0 s ARG 719 Cb -0.09 -2.84 0.13 0.00 0.52 0.00 0.00 34.95 32.67 2ww0 s ARG 719 CO 0.10 0.57 1.58 1.25 0.02 0.00 0.00 175.30 178.81 2ww0 h HIS 720 N 5.61 -1.03 -0.10 -0.53 -0.00 -0.91 0.15 115.15 118.34 2ww0 h HIS 720 Ca -0.45 0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 59.96 2ww0 h HIS 720 Cb 1.19 0.55 -0.01 0.00 -0.00 0.00 0.00 27.41 29.14 2ww0 h HIS 720 CO 0.60 -0.39 -0.12 0.93 -0.00 0.00 0.00 177.93 178.94 2ww0 h GLU 721 N -0.14 0.16 -0.26 5.26 3.07 -1.96 -1.51 114.58 119.20 2ww0 h GLU 721 Ca 0.25 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.03 2ww0 h GLU 721 Cb 0.56 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2ww0 h GLU 721 CO -0.75 0.29 -0.00 -0.44 -1.40 0.00 0.00 179.01 176.71 2ww0 h ASP 722 N 0.15 0.46 -0.31 1.42 3.32 -1.43 -2.64 116.42 117.39 2ww0 h ASP 722 Ca 0.03 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2ww0 h ASP 722 Cb 0.32 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2ww0 h ASP 722 CO 0.02 0.66 0.17 -0.07 -1.72 0.00 0.00 179.24 178.30 2ww0 h LEU 723 N 0.25 0.39 -2.45 1.55 3.38 -0.81 -2.37 115.31 115.25 2ww0 h LEU 723 Ca 0.07 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2ww0 h LEU 723 Cb 0.42 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ww0 h LEU 723 CO 0.01 0.37 0.05 -0.26 0.09 0.00 0.00 178.44 178.70 2ww0 h PHE 724 N 0.38 0.00 0.00 1.13 -1.00 -1.21 0.13 116.94 116.37 2ww0 h PHE 724 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2ww0 h PHE 724 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 2ww0 h PHE 724 CO -0.03 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.54 2ww0 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.04 -3.44 116.57 115.17 2ww0 h LYS 725 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2ww0 h LYS 725 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2ww0 h LYS 725 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2ww0 n GLY 726 N -0.07 -1.51 0.00 3.86 0.00 0.45 -4.86 105.19 103.07 2ww0 n GLY 726 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2ww0 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 727 N 0.00 0.35 3.14 -0.02 0.00 -0.14 -4.91 105.19 103.60 2ww0 n GLY 727 Ca 0.00 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 2ww0 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww0 s THR 728 N 0.00 1.28 -0.13 2.61 2.01 -1.26 -1.01 115.64 119.14 2ww0 s THR 728 Ca 0.00 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2ww0 s THR 728 Cb 0.00 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2ww0 s THR 728 CO 0.00 0.36 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.53 2ww0 s ILE 729 N -0.33 2.99 -0.15 1.82 1.01 0.15 -0.43 121.20 126.26 2ww0 s ILE 729 Ca 0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2ww0 s ILE 729 Cb -0.07 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2ww0 s ILE 729 CO -0.00 0.53 -0.05 -0.75 0.00 0.00 0.00 174.94 174.66 2ww0 s LYS 730 N 0.35 3.62 -0.21 2.79 2.20 0.48 -0.09 119.74 128.88 2ww0 s LYS 730 Ca -0.11 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 2ww0 s LYS 730 Cb -0.16 -2.86 0.05 0.00 -1.51 0.00 0.00 37.83 33.34 2ww0 s LYS 730 CO 0.06 0.24 -0.08 0.08 -0.36 0.00 0.00 175.35 175.29 2ww0 s VAL 731 N 0.34 1.56 -0.58 4.02 1.01 0.11 -1.29 120.40 125.57 2ww0 s VAL 731 Ca -0.05 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 60.59 