#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww4 s ARG 2 N 0.00 3.51 0.06 2.12 3.52 -1.26 -4.16 118.95 122.74 2ww4 s ARG 2 Ca 0.00 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 55.09 2ww4 s ARG 2 Cb 0.00 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2ww4 s ARG 2 CO 0.00 -0.06 -0.09 0.95 -0.81 0.00 0.00 175.30 175.29 2ww4 s THR 3 N 1.17 3.46 0.01 4.11 -4.23 -0.75 -4.96 115.64 114.44 2ww4 s THR 3 Ca 0.02 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 2ww4 s THR 3 Cb -0.15 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2ww4 s THR 3 CO 0.00 0.24 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.16 2ww4 s GLN 4 N -1.85 2.56 -0.09 3.99 -0.21 -1.26 -1.35 119.66 121.45 2ww4 s GLN 4 Ca 0.19 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.82 2ww4 s GLN 4 Cb -0.11 -2.51 0.04 0.00 1.00 0.00 0.00 33.01 31.43 2ww4 s GLN 4 CO 0.11 0.60 0.09 -1.58 -2.12 0.00 0.00 175.29 172.39 2ww4 s TRP 5 N -1.02 0.05 0.48 0.91 0.52 -0.08 -4.98 118.94 114.82 2ww4 s TRP 5 Ca 0.18 0.15 -0.24 0.00 0.02 0.00 0.00 56.10 56.21 2ww4 s TRP 5 Cb -0.11 -0.50 -0.07 0.00 -1.15 0.00 0.00 33.47 31.64 2ww4 s TRP 5 CO 0.08 -0.31 1.32 -2.14 0.02 0.00 0.00 176.95 175.93 2ww4 s PRO 6 N 2.19 3.54 -0.50 4.98 0.02 -1.26 -1.55 135.00 142.42 2ww4 s PRO 6 Ca 0.04 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.25 2ww4 s PRO 6 Cb -0.13 -2.47 0.15 0.00 0.02 0.00 0.00 34.50 32.08 2ww4 s PRO 6 CO -0.05 -0.84 0.33 0.45 -0.33 0.00 0.00 177.00 176.56 2ww4 s SER 7 N -0.91 3.27 0.67 2.53 0.15 -0.25 -4.44 113.70 114.72 2ww4 s SER 7 Ca 0.65 -3.06 -0.11 0.00 0.70 0.00 0.00 55.95 54.13 2ww4 s SER 7 Cb -0.38 -0.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 2ww4 s SER 7 CO 0.47 -0.19 1.06 -2.16 1.20 0.00 0.00 173.24 173.61 2ww4 s PRO 8 N -0.18 3.20 0.73 5.44 0.04 -1.26 -0.66 135.00 142.32 2ww4 s PRO 8 Ca 0.24 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 2ww4 s PRO 8 Cb -0.11 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2ww4 s PRO 8 CO -0.10 -0.84 1.08 0.00 0.04 0.00 0.00 177.00 177.18 2ww4 s ALA 9 N -3.21 2.64 0.25 8.56 0.00 -0.37 -4.77 121.76 124.86 2ww4 s ALA 9 Ca 0.57 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.42 2ww4 s ALA 9 Cb -0.12 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2ww4 s ALA 9 CO 0.53 -1.32 -0.11 -1.59 0.00 0.00 0.00 175.76 173.28 2ww4 s LYS 10 N -5.21 1.48 0.05 0.00 0.00 -0.33 -1.08 119.74 114.65 2ww4 s LYS 10 Ca 0.59 -1.71 0.08 0.00 0.00 0.00 0.00 55.97 54.93 2ww4 s LYS 10 Cb -0.13 -1.23 -0.03 0.00 0.00 0.00 0.00 37.83 36.45 2ww4 s LYS 10 CO 0.54 0.13 -0.22 -0.51 0.00 0.00 0.00 175.35 175.29 2ww4 s LEU 11 N -3.40 2.17 -0.59 2.77 1.43 -0.18 -4.39 118.68 116.50 2ww4 s LEU 11 Ca 0.27 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.59 2ww4 s LEU 11 Cb 0.01 -1.03 0.05 0.00 0.03 0.00 0.00 46.19 45.25 2ww4 s LEU 11 CO 0.10 0.17 0.94 0.20 0.23 0.00 0.00 176.35 178.00 2ww4 s ASN 12 N -1.22 6.28 0.36 2.29 -0.87 -1.26 -2.07 114.94 118.44 2ww4 s ASN 12 Ca 0.08 -0.57 0.08 0.00 -1.57 0.00 0.00 52.86 50.88 2ww4 s ASN 12 Cb -0.09 -2.43 0.68 0.00 -0.02 0.00 0.00 41.25 39.39 2ww4 s ASN 12 CO 0.02 -1.29 1.86 -0.07 -2.57 0.00 0.00 177.10 175.05 2ww4 h LEU 13 N 11.07 0.29 -8.09 0.60 -0.00 -0.61 -3.44 115.31 115.14 2ww4 h LEU 13 Ca -0.27 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.88 57.42 2ww4 h LEU 13 Cb 1.07 -0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 41.52 2ww4 h LEU 13 CO 1.11 0.47 -0.48 0.72 -0.00 0.00 0.00 178.44 180.27 2ww4 s PHE 14 N -4.67 0.43 -0.27 1.13 -0.12 -1.25 -4.43 117.98 108.81 2ww4 s PHE 14 Ca -0.06 -0.85 -0.04 0.00 -0.05 0.00 0.00 56.93 55.92 2ww4 s PHE 14 Cb 0.15 -0.21 0.15 0.00 -0.63 0.00 0.00 43.02 42.48 2ww4 s PHE 14 CO 0.75 -0.55 0.52 -1.17 -0.05 0.00 0.00 175.22 174.72 2ww4 s LEU 15 N -2.94 -1.02 -0.08 -1.99 0.20 -0.65 -2.19 118.68 110.01 2ww4 s LEU 15 Ca 0.12 0.89 0.05 0.00 0.69 0.00 0.00 54.13 55.88 2ww4 s LEU 15 Cb 0.06 1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 47.60 2ww4 s LEU 15 CO -0.06 -0.26 -0.23 -0.31 -0.29 0.00 0.00 176.35 175.20 2ww4 s TYR 16 N 2.75 2.53 -0.41 5.38 2.02 0.58 -0.94 117.35 129.26 2ww4 s TYR 16 Ca 0.09 -0.87 -0.17 0.00 -0.37 0.00 0.00 57.07 55.75 2ww4 s TYR 16 Cb -0.14 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2ww4 s TYR 16 CO -0.18 -0.31 0.45 0.42 -1.57 0.00 0.00 175.55 174.36 2ww4 s ILE 17 N 0.11 5.07 -0.16 2.71 1.01 -1.26 -0.28 121.20 128.40 2ww4 s ILE 17 Ca -0.12 -0.20 0.20 0.00 0.00 0.00 0.00 60.65 60.53 2ww4 s ILE 17 Cb -0.16 -4.02 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 2ww4 s ILE 17 CO 0.06 -0.38 0.82 0.35 0.00 0.00 0.00 174.94 175.79 2ww4 n THR 18 N 5.45 0.74 -3.69 2.92 -2.24 -0.62 -1.48 114.28 115.36 2ww4 n THR 18 Ca -0.07 -0.60 0.02 0.00 -2.27 0.00 0.00 64.05 61.13 2ww4 n THR 18 Cb 0.48 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2ww4 n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww4 s GLY 19 N -4.59 -0.37 -0.02 3.38 0.00 -1.21 -4.39 107.32 100.13 2ww4 s GLY 19 Ca -0.03 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2ww4 s GLY 19 CO 0.82 1.36 0.02 1.62 0.00 0.00 0.00 173.10 176.92 2ww4 s GLN 20 N -2.27 0.08 0.75 2.90 0.74 -1.26 -1.19 119.66 119.41 2ww4 s GLN 20 Ca 0.18 0.14 -0.10 0.00 0.05 0.00 0.00 55.36 55.63 2ww4 s GLN 20 Cb 0.04 -0.32 0.06 0.00 1.10 0.00 0.00 33.01 33.90 2ww4 s GLN 20 CO -0.04 -0.15 1.10 1.03 -0.55 0.00 0.00 175.29 176.69 2ww4 s ARG 21 N 1.01 2.17 0.44 1.67 0.52 -0.11 -4.93 118.95 119.72 2ww4 s ARG 21 Ca -0.09 0.01 0.10 0.00 -0.52 0.00 0.00 55.73 55.23 2ww4 s ARG 21 Cb -0.13 -2.04 0.97 0.00 0.52 0.00 0.00 34.95 34.27 2ww4 s ARG 21 CO -0.02 -1.39 2.07 0.00 0.02 0.00 0.00 175.30 175.98 2ww4 h ALA 22 N -0.83 1.77 0.00 2.13 0.00 -2.02 -1.14 119.26 119.18 2ww4 h ALA 22 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ww4 h ALA 22 Cb 1.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ww4 h ALA 22 CO 0.64 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 2ww4 n ASP 23 N -4.47 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 111.70 2ww4 n ASP 23 Ca 0.01 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 2ww4 n ASP 23 Cb 0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2ww4 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ww4 n GLY 24 N 0.64 0.73 3.73 6.12 0.00 -0.43 -5.06 105.19 110.92 2ww4 n GLY 24 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2ww4 n GLY 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ww4 s TYR 25 N -2.20 3.42 -0.14 1.61 6.14 -1.26 -4.72 117.35 120.21 2ww4 s TYR 25 Ca 0.00 1.36 -0.14 0.00 0.64 0.00 0.00 57.07 58.93 2ww4 s TYR 25 Cb 0.00 -3.44 -0.05 0.00 0.42 0.00 0.00 41.96 38.89 2ww4 s TYR 25 CO 0.00 -1.29 0.31 -1.01 0.64 0.00 0.00 175.55 174.21 2ww4 s HIS 26 N 0.35 3.50 0.10 4.97 3.76 -1.26 -0.94 115.29 125.78 2ww4 s HIS 26 Ca 0.55 0.66 -0.15 0.00 -0.15 0.00 0.00 55.06 55.97 2ww4 s HIS 26 Cb -0.32 -2.33 -0.07 0.00 1.11 0.00 0.00 32.58 30.97 2ww4 s HIS 26 CO 0.34 0.30 0.52 0.95 -0.85 0.00 0.00 174.74 176.00 2ww4 s THR 27 N 0.24 4.87 0.14 1.30 -4.23 -0.34 -4.98 115.64 112.64 2ww4 s THR 27 Ca 0.18 0.89 0.06 0.00 -1.18 0.00 0.00 61.69 61.64 2ww4 s THR 27 Cb -0.13 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 2ww4 s THR 27 CO 0.05 0.36 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.61 2ww4 s LEU 28 N -1.64 2.47 -0.16 4.79 1.43 -1.26 -1.59 118.68 122.72 2ww4 s LEU 28 Ca 0.33 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2ww4 s LEU 28 Cb -0.16 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.58 2ww4 s LEU 28 CO 0.18 -0.21 -0.15 -1.10 0.23 0.00 0.00 176.35 175.31 2ww4 s GLN 29 N -3.17 2.38 0.00 1.70 -0.21 0.62 -4.33 119.66 116.65 2ww4 s GLN 29 Ca 0.14 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.75 2ww4 s GLN 29 Cb -0.02 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.74 2ww4 s GLN 29 CO 0.03 -0.27 0.18 -0.08 -2.12 0.00 0.00 175.29 173.03 2ww4 s THR 30 N 1.43 0.08 -0.22 -0.19 -1.32 -0.67 -0.31 115.64 114.44 2ww4 s THR 30 Ca 0.04 -0.67 -0.05 0.00 -1.21 0.00 0.00 61.69 59.81 2ww4 s THR 30 Cb -0.14 -0.51 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 2ww4 s THR 30 CO -0.11 -0.37 -0.02 -0.22 -2.21 0.00 0.00 174.62 171.70 2ww4 s LEU 31 N -1.44 3.03 -0.11 9.08 2.96 -0.93 0.17 118.68 131.44 2ww4 s LEU 31 Ca -0.14 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 2ww4 s LEU 31 Cb -0.07 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2ww4 s LEU 31 CO 0.02 -0.02 0.21 -0.36 -1.32 0.00 0.00 176.35 174.88 2ww4 s PHE 32 N 1.48 3.58 0.05 5.38 0.08 -0.00 0.20 117.98 128.74 2ww4 s PHE 32 Ca 0.06 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.74 2ww4 s PHE 32 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2ww4 s PHE 32 CO -0.01 0.59 -0.11 -1.14 -0.10 0.00 0.00 175.22 174.44 2ww4 s GLN 33 N -0.63 0.69 0.56 0.44 0.74 -0.88 -2.10 119.66 118.49 2ww4 s GLN 33 Ca 0.16 -0.78 -0.08 0.00 0.05 0.00 0.00 55.36 54.71 2ww4 s GLN 33 Cb -0.13 -0.60 -0.03 0.00 1.10 0.00 0.00 33.01 33.35 2ww4 s GLN 33 CO 0.05 0.13 0.91 -0.06 -0.55 0.00 0.00 175.29 175.78 2ww4 s PHE 34 N -1.15 3.52 -0.05 1.67 0.08 -0.95 -1.01 117.98 120.10 2ww4 s PHE 34 Ca -0.04 0.97 -0.03 0.00 0.12 0.00 0.00 56.93 57.95 2ww4 s PHE 34 Cb -0.09 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2ww4 s PHE 34 CO 0.01 -0.58 0.12 -0.51 -0.10 0.00 0.00 175.22 174.16 2ww4 s LEU 35 N -4.98 4.15 -1.50 -0.37 1.43 -0.24 -1.19 118.68 115.98 2ww4 s LEU 35 Ca 0.52 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.80 2ww4 s LEU 35 Cb -0.11 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2ww4 s LEU 35 CO 0.49 0.32 2.48 -0.67 0.23 0.00 0.00 176.35 179.20 2ww4 n ASP 36 N 1.45 6.09 -3.64 2.29 4.64 0.40 -4.14 116.55 123.63 2ww4 n ASP 36 Ca -0.15 -2.78 -0.05 0.00 -1.38 0.00 0.00 54.79 50.43 2ww4 n ASP 36 Cb 0.53 -1.59 -0.07 0.00 -1.04 0.00 0.00 41.12 38.96 2ww4 n ASP 36 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 2ww4 s TYR 37 N 2.27 -0.25 -4.59 -0.67 5.04 -1.26 -4.69 117.35 113.19 2ww4 s TYR 37 Ca 0.55 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 2ww4 s TYR 37 Cb 0.15 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.86 2ww4 s TYR 37 CO -0.07 -0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 2ww4 n GLY 38 N 2.07 -0.52 3.93 8.97 0.00 -1.26 -1.24 105.19 117.14 2ww4 n GLY 38 Ca -0.12 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2ww4 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww4 s ASP 39 N -4.00 5.97 -0.07 1.61 1.01 0.17 -4.50 116.67 116.87 2ww4 s ASP 39 Ca 0.00 0.59 0.03 0.00 0.71 0.00 0.00 52.55 53.87 2ww4 s ASP 39 Cb 0.00 -1.85 0.01 0.00 1.01 0.00 0.00 42.92 42.09 2ww4 s ASP 39 CO 0.00 -0.68 -0.14 -0.89 0.21 0.00 0.00 175.17 173.67 2ww4 s THR 40 N -2.66 1.23 -0.20 -1.27 2.01 -0.84 -1.09 115.64 112.82 2ww4 s THR 40 Ca 0.48 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 2ww4 s THR 40 Cb -0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2ww4 s THR 40 CO 0.41 0.38 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.01 2ww4 s ILE 41 N 0.59 3.17 -0.13 1.82 1.01 -0.60 -0.78 121.20 126.28 2ww4 s ILE 41 Ca -0.14 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2ww4 s ILE 41 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2ww4 s ILE 41 CO 0.04 0.46 0.06 -0.44 0.00 0.00 0.00 174.94 175.06 2ww4 s SER 42 N 1.25 5.72 -0.05 3.58 0.01 0.71 -0.90 113.70 124.02 2ww4 s SER 42 Ca 0.03 0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.54 2ww4 s SER 42 Cb -0.14 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2ww4 s SER 42 CO -0.03 0.31 -0.15 -0.63 0.41 0.00 0.00 173.24 173.16 2ww4 s ILE 43 N -0.47 1.27 -0.10 1.44 1.01 -0.46 -0.65 121.20 123.24 2ww4 s ILE 43 Ca 0.10 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2ww4 s ILE 43 Cb -0.12 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.26 2ww4 s ILE 43 CO 0.02 0.37 -0.17 -1.61 0.00 0.00 0.00 174.94 173.55 2ww4 s GLU 44 N 0.19 2.39 0.44 2.79 2.02 -0.38 -1.82 118.70 124.33 2ww4 s GLU 44 Ca -0.06 -0.64 -0.23 0.00 0.02 0.00 0.00 54.97 54.06 2ww4 s GLU 44 Cb -0.12 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.10 2ww4 s GLU 44 CO 0.02 0.03 1.12 -0.51 0.02 0.00 0.00 175.26 175.94 2ww4 s LEU 45 N 0.73 4.05 0.23 1.80 1.43 -1.26 0.20 118.68 125.85 2ww4 s LEU 45 Ca -0.12 2.20 0.11 0.00 -1.03 0.00 0.00 54.13 55.29 2ww4 s LEU 45 Cb -0.16 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2ww4 s LEU 45 CO 0.02 -0.76 -0.15 -0.13 0.23 0.00 0.00 176.35 175.56 2ww4 s ARG 46 N -2.64 1.84 -0.02 1.70 0.52 -0.72 -4.79 118.95 114.85 2ww4 s ARG 46 Ca 0.62 -1.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.37 2ww4 s ARG 46 Cb -0.26 -1.96 0.11 0.00 0.52 0.00 0.00 34.95 33.36 2ww4 s ARG 46 CO 0.32 0.38 1.09 -0.40 0.02 0.00 0.00 175.30 176.71 2ww4 n ASP 47 N -0.23 2.32 -0.82 0.23 5.75 -1.25 -2.23 116.55 120.32 2ww4 n ASP 47 Ca -0.09 -2.11 0.08 0.00 -0.01 0.00 0.00 54.79 52.65 2ww4 n ASP 47 Cb 0.57 -0.11 0.18 0.00 -1.03 0.00 0.00 41.12 40.73 2ww4 n ASP 47 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2ww4 n ASP 48 N -0.32 3.04 0.00 -1.12 5.68 -1.10 -4.44 116.55 118.28 2ww4 n ASP 48 Ca 0.05 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2ww4 n ASP 48 Cb 0.34 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 2ww4 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww4 n GLY 49 N 0.90 0.94 3.83 6.12 0.00 0.07 -4.94 105.19 112.10 2ww4 n GLY 49 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2ww4 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww4 s ASP 50 N -3.01 6.74 -0.18 1.61 2.15 -1.26 -4.74 116.67 117.99 2ww4 s ASP 50 Ca 0.00 1.62 0.01 0.00 0.43 0.00 0.00 52.55 54.61 2ww4 s ASP 50 Cb 0.00 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2ww4 s ASP 50 CO 0.00 -0.50 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.69 2ww4 s ILE 51 N -2.45 1.94 -0.10 4.11 -1.09 -1.26 -1.29 121.20 121.06 2ww4 s ILE 51 Ca 0.60 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 2ww4 s ILE 51 Cb -0.10 -1.78 0.01 0.00 -1.58 0.00 0.00 42.46 39.01 2ww4 s ILE 51 CO 0.24 0.48 -0.17 -0.13 -1.23 0.00 0.00 174.94 174.14 2ww4 s ARG 52 N 1.33 2.30 -0.43 2.79 0.52 -0.57 -5.00 118.95 119.90 2ww4 s ARG 52 Ca 0.04 -0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 54.44 2ww4 s ARG 52 Cb -0.13 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.49 2ww4 s ARG 52 CO -0.12 0.02 0.65 -1.17 0.02 0.00 0.00 175.30 174.71 2ww4 s LEU 53 N 0.73 4.45 0.29 2.53 2.96 -1.26 -0.32 118.68 128.05 2ww4 s LEU 53 Ca -0.12 -0.27 0.25 0.00 -0.22 0.00 0.00 54.13 53.77 2ww4 s LEU 53 Cb -0.16 -2.75 0.58 0.00 0.50 0.00 0.00 46.19 44.36 2ww4 s LEU 53 CO 0.03 -0.77 1.66 -0.07 -1.32 0.00 0.00 176.35 175.88 2ww4 h LEU 54 N 9.70 0.00 -7.86 -0.68 3.38 -1.13 -3.42 115.31 115.30 2ww4 h LEU 54 Ca -0.25 -0.01 -0.68 0.00 0.09 0.00 0.00 57.88 57.02 2ww4 h LEU 54 Cb 1.10 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.49 2ww4 h LEU 54 CO 0.89 0.01 -0.66 0.42 0.09 0.00 0.00 178.44 179.19 2ww4 s THR 55 N -3.15 2.83 0.45 0.22 -4.23 -1.26 -5.04 115.64 105.45 2ww4 s THR 55 Ca 0.09 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 2ww4 s THR 55 Cb 0.10 -2.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 2ww4 s THR 55 CO 0.64 -0.43 1.33 -2.84 -0.54 0.00 0.00 174.62 172.78 2ww4 s PRO 56 N 1.11 3.72 -0.17 3.99 0.02 -1.26 -4.67 135.00 137.73 2ww4 s PRO 56 Ca 0.03 2.20 -0.06 0.00 0.02 0.00 0.00 61.00 63.19 2ww4 s PRO 56 Cb -0.21 -2.60 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 2ww4 s PRO 56 CO -0.04 -0.71 0.04 0.08 -0.33 0.00 0.00 177.00 176.03 2ww4 s VAL 57 N -1.28 4.58 -0.49 3.83 1.01 -1.26 -5.01 120.40 121.78 2ww4 s VAL 57 Ca 0.61 -0.11 -0.43 0.00 0.00 0.00 0.00 61.98 62.05 2ww4 s VAL 57 Cb -0.39 -3.04 -0.19 0.00 0.00 0.00 0.00 36.38 32.76 2ww4 s VAL 57 CO 0.49 0.48 1.98 1.21 0.00 0.00 0.00 175.10 179.26 2ww4 n GLU 58 N 3.40 0.00 -1.00 2.72 2.13 -1.26 -0.38 120.64 126.26 2ww4 n GLU 58 Ca -0.17 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.65 2ww4 n GLU 58 Cb 0.52 -1.46 -0.00 0.00 0.27 0.00 0.00 31.44 30.78 2ww4 n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ww4 n GLY 59 N 6.65 0.48 3.10 8.31 0.00 -1.26 -5.02 105.19 117.45 2ww4 n GLY 59 Ca 0.49 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 2ww4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww4 s VAL 60 N -1.96 1.83 0.71 1.61 1.01 0.49 -5.12 120.40 118.96 2ww4 s VAL 60 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 2ww4 s VAL 60 Cb 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2ww4 s VAL 60 CO 0.00 0.50 1.15 -1.61 0.00 0.00 0.00 175.10 175.14 2ww4 s GLU 61 N 1.11 2.43 0.15 2.72 0.41 -1.26 -4.29 118.70 119.97 2ww4 s GLU 61 Ca -0.01 1.52 -0.25 0.00 -0.41 0.00 0.00 54.97 55.82 2ww4 s GLU 61 Cb -0.14 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.33 2ww4 s GLU 61 CO -0.06 -1.56 1.59 1.25 -0.49 0.00 0.00 175.26 175.98 2ww4 h HIS 62 N -0.26 -1.07 0.00 1.61 6.17 -1.96 -0.69 115.15 118.96 2ww4 h HIS 62 Ca -0.47 0.06 0.00 0.00 0.71 0.00 0.00 60.37 60.67 2ww4 h HIS 62 Cb 1.26 0.52 0.00 0.00 2.52 0.00 0.00 27.41 31.71 2ww4 h HIS 62 CO 0.52 -0.42 -0.14 0.39 0.71 0.00 0.00 177.93 178.99 2ww4 n GLU 63 N -5.42 0.00 0.00 5.26 -0.58 -1.26 -2.39 120.64 116.25 2ww4 n GLU 63 Ca -0.01 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2ww4 n GLU 63 Cb 0.35 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.87 2ww4 n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ww4 n ASP 64 N -1.51 0.76 -4.72 1.62 8.00 -0.74 -4.56 116.55 115.40 2ww4 n ASP 64 Ca 0.07 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.57 2ww4 n ASP 64 Cb 0.34 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 2ww4 n ASP 64 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2ww4 s ASN 65 N -2.92 6.78 0.63 -2.24 3.84 -0.34 -4.87 114.94 115.82 2ww4 s ASN 65 Ca 0.12 2.41 0.39 0.00 0.21 0.00 0.00 52.86 55.99 2ww4 s ASN 65 Cb 0.17 -2.59 2.14 0.00 -0.55 0.00 0.00 41.25 40.42 2ww4 s ASN 65 CO 0.72 -0.67 2.30 -0.07 -2.79 0.00 0.00 177.10 176.58 2ww4 h LEU 66 N 6.52 0.00 0.06 3.21 3.38 -1.90 0.12 115.31 126.70 2ww4 h LEU 66 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ww4 h LEU 66 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2ww4 h LEU 66 CO 0.86 0.01 -0.03 0.40 0.09 0.00 0.00 178.44 179.77 2ww4 h ILE 67 N 0.00 1.11 -0.43 1.22 2.04 -1.90 -1.87 117.51 117.68 2ww4 h ILE 67 Ca -0.00 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.13 2ww4 h ILE 67 Cb 0.06 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2ww4 h ILE 67 CO 0.00 0.15 -0.21 0.58 0.00 0.00 0.00 178.15 178.67 2ww4 h VAL 68 N -0.36 1.27 -0.69 1.67 2.07 -1.55 -2.02 116.25 116.65 2ww4 h VAL 68 Ca -0.01 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.16 2ww4 h VAL 68 Cb 0.32 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2ww4 h VAL 68 CO 0.01 0.46 0.46 0.03 0.02 0.00 0.00 177.57 178.55 2ww4 h ARG 69 N 0.73 0.90 -0.33 1.57 3.08 -1.06 -0.74 114.38 118.53 2ww4 h ARG 69 Ca 0.10 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2ww4 h ARG 69 Cb 0.78 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2ww4 h ARG 69 CO 0.06 0.60 -0.26 0.00 -1.07 0.00 0.00 179.97 179.30 2ww4 h ALA 70 N 1.26 0.48 -0.38 0.04 0.00 -1.25 -1.59 119.26 117.82 2ww4 h ALA 70 Ca 0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ww4 h ALA 70 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2ww4 h ALA 70 CO -0.06 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.83 2ww4 h ALA 71 N 0.75 0.49 0.00 0.00 