#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa3 s PRO 16 N 0.00 4.35 0.20 5.31 0.02 -1.26 -5.00 135.00 138.62 2wa3 s PRO 16 Ca 0.00 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 2wa3 s PRO 16 Cb 0.00 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.27 2wa3 s PRO 16 CO 0.00 -0.30 1.26 1.03 -0.33 0.00 0.00 177.00 178.66 2wa3 s ARG 17 N -0.26 4.43 -0.37 5.54 0.52 -1.26 -4.90 118.95 122.65 2wa3 s ARG 17 Ca 0.57 1.99 -0.20 0.00 -0.52 0.00 0.00 55.73 57.57 2wa3 s ARG 17 Cb -0.38 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 31.89 2wa3 s ARG 17 CO 0.40 -0.17 0.62 -1.21 0.02 0.00 0.00 175.30 174.96 2wa3 s GLU 18 N -0.30 3.58 0.63 3.54 0.41 -1.26 -1.82 118.70 123.48 2wa3 s GLU 18 Ca 0.54 -0.07 -0.18 0.00 -0.41 0.00 0.00 54.97 54.85 2wa3 s GLU 18 Cb -0.35 -3.84 -0.02 0.00 -1.78 0.00 0.00 34.13 28.14 2wa3 s GLU 18 CO 0.39 -0.79 1.26 0.39 -0.49 0.00 0.00 175.26 176.02 2wa3 n GLU 19 N 6.06 1.15 -1.90 1.61 1.02 -1.22 -4.98 120.64 122.39 2wa3 n GLU 19 Ca -0.02 0.45 -0.38 0.00 -0.02 0.00 0.00 57.16 57.19 2wa3 n GLU 19 Cb 0.48 -2.49 0.03 0.00 -0.02 0.00 0.00 31.44 29.44 2wa3 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wa3 s ALA 20 N -1.39 2.76 -0.06 0.62 0.00 -1.26 -3.39 121.76 119.04 2wa3 s ALA 20 Ca 0.81 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2wa3 s ALA 20 Cb -0.39 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2wa3 s ALA 20 CO 0.42 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2wa3 n GLY 21 N 0.66 0.40 2.58 0.00 0.00 -1.26 -4.26 105.19 103.31 2wa3 n GLY 21 Ca 0.11 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 2wa3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wa3 n ALA 22 N 0.29 -0.18 0.53 4.61 0.00 -1.22 -4.87 120.51 119.67 2wa3 n ALA 22 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wa3 n ALA 22 Cb 0.19 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2wa3 n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wa3 n LEU 23 N -1.41 0.01 0.00 0.00 4.77 -1.25 -4.92 117.00 114.21 2wa3 n LEU 23 Ca -0.12 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2wa3 n LEU 23 Cb 0.54 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wa3 n LEU 23 CO 0.18 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2wa3 n GLY 24 N -0.20 -1.49 3.76 -0.72 0.00 -1.26 -4.81 105.19 100.46 2wa3 n GLY 24 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2wa3 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wa3 s PRO 25 N -1.52 4.12 0.16 1.61 0.04 -1.26 -3.37 135.00 134.77 2wa3 s PRO 25 Ca 0.00 2.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.50 2wa3 s PRO 25 Cb 0.00 -3.00 0.04 0.00 0.04 0.00 0.00 34.50 31.58 2wa3 s PRO 25 CO 0.00 -0.60 1.63 0.00 0.04 0.00 0.00 177.00 178.07 2wa3 h ALA 26 N 4.13 0.72 -2.59 8.56 0.00 -1.68 -3.47 119.26 124.95 2wa3 h ALA 26 Ca -0.48 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 53.96 2wa3 h ALA 26 Cb 1.23 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 2wa3 h ALA 26 CO 0.73 0.52 -0.53 1.67 0.00 0.00 0.00 179.25 181.65 2wa3 s TRP 27 N -5.07 0.89 0.36 0.00 1.48 -1.26 -5.10 118.94 110.23 2wa3 s TRP 27 Ca -0.12 -1.18 0.04 0.00 -1.06 0.00 0.00 56.10 53.77 2wa3 s TRP 27 Cb 0.12 -0.38 -0.05 0.00 -1.16 0.00 0.00 33.47 32.00 2wa3 s TRP 27 CO 0.83 -0.67 0.08 0.16 -4.06 0.00 0.00 176.95 173.29 2wa3 s ASP 28 N -3.09 2.56 0.49 -2.66 1.47 -1.26 -4.76 116.67 109.42 2wa3 s ASP 28 Ca 0.30 -1.48 0.25 0.00 1.18 0.00 0.00 52.55 52.80 2wa3 s ASP 28 Cb 0.06 0.12 1.30 0.00 -0.34 0.00 0.00 42.92 44.06 2wa3 s ASP 28 CO 0.08 -0.72 2.02 -0.33 0.68 0.00 0.00 175.17 176.90 2wa3 h GLU 29 N 1.99 0.00 0.00 2.11 4.39 -2.02 -1.97 114.58 119.07 2wa3 h GLU 29 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2wa3 h GLU 29 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2wa3 h GLU 29 CO 0.66 0.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.54 2wa3 n SER 30 N -3.73 0.16 -0.66 1.42 3.41 -1.26 -1.26 113.62 111.71 2wa3 n SER 30 Ca -0.02 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 2wa3 n SER 30 Cb 0.27 -0.58 0.29 0.00 -0.26 0.00 0.00 64.21 63.93 2wa3 n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wa3 n GLN 31 N -1.69 1.86 -4.27 4.33 6.02 -0.74 -4.88 117.38 118.00 2wa3 n GLN 31 Ca 0.02 -1.30 -0.35 0.00 -0.01 0.00 0.00 57.00 55.35 2wa3 n GLN 31 Cb 0.12 -1.38 -0.09 0.00 1.02 0.00 0.00 30.24 29.91 2wa3 n GLN 31 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wa3 s LEU 32 N -1.37 3.69 0.74 1.08 1.43 -0.39 -2.20 118.68 121.66 2wa3 s LEU 32 Ca 0.31 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2wa3 s LEU 32 Cb 0.17 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2wa3 s LEU 32 CO 0.24 0.34 1.08 -0.13 0.23 0.00 0.00 176.35 178.11 2wa3 s ARG 33 N -0.67 2.58 0.05 1.70 0.52 -1.26 -5.04 118.95 116.82 2wa3 s ARG 33 Ca 0.11 0.82 0.08 0.00 -0.52 0.00 0.00 55.73 56.21 2wa3 s ARG 33 Cb -0.12 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 2wa3 s ARG 33 CO 0.02 -1.32 -0.20 -1.54 0.02 0.00 0.00 175.30 172.29 2wa3 s SER 34 N -3.85 3.70 0.36 0.23 1.04 -1.26 -5.12 113.70 108.81 2wa3 s SER 34 Ca 0.59 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.60 2wa3 s SER 34 Cb -0.14 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.40 2wa3 s SER 34 CO 0.55 0.25 0.19 -0.31 0.98 0.00 0.00 173.24 174.90 2wa3 s TYR 35 N -0.93 1.73 -1.98 5.02 2.02 -1.26 -4.95 117.35 116.99 2wa3 s TYR 35 Ca 0.14 -1.46 0.26 0.00 -0.37 0.00 0.00 57.07 55.65 2wa3 s TYR 35 Cb -0.10 -0.92 0.74 0.00 -0.40 0.00 0.00 41.96 41.27 2wa3 s TYR 35 CO 0.05 -0.57 1.56 -1.13 -1.57 0.00 0.00 175.55 173.89 2wa3 n SER 36 N -1.34 1.28 -4.34 2.29 3.41 -1.26 -4.93 113.62 108.73 2wa3 n SER 36 Ca 0.01 -1.11 -0.22 0.00 -0.26 0.00 0.00 58.87 57.29 2wa3 n SER 36 Cb 0.64 0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 2wa3 n SER 36 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2wa3 s PHE 37 N -2.37 1.84 0.53 7.33 -0.12 -1.26 -5.09 117.98 118.83 2wa3 s PHE 37 Ca 0.27 -0.47 -0.08 0.00 -0.05 0.00 0.00 56.93 56.60 2wa3 s PHE 37 Cb 0.20 -0.91 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 2wa3 s PHE 37 CO 0.48 0.35 0.87 -1.25 -0.05 0.00 0.00 175.22 175.62 2wa3 s PRO 38 N -2.89 3.58 0.05 1.99 0.04 -1.26 -4.94 135.00 131.57 2wa3 s PRO 38 Ca 0.17 0.41 -0.02 0.00 0.04 0.00 0.00 61.00 61.61 2wa3 s PRO 38 Cb -0.05 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2wa3 s PRO 38 CO 0.07 -0.33 -0.01 0.95 0.04 0.00 0.00 177.00 177.73 2wa3 s THR 39 N -2.88 0.20 0.23 1.26 -4.23 -1.26 -1.85 115.64 107.11 2wa3 s THR 39 Ca 0.50 -1.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.46 2wa3 s THR 39 Cb -0.11 -1.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 2wa3 s THR 39 CO 0.47 -0.91 -0.16 -0.13 -0.54 0.00 0.00 174.62 173.35 2wa3 s ARG 40 N -3.62 1.44 0.16 3.99 1.81 0.10 -4.93 118.95 117.89 2wa3 s ARG 40 Ca 0.04 -1.64 -0.27 0.00 -1.72 0.00 0.00 55.73 52.14 2wa3 s ARG 40 Cb 0.06 -1.33 -0.08 0.00 -0.45 0.00 0.00 34.95 33.15 2wa3 s ARG 40 CO -0.09 0.23 0.84 -2.14 -0.68 0.00 0.00 175.30 173.46 2wa3 s PRO 41 N -3.58 4.65 0.20 3.54 0.02 -1.26 -0.60 135.00 137.97 2wa3 s PRO 41 Ca 0.25 1.27 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 2wa3 s PRO 41 Cb -0.02 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.12 2wa3 s PRO 41 CO 0.09 0.48 1.26 0.42 -0.33 0.00 0.00 177.00 178.92 2wa3 s ILE 42 N -0.88 3.34 0.28 2.83 1.01 -0.65 -4.80 121.20 122.34 2wa3 s ILE 42 Ca 0.39 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.88 2wa3 s ILE 42 Cb -0.24 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 2wa3 s ILE 42 CO 0.28 0.18 1.20 -2.16 0.00 0.00 0.00 174.94 174.44 2wa3 s PRO 43 N -0.29 4.51 -0.30 2.79 0.04 -1.26 -4.83 135.00 135.65 2wa3 s PRO 43 Ca 0.54 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.44 2wa3 s PRO 43 Cb -0.35 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 2wa3 s PRO 43 CO 0.38 0.01 0.24 1.03 0.04 0.00 0.00 177.00 178.71 2wa3 s ARG 44 N -1.38 3.78 0.22 4.56 0.52 -1.26 -1.37 118.95 124.03 2wa3 s ARG 44 Ca 0.48 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 55.32 2wa3 s ARG 44 Cb -0.35 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 2wa3 s ARG 44 CO 0.45 -0.31 0.04 -0.51 0.02 0.00 0.00 175.30 174.99 2wa3 s LEU 45 N 1.81 1.92 0.36 2.53 1.43 0.15 -4.98 118.68 121.90 2wa3 s LEU 45 Ca 0.08 -1.28 -0.19 0.00 -1.03 0.00 0.00 54.13 51.71 2wa3 s LEU 45 Cb -0.16 -0.07 -0.10 0.00 0.03 0.00 0.00 46.19 45.89 2wa3 s LEU 45 CO 0.11 -0.63 0.84 -0.55 0.23 0.00 0.00 176.35 176.35 2wa3 s SER 46 N -3.27 6.91 0.48 2.29 0.15 -1.26 -1.26 113.70 117.75 2wa3 s SER 46 Ca 0.31 1.50 0.28 0.00 0.70 0.00 0.00 55.95 58.74 2wa3 s SER 46 Cb 0.07 -2.46 1.04 0.00 -1.71 0.00 0.00 66.02 62.96 2wa3 s SER 46 CO 0.09 -0.24 1.87 -0.61 1.20 0.00 0.00 173.24 175.55 2wa3 h GLN 47 N 2.28 0.00 -0.01 5.44 -0.00 -1.94 0.43 115.11 121.30 2wa3 h GLN 47 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2wa3 