2ww0 s VAL 731 Cb -0.14 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2ww0 s VAL 731 CO 0.03 0.05 1.08 -1.81 0.00 0.00 0.00 175.10 174.46 2ww0 s ASP 732 N 1.41 6.36 0.36 3.32 1.01 -0.62 -4.26 116.67 124.25 2ww0 s ASP 732 Ca -0.03 -0.19 -0.20 0.00 0.71 0.00 0.00 52.55 52.84 2ww0 s ASP 732 Cb -0.17 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 2ww0 s ASP 732 CO -0.07 -1.40 0.86 -0.04 0.21 0.00 0.00 175.17 174.73 2ww0 s MET 733 N 4.54 4.20 0.13 8.23 -1.94 -1.26 -0.76 119.30 132.44 2ww0 s MET 733 Ca 0.36 0.97 -0.04 0.00 -1.71 0.00 0.00 55.69 55.27 2ww0 s MET 733 Cb -0.10 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 2ww0 s MET 733 CO 0.21 0.11 0.13 0.45 -0.01 0.00 0.00 175.02 175.91 2ww0 s SER 734 N -2.09 0.23 0.00 3.03 0.15 0.74 -4.82 113.70 110.95 2ww0 s SER 734 Ca 0.56 -1.07 0.23 0.00 0.70 0.00 0.00 55.95 56.38 2ww0 s SER 734 Cb -0.11 0.34 0.42 0.00 -1.71 0.00 0.00 66.02 64.95 2ww0 s SER 734 CO 0.17 -0.77 1.40 -0.46 1.20 0.00 0.00 173.24 174.77 2ww0 n ASN 735 N -0.12 3.25 -4.17 5.45 6.94 -1.26 -1.17 115.26 124.19 2ww0 n ASN 735 Ca -0.07 -1.97 -0.24 0.00 -0.02 0.00 0.00 54.58 52.28 2ww0 n ASN 735 Cb 0.63 -0.20 -0.15 0.00 -2.36 0.00 0.00 39.78 37.71 2ww0 n ASN 735 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ww0 s ARG 736 N -1.60 1.31 0.51 -3.83 3.03 -1.26 -4.94 118.95 112.17 2ww0 s ARG 736 Ca 0.37 -0.67 -0.21 0.00 2.03 0.00 0.00 55.73 57.24 2ww0 s ARG 736 Cb 0.22 -1.30 -0.06 0.00 -1.03 0.00 0.00 34.95 32.78 2ww0 s ARG 736 CO 0.31 0.35 1.19 -1.25 -1.13 0.00 0.00 175.30 174.77 2ww0 s PRO 737 N -0.61 3.49 -0.46 3.89 0.04 -1.26 -4.82 135.00 135.27 2ww0 s PRO 737 Ca 0.06 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 2ww0 s PRO 737 Cb -0.07 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.32 2ww0 s PRO 737 CO -0.00 -0.78 0.36 1.21 0.04 0.00 0.00 177.00 177.83 2ww0 s ASN 738 N -1.42 5.93 0.00 6.66 3.84 -1.26 -4.95 114.94 123.73 2ww0 s ASN 738 Ca 0.68 -1.53 0.13 0.00 0.21 0.00 0.00 52.86 52.35 2ww0 s ASN 738 Cb -0.29 -2.10 0.66 0.00 -0.55 0.00 0.00 41.25 38.96 2ww0 s ASN 738 CO 0.35 -0.65 1.31 0.18 -2.79 0.00 0.00 177.10 175.50 2ww0 n LEU 739 N 5.08 0.00 -0.00 3.21 4.32 -1.26 -3.19 117.00 125.15 2ww0 n LEU 739 Ca -0.11 0.26 0.05 0.00 -0.02 0.00 0.00 56.01 56.19 2ww0 n LEU 739 Cb 0.42 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 41.88 2ww0 n LEU 739 CO 0.45 -0.15 -0.56 0.59 -1.22 0.00 0.00 177.39 176.50 2ww0 n ASN 740 N -1.26 2.26 -4.74 -1.43 3.02 -1.26 -4.90 115.26 106.95 2ww0 n ASN 740 Ca 0.06 -0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 2ww0 n ASN 740 Cb 0.10 1.44 -0.05 0.00 -0.61 0.00 0.00 39.78 40.66 2ww0 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww0 s ARG 741 N -2.67 4.60 -0.75 3.52 3.52 -1.19 -3.96 118.95 122.01 2ww0 s ARG 741 Ca -0.03 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 2ww0 s ARG 741 Cb 0.07 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2ww0 s ARG 741 CO 0.45 0.27 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 2ww0 n GLY 742 N 2.27 0.38 0.01 8.12 0.00 -1.24 -4.74 105.19 109.99 2ww0 n GLY 742 Ca -0.00 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.51 2ww0 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww0 n THR 743 N -3.56 0.00 -1.94 2.61 -2.24 -1.25 -4.54 114.28 103.35 2ww0 n THR 743 Ca -0.09 