0.00 -1.06 -2.19 119.26 117.25 2ww4 h ALA 71 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ww4 h ALA 71 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ww4 h ALA 71 CO 0.07 0.08 -0.35 0.00 0.00 0.00 0.00 179.25 179.05 2ww4 h ARG 72 N 0.47 0.00 -0.01 0.00 3.08 -1.09 -2.01 114.38 114.82 2ww4 h ARG 72 Ca 0.13 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 2ww4 h ARG 72 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.22 2ww4 h ARG 72 CO -0.01 0.35 -0.76 1.25 -1.07 0.00 0.00 179.97 179.72 2ww4 h LEU 73 N 0.00 0.69 0.09 3.04 5.85 -1.05 -2.33 115.31 121.60 2ww4 h LEU 73 Ca -0.00 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 57.98 2ww4 h LEU 73 Cb 0.63 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2ww4 h LEU 73 CO 0.04 1.34 -0.11 0.25 -0.34 0.00 0.00 178.44 179.62 2ww4 h LEU 74 N 0.12 -0.30 -0.45 2.25 5.85 -1.35 -1.13 115.31 120.29 2ww4 h LEU 74 Ca -0.09 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2ww4 h LEU 74 Cb 1.45 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 2ww4 h LEU 74 CO 0.15 -0.17 0.10 -0.03 -0.34 0.00 0.00 178.44 178.15 2ww4 h MET 75 N -0.24 0.23 -0.75 1.25 4.05 -1.39 0.29 114.93 118.37 2ww4 h MET 75 Ca 0.01 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2ww4 h MET 75 Cb 0.24 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2ww4 h MET 75 CO -0.05 0.15 0.30 -0.22 0.23 0.00 0.00 176.91 177.33 2ww4 h LYS 76 N 0.24 1.12 -0.13 0.39 3.64 -1.37 -0.66 116.57 119.80 2ww4 h LYS 76 Ca 0.22 -0.20 -0.21 0.00 -1.27 0.00 0.00 60.65 59.19 2ww4 h LYS 76 Cb 0.27 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2ww4 h LYS 76 CO -0.28 0.91 -0.74 1.15 -2.27 0.00 0.00 179.45 178.22 2ww4 h THR 77 N 1.08 1.30 -0.06 1.00 2.02 -0.25 -2.00 112.91 115.99 2ww4 h THR 77 Ca 0.25 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 2ww4 h THR 77 Cb 0.21 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2ww4 h THR 77 CO -0.02 0.61 0.01 0.00 0.37 0.00 0.00 175.52 176.49 2ww4 h ALA 78 N 0.52 0.08 -1.01 6.16 0.00 -0.47 -2.86 119.26 121.69 2ww4 h ALA 78 Ca -0.05 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2ww4 h ALA 78 Cb 1.37 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2ww4 h ALA 78 CO 0.15 -0.27 0.64 0.00 0.00 0.00 0.00 179.25 179.77 2ww4 h ALA 79 N 0.77 1.45 0.00 0.00 0.00 -1.06 0.51 119.26 120.93 2ww4 h ALA 79 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ww4 h ALA 79 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ww4 h ALA 79 CO 0.00 0.35 0.00 -0.44 0.00 0.00 0.00 179.25 179.16 2ww4 h ASP 80 N 1.10 0.00 -0.40 0.00 3.32 -1.38 -2.82 116.42 116.24 2ww4 h ASP 80 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 2ww4 h ASP 80 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2ww4 h ASP 80 CO -0.21 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.77 2ww4 n SER 81 N -2.96 4.53 -2.44 6.45 3.41 -0.89 -4.97 113.62 116.75 2ww4 n SER 81 Ca 0.04 -2.89 -0.20 0.00 -0.26 0.00 0.00 58.87 55.56 2ww4 n SER 81 Cb 0.49 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 2ww4 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww4 n GLY 82 N 0.05 -0.42 0.38 5.00 0.00 -0.59 -4.92 105.19 104.70 2ww4 n GLY 82 Ca 0.23 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.31 2ww4 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww4 n ARG 83 N -3.25 1.36 -4.08 1.61 1.74 0.17 -4.96 116.66 109.25 2ww4 n ARG 83 Ca -0.17 -2.87 -0.32 0.00 -0.77 0.00 0.00 57.85 53.72 2ww4 n ARG 83 Cb 0.64 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.44 2ww4 n ARG 83 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ww4 s LEU 84 N -2.89 2.71 0.50 0.55 2.96 -1.23 -4.07 118.68 117.20 2ww4 s LEU 84 Ca 0.34 -1.01 -0.24 0.00 -0.22 0.00 0.00 54.13 53.01 2ww4 s LEU 84 Cb 0.32 -1.47 -0.07 0.00 0.50 0.00 0.00 46.19 45.48 2ww4 s LEU 84 CO -0.02 -0.10 1.40 -2.84 -1.32 0.00 0.00 176.35 173.46 2ww4 s PRO 85 N 1.23 3.42 0.14 0.98 0.02 -1.26 -4.87 135.00 134.65 2ww4 s PRO 85 Ca -0.02 2.34 -0.35 0.00 0.02 0.00 0.00 61.00 62.99 2ww4 s PRO 85 Cb -0.16 -2.47 -0.15 0.00 0.02 0.00 0.00 34.50 31.73 2ww4 s PRO 85 CO -0.09 -1.00 1.38 2.41 -0.33 0.00 0.00 177.00 179.37 2ww4 n THR 86 N -0.59 0.26 -0.28 0.99 -1.04 -1.26 -1.95 114.28 110.40 2ww4 n THR 86 Ca 0.08 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2ww4 n THR 86 Cb 0.43 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2ww4 n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ww4 n GLY 87 N 2.62 1.52 3.67 3.41 0.00 -1.26 -5.00 105.19 110.15 2ww4 n GLY 87 Ca 0.17 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.66 2ww4 n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ww4 n SER 88 N 0.00 2.50 -2.49 1.61 7.64 -0.82 -0.76 113.62 121.29 2ww4 n SER 88 Ca 0.00 1.07 -0.09 0.00 1.01 0.00 0.00 58.87 60.86 2ww4 n SER 88 Cb 0.00 -1.23 0.01 0.00 -1.01 0.00 0.00 64.21 61.98 2ww4 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww4 n GLY 89 N 3.72 1.54 3.61 0.23 0.00 -0.94 -4.06 105.19 109.28 2ww4 n GLY 89 Ca 0.23 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 2ww4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww4 s ALA 90 N -2.09 -1.94 -0.12 4.61 0.00 -0.41 -1.76 121.76 120.05 2ww4 s ALA 90 Ca 0.16 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 2ww4 s ALA 90 Cb -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2ww4 s ALA 90 CO 0.12 -0.27 0.25 -0.80 0.00 0.00 0.00 175.76 175.05 2ww4 s ASN 91 N -0.34 6.47 -0.06 0.00 -0.87 0.13 -1.51 114.94 118.77 2ww4 s ASN 91 Ca 0.01 0.55 0.02 0.00 -1.57 0.00 0.00 52.86 51.86 2ww4 s ASN 91 Cb -0.03 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 39.07 2ww4 s ASN 91 CO -0.02 0.26 -0.09 -0.63 -2.57 0.00 0.00 177.10 174.04 2ww4 s ILE 92 N -0.34 0.89 -0.03 0.60 1.01 0.56 -1.25 121.20 122.64 2ww4 s ILE 92 Ca 0.16 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2ww4 s ILE 92 Cb -0.13 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 2ww4 s ILE 92 CO 0.05 0.30 -0.12 -0.44 0.00 0.00 0.00 174.94 174.73 2ww4 s SER 93 N 0.77 1.60 -0.17 3.58 0.01 0.18 -0.41 113.70 119.26 2ww4 s SER 93 Ca -0.13 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 2ww4 s SER 93 Cb -0.15 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 2ww4 s SER 93 CO 0.02 0.11 -0.13 -0.51 0.41 0.00 0.00 173.24 173.14 2ww4 s ILE 94 N 0.11 2.82 -0.74 1.44 2.07 -1.26 -0.21 121.20 125.42 2ww4 s ILE 94 Ca -0.03 -0.71 -0.25 0.00 -1.41 0.00 0.00 60.65 58.26 2ww4 s ILE 94 Cb -0.10 -2.21 0.05 0.00 0.13 0.00 0.00 42.46 40.33 2ww4 s ILE 94 CO 0.01 0.50 1.18 -0.62 -1.91 0.00 0.00 174.94 174.09 2ww4 s ASP 95 N 0.94 6.21 -0.47 4.50 2.15 0.04 -4.92 116.67 125.12 2ww4 s ASP 95 Ca -0.02 -0.80 -0.19 0.00 0.43 0.00 0.00 52.55 51.97 2ww4 s ASP 95 Cb -0.15 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2ww4 s ASP 95 CO -0.01 -1.64 0.59 -0.75 -0.17 0.00 0.00 175.17 173.19 2ww4 s LYS 96 N 4.95 3.16 -0.07 4.34 2.47 -1.26 -1.99 119.74 131.33 2ww4 s LYS 96 Ca 0.31 -0.73 0.16 0.00 -1.56 0.00 0.00 55.97 54.16 2ww4 s LYS 96 Cb -0.10 -4.03 -0.25 0.00 -1.46 0.00 0.00 37.83 31.99 2ww4 s LYS 96 CO 0.10 -1.09 0.27 0.54 0.16 0.00 0.00 175.35 175.33 2ww4 n ARG 97 N 6.07 0.82 -2.58 4.03 1.74 -1.26 -5.02 116.66 120.46 2ww4 n ARG 97 Ca -0.05 -0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 2ww4 n ARG 97 Cb 0.46 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 2ww4 n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ww4 s LEU 98 N -4.56 4.52 1.06 0.55 1.43 -1.26 -5.01 118.68 115.41 2ww4 s LEU 98 Ca -0.07 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 2ww4 s LEU 98 Cb 0.09 -3.72 0.23 0.00 0.03 0.00 0.00 46.19 42.82 2ww4 s LEU 98 CO 0.70 -0.09 1.08 -2.16 0.23 0.00 0.00 176.35 176.11 2ww4 s PRO 99 N -1.54 -0.15 -0.27 1.29 0.04 -1.26 -4.93 135.00 128.18 2ww4 s PRO 99 Ca 0.45 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 2ww4 s PRO 99 Cb -0.28 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2ww4 s PRO 99 CO 0.36 -3.30 0.92 -1.64 0.04 0.00 0.00 177.00 173.37 2ww4 s MET 100 N -4.52 4.13 6.69 4.56 -1.94 -1.26 -4.76 119.30 122.19 2ww4 s MET 100 Ca 0.68 0.99 0.00 0.00 -1.71 0.00 0.00 55.69 55.65 2ww4 s MET 100 Cb -0.24 -3.68 0.00 0.00 2.01 0.00 0.00 34.83 32.92 2ww4 s MET 100 CO 0.62 -0.65 0.00 0.41 -0.01 0.00 0.00 175.02 175.39 2ww4 n GLY 101 N 3.77 1.12 4.09 -0.03 0.00 -1.26 -5.57 105.19 107.31 2ww4 n GLY 101 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2ww4 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww4 n GLY 102 N 0.00 2.06 0.95 -0.02 0.00 -1.22 -3.30 105.19 103.66 2ww4 n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ww4 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww4 n GLY 103 N -1.79 0.74 0.25 -0.02 0.00 -1.11 -1.03 105.19 102.22 2ww4 n GLY 103 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 2ww4 n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ww4 n LEU 104 N 0.00 1.37 -0.63 0.99 4.77 -1.21 -3.74 117.00 118.55 2ww4 n LEU 104 Ca 0.00 -0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 55.42 2ww4 n LEU 104 Cb 0.00 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2ww4 n LEU 104 CO 0.00 0.28 -0.07 0.61 -1.33 0.00 0.00 177.39 176.87 2ww4 n GLY 105 N 1.44 0.32 0.32 -0.72 0.00 -1.26 -1.19 105.19 104.11 2ww4 n GLY 105 Ca 0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 2ww4 n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ww4 h GLY 106 N 0.00 1.19 0.79 -0.02 0.00 -1.86 0.10 103.07 103.27 2ww4 h GLY 106 Ca -0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 2ww4 h GLY 106 CO 0.17 0.47 -0.03 -1.33 0.00 0.00 0.00 176.54 175.83 2ww4 h GLY 107 N 1.13 0.35 0.85 4.60 0.00 -1.92 -0.58 103.07 107.50 2ww4 h GLY 107 Ca 0.30 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2ww4 h GLY 107 CO -0.06 