h GLN 47 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.66 2wa3 h GLN 47 CO 0.63 0.12 0.00 -1.13 0.00 0.00 0.00 178.83 178.45 2wa3 n SER 48 N -3.24 0.88 -4.69 -0.69 3.41 -1.26 -4.86 113.62 103.17 2wa3 n SER 48 Ca 0.01 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.89 2wa3 n SER 48 Cb 0.39 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2wa3 n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wa3 s ASP 49 N -1.97 7.10 0.52 4.04 -1.08 0.14 -4.95 116.67 120.47 2wa3 s ASP 49 Ca 0.41 1.35 0.24 0.00 -0.52 0.00 0.00 52.55 54.04 2wa3 s ASP 49 Cb 0.21 -2.50 1.42 0.00 -1.46 0.00 0.00 42.92 40.59 2wa3 s ASP 49 CO 0.34 -0.36 2.09 -0.65 0.52 0.00 0.00 175.17 177.12 2wa3 h PRO 50 N 7.11 0.00 -0.19 4.34 0.11 -1.89 -0.60 132.00 140.88 2wa3 h PRO 50 Ca -0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 2wa3 h PRO 50 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wa3 h PRO 50 CO 0.82 0.11 -0.03 0.00 -0.21 0.00 0.00 178.00 178.69 2wa3 h ARG 51 N 0.00 0.28 -0.37 1.05 3.08 -1.93 -0.62 114.38 115.87 2wa3 h ARG 51 Ca -0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2wa3 h ARG 51 Cb 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2wa3 h ARG 51 CO 0.01 0.33 -0.18 0.00 -1.07 0.00 0.00 179.97 179.07 2wa3 h ALA 52 N 1.70 0.99 -0.12 0.04 0.00 -1.39 -1.57 119.26 118.91 2wa3 h ALA 52 Ca 0.06 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 2wa3 h ALA 52 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wa3 h ALA 52 CO 0.01 0.60 -0.74 1.49 0.00 0.00 0.00 179.25 180.60 2wa3 h GLU 53 N 0.62 0.58 -0.02 0.00 4.57 -1.24 -2.28 114.58 116.80 2wa3 h GLU 53 Ca 0.10 -0.47 0.03 0.00 -1.18 0.00 0.00 59.36 57.83 2wa3 h GLU 53 Cb 0.65 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 2wa3 h GLU 53 CO 0.05 1.09 -0.16 1.49 -1.18 0.00 0.00 179.01 180.30 2wa3 h GLU 54 N 0.40 -0.24 -0.24 1.92 4.81 -1.04 -2.04 114.58 118.15 2wa3 h GLU 54 Ca -0.04 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2wa3 h GLU 54 Cb 1.34 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.73 2wa3 h GLU 54 CO 0.14 -0.16 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.17 2wa3 h LEU 55 N -0.25 -0.14 -1.24 1.64 3.38 -1.17 -1.01 115.31 116.52 2wa3 h LEU 55 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2wa3 h LEU 55 Cb 0.33 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2wa3 h LEU 55 CO -0.17 -0.04 0.21 0.40 0.09 0.00 0.00 178.44 178.93 2wa3 h ILE 56 N 0.05 1.19 0.00 1.22 2.04 -1.37 -0.91 117.51 119.72 2wa3 h ILE 56 Ca 0.11 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 2wa3 h ILE 56 Cb 0.16 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2wa3 h ILE 56 CO -0.21 0.23 -0.54 -0.08 0.00 0.00 0.00 178.15 177.54 2wa3 h GLU 57 N 0.73 0.00 -0.45 2.37 4.57 -0.98 -2.09 114.58 118.73 2wa3 h GLU 57 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2wa3 h GLU 57 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2wa3 h GLU 57 CO -0.02 0.54 0.00 0.09 -1.18 0.00 0.00 179.01 178.44 2wa3 n ASN 58 N -3.33 2.78 -3.54 1.04 4.13 -0.42 -4.97 115.26 110.95 2wa3 n ASN 58 Ca 0.01 -1.95 -0.22 0.00 1.68 0.00 0.00 54.58 54.10 2wa3 n ASN 58 Cb 0.70 -0.29 0.05 0.00 -1.54 0.00 0.00 39.78 38.70 2wa3 n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2wa3 n GLU 59 N 1.03 -3.04 -4.31 3.52 1.02 -0.68 -5.01 120.64 113.16 2wa3 n GLU 59 Ca 0.18 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.78 2wa3 n GLU 59 Cb 0.46 -5.08 -0.13 0.00 -0.02 0.00 0.00 31.44 26.67 2wa3 n GLU 59 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wa3 s GLU 60 N -5.46 0.93 0.55 3.49 2.02 -0.44 -4.87 118.70 114.93 2wa3 s GLU 60 Ca 0.29 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 54.24 2wa3 s GLU 60 Cb -0.07 -0.96 -0.05 0.00 0.10 0.00 0.00 34.13 33.15 2wa3 s GLU 60 CO 0.80 0.23 1.19 -1.25 0.02 0.00 0.00 175.26 176.25 2wa3 s PRO 61 N -1.33 3.23 -0.04 0.39 0.04 -1.26 -4.17 135.00 131.85 2wa3 s PRO 61 Ca 0.01 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 2wa3 s PRO 61 Cb -0.09 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2wa3 s PRO 61 CO 0.02 -0.99 0.33 0.54 0.04 0.00 0.00 177.00 176.94 2wa3 s VAL 62 N -1.61 0.04 -0.28 -0.36 0.11 -1.24 -4.63 120.40 112.44 2wa3 s VAL 62 Ca 0.73 -0.36 -0.09 0.00 -2.93 0.00 0.00 61.98 59.33 2wa3 s VAL 62 Cb -0.29 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2wa3 s VAL 62 CO 0.33 -0.20 0.12 -0.69 -3.33 0.00 0.00 175.10 171.32 2wa3 s VAL 63 N -1.03 4.53 -0.29 2.04 1.01 -0.47 -1.74 120.40 124.45 2wa3 s VAL 63 Ca -0.11 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2wa3 s VAL 63 Cb -0.04 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2wa3 s VAL 63 CO 0.04 0.22 0.50 -0.76 0.00 0.00 0.00 175.10 175.10 2wa3 s LEU 64 N 1.63 4.15 0.04 3.92 1.43 -0.29 0.29 118.68 129.85 2wa3 s LEU 64 Ca 0.06 0.31 0.25 0.00 -1.03 0.00 0.00 54.13 53.71 2wa3 s LEU 64 Cb -0.16 -2.62 0.47 0.00 0.03 0.00 0.00 46.19 43.91 2wa3 s LEU 64 CO 0.05 -0.35 1.39 0.35 0.23 0.00 0.00 176.35 178.03 2wa3 n THR 65 N 5.26 0.11 -2.70 5.49 -2.24 -0.39 -1.91 114.28 117.90 2wa3 n THR 65 Ca -0.05 -0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 2wa3 n THR 65 Cb 0.50 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 2wa3 n THR 65 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wa3 n ASP 66 N -1.69 1.26 0.21 3.42 5.75 -1.26 -4.59 116.55 119.64 2wa3 n ASP 66 Ca 0.05 -2.02 0.10 0.00 -0.01 0.00 0.00 54.79 52.91 2wa3 n ASP 66 Cb 0.37 -0.38 0.16 0.00 -1.03 0.00 0.00 41.12 40.24 2wa3 n ASP 66 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2wa3 h THR 67 N 6.07 0.18 -3.31 2.12 1.35 -1.81 -3.45 112.91 114.07 2wa3 h THR 67 Ca -0.19 -1.23 -0.33 0.00 -0.55 0.00 0.00 66.41 64.11 2wa3 h THR 67 Cb 1.50 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 69.97 2wa3 h THR 67 CO 0.14 0.10 -0.42 0.59 -0.25 0.00 0.00 175.52 175.68 2wa3 n ASN 68 N -3.13 -4.88 -0.03 5.36 4.13 -1.26 -4.88 115.26 110.56 2wa3 n ASN 68 Ca 0.03 0.11 -0.11 0.00 1.68 0.00 0.00 54.58 56.29 2wa3 n ASN 68 Cb 0.56 -4.11 -0.05 0.00 -1.54 0.00 0.00 39.78 34.64 2wa3 n ASN 68 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2wa3 h LEU 69 N 0.00 0.20 -3.49 3.41 5.85 -1.91 -2.87 115.31 116.50 2wa3 h LEU 69 Ca -0.39 -0.14 -0.33 0.00 0.84 0.00 0.00 57.88 57.85 2wa3 h LEU 69 Cb 1.28 -0.05 -0.23 0.00 0.37 0.00 0.00 40.66 42.03 2wa3 h LEU 69 CO 0.47 0.29 -0.35 1.33 -0.34 0.00 0.00 178.44 179.84 2wa3 n VAL 70 N -4.89 2.59 -0.36 1.05 0.24 -1.26 -0.15 118.33 115.54 2wa3 n VAL 70 Ca -0.05 -3.43 0.03 0.00 -2.04 0.00 0.00 64.34 58.85 2wa3 n VAL 70 Cb 0.11 -0.70 0.10 0.00 -1.47 0.00 0.00 33.84 31.88 2wa3 n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wa3 n TYR 71 N -0.95 0.22 0.42 6.34 9.36 -1.08 -0.60 117.16 130.86 2wa3 n TYR 71 Ca 0.37 1.20 0.12 0.00 3.32 0.00 0.00 57.90 62.91 2wa3 n TYR 71 Cb 0.90 -0.98 0.47 0.00 -0.63 0.00 0.00 39.34 39.10 2wa3 n TYR 71 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2wa3 n PRO 72 N -5.54 0.18 0.00 2.98 -0.02 -1.26 -1.48 135.00 129.87 2wa3 n PRO 72 Ca 0.13 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 2wa3 n PRO 72 Cb 0.45 -1.84 0.52 0.00 -0.02 0.00 0.00 33.50 32.62 2wa3 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wa3 n ALA 73 N -1.75 2.86 0.25 3.55 0.00 0.23 -3.86 120.51 121.79 2wa3 n ALA 73 Ca 0.02 -0.27 0.17 0.00 0.00 0.00 0.00 53.44 53.37 2wa3 n ALA 73 Cb 0.23 -1.30 0.89 0.00 0.00 0.00 0.00 19.45 19.28 2wa3 n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wa3 h LEU 74 N 0.43 0.00 -0.36 0.00 3.38 -1.24 0.57 115.31 118.09 2wa3 h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wa3 h LEU 74 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2wa3 h LEU 74 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.60 2wa3 h LYS 75 N 0.00 0.00 -6.70 1.13 2.10 -1.79 -3.47 116.57 107.83 2wa3 h LYS 75 Ca 0.05 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.13 2wa3 h LYS 75 Cb 0.34 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.78 2wa3 h LYS 75 CO -0.00 0.00 0.55 0.91 -2.00 0.00 0.00 179.45 178.91 2wa3 n TRP 76 N -2.50 2.27 -3.48 0.07 8.01 0.19 -4.91 117.44 117.08 2wa3 n TRP 76 Ca 0.04 0.51 -0.00 0.00 -1.31 0.00 0.00 57.50 56.73 2wa3 n TRP 76 Cb 0.38 -2.43 -0.00 0.00 -2.01 0.00 0.00 31.31 27.24 2wa3 n TRP 76 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2wa3 n ASP 77 N 1.22 -0.05 -0.01 -0.99 3.85 -1.26 -4.89 116.55 114.40 2wa3 n ASP 77 Ca 0.07 -1.06 -0.11 0.00 -0.71 0.00 0.00 54.79 52.97 2wa3 n ASP 77 Cb 0.35 0.10 0.02 0.00 -1.35 0.00 0.00 41.12 40.23 2wa3 n ASP 77 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2wa3 h LEU 78 N 0.00 0.72 0.67 -2.12 3.38 -1.99 -1.53 115.31 114.45 2wa3 h LEU 78 Ca -0.01 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2wa3 h LEU 78 Cb 0.04 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2wa3 h LEU 78 CO 0.01 1.14 -0.32 -0.08 0.09 0.00 0.00 178.44 179.28 2wa3 h GLU 79 N 0.48 -0.87 -0.74 1.13 4.81 -1.98 -1.07 114.58 116.35 2wa3 h GLU 79 Ca 0.00 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.46 2wa3 h GLU 79 Cb 1.15 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.61 2wa3 h GLU 79 CO 0.11 -0.57 0.14 -0.92 -0.73 0.00 0.00 179.01 177.05 2wa3 h TYR 80 N -1.23 0.21 -0.52 0.92 3.20 -1.91 -1.54 116.97 116.10 2wa3 h TYR 80 Ca -0.09 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 2wa3 h TYR 80 Cb 0.70 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2wa3 h TYR 80 CO 0.00 -0.13 0.03 -0.07 -1.64 0.00 0.00 178.16 176.36 2wa3 h LEU 81 N 0.23 0.87 -0.87 2.82 3.38 -1.24 -2.44 115.31 118.05 2wa3 h LEU 81 Ca 0.42 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2wa3 h LEU 81 Cb 0.73 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2wa3 h LEU 81 CO -0.55 0.95 0.40 -0.61 0.09 0.00 0.00 178.44 178.72 2wa3 h GLN 82 N 0.77 1.21 -0.82 1.13 4.15 -0.62 0.58 115.11 121.51 2wa3 h GLN 82 Ca 0.15 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2wa3 h GLN 82 Cb 0.48 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2wa3 h GLN 82 CO 0.02 0.93 0.52 1.49 -1.93 0.00 0.00 178.83 179.86 2wa3 h GLU 83 N 1.20 1.10 -0.00 1.69 4.57 -1.12 -3.39 114.58 118.63 2wa3 h GLU 83 Ca 0.29 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2wa3 h GLU 83 Cb 0.13 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2wa3 h GLU 83 CO -0.04 0.75 -0.16 0.09 -1.18 0.00 0.00 179.01 178.47 2wa3 n ASN 84 N -4.39 0.33 0.11 1.04 3.02 -0.74 -4.73 115.26 109.91 2wa3 n ASN 84 Ca 0.09 -0.67 -0.24 0.00 -0.03 0.00 0.00 54.58 53.74 2wa3 n ASN 84 Cb 0.05 0.87 -0.15 0.00 -0.61 0.00 0.00 39.78 39.94 2wa3 n ASN 84 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2wa3 h ILE 85 N 0.11 1.19 0.00 2.41 2.10 -1.10 -2.96 117.51 119.25 2wa3 h ILE 85 Ca 0.00 -2.62 0.00 0.00 1.08 0.00 0.00 64.86 63.32 2wa3 h ILE 85 Cb 0.10 2.97 0.00 0.00 -1.09 0.00 0.00 36.82 38.80 2wa3 h ILE 85 CO 0.00 0.81 0.00 0.61 -1.08 0.00 0.00 178.15 178.49 2wa3 n GLY 86 N 1.76 0.24 2.13 8.18 0.00 -1.26 -0.41 105.19 115.83 2wa3 n GLY 86 Ca -0.19 -2.30 -0.26 0.00 0.00 0.00 0.00 46.02 43.26 2wa3 n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wa3 n ASN 87 N 0.00 5.38 -4.77 1.61 0.23 -1.26 -4.68 115.26 111.76 2wa3 n ASN 87 Ca 0.00 -3.72 -0.30 0.00 -0.53 0.00 0.00 54.58 50.03 2wa3 n ASN 87 Cb 0.00 -0.84 0.11 0.00 -2.08 0.00 0.00 39.78 36.97 2wa3 n ASN 87 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2wa3 s GLY 88 N -1.85 1.62 -0.20 4.83 0.00 -1.26 -4.93 107.32 105.52 2wa3 s GLY 88 Ca 0.59 -0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 2wa3 s GLY 88 CO 0.04 0.27 1.09 0.99 0.00 0.00 0.00 173.10 175.49 2wa3 s ASP 89 N -3.75 7.08 -0.25 1.64 1.01 -1.26 -4.20 116.67 116.94 2wa3 s ASP 89 Ca 0.62 1.48 -0.08 0.00 0.71 0.00 0.00 52.55 55.28 2wa3 s ASP 89 Cb -0.16 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 2wa3 s ASP 89 CO 0.55 -0.67 0.09 -0.36 0.21 0.00 0.00 175.17 174.99 2wa3 s PHE 90 N 3.11 3.11 0.28 4.23 0.40 0.26 -4.89 117.98 124.49 2wa3 s PHE 90 Ca 0.47 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 2wa3 s PHE 90 Cb -0.17 -2.25 -0.12 0.00 0.51 0.00 0.00 43.02 40.99 2wa3 s PHE 90 CO 0.10 -0.30 1.59 0.43 0.70 0.00 0.00 175.22 177.74 2wa3 n SER 91 N 4.86 3.80 -3.59 1.36 7.64 -1.26 -2.56 113.62 123.87 2wa3 n SER 91 Ca -0.16 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.63 2wa3 n SER 91 Cb 0.52 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 61.97 2wa3 n SER 91 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2wa3 s VAL 92 N 0.07 -0.15 0.48 0.44 1.01 0.22 -2.80 120.40 119.66 2wa3 s VAL 92 Ca 0.65 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 2wa3 s VAL 92 Cb -0.51 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2wa3 s VAL 92 CO 0.48 -0.20 0.77 -0.31 0.00 0.00 0.00 175.10 175.83 2wa3 s TYR 93 N 2.19 3.54 0.06 5.22 2.02 0.05 -0.83 117.35 129.60 2wa3 s TYR 93 Ca 0.03 0.76 0.04 0.00 -0.37 0.00 0.00 57.07 57.54 2wa3 s TYR 93 Cb -0.15 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 2wa3 s TYR 93 CO -0.09 -0.27 -0.13 -1.54 -1.57 0.00 0.00 175.55 171.95 2wa3 s SER 94 N -4.11 1.48 -0.05 2.29 1.04 -0.98 -1.87 113.70 111.50 2wa3 s SER 94 Ca 0.47 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 2wa3 s SER 94 Cb -0.10 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.02 2wa3 s SER 94 CO 0.44 -0.07 0.49 0.00 0.98 0.00 0.00 173.24 175.08 2wa3 s ALA 95 N -1.15 -1.25 -0.56 5.32 0.00 -0.47 -3.92 121.76 119.72 2wa3 s ALA 95 Ca -0.03 0.85 0.24 0.00 0.00 0.00 0.00 51.96 53.03 2wa3 s ALA 95 Cb -0.09 -0.04 0.38 0.00 0.00 0.00 0.00 23.12 23.37 2wa3 s ALA 95 CO 0.02 -0.31 1.41 0.66 0.00 0.00 0.00 175.76 177.54 2wa3 h SER 96 N 3.63 0.00 -0.90 0.00 4.64 -1.85 -1.56 113.55 117.50 2wa3 h SER 96 Ca -0.28 -0.10 -0.61 0.00 -0.47 0.00 0.00 61.79 60.32 2wa3 h SER 96 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2wa3 h SER 96 CO 0.38 0.05 -0.45 0.28 -0.87 0.00 0.00 176.83 176.22 2wa3 s THR 97 N -3.19 1.74 -0.88 2.95 -1.32 -1.26 -4.37 115.64 109.31 2wa3 s THR 97 Ca 0.06 -1.74 0.16 0.00 -1.21 0.00 0.00 61.69 58.96 2wa3 s THR 97 Cb 0.11 -2.48 0.14 0.00 -1.51 0.00 0.00 72.50 68.77 2wa3 s THR 97 CO 0.70 0.00 1.50 0.00 -2.21 0.00 0.00 174.62 174.61 2wa3 n HIS 98 N -1.40 0.19 -3.83 9.09 -0.00 -1.26 -4.74 115.22 113.27 2wa3 n HIS 98 Ca -0.07 0.07 -0.36 0.00 -0.00 0.00 0.00 57.72 57.37 2wa3 n HIS 98 Cb 0.65 -0.62 -0.11 0.00 -0.00 0.00 0.00 29.99 29.92 2wa3 n HIS 98 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2wa3 s LYS 99 N -3.08 3.88 0.13 -1.40 2.20 -1.26 -0.16 119.74 120.05 2wa3 s LYS 99 Ca 0.06 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 2wa3 s LYS 99 Cb 0.09 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2wa3 s LYS 99 CO 0.28 0.03 0.28 -0.06 -0.36 0.00 0.00 175.35 175.52 2wa3 s PHE 100 N 1.06 3.49 -0.07 4.03 0.40 -0.87 -4.86 117.98 121.17 2wa3 s PHE 100 Ca 0.05 0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.56 2wa3 s PHE 100 Cb -0.14 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.70 2wa3 s PHE 100 CO 0.04 0.52 0.02 -0.51 0.70 0.00 0.00 175.22 175.99 2wa3 s LEU 101 N -3.02 0.48 -0.06 -0.37 1.43 -1.26 -4.38 118.68 111.50 2wa3 s LEU 101 Ca 0.35 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 2wa3 s LEU 101 Cb -0.12 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 2wa3 s LEU 101 CO 0.28 -0.22 0.40 -0.31 0.23 0.00 0.00 176.35 176.73 2wa3 s TYR 102 N 2.03 3.62 0.04 0.29 2.02 -1.26 -4.49 117.35 119.60 2wa3 s TYR 102 Ca 0.05 0.89 0.05 0.00 -0.37 0.00 0.00 57.07 57.68 2wa3 s TYR 102 Cb -0.12 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 2wa3 s TYR 102 CO -0.05 0.45 -0.10 0.71 -1.57 0.00 0.00 175.55 174.99 2wa3 s TYR 103 N -0.35 2.78 -0.36 2.71 1.51 -1.26 -4.51 117.35 117.87 2wa3 s TYR 103 Ca 0.23 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.99 2wa3 s TYR 103 Cb -0.16 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2wa3 s TYR 103 CO 0.11 0.36 0.52 0.34 -1.11 0.00 0.00 175.55 175.77 2wa3 s ASP 104 N -1.61 6.32 0.46 2.29 -1.08 -0.60 -4.94 116.67 117.50 2wa3 s ASP 104 Ca 0.18 -0.07 0.26 0.00 -0.52 0.00 0.00 52.55 52.39 2wa3 s ASP 104 Cb -0.11 -2.27 0.81 0.00 -1.46 0.00 0.00 42.92 39.89 2wa3 s ASP 104 CO 0.09 -0.51 1.78 -0.33 0.52 0.00 0.00 175.17 176.71 2wa3 h GLU 105 N 8.50 0.00 -0.25 4.34 5.08 -1.98 -1.67 114.58 128.60 2wa3 h GLU 105 Ca -0.28 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 2wa3 h GLU 105 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2wa3 h GLU 105 CO 0.78 0.11 -0.47 0.87 -1.00 0.00 0.00 179.01 179.31 2wa3 h LYS 106 N 0.00 0.65 0.00 2.33 1.57 -1.99 -3.04 116.57 116.09 2wa3 h LYS 106 Ca -0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2wa3 h LYS 106 Cb 0.81 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2wa3 h LYS 106 CO 0.01 0.98 0.00 1.63 -0.57 0.00 0.00 179.45 181.51 2wa3 n LYS 107 N -4.00 0.63 0.09 3.15 5.02 -0.63 -3.66 118.16 118.75 2wa3 n LYS 107 Ca -0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 2wa3 n LYS 107 Cb 0.57 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2wa3 n LYS 107 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2wa3 h MET 108 N 0.00 0.15 -0.58 1.97 2.86 -1.56 -3.17 114.93 114.61 2wa3 h MET 108 Ca 0.00 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2wa3 h MET 108 Cb 0.00 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 2wa3 h MET 108 CO 0.00 0.97 -0.34 0.00 1.06 0.00 0.00 176.91 178.60 2wa3 n ALA 109 N -2.45 -0.37 -0.40 6.32 0.00 -1.24 -3.50 120.51 118.88 2wa3 n ALA 109 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2wa3 n ALA 109 Cb 0.84 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.42 2wa3 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wa3 n ASN 110 N -4.30 0.00 -4.52 0.00 3.02 -1.20 -4.20 115.26 104.06 2wa3 n ASN 110 Ca 0.01 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 2wa3 