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 60.92 2ww0 n THR 743 Cb 0.46 0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.87 2ww0 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 744 N -3.21 3.54 0.32 -0.78 1.02 -1.26 -4.84 119.74 114.53 2ww0 s LYS 744 Ca -0.05 2.16 -0.00 0.00 0.02 0.00 0.00 55.97 58.09 2ww0 s LYS 744 Cb 0.12 -2.47 0.53 0.00 -0.52 0.00 0.00 37.83 35.49 2ww0 s LYS 744 CO 0.75 -0.84 1.98 1.49 -0.92 0.00 0.00 175.35 177.81 2ww0 h GLU 745 N 2.00 0.98 0.00 1.68 4.22 -1.99 -0.49 114.58 120.97 2ww0 h GLU 745 Ca -0.50 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.88 2ww0 h GLU 745 Cb 1.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ww0 h GLU 745 CO 0.60 0.65 0.00 -0.85 -2.18 0.00 0.00 179.01 177.22 2ww0 n GLU 746 N -4.43 0.29 0.10 1.92 0.00 -1.26 -2.22 120.64 115.03 2ww0 n GLU 746 Ca 0.08 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.46 2ww0 n GLU 746 Cb 0.05 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.27 2ww0 n GLU 746 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2ww0 h ASP 747 N 0.00 0.00 -4.04 -1.84 3.32 -1.42 -3.47 116.42 108.97 2ww0 h ASP 747 Ca 0.00 -0.08 -0.50 0.00 0.02 0.00 0.00 57.03 56.47 2ww0 h ASP 747 Cb 0.20 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.81 2ww0 h ASP 747 CO 0.00 0.04 0.45 -0.04 -1.72 0.00 0.00 179.24 177.97 2ww0 s MET 748 N -3.14 3.61 0.96 3.56 -1.94 -0.94 -1.33 119.30 120.07 2ww0 s MET 748 Ca 0.08 1.65 -0.14 0.00 -1.71 0.00 0.00 55.69 55.57 2ww0 s MET 748 Cb 0.12 -2.21 0.17 0.00 2.01 0.00 0.00 34.83 34.92 2ww0 s MET 748 CO 0.66 -0.65 1.19 -2.14 -0.01 0.00 0.00 175.02 174.06 2ww0 s PRO 749 N -2.99 0.76 0.42 2.03 0.02 -1.26 -4.89 135.00 129.09 2ww0 s PRO 749 Ca 0.68 0.04 -0.26 0.00 0.02 0.00 0.00 61.00 61.48 2ww0 s PRO 749 Cb -0.25 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 2ww0 s PRO 749 CO 0.29 -2.41 1.32 0.98 -0.33 0.00 0.00 177.00 176.86 2ww0 n TYR 750 N -3.86 2.33 -3.82 6.54 9.36 -1.26 -5.02 117.16 121.43 2ww0 n TYR 750 Ca 0.10 0.48 -0.13 0.00 3.32 0.00 0.00 57.90 61.68 2ww0 n TYR 750 Cb 0.60 -2.41 -0.14 0.00 -0.63 0.00 0.00 39.34 36.76 2ww0 n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2ww0 s SER 751 N -0.49 -0.06 0.21 2.98 0.01 -1.26 -4.68 113.70 110.41 2ww0 s SER 751 Ca 0.60 0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.94 2ww0 s SER 751 Cb -0.49 0.13 0.28 0.00 0.21 0.00 0.00 66.02 66.15 2ww0 s SER 751 CO 0.58 -0.06 1.77 2.19 0.41 0.00 0.00 173.24 178.13 2ww0 h PHE 752 N 6.41 0.52 -0.08 2.43 -0.00 -0.77 -2.92 116.94 122.53 2ww0 h PHE 752 Ca -0.31 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 57.72 2ww0 h PHE 752 Cb 1.18 -0.14 -0.04 0.00 -0.00 0.00 0.00 35.95 36.96 2ww0 h PHE 752 CO 0.42 0.18 -0.12 0.66 -0.00 0.00 0.00 178.31 179.45 2ww0 h SER 753 N 0.52 -0.37 0.00 -0.68 4.64 -1.91 -2.59 113.55 113.16 2ww0 h SER 753 Ca 0.32 0.07 -0.44 0.00 -0.47 0.00 0.00 61.79 61.27 2ww0 h SER 753 Cb 0.33 0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2ww0 h SER 753 CO -0.26 -0.17 2.73 0.29 -0.87 0.00 0.00 176.83 178.55 2ww0 n LYS 754 N -5.26 2.46 0.00 4.77 5.02 -1.10 -5.07 118.16 118.98 2ww0 n LYS 754 Ca -0.04 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 2ww0 n LYS 754 Cb 0.18 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 2ww0 n LYS 754 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27