0.26 0.43 1.76 0.00 0.00 0.00 176.54 178.93 2ww4 h SER 108 N 0.05 0.69 -0.23 0.19 0.02 -1.87 -1.85 113.55 110.55 2ww4 h SER 108 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2ww4 h SER 108 Cb 0.44 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2ww4 h SER 108 CO 0.01 0.48 0.11 -1.28 -1.14 0.00 0.00 176.83 175.01 2ww4 h SER 109 N 0.83 0.31 -0.51 3.07 0.87 -0.51 -0.28 113.55 117.33 2ww4 h SER 109 Ca 0.28 -0.14 0.09 0.00 -1.23 0.00 0.00 61.79 60.79 2ww4 h SER 109 Cb 0.04 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 61.85 2ww4 h SER 109 CO -0.12 0.36 0.10 0.78 -0.53 0.00 0.00 176.83 177.42 2ww4 h ASN 110 N 0.24 -0.01 -0.48 6.23 -0.26 -1.01 0.12 115.58 120.41 2ww4 h ASN 110 Ca 0.08 0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.88 2ww4 h ASN 110 Cb 0.14 0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 2ww4 h ASN 110 CO -0.01 0.02 0.17 0.00 -1.06 0.00 0.00 177.43 176.55 2ww4 h ALA 111 N 1.40 0.63 -0.23 -0.83 0.00 -1.04 -1.46 119.26 117.73 2ww4 h ALA 111 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ww4 h ALA 111 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ww4 h ALA 111 CO -0.34 0.26 0.13 0.00 0.00 0.00 0.00 179.25 179.31 2ww4 h ALA 112 N 1.02 0.30 -0.84 0.00 0.00 -0.51 -1.89 119.26 117.33 2ww4 h ALA 112 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ww4 h ALA 112 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2ww4 h ALA 112 CO -0.01 -0.18 0.50 1.15 0.00 0.00 0.00 179.25 180.71 2ww4 h THR 113 N 0.28 1.23 -0.30 0.00 2.02 -0.88 -0.61 112.91 114.66 2ww4 h THR 113 Ca 0.08 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2ww4 h THR 113 Cb 0.04 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2ww4 h THR 113 CO -0.01 0.25 0.10 0.58 0.37 0.00 0.00 175.52 176.80 2ww4 h VAL 114 N 1.16 1.20 -0.12 3.16 2.07 -1.04 0.20 116.25 122.88 2ww4 h VAL 114 Ca 0.30 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2ww4 h VAL 114 Cb -0.04 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2ww4 h VAL 114 CO -0.06 0.21 0.07 -0.07 0.02 0.00 0.00 177.57 177.74 2ww4 h LEU 115 N 0.32 0.15 0.04 2.57 3.38 -0.84 0.72 115.31 121.64 2ww4 h LEU 115 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ww4 h LEU 115 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2ww4 h LEU 115 CO -0.00 0.17 -0.02 0.58 0.09 0.00 0.00 178.44 179.25 2ww4 h VAL 116 N 0.12 1.12 -0.20 1.22 2.07 -1.02 -0.43 116.25 119.13 2ww4 h VAL 116 Ca 0.04 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2ww4 h VAL 116 Cb 0.05 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2ww4 h VAL 116 CO -0.01 0.13 0.13 0.00 0.02 0.00 0.00 177.57 177.84 2ww4 h ALA 117 N 0.69 0.26 -0.02 1.67 0.00 -0.54 -2.35 119.26 118.97 2ww4 h ALA 117 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2ww4 h ALA 117 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ww4 h ALA 117 CO 0.01 -0.25 -0.67 -0.07 0.00 0.00 0.00 179.25 178.26 2ww4 h LEU 118 N 0.26 0.11 -0.57 0.00 3.38 -0.81 0.42 115.31 118.11 2ww4 h LEU 118 Ca 0.07 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2ww4 h LEU 118 Cb -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2ww4 h LEU 118 CO -0.02 0.75 0.31 -1.13 0.09 0.00 0.00 178.44 178.45 2ww4 h ASN 119 N 0.07 0.47 0.04 -0.43 -1.24 -0.99 -0.01 115.58 113.50 2ww4 h ASN 119 Ca -0.01 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 2ww4 h ASN 119 Cb 1.20 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.17 2ww4 h ASN 119 CO 0.09 0.32 -0.02 -0.74 -1.29 0.00 0.00 177.43 175.80 2ww4 h HIS 120 N 0.60 -0.05 -0.29 0.67 2.76 -1.05 -2.48 115.15 115.31 2ww4 h HIS 120 Ca 0.25 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.23 2ww4 h HIS 120 Cb 0.12 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 2ww4 h HIS 120 CO -0.08 0.28 -0.53 -0.07 -1.30 0.00 0.00 177.93 176.22 2ww4 h LEU 121 N -0.38 0.94 -0.01 0.26 3.38 -0.77 -3.01 115.31 115.72 2ww4 h LEU 121 Ca -0.01 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2ww4 h LEU 121 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ww4 h LEU 121 CO 0.01 1.29 -0.05 0.79 0.09 0.00 0.00 178.44 180.56 2ww4 n TRP 122 N -4.00 0.00 -2.78 1.13 8.01 -0.03 -4.94 117.44 114.82 2ww4 n TRP 122 Ca -0.04 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.99 2ww4 n TRP 122 Cb 0.62 -0.45 0.02 0.00 -2.01 0.00 0.00 31.31 29.50 2ww4 n TRP 122 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2ww4 n GLN 123 N -1.47 -3.40 0.05 -0.99 6.02 -1.03 -4.44 117.38 112.12 2ww4 n GLN 123 Ca 0.08 0.64 -0.03 0.00 -0.01 0.00 0.00 57.00 57.68 2ww4 n GLN 123 Cb 0.33 -4.93 0.21 0.00 1.02 0.00 0.00 30.24 26.87 2ww4 n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ww4 n GLY 125 N -0.30 0.52 3.77 0.00 0.00 -1.26 -4.86 105.19 103.06 2ww4 n GLY 125 Ca -0.01 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2ww4 n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ww4 s LEU 126 N -2.68 4.08 0.88 0.99 1.02 -1.26 -5.01 118.68 116.70 2ww4 s LEU 126 Ca 0.00 2.51 -0.12 0.00 0.02 0.00 0.00 54.13 56.54 2ww4 s LEU 126 Cb 0.00 -4.10 0.12 0.00 0.02 0.00 0.00 46.19 42.23 2ww4 s LEU 126 CO 0.00 -0.97 1.10 -0.94 0.02 0.00 0.00 176.35 175.55 2ww4 s SER 127 N -1.05 3.63 0.39 2.29 1.04 -1.26 -4.86 113.70 113.89 2ww4 s SER 127 Ca 0.62 1.37 0.06 0.00 0.48 0.00 0.00 55.95 58.48 2ww4 s SER 127 Cb -0.34 -2.06 0.80 0.00 0.10 0.00 0.00 66.02 64.52 2ww4 s SER 127 CO 0.42 -2.53 2.05 0.24 0.98 0.00 0.00 173.24 174.40 2ww4 h MET 128 N -1.47 0.62 -0.48 4.02 2.86 -1.96 -1.44 114.93 117.07 2ww4 h MET 128 Ca -0.49 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.08 2ww4 h MET 128 Cb 1.29 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2ww4 h MET 128 CO 0.57 0.41 0.21 -0.44 1.06 0.00 0.00 176.91 178.72 2ww4 h ASP 129 N 0.64 0.65 -0.38 1.22 3.32 -1.98 0.45 116.42 120.34 2ww4 h ASP 129 Ca 0.17 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2ww4 h ASP 129 Cb -0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2ww4 h ASP 129 CO -0.04 0.62 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.57 2ww4 h GLU 130 N 0.64 0.81 -0.66 3.56 5.08 -1.87 -0.29 114.58 121.86 2ww4 h GLU 130 Ca 0.16 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2ww4 h GLU 130 Cb 0.16 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2ww4 h GLU 130 CO -0.02 0.99 0.12 -0.07 -1.00 0.00 0.00 179.01 179.03 2ww4 h LEU 131 N 0.60 1.04 -0.78 1.33 3.38 -1.16 -1.21 115.31 118.51 2ww4 h LEU 131 Ca 0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2ww4 h LEU 131 Cb 0.76 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2ww4 h LEU 131 CO 0.06 1.03 0.20 0.00 0.09 0.00 0.00 178.44 179.82 2ww4 h ALA 132 N 1.05 1.00 0.64 1.53 0.00 -0.78 -0.75 119.26 121.95 2ww4 h ALA 132 Ca 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ww4 h ALA 132 Cb 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ww4 h ALA 132 CO 0.01 0.66 -0.41 0.93 0.00 0.00 0.00 179.25 180.44 2ww4 h GLU 133 N 1.07 -0.95 -0.59 0.00 5.08 -0.80 -2.05 114.58 116.33 2ww4 h GLU 133 Ca 0.23 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.76 2ww4 h GLU 133 Cb 0.33 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 2ww4 h GLU 133 CO -0.00 -0.64 -0.34 0.52 -1.00 0.00 0.00 179.01 177.55 2ww4 h MET 134 N -0.99 -0.16 -0.67 2.33 2.86 -1.26 -2.54 114.93 114.50 2ww4 h MET 134 Ca -0.09 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2ww4 h MET 134 Cb 0.80 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 2ww4 h MET 134 CO 0.08 -0.10 0.44 0.78 1.06 0.00 0.00 176.91 179.16 2ww4 h GLY 135 N -0.16 0.88 2.00 8.32 0.00 -1.08 -1.74 103.07 111.28 2ww4 h GLY 135 Ca 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2ww4 h GLY 135 CO -0.68 0.22 -0.18 -2.00 0.00 0.00 0.00 176.54 173.90 2ww4 h LEU 136 N 0.71 0.00 -1.99 3.11 5.85 -0.92 0.36 115.31 122.43 2ww4 h LEU 136 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2ww4 h LEU 136 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ww4 h LEU 136 CO -0.09 0.18 0.00 0.71 -0.34 0.00 0.00 178.44 178.90 2ww4 h THR 137 N 0.00 0.00 0.01 1.05 1.35 -1.32 -3.31 112.91 110.69 2ww4 h THR 137 Ca -0.00 -0.32 -0.38 0.00 -0.55 0.00 0.00 66.41 65.15 2ww4 h THR 137 Cb 0.43 1.31 -0.06 0.00 -1.73 0.00 0.00 68.15 68.10 2ww4 h THR 137 CO 0.02 0.00 -2.40 0.18 -0.25 0.00 0.00 175.52 173.07 2ww4 n LEU 138 N -3.07 2.39 -3.69 3.87 4.77 0.05 -5.02 117.00 116.31 2ww4 n LEU 138 Ca -0.01 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.76 2ww4 n LEU 138 Cb 0.22 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 2ww4 n LEU 138 CO 0.24 0.84 0.20 -0.83 -1.33 0.00 0.00 177.39 176.51 2ww4 s GLY 139 N -6.22 -0.37 0.45 -0.72 0.00 -0.79 -5.00 107.32 94.67 2ww4 s GLY 139 Ca -0.29 1.27 0.19 0.00 0.00 0.00 0.00 44.72 45.88 2ww4 s GLY 139 CO 0.66 1.05 1.93 0.00 0.00 0.00 0.00 173.10 176.74 2ww4 h ALA 140 N 4.87 2.24 -0.45 3.20 0.00 -1.86 -2.68 119.26 124.58 2ww4 h ALA 140 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ww4 h ALA 140 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ww4 h ALA 140 CO 0.24 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 2ww4 n ASP 141 N -4.45 3.25 -0.25 0.00 8.00 -1.26 -4.65 116.55 117.19 2ww4 n ASP 141 Ca 0.14 -1.95 -0.05 0.00 0.71 0.00 0.00 54.79 53.64 2ww4 n ASP 141 Cb 0.58 -0.30 0.10 0.00 -0.02 0.00 0.00 41.12 41.48 2ww4 n ASP 141 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ww4 h VAL 142 N 3.10 1.25 -0.98 2.53 2.07 -1.73 -3.13 116.25 119.37 2ww4 h VAL 142 Ca 0.00 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.78 2ww4 h VAL 142 Cb 0.83 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 2ww4 h VAL 142 CO 0.00 0.33 0.63 -0.65 0.02 0.00 0.00 177.57 177.90 2ww4 h PRO 143 N 1.08 1.09 -0.73 1.57 0.11 -1.82 -0.29 132.00 133.00 2ww4 h PRO 143 Ca 0.25 