n ASN 110 Cb 0.15 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 2wa3 n ASN 110 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wa3 s PHE 111 N -0.05 2.52 0.08 3.10 0.40 -1.23 -4.88 117.98 117.92 2wa3 s PHE 111 Ca 0.00 -0.52 -0.27 0.00 -0.60 0.00 0.00 56.93 55.54 2wa3 s PHE 111 Cb 0.00 -4.55 -0.11 0.00 0.51 0.00 0.00 43.02 38.87 2wa3 s PHE 111 CO 0.00 -1.90 1.43 1.96 0.70 0.00 0.00 175.22 177.42 2wa3 h GLN 112 N 9.75 -0.53 -3.34 0.44 1.08 -1.81 -3.27 115.11 117.43 2wa3 h GLN 112 Ca -0.09 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2wa3 h GLN 112 Cb 1.04 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2wa3 h GLN 112 CO 1.29 -0.36 0.52 -1.71 -0.95 0.00 0.00 178.83 177.62 2wa3 n ASN 113 N -4.81 0.00 -3.71 1.46 5.15 -1.26 -4.70 115.26 107.39 2wa3 n ASN 113 Ca -0.06 -1.33 -0.11 0.00 -0.60 0.00 0.00 54.58 52.47 2wa3 n ASN 113 Cb 0.32 -0.13 -0.11 0.00 -0.53 0.00 0.00 39.78 39.32 2wa3 n ASN 113 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2wa3 s PHE 114 N 2.93 -0.53 -0.01 1.20 5.36 -1.24 -5.15 117.98 120.55 2wa3 s PHE 114 Ca 0.00 1.17 0.02 0.00 -0.96 0.00 0.00 56.93 57.16 2wa3 s PHE 114 Cb 0.00 0.21 -0.00 0.00 -0.34 0.00 0.00 43.02 42.89 2wa3 s PHE 114 CO 0.00 -0.29 -0.06 0.15 -1.46 0.00 0.00 175.22 173.56 2wa3 s LYS 115 N 1.06 0.48 0.23 10.12 3.01 -1.26 -5.12 119.74 128.26 2wa3 s LYS 115 Ca -0.07 -0.20 -0.31 0.00 -1.01 0.00 0.00 55.97 54.38 2wa3 s LYS 115 Cb -0.07 -0.46 -0.14 0.00 -1.01 0.00 0.00 37.83 36.14 2wa3 s LYS 115 CO -0.09 0.12 1.26 -2.30 0.51 0.00 0.00 175.35 174.85 2wa3 n PRO 116 N 2.98 1.64 -0.66 -1.68 -0.02 -1.26 -4.94 135.00 131.07 2wa3 n PRO 116 Ca -0.13 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 2wa3 n PRO 116 Cb 0.58 -2.14 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 2wa3 n PRO 116 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wa3 n ARG 117 N 1.66 0.48 -2.70 -0.52 1.74 -1.26 -4.91 116.66 111.15 2wa3 n ARG 117 Ca 0.12 -1.87 -0.04 0.00 -0.77 0.00 0.00 57.85 55.28 2wa3 n ARG 117 Cb 0.29 -0.74 0.04 0.00 -1.02 0.00 0.00 32.46 31.04 2wa3 n ARG 117 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2wa3 n SER 118 N -0.34 -1.98 -4.79 0.55 7.64 -1.26 -4.75 113.62 108.69 2wa3 n SER 118 Ca 0.07 -1.85 -0.37 0.00 1.01 0.00 0.00 58.87 57.73 2wa3 n SER 118 Cb 0.79 1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 64.99 2wa3 n SER 118 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2wa3 s ASN 119 N 0.27 7.28 0.09 6.43 0.01 -1.25 -4.61 114.94 123.15 2wa3 s ASN 119 Ca 0.27 1.68 -0.31 0.00 -0.71 0.00 0.00 52.86 53.79 2wa3 s ASN 119 Cb 0.14 -2.52 -0.07 0.00 0.41 0.00 0.00 41.25 39.21 2wa3 s ASN 119 CO -0.11 0.02 1.28 -0.60 -1.51 0.00 0.00 177.10 176.18 2wa3 s ARG 120 N -1.84 4.38 -0.06 -0.60 3.52 -1.26 -2.33 118.95 120.77 2wa3 s ARG 120 Ca 0.45 1.91 0.06 0.00 -0.13 0.00 0.00 55.73 58.02 2wa3 s ARG 120 Cb -0.19 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2wa3 s ARG 120 CO 0.24 -0.33 -0.23 -2.00 -0.81 0.00 0.00 175.30 172.17 2wa3 s GLU 121 N 1.01 2.41 0.30 5.12 2.12 -0.01 -4.97 118.70 124.68 2wa3 s GLU 121 Ca 0.61 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.91 2wa3 s GLU 121 Cb -0.33 -2.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.93 2wa3 s GLU 121 CO 0.30 0.34 0.79 -1.21 -0.54 0.00 0.00 175.26 174.95 2wa3 s GLU 122 N -0.10 4.22 0.00 4.30 0.41 -1.26 -0.61 118.70 125.66 2wa3 s GLU 122 Ca -0.04 0.91 -0.30 0.00 -0.41 0.00 0.00 54.97 55.13 2wa3 s GLU 122 Cb -0.13 -2.63 0.11 0.00 -1.78 0.00 0.00 34.13 29.70 2wa3 s GLU 122 CO 0.04 0.25 1.26 0.00 -0.49 0.00 0.00 175.26 176.31 2wa3 s MET 123 N -2.46 0.47 0.22 1.61 0.23 -1.06 -4.96 119.30 113.36 2wa3 s MET 123 Ca 0.50 -0.27 -0.06 0.00 -1.03 0.00 0.00 55.69 54.84 2wa3 s MET 123 Cb -0.14 0.15 -0.06 0.00 -1.53 0.00 0.00 34.83 33.26 2wa3 s MET 123 CO 0.19 -0.22 0.49 0.15 -2.03 0.00 0.00 175.02 173.60 2wa3 s LYS 124 N -2.41 3.66 0.21 3.16 -0.14 -1.26 0.91 119.74 123.86 2wa3 s LYS 124 Ca 0.16 0.00 -0.10 0.00 -1.36 0.00 0.00 55.97 54.68 2wa3 s LYS 124 Cb 0.04 -2.72 0.29 0.00 -1.68 0.00 0.00 37.83 33.75 2wa3 s LYS 124 CO -0.03 0.33 1.72 0.35 -0.76 0.00 0.00 175.35 176.96 2wa3 h PHE 125 N 2.24 0.28 0.00 3.18 3.57 -1.84 -1.49 116.94 122.88 2wa3 h PHE 125 Ca -0.47 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 2wa3 h PHE 125 Cb 1.18 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2wa3 h PHE 125 CO 0.59 0.02 -0.04 1.12 -2.23 0.00 0.00 178.31 177.77 2wa3 h HIS 126 N 0.32 0.00 -0.06 0.41 2.07 -1.92 -0.62 115.15 115.34 2wa3 h HIS 126 Ca 0.31 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.79 2wa3 h HIS 126 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 2wa3 h HIS 126 CO -0.21 0.04 -0.14 0.93 -3.07 0.00 0.00 177.93 175.48 2wa3 h GLU 127 N 0.00 0.20 -0.22 5.12 5.08 -1.68 -2.07 114.58 121.01 2wa3 h GLU 127 Ca -0.00 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2wa3 h GLU 127 Cb 0.09 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2wa3 h GLU 127 CO 0.01 0.73 -0.15 0.35 -1.00 0.00 0.00 179.01 178.94 2wa3 h PHE 128 N -0.31 -0.39 -0.02 4.33 3.57 -1.30 0.13 116.94 122.95 2wa3 h PHE 128 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2wa3 h PHE 128 Cb 0.73 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 2wa3 h PHE 128 CO 0.12 -0.22 0.02 0.28 -2.23 0.00 0.00 178.31 176.27 2wa3 h VAL 129 N -0.15 0.84 0.04 1.41 2.07 -0.94 0.98 116.25 120.51 2wa3 h VAL 129 Ca 0.13 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.35 2wa3 h VAL 129 Cb 0.34 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2wa3 h VAL 129 CO -0.31 0.00 -1.65 -0.33 0.02 0.00 0.00 177.57 175.30 2wa3 h GLU 130 N 0.00 0.09 0.89 1.57 5.08 -1.00 -2.81 114.58 118.41 2wa3 h GLU 130 Ca 0.01 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2wa3 h GLU 130 Cb 0.04 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2wa3 h GLU 130 CO -0.00 0.78 -0.43 0.87 -1.00 0.00 0.00 179.01 179.23 2wa3 h LYS 131 N 0.02 -1.16 -0.82 2.33 1.57 -0.11 -1.06 116.57 117.34 2wa3 h LYS 131 Ca -0.27 0.08 0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2wa3 h LYS 131 Cb 1.99 0.26 -0.14 0.00 0.08 0.00 0.00 32.23 34.42 2wa3 h LYS 131 CO 0.10 -0.77 -0.28 -0.11 -0.57 0.00 0.00 179.45 177.82 2wa3 n LEU 132 N -5.58 -0.45 0.13 2.94 7.94 0.28 -1.00 117.00 121.25 2wa3 n LEU 132 Ca -0.15 1.43 0.06 0.00 -1.11 0.00 0.00 56.01 56.23 2wa3 n LEU 132 Cb 0.48 -0.36 0.03 0.00 0.53 0.00 0.00 43.42 44.09 2wa3 n LEU 132 CO 0.38 -1.31 0.27 1.56 -1.11 0.00 0.00 177.39 177.18 2wa3 h GLN 133 N 0.00 0.00 0.69 1.96 4.20 -1.49 -2.70 115.11 117.77 2wa3 h GLN 133 Ca 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 2wa3 h GLN 133 Cb 0.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.31 2wa3 h GLN 133 CO -0.83 0.23 -0.33 0.22 -0.67 0.00 0.00 178.83 177.45 2wa3 h ASP 134 N 0.00 -0.78 -0.74 1.46 -0.00 0.27 -2.85 116.42 113.78 2wa3 h ASP 134 Ca -0.04 0.03 0.08 0.00 -0.00 0.00 0.00 57.03 57.10 2wa3 h ASP 134 Cb 1.26 0.20 -0.10 0.00 -0.00 0.00 0.00 39.33 40.69 2wa3 h ASP 134 CO 0.03 -0.46 -0.40 -0.38 -0.00 0.00 0.00 179.24 178.03 2wa3 n ILE 135 N -5.04 -0.48 -0.30 2.25 5.41 -0.17 0.31 119.36 121.35 2wa3 n ILE 135 Ca -0.11 1.78 0.10 0.00 1.00 0.00 0.00 62.75 65.51 2wa3 n ILE 135 Cb 0.36 -2.24 0.22 0.00 -0.71 0.00 0.00 39.64 37.27 2wa3 n ILE 135 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2wa3 h GLN 136 N 0.00 0.08 -0.98 0.38 4.20 -1.49 0.28 115.11 117.58 2wa3 h GLN 136 Ca 0.16 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2wa3 h GLN 136 Cb 0.34 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2wa3 h GLN 136 CO -0.71 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 177.51 2wa3 n GLN 137 N -5.39 1.20 -2.15 1.46 10.64 0.15 -3.66 117.38 119.62 2wa3 n GLN 137 Ca 0.18 -0.17 -0.01 0.00 -1.83 0.00 0.00 57.00 55.17 2wa3 n GLN 137 Cb 0.60 -1.50 0.04 0.00 -0.86 0.00 0.00 30.24 28.53 2wa3 n GLN 137 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2wa3 n ARG 138 N 0.07 0.92 -1.20 2.61 1.74 0.98 -5.02 116.66 116.75 2wa3 n ARG 138 Ca 0.02 -2.18 -0.10 0.00 -0.77 0.00 0.00 57.85 54.82 2wa3 n ARG 138 Cb 0.33 -0.38 -0.04 0.00 -1.02 0.00 0.00 32.46 31.35 2wa3 n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wa3 n GLY 139 N -0.44 0.95 3.70 -0.13 0.00 -1.21 -4.82 105.19 103.24 2wa3 n GLY 139 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2wa3 n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wa3 s GLY 140 N -1.90 1.75 0.00 -0.02 0.00 -1.21 -4.87 107.32 101.06 2wa3 s GLY 140 Ca 0.00 1.13 0.31 0.00 0.00 0.00 0.00 44.72 46.16 2wa3 s GLY 140 CO 0.00 2.60 2.10 1.18 0.00 0.00 0.00 173.10 178.98 2wa3 n GLU 141 N 4.79 0.74 -2.01 2.90 4.71 -1.26 -4.75 120.64 125.77 2wa3 n GLU 141 Ca 0.14 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.16 56.81 2wa3 n GLU 141 Cb 0.41 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.32 2wa3 n GLU 141 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2wa3 s GLU 142 N -2.30 4.20 0.03 3.49 8.01 -1.26 -4.12 118.70 126.76 2wa3 s GLU 142 Ca 0.37 2.20 0.02 0.00 0.01 0.00 0.00 54.97 57.57 2wa3 s GLU 142 Cb 0.21 -3.85 -0.02 0.00 -4.31 0.00 0.00 34.13 26.16 2wa3 s GLU 142 CO 0.42 -0.79 -0.08 1.03 0.01 0.00 0.00 175.26 175.86 2wa3 s ARG 143 N 3.51 0.52 0.08 1.61 0.52 -0.59 -5.00 118.95 119.60 2wa3 s ARG 143 Ca 0.72 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 2wa3 s ARG 143 Cb -0.35 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.75 2wa3 s ARG 143 CO 0.30 0.07 -0.17 -0.51 0.02 0.00 0.00 175.30 175.01 2wa3 s LEU 144 N -1.29 2.27 -0.15 2.53 1.43 -1.26 -1.37 118.68 120.85 2wa3 s LEU 144 Ca -0.07 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2wa3 s LEU 144 Cb -0.08 -0.67 0.05 0.00 0.03 0.00 0.00 46.19 45.52 2wa3 s LEU 144 CO 0.00 -0.01 0.04 -0.47 0.23 0.00 0.00 176.35 176.14 2wa3 s TYR 145 N -1.18 0.73 -0.04 0.29 6.14 -0.78 -3.60 117.35 118.91 2wa3 s TYR 145 Ca 0.02 -0.51 -0.30 0.00 0.64 0.00 0.00 57.07 56.91 2wa3 s TYR 145 Cb -0.10 -0.88 -0.03 0.00 0.42 0.00 0.00 41.96 41.38 2wa3 s TYR 145 CO 0.03 -0.50 1.08 -1.17 0.64 0.00 0.00 175.55 175.63 2wa3 s LEU 146 N 1.96 4.31 -0.27 6.97 0.20 -0.63 -0.77 118.68 130.44 2wa3 s LEU 146 Ca 0.02 1.72 -0.02 0.00 0.69 0.00 0.00 54.13 56.53 2wa3 s LEU 146 Cb -0.15 -3.56 0.11 0.00 -0.43 0.00 0.00 46.19 42.16 2wa3 s LEU 146 CO -0.07 -0.44 0.22 -1.10 -0.29 0.00 0.00 176.35 174.67 2wa3 s GLN 147 N 1.65 0.25 -0.13 1.98 -0.21 -1.12 -1.36 119.66 120.71 2wa3 s GLN 147 Ca 0.53 -0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.62 2wa3 s GLN 147 Cb -0.22 -0.96 0.06 0.00 1.00 0.00 0.00 33.01 32.89 2wa3 s GLN 147 CO 0.23 -0.96 0.29 -1.14 -2.12 0.00 0.00 175.29 171.60 2wa3 s GLN 148 N 2.26 0.23 -0.02 2.91 2.00 -0.97 -4.45 119.66 121.62 2wa3 s GLN 148 Ca 0.09 0.67 -0.35 0.00 -2.00 0.00 0.00 55.36 53.77 2wa3 s GLN 148 Cb -0.15 -0.05 -0.13 0.00 0.80 0.00 0.00 33.01 33.48 2wa3 s GLN 148 CO -0.31 -0.20 1.74 2.41 -0.50 0.00 0.00 175.29 178.44 2wa3 n THR 149 N 4.62 0.35 -1.53 -0.34 -1.04 -1.26 -1.89 114.28 113.19 2wa3 n THR 149 Ca -0.19 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.37 2wa3 n THR 149 Cb 0.52 -1.64 0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2wa3 n THR 149 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wa3 n LEU 150 N 5.31 1.65 0.00 -4.42 4.77 -0.84 -4.89 117.00 118.58 2wa3 n LEU 150 Ca 0.21 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2wa3 n LEU 150 Cb 0.27 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2wa3 n LEU 150 CO 0.70 -2.42 0.00 -0.46 -1.33 0.00 0.00 177.39 173.88 2wa3 n ASN 151 N 0.38 0.00 0.00 -1.43 0.23 -1.26 -4.83 115.26 108.36 2wa3 n ASN 151 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2wa3 n ASN 151 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2wa3 n ASN 151 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2wa3 n ASP 152 N 0.00 1.88 0.00 0.53 5.75 -1.26 -4.79 116.55 118.65 2wa3 n ASP 152 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 2wa3 n ASP 152 Cb 0.00 0.26 0.10 0.00 -1.03 0.00 0.00 41.12 40.45 2wa3 n ASP 152 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wa3 n THR 153 N -0.88 0.23 -2.64 2.12 -2.24 -1.26 -4.76 114.28 104.85 2wa3 n THR 153 Ca 0.00 0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 2wa3 n THR 153 Cb 0.12 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 2wa3 n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wa3 s VAL 154 N -2.13 4.76 1.12 2.28 -7.23 -1.26 -4.71 120.40 113.24 2wa3 s VAL 154 Ca 0.05 0.65 -0.17 0.00 -1.81 0.00 0.00 61.98 60.70 2wa3 s VAL 154 Cb 0.02 -3.77 0.25 0.00 0.56 0.00 0.00 36.38 33.45 2wa3 s VAL 154 CO 0.04 -0.68 1.14 -0.83 -0.31 0.00 0.00 175.10 174.47 2wa3 s GLY 155 N -3.44 1.61 0.06 2.32 0.00 0.45 -4.75 107.32 103.57 2wa3 s GLY 155 Ca 0.52 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 44.17 2wa3 s GLY 155 CO 0.36 -0.07 1.36 3.21 0.00 0.00 0.00 173.10 177.96 2wa3 h ARG 156 N -2.29 0.49 -0.02 2.90 -0.00 -1.92 -1.45 114.38 112.09 2wa3 h ARG 156 Ca -0.46 -0.27 -0.09 0.00 -0.50 0.00 0.00 59.98 58.66 2wa3 h ARG 156 Cb 1.29 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.27 2wa3 h ARG 156 CO 0.40 0.85 -0.41 -0.22 0.00 0.00 0.00 179.97 180.60 2wa3 h LYS 157 N 0.15 0.03 0.05 0.04 3.64 -1.94 -2.37 116.57 116.18 2wa3 h LYS 157 Ca 0.03 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.16 2wa3 h LYS 157 Cb 0.78 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2wa3 h LYS 157 CO 0.05 0.44 -1.04 0.82 -2.27 0.00 0.00 179.45 177.45 2wa3 h ILE 158 N 0.03 1.48 -0.31 2.00 1.08 -1.63 -2.71 117.51 117.44 2wa3 h ILE 158 Ca -0.00 -2.78 -0.05 0.00 -0.39 0.00 0.00 64.86 61.63 2wa3 h ILE 158 Cb 0.73 2.66 -0.02 0.00 -3.07 0.00 0.00 36.82 37.12 2wa3 h ILE 158 CO 0.05 0.82 -0.03 0.58 -0.69 0.00 0.00 178.15 178.88 2wa3 h VAL 159 N 0.12 1.20 -0.15 1.67 2.07 -1.13 -1.62 116.25 118.42 2wa3 h VAL 159 Ca -0.09 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2wa3 h VAL 159 Cb 1.72 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2wa3 h VAL 159 CO 0.17 0.28 -0.06 0.24 0.02 0.00 0.00 177.57 178.22 2wa3 h MET 160 N 0.47 0.30 0.08 1.57 2.86 -1.41 -0.95 114.93 117.85 2wa3 h MET 160 Ca 0.10 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2wa3 h MET 160 Cb 0.36 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2wa3 h MET 160 CO 0.01 0.61 -0.31 -0.44 1.06 0.00 0.00 176.91 177.85 2wa3 h ASP 161 N -0.03 -0.92 -1.00 1.22 3.32 -1.28 -2.63 116.42 115.11 2wa3 h ASP 161 Ca 0.03 0.10 0.26 0.00 0.02 0.00 0.00 57.03 57.44 2wa3 h ASP 161 Cb 0.52 0.34 -0.19 0.00 0.22 0.00 0.00 39.33 40.22 2wa3 h ASP 161 CO 0.02 -0.33 -0.04 0.33 -1.72 0.00 0.00 179.24 177.50 2wa3 n PHE 162 N -4.19 0.57 0.27 4.55 7.35 -0.63 -0.49 117.46 124.89 2wa3 n PHE 162 Ca -0.05 1.21 0.10 0.00 -0.76 0.00 0.00 57.45 57.94 2wa3 n PHE 162 Cb 0.24 -1.21 0.71 0.00 0.35 0.00 0.00 39.48 39.57 2wa3 n PHE 162 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2wa3 h LEU 163 N 0.00 0.00 -0.85 -2.13 3.38 -1.01 -2.45 115.31 112.26 2wa3 h LEU 163 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 2wa3 h LEU 163 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2wa3 h LEU 163 CO -0.96 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.19 2wa3 n GLY 164 N -1.44 -0.01 3.63 0.83 0.00 0.35 -4.88 105.19 103.67 2wa3 n GLY 164 Ca -0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2wa3 n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wa3 s PHE 165 N -1.83 1.65 -1.30 1.61 0.08 -0.92 -4.58 117.98 112.67 2wa3 s PHE 165 Ca 0.30 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.79 2wa3 s PHE 165 Cb 0.16 -3.23 0.14 0.00 -0.57 0.00 0.00 43.02 39.51 2wa3 s PHE 165 CO 0.24 -3.05 1.87 -1.71 -0.10 0.00 0.00 175.22 172.47 2wa3 n ASN 166 N -4.38 4.87 0.17 1.36 2.85 0.79 -4.75 115.26 116.17 2wa3 n ASN 166 Ca 0.09 -3.03 0.04 0.00 -0.11 0.00 0.00 54.58 51.57 2wa3 n ASN 166 Cb 0.53 -1.54 0.47 0.00 1.24 0.00 0.00 39.78 40.48 2wa3 n ASN 166 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2wa3 h TRP 167 N 6.09 0.13 0.01 1.20 4.06 -1.89 -2.86 115.95 122.70 2wa3 h TRP 167 Ca 0.42 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.39 2wa3 h TRP 167 Cb 0.68 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.75 2wa3 h TRP 167 CO 1.28 0.25 -0.28 -0.97 -3.56 0.00 0.00 178.44 175.16 2wa3 h ASN 168 N 0.13 -0.82 -0.31 -3.49 -1.24 -1.99 0.51 115.58 108.37 2wa3 h ASN 168 Ca 0.03 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2wa3 h ASN 168 Cb 0.28 0.33 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 2wa3 h ASN 168 CO 0.02 -0.35 0.16 -0.25 -1.29 0.00 0.00 177.43 175.72 2wa3 h TRP 169 N -0.43 0.43 -0.01 0.67 7.01 -1.91 -2.04 115.95 119.68 2wa3 h TRP 169 Ca 0.06 -0.01 -0.25 0.00 2.11 0.00 0.00 58.89 60.79 2wa3 h TRP 169 Cb 0.51 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.45 2wa3 h TRP 169 CO -0.30 0.36 -1.00 0.97 -2.79 0.00 0.00 178.44 175.68 2wa3 h ILE 170 N 0.37 1.32 -0.42 2.65 2.10 -1.37 -1.97 117.51 120.18 2wa3 h ILE 170 Ca 0.11 -2.30 -0.01 0.00 1.08 0.00 0.00 64.86 63.74 2wa3 h ILE 170 Cb 0.09 2.37 -0.02 0.00 -1.09 0.00 0.00 36.82 38.17 2wa3 h ILE 170 CO -0.02 0.70 0.23 0.78 -1.08 0.00 0.00 178.15 178.77 2wa3 h ASN 171 N 0.35 0.51 -0.41 2.19 2.35 -0.89 -1.62 115.58 118.06 2wa3 h ASN 171 Ca -0.11 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 2wa3 h ASN 171 Cb 1.64 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.87 2wa3 h ASN 171 CO 0.19 0.41 -0.11 0.11 -1.65 0.00 0.00 177.43 176.38 2wa3 h LYS 172 N 0.58 0.87 -0.41 0.81 1.57 -0.96 -1.61 116.57 117.43 2wa3 h LYS 172 Ca 0.15 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2wa3 h LYS 172 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2wa3 h LYS 172 CO -0.03 0.94 0.05 1.96 -0.57 0.00 0.00 179.45 181.80 2wa3 h GLN 173 N 0.78 0.69 0.15 3.15 1.08 -0.83 0.20 115.11 120.32 2wa3 h