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 2ww4 h PRO 143 Cb 0.23 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 2ww4 h PRO 143 CO -0.02 0.72 0.29 -0.24 -0.21 0.00 0.00 178.00 178.54 2ww4 h VAL 144 N 1.12 1.25 -0.38 3.15 3.04 -1.87 -1.35 116.25 121.21 2ww4 h VAL 144 Ca 0.43 -0.78 -0.11 0.00 -1.01 0.00 0.00 66.70 65.23 2ww4 h VAL 144 Cb 0.22 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 29.87 2ww4 h VAL 144 CO -0.18 0.32 -0.20 -0.26 -1.01 0.00 0.00 177.57 176.23 2ww4 h PHE 145 N 1.05 0.93 -0.57 3.17 0.04 -1.38 -0.46 116.94 119.73 2ww4 h PHE 145 Ca 0.24 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2ww4 h PHE 145 Cb 0.21 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2ww4 h PHE 145 CO 0.02 0.99 0.31 0.28 -0.60 0.00 0.00 178.31 179.32 2ww4 h VAL 146 N 0.60 1.19 0.00 -0.55 2.07 -0.79 -3.12 116.25 115.65 2ww4 h VAL 146 Ca 0.08 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2ww4 h VAL 146 Cb 0.76 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2ww4 h VAL 146 CO 0.06 0.20 -0.31 0.03 0.02 0.00 0.00 177.57 177.57 2ww4 h ARG 147 N 0.77 0.00 0.00 1.57 3.08 -1.19 -3.48 114.38 115.13 2ww4 h ARG 147 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2ww4 h ARG 147 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ww4 h ARG 147 CO -0.03 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 2ww4 n GLY 148 N 1.15 0.45 3.07 0.04 0.00 -0.19 -5.03 105.19 104.69 2ww4 n GLY 148 Ca 0.02 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 2ww4 n GLY 148 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ww4 s HIS 149 N -2.00 0.93 0.19 1.61 5.04 -1.26 -1.68 115.29 118.12 2ww4 s HIS 149 Ca 0.00 -0.28 -0.30 0.00 -1.54 0.00 0.00 55.06 52.94 2ww4 s HIS 149 Cb 0.00 -0.57 -0.16 0.00 0.04 0.00 0.00 32.58 31.89 2ww4 s HIS 149 CO 0.00 -0.01 0.79 0.00 -2.34 0.00 0.00 174.74 173.18 2ww4 n ALA 150 N 2.27 -2.04 -3.54 1.58 0.00 0.38 -4.90 120.51 114.26 2ww4 n ALA 150 Ca -0.17 0.45 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 2ww4 n ALA 150 Cb 0.56 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 2ww4 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ww4 s ALA 151 N -0.79 -1.75 -0.21 0.00 0.00 -0.89 -1.55 121.76 116.56 2ww4 s ALA 151 Ca 0.67 1.46 -0.19 0.00 0.00 0.00 0.00 51.96 53.90 2ww4 s ALA 151 Cb -0.90 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2ww4 s ALA 151 CO 0.56 -0.36 0.53 0.12 0.00 0.00 0.00 175.76 176.62 2ww4 s PHE 152 N -0.83 3.35 -0.11 0.00 5.36 0.17 -0.82 117.98 125.09 2ww4 s PHE 152 Ca -0.09 0.76 0.01 0.00 -0.96 0.00 0.00 56.93 56.66 2ww4 s PHE 152 Cb -0.01 -2.70 -0.02 0.00 -0.34 0.00 0.00 43.02 39.95 2ww4 s PHE 152 CO 0.08 -0.15 -0.14 0.00 -1.46 0.00 0.00 175.22 173.54 2ww4 s ALA 153 N 1.82 2.58 0.00 11.12 0.00 0.13 -1.01 121.76 136.40 2ww4 s ALA 153 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2ww4 s ALA 153 Cb -0.15 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2ww4 s ALA 153 CO 0.09 0.31 0.00 -0.85 0.00 0.00 0.00 175.76 175.31 2ww4 n GLU 154 N 3.31 0.00 0.00 0.00 0.28 -0.36 -1.66 120.64 122.22 2ww4 n GLU 154 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 2ww4 n GLU 154 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2ww4 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ww4 n GLY 155 N 0.00 3.11 1.91 -1.84 0.00 -1.26 -1.21 105.19 105.89 2ww4 n GLY 155 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 2ww4 n GLY 155 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ww4 n VAL 156 N 0.00 3.01 -0.19 1.61 0.24 -1.26 -4.41 118.33 117.33 2ww4 n VAL 156 Ca 0.00 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.11 2ww4 n VAL 156 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2ww4 n VAL 156 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ww4 n GLY 157 N -1.14 0.77 0.03 7.63 0.00 -0.35 -4.95 105.19 107.18 2ww4 n GLY 157 Ca 0.52 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.62 2ww4 n GLY 157 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ww4 n GLU 158 N -2.11 0.66 -3.05 1.61 0.00 -1.22 -4.74 120.64 111.79 2ww4 n GLU 158 Ca 0.00 -0.13 -0.44 0.00 0.00 0.00 0.00 57.16 56.59 2ww4 n GLU 158 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 31.44 29.83 2ww4 n GLU 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2ww4 s ILE 159 N -3.38 4.70 -0.17 3.84 1.01 -1.17 -5.01 121.20 121.02 2ww4 s ILE 159 Ca -0.07 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2ww4 s ILE 159 Cb 0.12 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2ww4 s ILE 159 CO 0.88 -1.08 -0.15 -0.76 0.00 0.00 0.00 174.94 173.84 2ww4 s LEU 160 N 3.06 2.44 -0.20 2.97 1.43 -1.26 -1.22 118.68 125.90 2ww4 s LEU 160 Ca 0.17 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2ww4 s LEU 160 Cb -0.20 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2ww4 s LEU 160 CO 0.10 0.05 -0.07 -0.89 0.23 0.00 0.00 176.35 175.77 2ww4 s THR 161 N 1.04 3.27 0.43 5.49 2.01 -0.18 -4.94 115.64 122.77 2ww4 s THR 161 Ca -0.01 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.20 2ww4 s THR 161 Cb -0.15 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 2ww4 s THR 161 CO -0.04 0.45 1.34 -2.65 -0.69 0.00 0.00 174.62 173.04 2ww4 n PRO 162 N 4.46 2.07 -3.94 4.92 -0.02 -1.26 -0.66 135.00 140.58 2ww4 n PRO 162 Ca -0.18 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 2ww4 n PRO 162 Cb 0.51 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 2ww4 n PRO 162 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ww4 s VAL 163 N -1.19 0.17 -0.56 -1.45 1.01 -0.60 -4.80 120.40 112.98 2ww4 s VAL 163 Ca 0.61 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2ww4 s VAL 163 Cb -0.48 -1.32 0.24 0.00 0.00 0.00 0.00 36.38 34.82 2ww4 s VAL 163 CO 0.58 -0.75 0.64 0.47 0.00 0.00 0.00 175.10 176.04 2ww4 n ASP 164 N 0.14 2.42 -4.71 3.32 8.00 -1.26 -4.40 116.55 120.05 2ww4 n ASP 164 Ca -0.15 -3.15 -0.30 0.00 0.71 0.00 0.00 54.79 51.90 2ww4 n ASP 164 Cb 0.61 -0.66 0.14 0.00 -0.02 0.00 0.00 41.12 41.19 2ww4 n ASP 164 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2ww4 s PRO 165 N -1.89 1.15 0.18 -0.24 0.04 -1.26 -4.91 135.00 128.06 2ww4 s PRO 165 Ca 0.37 0.80 -0.33 0.00 0.04 0.00 0.00 61.00 61.88 2ww4 s PRO 165 Cb 0.14 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.74 2ww4 s PRO 165 CO -0.06 -2.31 1.60 -2.30 0.04 0.00 0.00 177.00 173.97 2ww4 n PRO 166 N -3.93 2.30 -2.41 0.56 -0.02 -1.26 -4.87 135.00 125.37 2ww4 n PRO 166 Ca 0.07 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 2ww4 n PRO 166 Cb 0.55 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2ww4 n PRO 166 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ww4 n GLU 167 N 3.38 3.22 -1.85 -0.52 1.02 -1.26 -4.94 120.64 119.70 2ww4 n GLU 167 Ca 0.16 -3.28 -0.29 0.00 -0.02 0.00 0.00 57.16 53.73 2ww4 n GLU 167 Cb 0.31 -3.25 0.11 0.00 -0.02 0.00 0.00 31.44 28.59 2ww4 n GLU 167 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ww4 s LYS 168 N 2.71 1.69 -0.12 3.49 1.02 -1.26 -4.64 119.74 122.64 2ww4 s LYS 168 Ca 0.47 0.08 -0.07 0.00 0.02 0.00 0.00 55.97 56.47 2ww4 s LYS 168 Cb 0.06 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 2ww4 s LYS 168 CO 0.01 -1.78 0.15 -1.58 -0.92 0.00 0.00 175.35 171.23 2ww4 s TRP 169 N -3.56 3.60 -0.03 3.18 0.52 -0.15 -0.23 118.94 122.27 2ww4 s TRP 169 Ca 0.63 0.54 0.06 0.00 0.02 0.00 0.00 56.10 57.36 2ww4 s TRP 169 Cb -0.11 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 2ww4 s TRP 169 CO 0.50 0.73 -0.22 0.71 0.02 0.00 0.00 176.95 178.70 2ww4 s TYR 170 N -1.02 2.03 -0.37 -1.98 2.02 0.81 -0.23 117.35 118.60 2ww4 s TYR 170 Ca 0.15 -0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 56.19 2ww4 s TYR 170 Cb -0.12 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 2ww4 s TYR 170 CO 0.04 -0.12 0.45 -1.17 -1.57 0.00 0.00 175.55 173.19 2ww4 s LEU 171 N -0.28 4.51 -0.28 -1.29 0.20 -0.57 -0.88 118.68 120.09 2ww4 s LEU 171 Ca 0.02 -0.27 -0.10 0.00 0.69 0.00 0.00 54.13 54.48 2ww4 s LEU 171 Cb -0.11 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.15 2ww4 s LEU 171 CO 0.01 -0.48 0.15 -0.69 -0.29 0.00 0.00 176.35 175.05 2ww4 s VAL 172 N 2.24 4.84 0.01 1.68 1.01 0.81 -1.11 120.40 129.87 2ww4 s VAL 172 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2ww4 s VAL 172 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2ww4 s VAL 172 CO 0.13 0.22 0.04 0.00 0.00 0.00 0.00 175.10 175.49 2ww4 s ALA 173 N 1.68 3.41 -0.48 5.51 0.00 0.36 -1.07 121.76 131.18 2ww4 s ALA 173 Ca 0.06 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2ww4 s ALA 173 Cb -0.16 -1.43 0.12 0.00 0.00 0.00 0.00 23.12 21.65 2ww4 s ALA 173 CO 0.08 0.67 0.22 -1.58 0.00 0.00 0.00 175.76 175.14 2ww4 s HIS 174 N -1.15 3.17 0.62 0.00 2.46 -0.52 -1.39 115.29 118.47 2ww4 s HIS 174 Ca 0.21 -3.07 -0.18 0.00 0.47 0.00 0.00 55.06 52.50 2ww4 s HIS 174 Cb -0.12 -2.75 -0.06 0.00 -0.13 0.00 0.00 32.58 29.52 2ww4 s HIS 174 CO 0.13 -0.78 0.66 -2.30 -2.47 0.00 0.00 174.74 169.97 2ww4 n PRO 175 N 3.37 0.56 -1.42 2.88 -0.02 -1.26 -4.41 135.00 134.69 2ww4 n PRO 175 Ca 0.05 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 2ww4 n PRO 175 Cb 0.34 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 2ww4 n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww4 n GLY 176 N 1.60 4.17 3.17 -1.23 0.00 -1.26 -4.83 105.19 106.82 2ww4 n GLY 176 Ca 0.12 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2ww4 n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww4 s VAL 177 N 0.42 0.03 -0.19 1.61 0.11 -1.26 -5.08 120.40 116.03 2ww4 s VAL 177 Ca 0.64 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 59.29 2ww4 s VAL 177 Cb 0.25 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2ww4 s VAL 177 CO -0.08 -0.14 0.31 -0.55 -3.33 0.00 0.00 175.10 171.32 2ww4 