GLN 173 Ca 0.13 -0.19 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2wa3 h GLN 173 Cb 0.62 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2wa3 h GLN 173 CO 0.04 0.74 -0.19 0.37 -0.95 0.00 0.00 178.83 178.84 2wa3 h GLN 174 N 0.53 -0.37 0.16 1.46 4.15 -1.20 -1.79 115.11 118.06 2wa3 h GLN 174 Ca 0.12 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.58 2wa3 h GLN 174 Cb 0.39 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 2wa3 h GLN 174 CO 0.01 -0.24 -0.36 0.78 -1.93 0.00 0.00 178.83 177.09 2wa3 h GLY 175 N -0.38 -0.73 1.14 2.39 0.00 -1.17 -1.82 103.07 102.50 2wa3 h GLY 175 Ca 0.01 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.78 2wa3 h GLY 175 CO -0.07 -0.26 0.57 0.50 0.00 0.00 0.00 176.54 177.27 2wa3 h LYS 176 N -0.62 1.11 -0.00 4.80 1.57 -0.54 -2.02 116.57 120.88 2wa3 h LYS 176 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wa3 h LYS 176 Cb 0.63 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wa3 h LYS 176 CO -0.19 0.74 -0.03 0.54 -0.57 0.00 0.00 179.45 179.94 2wa3 n ARG 177 N -4.41 0.01 -1.14 3.15 5.12 -0.68 -4.92 116.66 113.78 2wa3 n ARG 177 Ca 0.10 -0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.97 2wa3 n ARG 177 Cb 0.04 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.81 2wa3 n ARG 177 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wa3 n GLY 178 N 1.50 0.74 3.62 -0.13 0.00 -0.76 -4.67 105.19 105.49 2wa3 n GLY 178 Ca 0.07 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2wa3 n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wa3 s TRP 179 N -2.07 1.63 0.00 1.61 0.51 -0.74 -4.21 118.94 115.68 2wa3 s TRP 179 Ca 0.00 1.54 0.00 0.00 -2.12 0.00 0.00 56.10 55.52 2wa3 s TRP 179 Cb 0.00 -3.23 0.00 0.00 -0.81 0.00 0.00 33.47 29.43 2wa3 s TRP 179 CO 0.00 -3.09 0.00 0.41 -0.51 0.00 0.00 176.95 173.76 2wa3 n GLY 180 N 0.22 0.39 3.80 0.98 0.00 0.44 -4.82 105.19 106.21 2wa3 n GLY 180 Ca 0.08 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2wa3 n GLY 180 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wa3 s GLN 181 N 0.50 3.65 -0.15 1.61 -2.07 -1.26 -4.53 119.66 117.41 2wa3 s GLN 181 Ca 0.00 1.25 -0.29 0.00 -1.82 0.00 0.00 55.36 54.50 2wa3 s GLN 181 Cb 0.00 -2.08 -0.06 0.00 -1.09 0.00 0.00 33.01 29.78 2wa3 s GLN 181 CO 0.00 -0.54 2.07 -1.17 -1.32 0.00 0.00 175.29 174.33 2wa3 s LEU 182 N -3.92 3.78 -0.14 2.60 2.96 -1.26 -2.63 118.68 120.07 2wa3 s LEU 182 Ca 0.65 2.07 -0.14 0.00 -0.22 0.00 0.00 54.13 56.49 2wa3 s LEU 182 Cb -0.15 -3.52 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 2wa3 s LEU 182 CO 0.27 -1.62 0.39 0.71 -1.32 0.00 0.00 176.35 174.79 2wa3 h THR 183 N 6.59 0.86 -3.52 3.68 1.35 -1.14 -3.49 112.91 117.24 2wa3 h THR 183 Ca -0.43 -2.31 -0.04 0.00 -0.55 0.00 0.00 66.41 63.08 2wa3 h THR 183 Cb 1.23 2.50 -0.09 0.00 -1.73 0.00 0.00 68.15 70.06 2wa3 h THR 183 CO 0.96 0.66 -0.06 -0.94 -0.25 0.00 0.00 175.52 175.88 2wa3 s SER 184 N -6.98 -0.14 -0.27 5.36 1.04 -1.22 -5.01 113.70 106.47 2wa3 s SER 184 Ca -0.23 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 2wa3 s SER 184 Cb 0.06 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.86 2wa3 s SER 184 CO 0.72 -1.12 0.13 0.21 0.98 0.00 0.00 173.24 174.16 2wa3 s ASN 185 N -2.97 3.25 0.03 7.02 3.84 -1.26 -1.75 114.94 123.10 2wa3 s ASN 185 Ca 0.17 -1.15 -0.01 0.00 0.21 0.00 0.00 52.86 52.08 2wa3 s ASN 185 Cb -0.01 -0.28 -0.04 0.00 -0.55 0.00 0.00 41.25 40.37 2wa3 s ASN 185 CO 0.05 -0.42 0.18 -0.76 -2.79 0.00 0.00 177.10 173.35 2wa3 s LEU 186 N 2.12 4.27 -0.21 3.21 1.02 -1.18 -1.98 118.68 125.93 2wa3 s LEU 186 Ca 0.08 0.26 -0.10 0.00 0.02 0.00 0.00 54.13 54.40 2wa3 s LEU 186 Cb -0.16 -2.73 -0.05 0.00 0.02 0.00 0.00 46.19 43.27 2wa3 s LEU 186 CO -0.32 0.21 0.13 -0.22 0.02 0.00 0.00 176.35 176.16 2wa3 s LEU 187 N -2.23 4.07 -0.10 1.79 2.96 -0.79 -1.82 118.68 122.56 2wa3 s LEU 187 Ca 0.31 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 2wa3 s LEU 187 Cb -0.13 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2wa3 s LEU 187 CO 0.23 0.13 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.44 2wa3 s LEU 188 N 0.68 1.87 -0.18 -0.68 1.02 0.62 -2.28 118.68 119.74 2wa3 s LEU 188 Ca 0.07 -0.46 -0.00 0.00 0.02 0.00 0.00 54.13 53.75 2wa3 s LEU 188 Cb -0.12 -1.18 0.04 0.00 0.02 0.00 0.00 46.19 44.95 2wa3 s LEU 188 CO 0.01 0.07 -0.06 -0.63 0.02 0.00 0.00 176.35 175.76 2wa3 s ILE 189 N 0.71 1.24 0.17 -0.59 1.01 -0.47 -0.49 121.20 122.78 2wa3 s ILE 189 Ca -0.12 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 59.89 2wa3 s ILE 189 Cb -0.16 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2wa3 s ILE 189 CO 0.03 0.13 -0.18 -0.83 0.00 0.00 0.00 174.94 174.08 2wa3 s GLY 190 N 1.57 1.70 0.31 6.18 0.00 0.12 -1.61 107.32 115.59 2wa3 s GLY 190 Ca 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 2wa3 s GLY 190 CO -0.08 -1.51 0.64 1.06 0.00 0.00 0.00 173.10 173.21 2wa3 s MET 191 N -2.54 3.77 0.72 2.90 -1.94 -1.24 -1.64 119.30 119.33 2wa3 s MET 191 Ca 0.21 0.30 -0.15 0.00 -1.71 0.00 0.00 55.69 54.34 2wa3 s MET 191 Cb -0.09 -2.55 0.03 0.00 2.01 0.00 0.00 34.83 34.24 2wa3 s MET 191 CO 0.11 0.17 1.19 -1.83 -0.01 0.00 0.00 175.02 174.64 2wa3 s GLU 192 N -3.34 2.25 0.00 2.03 -1.05 -1.14 -2.15 118.70 115.31 2wa3 s GLU 192 Ca 0.48 1.68 0.00 0.00 -0.15 0.00 0.00 54.97 56.98 2wa3 s GLU 192 Cb -0.11 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 2wa3 s GLU 192 CO 0.26 -1.73 0.00 0.41 0.95 0.00 0.00 175.26 175.15 2wa3 n GLY 193 N 0.21 2.37 3.78 -3.83 0.00 -0.30 -4.88 105.19 102.54 2wa3 n GLY 193 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2wa3 n GLY 193 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wa3 s ASN 194 N -2.51 6.26 -0.06 1.61 -0.87 -0.91 -4.73 114.94 113.73 2wa3 s ASN 194 Ca 0.00 3.05 0.04 0.00 -1.57 0.00 0.00 52.86 54.38 2wa3 s ASN 194 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 41.25 38.56 2wa3 s ASN 194 CO 0.00 -0.93 -0.17 -0.69 -2.57 0.00 0.00 177.10 172.74 2wa3 s VAL 195 N -1.13 1.46 -0.37 1.60 1.01 0.77 -0.72 120.40 123.02 2wa3 s VAL 195 Ca 0.54 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2wa3 s VAL 195 Cb -0.46 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 34.68 2wa3 s VAL 195 CO 0.63 0.42 0.20 -0.89 0.00 0.00 0.00 175.10 175.46 2wa3 s THR 196 N 0.21 4.38 0.95 3.92 2.01 0.19 -2.04 115.64 125.26 2wa3 s THR 196 Ca -0.08 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 2wa3 s THR 196 Cb -0.13 -3.49 0.16 0.00 0.01 0.00 0.00 72.50 69.05 2wa3 s THR 196 CO 0.03 -0.27 1.09 -2.84 -0.69 0.00 0.00 174.62 171.95 2wa3 s PRO 197 N 1.51 0.80 -0.00 4.92 0.02 -1.26 -1.31 135.00 139.68 2wa3 s PRO 197 Ca 0.01 0.96 -0.35 0.00 0.02 0.00 0.00 61.00 61.64 2wa3 s PRO 197 Cb -0.20 -1.75 -0.14 0.00 0.02 0.00 0.00 34.50 32.44 2wa3 s PRO 197 CO 0.05 -2.59 1.68 0.00 -0.33 0.00 0.00 177.00 175.80 2wa3 n ALA 198 N -4.14 0.62 -3.26 -1.55 0.00 -1.24 -4.66 120.51 106.27 2wa3 n ALA 198 Ca 0.07 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 2wa3 n ALA 198 Cb 0.54 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 2wa3 n ALA 198 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2wa3 s HIS 199 N 2.36 0.53 0.13 0.00 -3.43 -0.66 -1.24 115.29 112.97 2wa3 s HIS 199 Ca 0.87 -0.92 0.07 0.00 -0.80 0.00 0.00 55.06 54.28 2wa3 s HIS 199 Cb -0.78 0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.60 2wa3 s HIS 199 CO 0.48 -1.20 -0.15 1.52 -2.00 0.00 0.00 174.74 173.39 2wa3 s TYR 200 N -3.26 1.51 0.14 0.38 -0.85 -0.92 0.53 117.35 114.88 2wa3 s TYR 200 Ca 0.23 -0.53 0.10 0.00 -0.52 0.00 0.00 57.07 56.34 2wa3 s TYR 200 Cb -0.02 -0.78 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 2wa3 s TYR 200 CO 0.14 0.19 -0.19 -0.51 -1.52 0.00 0.00 175.55 173.66 2wa3 s ASP 201 N -2.50 3.81 0.00 -0.18 1.01 -1.26 -4.89 116.67 112.66 2wa3 s ASP 201 Ca 0.11 -0.64 0.29 0.00 0.71 0.00 0.00 52.55 53.01 2wa3 s ASP 201 Cb -0.05 -0.49 1.16 0.00 1.01 0.00 0.00 42.92 44.56 2wa3 s ASP 201 CO 0.04 0.15 1.87 -0.62 0.21 0.00 0.00 175.17 176.82 2wa3 n GLU 202 N 0.58 0.05 -3.92 8.23 1.02 -1.26 -1.02 120.64 124.31 2wa3 n GLU 202 Ca -0.14 -0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.78 2wa3 n GLU 202 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2wa3 n GLU 202 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2wa3 s GLN 203 N -2.96 2.82 0.26 3.49 -0.21 -1.26 -4.70 119.66 117.11 2wa3 s GLN 203 Ca 0.15 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 54.05 2wa3 s GLN 203 Cb 0.19 -2.52 -0.09 0.00 1.00 0.00 0.00 33.01 31.58 2wa3 s GLN 203 CO 0.55 0.22 1.00 -0.65 -2.12 0.00 0.00 175.29 174.28 2wa3 s GLN 204 N -3.94 4.77 -0.05 2.91 -1.52 0.33 -3.77 119.66 118.38 2wa3 s GLN 204 Ca 0.38 1.60 0.01 0.00 -1.95 0.00 0.00 55.36 55.39 2wa3 s GLN 204 Cb -0.07 -3.22 0.02 0.00 -0.22 0.00 0.00 33.01 29.52 2wa3 s GLN 204 CO 0.26 0.40 -0.04 1.21 -0.25 0.00 0.00 175.29 176.87 2wa3 s ASN 205 N -1.09 1.02 -0.31 5.90 2.47 -0.87 -0.87 