s SER 178 N -0.53 6.38 -0.32 3.54 0.15 -1.26 -4.66 113.70 117.00 2ww4 s SER 178 Ca -0.06 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.07 2ww4 s SER 178 Cb -0.04 -2.19 0.09 0.00 -1.71 0.00 0.00 66.02 62.17 2ww4 s SER 178 CO 0.02 0.02 0.02 -0.63 1.20 0.00 0.00 173.24 173.87 2ww4 s ILE 179 N 0.90 2.19 0.18 6.45 1.01 -1.26 -5.04 121.20 125.63 2ww4 s ILE 179 Ca 0.16 -2.15 -0.30 0.00 0.00 0.00 0.00 60.65 58.36 2ww4 s ILE 179 Cb -0.14 -2.55 -0.08 0.00 0.01 0.00 0.00 42.46 39.70 2ww4 s ILE 179 CO 0.06 -0.47 1.32 -2.84 0.00 0.00 0.00 174.94 173.00 2ww4 s PRO 180 N 0.98 4.38 0.26 2.79 0.02 -1.26 -4.73 135.00 137.42 2ww4 s PRO 180 Ca 0.06 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.10 2ww4 s PRO 180 Cb -0.19 -3.21 0.52 0.00 0.02 0.00 0.00 34.50 31.64 2ww4 s PRO 180 CO -0.08 -0.29 1.67 1.15 -0.33 0.00 0.00 177.00 179.12 2ww4 h THR 181 N 3.88 0.46 -0.68 0.99 2.02 -1.94 -0.72 112.91 116.92 2ww4 h THR 181 Ca -0.44 -0.09 0.15 0.00 0.77 0.00 0.00 66.41 66.80 2ww4 h THR 181 Cb 1.21 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2ww4 h THR 181 CO 0.79 0.05 0.46 -0.65 0.37 0.00 0.00 175.52 176.54 2ww4 h PRO 182 N 0.25 0.28 -0.66 6.66 0.11 -1.98 -1.49 132.00 135.17 2ww4 h PRO 182 Ca 0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 2ww4 h PRO 182 Cb 0.80 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 2ww4 h PRO 182 CO -0.55 0.19 0.31 0.28 -0.21 0.00 0.00 178.00 178.01 2ww4 h VAL 183 N 0.29 1.22 -0.07 3.15 2.07 -1.51 -0.82 116.25 120.58 2ww4 h VAL 183 Ca 0.33 -0.62 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 2ww4 h VAL 183 Cb 0.88 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2ww4 h VAL 183 CO -0.08 0.26 -0.45 0.40 0.02 0.00 0.00 177.57 177.72 2ww4 h ILE 184 N 0.94 1.40 0.00 4.57 1.08 -1.35 -3.23 117.51 120.92 2ww4 h ILE 184 Ca 0.23 -1.84 -0.04 0.00 -0.39 0.00 0.00 64.86 62.83 2ww4 h ILE 184 Cb 0.11 2.31 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 2ww4 h ILE 184 CO -0.03 0.54 -0.18 -0.26 -0.69 0.00 0.00 178.15 177.53 2ww4 h PHE 185 N -0.02 0.00 -0.01 1.37 0.04 -1.20 -2.37 116.94 114.76 2ww4 h PHE 185 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2ww4 h PHE 185 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 2ww4 h PHE 185 CO 0.12 0.18 -0.25 1.63 -0.60 0.00 0.00 178.31 179.40 2ww4 n LYS 186 N -3.40 0.92 -2.09 1.51 4.76 -0.33 -4.91 118.16 114.61 2ww4 n LYS 186 Ca -0.00 -0.56 -0.42 0.00 -2.87 0.00 0.00 58.31 54.46 2ww4 n LYS 186 Cb 0.38 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2ww4 n LYS 186 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2ww4 s ASP 187 N -2.47 6.75 0.49 4.39 2.15 -0.89 -4.91 116.67 122.18 2ww4 s ASP 187 Ca 0.25 2.46 0.18 0.00 0.43 0.00 0.00 52.55 55.87 2ww4 s ASP 187 Cb 0.19 -2.60 1.20 0.00 -0.30 0.00 0.00 42.92 41.42 2ww4 s ASP 187 CO 0.51 -0.69 2.07 1.55 -0.17 0.00 0.00 175.17 178.44 2ww4 h PRO 188 N 6.35 0.00 -0.14 4.34 0.13 -1.91 -2.91 132.00 137.87 2ww4 h PRO 188 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ww4 h PRO 188 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ww4 h PRO 188 CO 0.85 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 179.12 2ww4 n GLU 189 N -4.27 1.83 -1.80 0.86 -0.58 -1.26 -4.92 120.64 110.51 2ww4 n GLU 189 Ca -0.03 -1.23 -0.42 0.00 -0.42 0.00 0.00 57.16 55.06 2ww4 n GLU 189 Cb 0.18 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2ww4 n GLU 189 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2ww4 s LEU 190 N -1.71 4.37 0.24 -4.62 2.96 -1.10 -4.95 118.68 113.86 2ww4 s LEU 190 Ca 0.34 2.82 -0.31 0.00 -0.22 0.00 0.00 54.13 56.76 2ww4 s LEU 190 Cb 0.19 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 43.16 2ww4 s LEU 190 CO 0.29 -0.92 1.63 -2.84 -1.32 0.00 0.00 176.35 173.19 2ww4 s PRO 191 N 0.80 4.15 -0.03 0.98 0.02 -1.26 -4.88 135.00 134.77 2ww4 s PRO 191 Ca 0.71 2.54 0.17 0.00 0.02 0.00 0.00 61.00 64.44 2ww4 s PRO 191 Cb -0.48 -3.07 0.31 0.00 0.02 0.00 0.00 34.50 31.28 2ww4 s PRO 191 CO 0.35 -0.66 1.13 0.54 -0.33 0.00 0.00 177.00 178.03 2ww4 n ARG 192 N 3.20 0.21 -0.76 5.54 1.74 -1.26 -4.63 116.66 120.70 2ww4 n ARG 192 Ca 0.12 -1.88 0.01 0.00 -0.77 0.00 0.00 57.85 55.33 2ww4 n ARG 192 Cb 0.37 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 2ww4 n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2ww4 n ASN 193 N 0.12 0.20 -4.72 0.55 5.15 -1.14 -3.31 115.26 112.12 2ww4 n ASN 193 Ca 0.06 -1.89 -0.42 0.00 -0.60 0.00 0.00 54.58 51.73 2ww4 n ASN 193 Cb 0.96 -0.18 -0.03 0.00 -0.53 0.00 0.00 39.78 40.00 2ww4 n ASN 193 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ww4 s THR 194 N 0.00 3.04 0.16 -0.44 2.01 -0.55 -4.93 115.64 114.93 2ww4 s THR 194 Ca 0.08 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.52 2ww4 s THR 194 Cb 0.09 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 69.01 2ww4 s THR 194 CO -0.04 0.06 1.73 -2.84 -0.69 0.00 0.00 174.62 172.85 2ww4 s PRO 195 N 1.03 4.15 -0.09 4.92 0.02 -1.26 -4.20 135.00 139.57 2ww4 s PRO 195 Ca 0.66 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.93 2ww4 s PRO 195 Cb -0.39 -3.34 -0.06 0.00 0.02 0.00 0.00 34.50 30.73 2ww4 s PRO 195 CO 0.31 -0.76 1.78 0.21 -0.33 0.00 0.00 177.00 178.21 2ww4 s LYS 196 N 1.91 3.97 0.36 5.54 2.20 -1.26 -4.98 119.74 127.49 2ww4 s LYS 196 Ca 0.76 2.15 0.08 0.00 -0.36 0.00 0.00 55.97 58.60 2ww4 s LYS 196 Cb -0.46 -4.08 -0.07 0.00 -1.51 0.00 0.00 37.83 31.70 2ww4 s LYS 196 CO 0.34 -1.11 -0.04 1.03 -0.36 0.00 0.00 175.35 175.21 2ww4 s ARG 197 N 4.53 1.84 0.60 4.03 0.52 -1.26 -5.14 118.95 124.07 2ww4 s ARG 197 Ca 0.79 -1.99 -0.15 0.00 -0.52 0.00 0.00 55.73 53.86 2ww4 s ARG 197 Cb -0.33 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 2ww4 s ARG 197 CO 0.33 0.03 1.04 -1.54 0.02 0.00 0.00 175.30 175.18 2ww4 s SER 198 N -3.63 5.86 0.30 0.23 1.04 -1.26 -4.89 113.70 111.36 2ww4 s SER 198 Ca 0.34 1.72 -0.00 0.00 0.48 0.00 0.00 55.95 58.48 2ww4 s SER 198 Cb 0.06 -2.52 0.49 0.00 0.10 0.00 0.00 66.02 64.16 2ww4 s SER 198 CO 0.17 -1.11 1.94 -0.29 0.98 0.00 0.00 173.24 174.92 2ww4 h ILE 199 N 0.25 1.13 -0.53 -1.02 6.09 -2.00 -1.14 117.51 120.28 2ww4 h ILE 199 Ca -0.46 -0.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.65 2ww4 h ILE 199 Cb 1.21 -0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.45 2ww4 h ILE 199 CO 0.58 0.19 0.27 -0.33 -3.07 0.00 0.00 178.15 175.80 2ww4 h GLU 200 N 1.07 0.75 0.07 2.19 3.07 -1.99 0.82 114.58 120.56 2ww4 h GLU 200 Ca 0.35 -0.10 0.02 0.00 -0.50 0.00 0.00 59.36 59.12 2ww4 h GLU 200 Cb 0.05 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 2ww4 h GLU 200 CO -0.11 0.61 -0.18 1.15 -1.40 0.00 0.00 179.01 179.08 2ww4 h THR 201 N 0.71 0.58 -0.15 1.13 2.02 -1.80 -3.02 112.91 112.39 2ww4 h THR 201 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2ww4 h THR 201 Cb 0.09 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2ww4 h THR 201 CO -0.03 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.87 2ww4 h LEU 202 N -0.33 0.18 -2.03 2.58 3.38 -0.68 -2.41 115.31 116.00 2ww4 h LEU 202 Ca 0.03 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2ww4 h LEU 202 Cb 0.37 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2ww4 h LEU 202 CO -0.12 0.22 0.15 -0.07 0.09 0.00 0.00 178.44 178.71 2ww4 h LEU 203 N 0.14 0.00 -3.56 1.67 3.38 -0.86 -1.08 115.31 114.99 2ww4 h LEU 203 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2ww4 h LEU 203 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2ww4 h LEU 203 CO -0.01 0.00 0.06 0.29 0.09 0.00 0.00 178.44 178.87 2ww4 n LYS 204 N -4.41 4.35 -3.59 1.13 4.76 -0.93 -4.97 118.16 114.51 2ww4 n LYS 204 Ca 0.02 -3.11 -0.22 0.00 -2.87 0.00 0.00 58.31 52.13 2ww4 n LYS 204 Cb 0.29 -2.20 -0.02 0.00 -1.84 0.00 0.00 35.03 31.26 2ww4 n LYS 204 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ww4 s GLU 206 N -4.19 4.20 0.09 0.00 2.12 -1.26 -4.98 118.70 114.68 2ww4 s GLU 206 Ca 0.47 2.43 -0.27 0.00 0.36 0.00 0.00 54.97 57.95 2ww4 s GLU 206 Cb -0.03 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 2ww4 s GLU 206 CO 0.27 -0.56 0.86 -0.06 -0.54 0.00 0.00 175.26 175.23 2ww4 s PHE 207 N 0.35 3.79 0.22 5.30 0.40 -1.26 -5.06 117.98 121.71 2ww4 s PHE 207 Ca 0.64 1.64 -0.11 0.00 -0.60 0.00 0.00 56.93 58.50 2ww4 s PHE 207 Cb -0.45 -2.92 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 2ww4 s PHE 207 CO 0.41 0.27 0.41 -1.54 0.70 0.00 0.00 175.22 175.47 2ww4 s SER 208 N -0.13 -0.06 -0.22 1.36 1.04 -1.26 -5.01 113.70 109.41 2ww4 s SER 208 Ca 0.42 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2ww4 s SER 208 Cb -0.22 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.48 2ww4 s SER 208 CO 0.26 -1.05 -0.13 0.21 0.98 0.00 0.00 173.24 173.51 2ww4 s ASN 209 N -3.01 3.77 0.58 7.02 3.84 -1.26 -1.64 114.94 124.24 2ww4 s ASN 209 Ca 0.22 -1.04 0.28 0.00 0.21 0.00 0.00 52.86 52.52 2ww4 s ASN 209 Cb 0.01 -1.42 1.68 0.00 -0.55 0.00 0.00 41.25 40.96 2ww4 s ASN 209 CO 0.06 -0.13 2.17 0.44 -2.79 0.00 0.00 177.10 176.86 2ww4 h ASP 210 N 7.88 0.00 1.34 -4.21 3.32 -1.43 -0.71 116.42 122.60 2ww4 h ASP 210 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2ww4 h ASP 210 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2ww4 h ASP 210 CO 0.51 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 2ww4 h GLU 212 N 0.00 0.36 -0.95 0.00 4.81 -1.46 -1.89 114.58 115.46 2ww4 h GLU 212 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2ww4 h GLU 212 Cb 0.67 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 2ww4 h GLU 212 CO 0.00 0.24 0.59 -0.39 -0.73 0.00 0.00 179.01 178.72 2ww4 h VAL 213 N 0.37 0.98 0.00 0.32 -1.51 -1.77 0.51 116.25 115.15 2ww4 h VAL 213 Ca 0.14 -0.34 -0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2ww4 h VAL 213 Cb 0.04 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.09 2ww4 h VAL 213 CO -0.09 0.18 -0.00 0.40 -1.23 0.00 0.00 177.57 176.83 2ww4 h ILE 214 N 1.00 1.38 -0.83 7.19 1.08 -1.74 -2.81 117.51 122.78 2ww4 h ILE 214 Ca 0.44 -1.12 0.06 0.00 -0.39 0.00 0.00 64.86 63.85 2ww4 h ILE 214 Cb 0.33 2.14 -0.06 0.00 -3.07 0.00 0.00 36.82 36.17 2ww4 h ILE 214 CO -0.22 0.29 0.51 0.00 -0.69 0.00 0.00 178.15 178.04 2ww4 h ALA 215 N 0.52 1.13 -0.10 1.87 0.00 -0.93 -0.60 119.26 121.15 2ww4 h ALA 215 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ww4 h ALA 215 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ww4 h ALA 215 CO 0.00 0.27 0.04 0.00 0.00 0.00 0.00 179.25 179.56 2ww4 h ARG 216 N 0.95 0.09 -0.18 0.00 3.08 -0.96 -2.00 114.38 115.37 2ww4 h ARG 216 Ca 0.36 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.24 2ww4 h ARG 216 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2ww4 h ARG 216 CO -0.16 0.06 -0.51 0.87 -1.07 0.00 0.00 179.97 179.16 2ww4 h LYS 217 N 0.10 0.66 -0.02 0.04 1.57 -1.20 -3.29 116.57 114.42 2ww4 h LYS 217 Ca 0.04 -0.48 -0.16 0.00 -1.87 0.00 0.00 60.65 58.19 2ww4 h LYS 217 Cb 0.01 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2ww4 h LYS 217 CO -0.03 1.10 -0.70 0.00 -0.57 0.00 0.00 179.45 179.24 2ww4 h ARG 218 N 0.35 0.12 -2.97 3.15 3.08 -1.17 -3.40 114.38 113.54 2ww4 h ARG 218 Ca -0.01 -0.10 -0.61 0.00 0.07 0.00 0.00 59.98 59.33 2ww4 h ARG 218 Cb 1.13 0.02 -0.40 0.00 0.08 0.00 0.00 29.97 30.81 2ww4 h ARG 218 CO 0.11 0.78 -0.75 -0.06 -1.07 0.00 0.00 179.97 178.98 2ww4 s PHE 219 N -3.50 1.84 -0.51 3.04 0.08 -0.75 -4.99 117.98 113.20 2ww4 s PHE 219 Ca -0.02 -2.32 0.21 0.00 0.12 0.00 0.00 56.93 54.92 2ww4 s PHE 219 Cb 0.12 -1.78 0.92 0.00 -0.57 0.00 0.00 43.02 41.71 2ww4 s PHE 219 CO 0.79 -0.79 1.63 0.54 -0.10 0.00 0.00 175.22 177.29 2ww4 n ARG 220 N 3.65 0.15 -0.32 0.44 5.12 -1.25 -0.60 116.66 123.85 2ww4 n ARG 220 Ca 0.08 0.46 -0.01 0.00 -1.93 0.00 0.00 57.85 56.45 2ww4 n ARG 220 Cb 0.35 -1.83 0.16 0.00 -1.16 0.00 0.00 32.46 29.98 2ww4 n ARG 220 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2ww4 h GLU 221 N 0.00 1.20 -0.38 5.56 3.07 -1.93 0.43 114.58 122.53 2ww4 h GLU 221 Ca 0.00 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 2ww4 h GLU 221 Cb 0.25 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2ww4 h GLU 221 CO 0.00 0.80 0.12 0.28 -1.40 0.00 0.00 179.01 178.81 2ww4 h VAL 222 N 1.23 1.21 -0.72 3.13 2.07 -1.15 -1.85 116.25 120.17 2ww4 h VAL 222 Ca 0.33 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2ww4 h VAL 222 Cb -0.13 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2ww4 h VAL 222 CO -0.07 0.24 0.48 -0.78 0.02 0.00 0.00 177.57 177.45 2ww4 h ASP 223 N 0.46 0.78 0.18 0.57 3.58 -1.24 -1.23 116.42 119.53 2ww4 h ASP 223 Ca 0.12 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2ww4 h ASP 223 Cb 0.25 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2ww4 h ASP 223 CO -0.00 0.55 -0.09 0.00 -2.88 0.00 0.00 179.24 176.81 2ww4 h ALA 224 N 1.57 -0.25 -0.14 -0.78 0.00 0.13 -1.99 119.26 117.80 2ww4 h ALA 224 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ww4 h ALA 224 Cb -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ww4 h ALA 224 CO -0.07 -0.53 0.08 0.28 0.00 0.00 0.00 179.25 179.02 2ww4 h VAL 225 N -0.48 1.02 -0.41 0.00 2.07 -1.06 -1.67 116.25 115.73 2ww4 h VAL 225 Ca -0.03 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2ww4 h VAL 225 Cb 0.36 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2ww4 h VAL 225 CO 0.04 0.03 0.16 -0.07 0.02 0.00 0.00 177.57 177.75 2ww4 h LEU 226 N 0.18 0.18 -0.73 2.57 3.38 -1.26 -1.60 115.31 118.02 2ww4 h LEU 226 Ca 0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ww4 h LEU 226 Cb -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2ww4 h LEU 226 CO -0.02 0.14 0.47 0.28 0.09 0.00 0.00 178.44 179.40 2ww4 h SER 227 N 0.33 0.86 -0.50 -0.43 0.02 -1.05 0.29 113.55 113.07 2ww4 h SER 227 Ca 0.19 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2ww4 h SER 227 Cb 0.16 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2ww4 h SER 227 CO -0.18 0.64 0.13 -0.25 -1.14 0.00 0.00 176.83 176.03 2ww4 h TRP 228 N 0.99 0.82 -0.04 3.45 7.01 -1.02 -3.24 115.95 123.93 2ww4 h TRP 228 Ca 0.27 -0.09 -0.24 0.00 2.11 0.00 0.00 58.89 60.94 2ww4 h TRP 228 Cb -0.08 -0.23 0.01 0.00 -2.10 0.00 0.00 29.16 26.75 2ww4 h TRP 228 CO -0.02 0.73 -0.92 -0.07 -2.79 0.00 0.00 178.44 175.37 2ww4 h LEU 229 N 0.68 0.75 -2.89 0.65 3.38 -0.99 -3.13 115.31 113.76 2ww4 h LEU 229 Ca 0.16 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2ww4 h LEU 229 Cb 0.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ww4 h LEU 229 CO -0.00 1.36 0.03 -0.07 0.09 0.00 0.00 178.44 179.84 2ww4 h LEU 230 N 0.36 0.00 -1.98 1.67 3.38 -0.97 0.15 115.31 117.93 2ww4 h LEU 230 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ww4 h LEU 230 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2ww4 h LEU 230 CO 0.17 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.37 2ww4 h GLU 231 N 0.00 0.00 0.00 1.13 4.39 -1.57 -3.33 114.58 115.20 2ww4 h GLU 231 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 2ww4 h GLU 231 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2ww4 h GLU 231 CO -0.00 0.00 -1.59 0.66 -1.16 0.00 0.00 179.01 176.92 2ww4 n TYR 232 N -3.07 0.00 -3.55 4.33 4.01 0.49 -5.10 117.16 114.26 2ww4 n TYR 232 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 2ww4 n TYR 232 Cb 0.22 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 38.85 2ww4 n TYR 232 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ww4 s ALA 233 N -2.43 -1.95 0.21 -0.72 0.00 -0.95 -5.06 121.76 110.85 2ww4 s ALA 233 Ca -0.04 1.28 -0.32 0.00 0.00 0.00 0.00 51.96 52.88 2ww4 s ALA 233 Cb 0.04 0.16 -0.13 0.00 0.00 0.00 0.00 23.12 23.19 2ww4 s ALA 233 CO 0.41 -0.65 1.59 -2.30 0.00 0.00 0.00 175.76 174.81 2ww4 n PRO 234 N -0.18 2.39 -3.87 0.00 -0.02 -1.26 -4.11 135.00 127.95 2ww4 n PRO 234 Ca -0.04 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 2ww4 n PRO 234 Cb 0.60 -2.63 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 2ww4 n PRO 234 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ww4 s SER 235 N 0.82 -0.00 0.10 2.55 0.01 -1.26 -1.91 113.70 114.00 2ww4 s SER 235 Ca 0.74 -0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.85 2ww4 s SER 235 Cb -0.60 0.07 0.02 0.00 0.21 0.00 0.00 66.02 65.72 2ww4 s SER 235 CO 0.40 -0.05 0.34 -0.13 0.41 0.00 0.00 173.24 174.21 2ww4 s ARG 236 N -0.17 0.96 0.49 12.44 0.52 -0.61 -4.97 118.95 127.62 2ww4 s ARG 236 Ca -0.02 -0.71 -0.23 0.00 -0.52 0.00 0.00 55.73 54.25 2ww4 s ARG 236 Cb -0.01 0.42 -0.06 0.00 0.52 0.00 0.00 34.95 35.81 2ww4 s ARG 236 CO -0.00 -0.35 1.29 -1.17 0.02 0.00 0.00 175.30 175.09 2ww4 s LEU 237 N -2.63 3.98 0.01 2.53 2.96 -1.26 -0.65 118.68 123.62 2ww4 s LEU 237 Ca 0.01 2.61 0.04 0.00 -0.22 0.00 0.00 54.13 56.57 2ww4 s LEU 237 Cb 0.02 -4.18 -0.03 0.00 0.50 0.00 0.00 46.19 42.49 2ww4 s LEU 237 CO -0.10 -1.22 -0.08 0.28 -1.32 0.00 0.00 176.35 173.92 2ww4 s THR 238 N -1.37 3.55 0.00 3.68 -1.32 -0.80 -4.81 115.64 114.58 2ww4 s THR 238 Ca 0.66 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2ww4 s THR 238 Cb -0.36 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 2ww4 s THR 238 CO 0.44 0.37 0.00 0.61 -2.21 0.00 0.00 174.62 173.83 2ww4 n GLY 239 N 1.50 2.83 1.97 6.08 0.00 -1.24 -0.79 105.19 115.54 2ww4 n GLY 239 Ca -0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 2ww4 n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww4 n THR 240 N 0.00 2.88 -0.85 2.61 -2.24 -1.26 -4.81 114.28 110.61 2ww4 n THR 240 Ca 0.00 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 2ww4 n THR 240 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2ww4 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww4 n GLY 241 N 0.19 -2.64 0.06 3.38 0.00 0.03 -4.91 105.19 101.30 2ww4 n GLY 241 Ca 0.35 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.81 2ww4 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww4 n ALA 242 N -0.26 2.43 -1.70 4.61 0.00 -1.19 -2.75 120.51 121.65 2ww4 n ALA 242 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 2ww4 n ALA 242 Cb 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.07 2ww4 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ww4 s VAL 244 N -1.32 1.14 0.03 0.00 1.01 -0.49 -1.90 120.40 118.88 2ww4 s VAL 244 Ca 0.70 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2ww4 s VAL 244 Cb -0.44 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2ww4 s VAL 244 CO 0.51 0.17 -0.19 0.72 0.00 0.00 0.00 175.10 176.30 2ww4 s PHE 245 N -0.59 1.67 -0.06 5.22 -0.12 0.18 -0.48 117.98 123.79 2ww4 s PHE 245 Ca 0.04 -0.36 0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2ww4 s PHE 245 Cb -0.07 -1.01 -0.02 0.00 -0.63 0.00 0.00 43.02 41.30 2ww4 s PHE 245 CO 0.00 0.06 -0.20 0.00 -0.05 0.00 0.00 175.22 175.03 2ww4 s ALA 246 N -0.75 2.37 0.01 1.99 0.00 -0.27 -1.57 121.76 123.55 2ww4 s ALA 246 Ca 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 2ww4 s ALA 246 Cb -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2ww4 s ALA 246 CO 0.01 0.43 0.09 -1.83 0.00 0.00 0.00 175.76 174.47 2ww4 s GLU 247 N -0.26 3.08 0.02 0.00 -1.05 -0.80 -1.50 118.70 118.18 2ww4 s GLU 247 Ca 0.00 -0.49 -0.09 0.00 -0.15 0.00 0.00 54.97 54.24 2ww4 s GLU 247 Cb -0.13 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 2ww4 s GLU 247 CO 0.03 0.64 0.18 -0.06 0.95 0.00 0.00 175.26 177.00 2ww4 s PHE 248 N -1.23 0.03 0.07 4.83 0.08 0.68 -4.53 117.98 117.90 2ww4 s PHE 248 Ca 0.24 -0.17 0.14 0.00 0.12 0.00 0.00 56.93 57.26 2ww4 s PHE 248 Cb -0.12 -0.03 0.24 0.00 -0.57 0.00 0.00 43.02 42.54 2ww4 s PHE 248 CO 0.15 -0.37 1.52 -0.44 -0.10 0.00 0.00 175.22 175.99 2ww4 h ASP 249 N 3.81 0.00 -4.57 1.36 3.32 -1.97 -0.36 116.42 118.00 2ww4 h ASP 249 Ca -0.31 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.48 2ww4 h ASP 249 Cb 1.19 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 2ww4 h ASP 249 CO 0.45 0.59 -0.71 0.42 -1.72 0.00 0.00 179.24 178.26 2ww4 s THR 250 N -3.20 0.73 0.18 0.35 -4.23 -1.26 -4.61 115.64 103.60 2ww4 s THR 250 Ca 0.01 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 2ww4 s THR 250 Cb 0.10 -1.36 0.09 0.00 1.34 0.00 0.00 72.50 72.67 2ww4 s THR 250 CO 0.75 -0.68 1.74 -0.08 -0.54 0.00 0.00 174.62 175.80 2ww4 h GLU 251 N 3.46 0.96 -0.25 3.99 4.81 -1.95 -2.72 114.58 122.88 2ww4 h GLU 251 Ca -0.36 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 58.74 2ww4 h GLU 251 Cb 1.18 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2ww4 h GLU 251 CO 0.56 0.81 -0.02 1.03 -0.73 0.00 0.00 179.01 180.67 2ww4 h SER 252 N 0.90 -0.14 -0.37 1.04 0.87 -1.98 -0.04 113.55 113.84 2ww4 h SER 252 Ca 0.21 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2ww4 h SER 252 Cb 0.21 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2ww4 h SER 252 CO -0.02 -0.04 0.03 -0.08 -0.53 0.00 0.00 176.83 176.20 2ww4 h GLU 253 N 0.06 0.63 -0.77 2.24 4.81 -1.97 -0.13 114.58 119.45 2ww4 h GLU 253 Ca 0.12 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2ww4 h GLU 253 Cb 0.17 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 2ww4 h GLU 253 CO -0.22 0.72 0.46 0.00 -0.73 0.00 0.00 179.01 179.24 2ww4 h ALA 254 N 0.89 1.04 0.00 2.92 0.00 -1.22 -1.98 119.26 120.91 2ww4 h ALA 254 Ca 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2ww4 h ALA 254 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2ww4 h ALA 254 CO 0.01 0.19 -0.54 0.00 0.00 0.00 0.00 179.25 178.91 2ww4 h ARG 255 N 0.86 0.00 -0.42 0.00 3.08 -0.83 -1.54 114.38 115.53 2ww4 h ARG 255 Ca 0.33 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.40 2ww4 h ARG 255 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2ww4 h ARG 255 CO -0.16 0.54 0.26 0.37 -1.07 0.00 0.00 179.97 179.90 2ww4 h GLN 256 N 0.00 0.51 -0.24 0.04 5.75 -0.65 0.11 115.11 120.64 2ww4 h GLN 256 Ca -0.01 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.30 2ww4 h GLN 256 Cb 1.26 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 2ww4 h GLN 256 CO 0.07 0.34 -0.51 0.28 -2.65 0.00 0.00 178.83 176.36 2ww4 h VAL 257 N 0.52 1.30 -0.68 2.39 2.07 -1.18 -3.04 116.25 117.63 2ww4 h VAL 257 Ca 0.16 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.99 2ww4 h VAL 257 Cb -0.01 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2ww4 h VAL 257 CO -0.06 0.55 0.43 0.25 0.02 0.00 0.00 177.57 178.76 2ww4 h LEU 258 N 0.52 0.72 -1.30 2.57 5.85 -1.09 -2.03 115.31 120.56 2ww4 h LEU 258 Ca 0.02 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2ww4 h LEU 258 Cb 1.06 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2ww4 h LEU 258 CO 0.10 0.51 0.53 -0.33 -0.34 0.00 0.00 178.44 178.91 2ww4 h GLU 259 N 0.86 0.79 0.00 1.25 4.39 -0.87 -1.42 114.58 119.58 2ww4 h GLU 259 Ca 0.27 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2ww4 h GLU 259 Cb -0.01 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2ww4 h GLU 259 CO -0.09 0.52 0.00 1.96 -1.16 0.00 0.00 179.01 180.24 2ww4 h GLN 260 N 0.81 0.00 -6.94 2.33 4.20 -1.29 -3.47 115.11 110.75 2ww4 h GLN 260 Ca 0.36 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.54 2ww4 h GLN 260 Cb 0.35 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.22 2ww4 h GLN 260 CO -0.14 0.00 0.67 0.00 -0.67 0.00 0.00 178.83 178.69 2ww4 s ALA 261 N -3.22 3.39 0.73 3.87 0.00 -0.54 -5.00 121.76 121.00 2ww4 s ALA 261 Ca 0.07 1.36 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 2ww4 s ALA 261 Cb 0.07 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.70 2ww4 s ALA 261 CO 0.64 -0.89 1.19 -2.14 0.00 0.00 0.00 175.76 174.56 2ww4 s PRO 262 N -2.13 2.17 0.39 0.00 0.02 -1.26 -4.93 135.00 129.25 2ww4 s PRO 262 Ca 0.55 1.69 0.10 0.00 0.02 0.00 0.00 61.00 63.36 2ww4 s PRO 262 Cb -0.41 -1.84 0.89 0.00 0.02 0.00 0.00 34.50 33.15 2ww4 s PRO 262 CO 0.54 -1.80 1.93 0.93 -0.33 0.00 0.00 177.00 178.27 2ww4 h GLU 263 N -0.34 0.58 0.00 5.54 5.08 -1.98 -2.34 114.58 121.12 2ww4 h GLU 263 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2ww4 h GLU 263 Cb 1.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ww4 h GLU 263 CO 0.50 0.38 0.00 -2.67 -1.00 0.00 0.00 179.01 176.22 2ww4 n TRP 264 N -4.50 0.00 0.20 4.33 4.27 -1.26 -1.62 117.44 118.86 2ww4 n TRP 264 Ca 0.13 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.83 2ww4 n TRP 264 Cb 0.39 -0.15 0.31 0.00 -1.36 0.00 0.00 31.31 30.50 2ww4 n TRP 264 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2ww4 h LEU 265 N 0.00 0.00 -3.79 5.67 4.07 -1.74 -3.63 115.31 115.89 2ww4 h LEU 265 Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 2ww4 h LEU 265 Cb 0.07 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 2ww4 h LEU 265 CO 0.00 0.27 -1.01 0.59 -1.08 0.00 0.00 178.44 177.20 2ww4 n ASN 266 N -3.29 -3.74 -4.86 -0.43 3.02 -0.64 -1.44 115.26 103.89 2ww4 n ASN 266 Ca 0.01 -1.30 -0.26 0.00 -0.03 0.00 0.00 54.58 53.00 2ww4 n ASN 266 Cb 0.52 -1.66 -0.04 0.00 -0.61 0.00 0.00 39.78 37.99 2ww4 n ASN 266 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ww4 s GLY 267 N -3.60 1.66 0.18 7.41 0.00 -1.26 -2.50 107.32 109.22 2ww4 s GLY 267 Ca 0.46 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 2ww4 s GLY 267 CO 0.98 -1.18 0.10 -0.11 0.00 0.00 0.00 173.10 172.88 2ww4 s PHE 268 N -1.79 1.06 -0.09 1.90 -0.12 -0.23 -4.98 117.98 113.74 2ww4 s PHE 268 Ca 0.32 -1.31 0.04 0.00 -0.05 0.00 0.00 56.93 55.93 2ww4 s PHE 268 Cb -0.10 -0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 41.74 2ww4 s PHE 268 CO 0.25 -0.58 -0.22 0.08 -0.05 0.00 0.00 175.22 174.71 2ww4 s VAL 269 N -4.10 2.29 0.03 -2.49 1.01 -1.26 -0.14 120.40 115.75 2ww4 s VAL 269 Ca 0.33 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 2ww4 s VAL 269 Cb 0.07 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2ww4 s VAL 269 CO 0.08 0.56 0.22 0.00 0.00 0.00 0.00 175.10 175.96 2ww4 s ALA 270 N 0.08 -0.46 0.00 5.51 0.00 -0.06 -4.98 121.76 121.85 2ww4 s ALA 270 Ca -0.10 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 2ww4 s ALA 270 Cb -0.16 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2ww4 s ALA 270 CO 0.06 -0.35 0.44 0.21 0.00 0.00 0.00 175.76 176.12 2ww4 s LYS 271 N -2.31 3.99 0.20 0.00 2.20 -1.26 -0.14 119.74 122.42 2ww4 s LYS 271 Ca -0.07 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2ww4 s LYS 271 Cb -0.02 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 2ww4 s LYS 271 CO -0.02 0.64 1.08 0.20 -0.36 0.00 0.00 175.35 176.89 2ww4 s GLY 272 N -0.96 2.91 -0.00 5.54 0.00 0.69 -0.45 107.32 115.05 2ww4 s GLY 272 Ca 0.25 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.80 2ww4 s GLY 272 CO 0.14 1.59 -0.08 0.14 0.00 0.00 0.00 173.10 174.89 2ww4 s VAL 273 N -0.47 0.59 -0.12 1.40 1.01 -0.33 -4.41 120.40 118.06 2ww4 s VAL 273 Ca 0.48 -0.34 0.16 0.00 0.00 0.00 0.00 61.98 62.28 2ww4 s VAL 273 Cb -0.29 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 2ww4 s VAL 273 CO 0.36 0.15 0.97 0.78 0.00 0.00 0.00 175.10 177.36 2ww4 h ASN 274 N 5.92 0.00 -3.43 3.32 2.35 -1.91 -2.53 115.58 119.31 2ww4 h ASN 274 Ca -0.30 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.86 2ww4 h ASN 274 Cb 1.18 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.45 2ww4 h ASN 274 CO 0.50 0.56 -0.21 -0.22 -1.65 0.00 0.00 177.43 176.41 2ww4 s LEU 275 N -5.94 4.19 0.36 1.61 2.96 -1.26 -0.47 118.68 120.13 2ww4 s LEU 275 Ca -0.01 0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 54.17 2ww4 s LEU 275 Cb 0.08 -2.52 -0.11 0.00 0.50 0.00 0.00 46.19 44.14 2ww4 s LEU 275 CO 0.80 -0.04 1.51 -0.24 -1.32 0.00 0.00 176.35 177.06 2ww4 n SER 276 N 4.21 3.81 0.10 3.68 2.88 -0.68 -4.84 113.62 122.78 2ww4 n SER 276 Ca -0.09 1.21 0.19 0.00 -1.33 0.00 0.00 58.87 58.85 2ww4 n SER 276 Cb 0.51 -1.61 0.75 0.00 -0.75 0.00 0.00 64.21 63.11 2ww4 n SER 276 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2ww4 h PRO 277 N 3.39 0.00 0.38 -1.46 0.11 -1.92 -0.72 132.00 131.78 2ww4 h PRO 277 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2ww4 h PRO 277 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2ww4 h PRO 277 CO 0.68 0.00 -0.18 1.25 -0.21 0.00 0.00 178.00 179.53 2ww4 h LEU 278 N 0.00 -0.43 -1.04 2.35 5.85 -1.90 -2.16 115.31 117.98 2ww4 h LEU 278 Ca 0.18 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2ww4 h LEU 278 Cb 0.86 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2ww4 h LEU 278 CO -0.00 -0.21 -0.45 0.45 -0.34 0.00 0.00 178.44 177.88 2ww4 h HIS 279 N -0.64 0.07 -0.50 1.25 3.86 -1.70 -2.72 115.15 114.78 2ww4 h HIS 279 Ca -0.05 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 2ww4 h HIS 279 Cb 0.46 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2ww4 h HIS 279 CO -0.02 0.50 -0.05 -0.09 0.86 0.00 0.00 177.93 179.13 2ww4 h ARG 280 N 0.05 0.87 0.00 2.45 2.43 -1.13 -2.47 114.38 116.58 2ww4 h ARG 280 Ca 0.00 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 2ww4 h ARG 280 Cb 0.82 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2ww4 h ARG 280 CO 0.06 0.90 -0.28 0.00 -1.51 0.00 0.00 179.97 179.14 2ww4 h ALA 281 N 1.14 1.24 -0.01 2.80 0.00 -1.08 -2.84 119.26 120.51 2ww4 h ALA 281 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ww4 h ALA 281 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ww4 h ALA 281 CO 0.03 0.35 -0.09 -1.33 0.00 0.00 0.00 179.25 178.21 2ww4 n MET 282 N -3.78 0.98 0.00 0.00 2.81 -0.95 -5.12 117.12 111.06 2ww4 n MET 282 Ca -0.01 -0.40 0.04 0.00 -1.81 0.00 0.00 57.70 55.52 2ww4 n MET 282 Cb 0.38 -1.49 0.26 0.00 -0.71 0.00 0.00 33.22 31.66 2ww4 n MET 282 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76