114.94 121.20 2wa3 s ASN 205 Ca 0.43 -0.12 -0.08 0.00 0.42 0.00 0.00 52.86 53.51 2wa3 s ASN 205 Cb -0.28 -0.44 0.00 0.00 -1.45 0.00 0.00 41.25 39.09 2wa3 s ASN 205 CO 0.35 -0.08 0.12 -0.36 -3.72 0.00 0.00 177.10 173.41 2wa3 s PHE 206 N 1.08 3.16 -0.35 0.43 0.08 -0.47 -1.00 117.98 120.92 2wa3 s PHE 206 Ca -0.09 -0.81 -0.12 0.00 0.12 0.00 0.00 56.93 56.04 2wa3 s PHE 206 Cb -0.14 -2.30 -0.00 0.00 -0.57 0.00 0.00 43.02 40.00 2wa3 s PHE 206 CO -0.01 -0.53 0.22 0.12 -0.10 0.00 0.00 175.22 174.92 2wa3 s PHE 207 N 1.55 3.22 -0.33 0.36 2.19 0.12 -1.52 117.98 123.56 2wa3 s PHE 207 Ca 0.03 -0.44 -0.04 0.00 0.33 0.00 0.00 56.93 56.82 2wa3 s PHE 207 Cb -0.17 -2.45 0.06 0.00 -1.31 0.00 0.00 43.02 39.14 2wa3 s PHE 207 CO 0.04 -0.45 0.07 0.00 1.83 0.00 0.00 175.22 176.72 2wa3 s ALA 208 N 1.67 2.96 0.06 11.12 0.00 0.43 -0.45 121.76 137.55 2wa3 s ALA 208 Ca 0.05 -1.91 -0.16 0.00 0.00 0.00 0.00 51.96 49.94 2wa3 s ALA 208 Cb -0.18 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 2wa3 s ALA 208 CO 0.09 -1.40 0.49 -1.14 0.00 0.00 0.00 175.76 173.80 2wa3 s GLN 209 N 1.28 4.01 0.05 0.00 2.00 -0.37 -0.72 119.66 125.91 2wa3 s GLN 209 Ca -0.02 0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.86 2wa3 s GLN 209 Cb -0.20 -3.14 0.00 0.00 0.80 0.00 0.00 33.01 30.46 2wa3 s GLN 209 CO -0.00 0.62 0.00 -0.89 -0.50 0.00 0.00 175.29 174.51 2wa3 n ILE 210 N 1.48 0.30 -4.08 -2.34 5.41 -0.72 -1.60 119.36 117.82 2wa3 n ILE 210 Ca -0.10 0.10 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2wa3 n ILE 210 Cb 0.52 -1.27 -0.14 0.00 -0.71 0.00 0.00 39.64 38.03 2wa3 n ILE 210 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2wa3 s LYS 211 N -2.00 0.32 0.54 0.38 2.20 -0.67 -4.43 119.74 116.07 2wa3 s LYS 211 Ca 0.00 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2wa3 s LYS 211 Cb 0.00 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 2wa3 s LYS 211 CO 0.00 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 2wa3 n GLY 212 N 3.04 -1.91 3.31 5.54 0.00 -1.26 -1.14 105.19 112.77 2wa3 n GLY 212 Ca -0.13 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 2wa3 n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wa3 s TYR 213 N -1.27 2.62 -0.08 1.61 1.51 -1.26 -4.19 117.35 116.30 2wa3 s TYR 213 Ca 0.00 -0.72 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 2wa3 s TYR 213 Cb 0.00 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2wa3 s TYR 213 CO 0.00 -0.22 -0.20 0.15 -1.11 0.00 0.00 175.55 174.16 2wa3 s LYS 214 N 0.07 2.45 -0.10 -0.62 1.02 -0.38 -2.44 119.74 119.74 2wa3 s LYS 214 Ca -0.08 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 54.96 2wa3 s LYS 214 Cb -0.15 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2wa3 s LYS 214 CO 0.05 0.19 0.61 0.50 -0.92 0.00 0.00 175.35 175.79 2wa3 s ARG 215 N 0.27 4.37 -0.20 1.68 3.52 0.18 -1.28 118.95 127.50 2wa3 s ARG 215 Ca -0.13 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.18 2wa3 s ARG 215 Cb -0.16 -3.46 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2wa3 s ARG 215 CO 0.06 0.05 -0.10 0.00 -0.81 0.00 0.00 175.30 174.50 2wa3 s ILE 217 N 1.41 4.56 0.06 0.00 1.01 -0.56 -1.53 121.20 126.16 2wa3 s ILE 217 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.56 2wa3 s ILE 217 Cb -0.16 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2wa3 s ILE 217 CO -0.08 0.30 0.05 -0.76 0.00 0.00 0.00 174.94 174.45 2wa3 s LEU 218 N 1.65 3.68 -0.00 2.97 1.02 0.11 -0.97 118.68 127.14 2wa3 s LEU 218 Ca 0.06 -0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.20 2wa3 s LEU 218 Cb -0.15 -2.32 -0.01 0.00 0.02 0.00 0.00 46.19 43.73 2wa3 s LEU 218 CO 0.05 0.20 -0.09 -0.36 0.02 0.00 0.00 176.35 176.18 2wa3 s PHE 219 N -1.30 0.78 0.81 0.29 0.40 -0.74 -0.81 117.98 117.41 2wa3 s PHE 219 Ca 0.26 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 2wa3 s PHE 219 Cb -0.12 -0.50 0.08 0.00 0.51 0.00 0.00 43.02 42.99 2wa3 s PHE 219 CO 0.19 -0.01 1.09 -1.25 0.70 0.00 0.00 175.22 175.93 2wa3 s PRO 220 N -0.32 1.96 0.38 0.24 0.04 -1.26 -1.03 135.00 135.01 2wa3 s PRO 220 Ca 0.02 0.74 0.19 0.00 0.04 0.00 0.00 61.00 61.99 2wa3 s PRO 220 Cb -0.04 -1.90 1.14 0.00 0.04 0.00 0.00 34.50 33.74 2wa3 s PRO 220 CO -0.00 -1.73 1.71 -1.35 0.04 0.00 0.00 177.00 175.66 2wa3 h PRO 221 N -1.17 0.33 -0.18 0.56 0.11 -1.94 -1.42 132.00 128.29 2wa3 h PRO 221 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wa3 h PRO 221 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wa3 h PRO 221 CO 0.57 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 2wa3 n ASP 222 N -4.78 0.18 -1.09 -2.05 5.68 -1.26 -2.50 116.55 110.73 2wa3 n ASP 222 Ca 0.30 -1.65 0.08 0.00 -0.50 0.00 0.00 54.79 53.02 2wa3 n ASP 222 Cb 1.00 -0.09 0.29 0.00 -1.14 0.00 0.00 41.12 41.18 2wa3 n ASP 222 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wa3 n GLN 223 N -0.37 3.32 -0.26 0.11 6.02 -0.53 -4.68 117.38 120.98 2wa3 n GLN 223 Ca 0.00 -2.87 0.06 0.00 -0.01 0.00 0.00 57.00 54.18 2wa3 n GLN 223 Cb 0.04 -1.90 0.18 0.00 1.02 0.00 0.00 30.24 29.58 2wa3 n GLN 223 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2wa3 h PHE 224 N 2.28 0.11 0.00 1.08 3.04 -1.69 -1.80 116.94 119.96 2wa3 h PHE 224 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2wa3 h PHE 224 Cb 1.52 0.07 0.00 0.00 2.56 0.00 0.00 35.95 40.10 2wa3 h PHE 224 CO 0.61 -0.18 0.00 -0.85 -2.02 0.00 0.00 178.31 175.86 2wa3 n GLU 225 N -5.26 0.14 0.03 1.11 0.00 -1.26 -1.92 120.64 113.48 2wa3 n GLU 225 Ca 0.15 0.25 0.12 0.00 0.00 0.00 0.00 57.16 57.67 2wa3 n GLU 225 Cb 0.49 -1.71 0.13 0.00 0.00 0.00 0.00 31.44 30.36 2wa3 n GLU 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wa3 n LEU 227 N -1.85 0.18 -3.54 0.00 4.77 -0.81 -2.86 117.00 112.89 2wa3 n LEU 227 Ca 0.04 -0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 55.31 2wa3 n LEU 227 Cb 0.40 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2wa3 n LEU 227 CO 0.37 0.04 -0.03 -1.22 -1.33 0.00 0.00 177.39 175.23 2wa3 n TYR 228 N -1.12 -2.09 -0.97 -1.77 4.01 -1.07 -3.64 117.16 110.50 2wa3 n TYR 228 Ca 0.01 0.70 -0.32 0.00 -0.16 0.00 0.00 57.90 58.13 2wa3 n TYR 228 Cb 0.06 -3.98 0.14 0.00 -0.31 0.00 0.00 39.34 35.25 2wa3 n TYR 228 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wa3 s PRO 229 N -5.47 1.45 0.88 -0.72 0.04 -1.26 -1.52 135.00 128.41 2wa3 s PRO 229 Ca 0.32 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2wa3 s PRO 229 Cb -0.08 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.81 2wa3 s PRO 229 CO 0.81 -2.33 1.10 0.66 0.04 0.00 0.00 177.00 177.27 2wa3 n TYR 230 N -3.67 0.79 -1.20 0.56 4.02 -0.96 -4.78 117.16 111.91 2wa3 n TYR 230 Ca 0.12 0.39 -0.35 0.00 -0.01 0.00 0.00 57.90 58.06 2wa3 n TYR 230 Cb 0.51 -2.02 0.11 0.00 -0.02 0.00 0.00 39.34 37.92 2wa3 n TYR 230 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2wa3 n PRO 231 N -3.69 0.29 -0.18 -0.72 -0.02 -1.26 -4.47 135.00 124.96 2wa3 n PRO 231 Ca 0.12 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.77 2wa3 n PRO 231 Cb 0.52 -2.25 0.27 0.00 -0.02 0.00 0.00 33.50 32.02 2wa3 n PRO 231 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wa3 h VAL 232 N -0.64 1.18 0.00 -1.45 2.07 -1.95 -1.64 116.25 113.82 2wa3 h VAL 232 Ca -0.46 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2wa3 h VAL 232 Cb 1.32 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2wa3 h VAL 232 CO 0.45 0.17 0.00 0.45 0.02 0.00 0.00 177.57 178.67 2wa3 h HIS 233 N 0.94 0.00 -3.92 1.57 3.86 -1.93 -3.42 115.15 112.25 2wa3 h HIS 233 Ca 0.25 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.90 2wa3 h HIS 233 Cb -0.10 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.51 2wa3 h HIS 233 CO 0.00 0.00 0.52 1.58 0.86 0.00 0.00 177.93 180.89 2wa3 n HIS 234 N -2.88 2.04 0.31 2.45 -0.00 -0.62 -4.87 115.22 111.66 2wa3 n HIS 234 Ca 0.04 0.44 0.17 0.00 -0.00 0.00 0.00 57.72 58.36 2wa3 n HIS 234 Cb 0.46 -2.32 0.75 0.00 -0.00 0.00 0.00 29.99 28.87 2wa3 n HIS 234 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2wa3 h PRO 235 N 1.25 0.00 -0.82 1.57 0.11 -1.86 -2.37 132.00 129.88 2wa3 h PRO 235 Ca -0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 2wa3 h PRO 235 Cb 1.32 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.28 2wa3 h PRO 235 CO 0.56 0.00 0.32 0.00 -0.21 0.00 0.00 178.00 178.66 2wa3 n ASP 237 N -0.26 -0.13 0.00 0.00 2.03 -0.90 -1.39 116.55 115.90 2wa3 n ASP 237 Ca 0.40 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.81 2wa3 n ASP 237 Cb 1.35 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2wa3 n ASP 237 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wa3 n ARG 238 N 1.38 0.00 -3.59 -0.67 1.74 -1.26 -4.99 116.66 109.26 2wa3 n ARG 238 Ca 0.19 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.99 2wa3 n ARG 238 Cb 0.09 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.00 2wa3 n ARG 238 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wa3 s GLN 239 N -0.01 3.55 0.26 5.56 -0.21 -0.49 -2.16 119.66 126.16 2wa3 s GLN 239 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 2wa3 s GLN 239 Cb 0.00 -2.78 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 2wa3 s GLN 239 CO 0.00 0.35 1.06 0.45 -2.12 0.00 0.00 175.29 175.02 2wa3 s SER 240 N -3.17 7.37 0.10 5.90 0.15 -0.37 -2.26 113.70 121.42 2wa3 s SER 240 Ca 0.40 2.16 0.24 0.00 0.70 0.00 0.00 55.95 59.45 2wa3 s SER 240 Cb -0.11 -2.62 0.94 0.00 -1.71 0.00 0.00 66.02 62.52 2wa3 s SER 240 CO 0.29 -0.07 1.74 0.00 1.20 0.00 0.00 173.24 176.40 2wa3 n GLN 241 N 1.43 0.10 -2.69 5.44 6.02 -0.57 -4.82 117.38 122.29 2wa3 n GLN 241 Ca -0.01 0.19 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 2wa3 n GLN 241 Cb 0.46 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 2wa3 n GLN 241 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wa3 s VAL 242 N -3.08 4.76 -0.30 5.09 1.01 -1.26 -5.00 120.40 121.62 2wa3 s VAL 242 Ca 0.10 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 2wa3 s VAL 242 Cb 0.13 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2wa3 s VAL 242 CO 0.46 -0.04 1.46 -0.62 0.00 0.00 0.00 175.10 176.36 2wa3 s ASP 243 N 1.12 6.45 0.40 3.32 -1.08 -1.26 -4.93 116.67 120.70 2wa3 s ASP 243 Ca 0.47 1.26 0.14 0.00 -0.52 0.00 0.00 52.55 53.90 2wa3 s ASP 243 Cb -0.17 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.58 2wa3 s ASP 243 CO 0.15 -1.26 1.88 -0.26 0.52 0.00 0.00 175.17 176.20 2wa3 h PHE 244 N 10.30 0.00 -0.06 -5.34 -1.00 -1.98 -1.61 116.94 117.25 2wa3 h PHE 244 Ca -0.29 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.33 2wa3 h PHE 244 Cb 1.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 2wa3 h PHE 244 CO 0.92 0.31 -0.66 -0.44 -1.61 0.00 0.00 178.31 176.83 2wa3 h ASP 245 N 0.00 0.28 -2.15 2.17 3.32 -1.92 -3.39 116.42 114.73 2wa3 h ASP 245 Ca -0.00 -0.17 -0.57 0.00 0.02 0.00 0.00 57.03 56.30 2wa3 h ASP 245 Cb 0.57 -0.08 -0.39 0.00 0.22 0.00 0.00 39.33 39.65 2wa3 h ASP 245 CO 0.04 0.86 -1.04 -3.20 -1.72 0.00 0.00 179.24 174.17 2wa3 n ASN 246 N -3.83 0.05 -4.72 6.45 5.15 -0.85 -5.08 115.26 112.43 2wa3 n ASN 246 Ca -0.03 -2.60 -0.42 0.00 -0.60 0.00 0.00 54.58 50.94 2wa3 n ASN 246 Cb 0.65 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.26 2wa3 n ASN 246 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wa3 s PRO 247 N -0.76 4.37 -0.71 1.20 0.04 -0.66 -4.54 135.00 133.94 2wa3 s PRO 247 Ca 0.34 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.18 2wa3 s PRO 247 Cb 0.12 -3.26 0.12 0.00 0.04 0.00 0.00 34.50 31.52 2wa3 s PRO 247 CO -0.14 -0.33 0.84 0.34 0.04 0.00 0.00 177.00 177.75 2wa3 s ASP 248 N 0.84 6.35 0.16 6.66 -1.08 -1.26 -4.88 116.67 123.46 2wa3 s ASP 248 Ca 0.61 -1.66 0.24 0.00 -0.52 0.00 0.00 52.55 51.21 2wa3 s ASP 248 Cb -0.35 -2.33 0.91 0.00 -1.46 0.00 0.00 42.92 39.69 2wa3 s ASP 248 CO 0.32 -1.09 1.72 -1.22 0.52 0.00 0.00 175.17 175.43 2wa3 n TYR 249 N 6.29 0.59 -0.16 -5.34 4.01 -1.26 -1.51 117.16 119.79 2wa3 n TYR 249 Ca 0.02 0.20 -0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2wa3 n TYR 249 Cb 0.45 -0.83 -0.00 0.00 -0.31 0.00 0.00 39.34 38.65 2wa3 n TYR 249 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2wa3 h GLU 250 N 0.00 0.85 0.00 -0.72 5.08 -1.97 -2.96 114.58 114.86 2wa3 h GLU 250 Ca 0.00 -0.30 -0.24 0.00 -1.00 0.00 0.00 59.36 57.82 2wa3 h GLU 250 Cb 0.48 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2wa3 h GLU 250 CO 0.00 0.93 -1.52 0.00 -1.00 0.00 0.00 179.01 177.42 2wa3 h ARG 251 N 0.69 0.00 -1.90 2.33 3.08 -1.88 -3.40 114.38 113.30 2wa3 h ARG 251 Ca 0.12 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.63 2wa3 h ARG 251 Cb 0.59 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.22 2wa3 h ARG 251 CO 0.04 0.46 -0.83 1.19 -1.07 0.00 0.00 179.97 179.76 2wa3 n PHE 252 N -3.02 2.86 -0.10 3.04 3.72 -0.57 -4.93 117.46 118.46 2wa3 n PHE 252 Ca -0.13 -3.61 0.02 0.00 -0.05 0.00 0.00 57.45 53.68 2wa3 n PHE 252 Cb 0.96 -0.36 0.32 0.00 -0.94 0.00 0.00 39.48 39.46 2wa3 n PHE 252 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wa3 h PRO 253 N 2.88 0.75 0.00 -1.08 0.13 -1.74 -1.13 132.00 131.81 2wa3 h PRO 253 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wa3 h PRO 253 Cb 0.77 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2wa3 h PRO 253 CO 0.73 0.53 0.00 0.09 -0.23 0.00 0.00 178.00 179.12 2wa3 n ASN 254 N -4.42 0.00 0.30 1.44 4.13 -1.26 -2.37 115.26 113.08 2wa3 n ASN 254 Ca 0.05 -0.01 0.18 0.00 1.68 0.00 0.00 54.58 56.49 2wa3 n ASN 254 Cb 0.08 -0.28 1.01 0.00 -1.54 0.00 0.00 39.78 39.04 2wa3 n ASN 254 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2wa3 h PHE 255 N 0.00 0.00 0.00 3.10 3.57 -1.05 -0.82 116.94 121.74 2wa3 h PHE 255 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wa3 h PHE 255 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2wa3 h PHE 255 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 2wa3 n GLN 256 N -3.46 0.79 -0.28 1.11 10.64 -1.00 -2.69 117.38 122.49 2wa3 n GLN 256 Ca -0.02 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.23 2wa3 n GLN 256 Cb 0.15 -1.42 0.22 0.00 -0.86 0.00 0.00 30.24 28.34 2wa3 n GLN 256 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wa3 n ASN 257 N -0.92 3.40 -4.75 2.61 4.13 -0.31 -5.03 115.26 114.39 2wa3 n ASN 257 Ca 0.16 -2.08 -0.41 0.00 1.68 0.00 0.00 54.58 53.94 2wa3 n ASN 257 Cb 0.07 -0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 37.92 2wa3 n ASN 257 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2wa3 s VAL 258 N -1.14 3.60 -0.03 2.41 0.11 -1.09 -5.04 120.40 119.21 2wa3 s VAL 258 Ca 0.34 1.51 0.02 0.00 -2.93 0.00 0.00 61.98 60.92 2wa3 s VAL 258 Cb 0.19 -3.96 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 2wa3 s VAL 258 CO 0.21 0.32 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.54 2wa3 s VAL 259 N -0.79 0.70 0.31 2.04 1.01 -1.26 -4.39 120.40 118.00 2wa3 s VAL 259 Ca 0.47 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.24 2wa3 s VAL 259 Cb -0.31 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2wa3 s VAL 259 CO 0.39 0.23 0.08 -0.83 0.00 0.00 0.00 175.10 174.97 2wa3 s GLY 260 N 0.34 1.81 -0.15 4.51 0.00 -0.77 -4.77 107.32 108.29 2wa3 s GLY 260 Ca -0.05 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 42.86 2wa3 s GLY 260 CO 0.00 -1.74 0.05 -0.19 0.00 0.00 0.00 173.10 171.23 2wa3 s TYR 261 N -2.38 3.27 0.07 1.90 2.02 0.01 -0.73 117.35 121.51 2wa3 s TYR 261 Ca 0.35 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.19 2wa3 s TYR 261 Cb -0.04 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2wa3 s TYR 261 CO 0.21 0.28 -0.06 -1.83 -1.57 0.00 0.00 175.55 172.58 2wa3 s GLU 262 N -0.04 0.70 0.20 -0.62 -1.05 0.23 0.07 118.70 118.18 2wa3 s GLU 262 Ca 0.06 -1.15 -0.18 0.00 -0.15 0.00 0.00 54.97 53.54 2wa3 s GLU 262 Cb -0.12 -0.12 0.03 0.00 -0.44 0.00 0.00 34.13 33.48 2wa3 s GLU 262 CO 0.01 -0.02 0.55 -0.08 0.95 0.00 0.00 175.26 176.66 2wa3 s THR 263 N -3.10 0.02 -0.14 1.83 -1.32 -0.58 -1.64 115.64 110.71 2wa3 s THR 263 Ca 0.05 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 2wa3 s THR 263 Cb 0.02 -1.54 -0.00 0.00 -1.51 0.00 0.00 72.50 69.46 2wa3 s THR 263 CO -0.05 -0.10 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.41 2wa3 s VAL 264 N -3.86 2.58 -0.00 5.08 1.01 -1.26 -0.74 120.40 123.20 2wa3 s VAL 264 Ca 0.08 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2wa3 s VAL 264 Cb -0.01 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2wa3 s VAL 264 CO -0.03 0.53 -0.16 0.68 0.00 0.00 0.00 175.10 176.11 2wa3 s VAL 265 N 0.60 2.90 0.00 2.92 -7.23 -0.40 -4.96 120.40 114.23 2wa3 s VAL 265 Ca -0.10 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2wa3 s VAL 265 Cb -0.16 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2wa3 s VAL 265 CO 0.03 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 2wa3 n GLY 266 N 1.93 4.28 3.67 2.32 0.00 -1.26 -1.25 105.19 114.89 2wa3 n GLY 266 Ca -0.16 -1.69 -0.54 0.00 0.00 0.00 0.00 46.02 43.63 2wa3 n GLY 266 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wa3 n PRO 267 N 0.00 1.35 0.00 1.61 -0.02 -1.26 -1.34 135.00 135.34 2wa3 n PRO 267 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2wa3 n PRO 267 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2wa3 n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wa3 n GLY 268 N 3.74 3.40 3.77 -1.23 0.00 -0.63 -4.96 105.19 109.28 2wa3 n GLY 268 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2wa3 n GLY 268 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wa3 s ASP 269 N -0.66 6.99 -0.09 1.61 1.01 -0.45 -4.50 116.67 120.58 2wa3 s ASP 269 Ca 0.00 2.13 0.04 0.00 0.71 0.00 0.00 52.55 55.42 2wa3 s ASP 269 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2wa3 s ASP 269 CO 0.00 -0.33 -0.22 -0.69 0.21 0.00 0.00 175.17 174.14 2wa3 s VAL 270 N -1.44 1.91 -0.19 -1.27 1.01 -0.80 -1.23 120.40 118.38 2wa3 s VAL 270 Ca 0.52 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2wa3 s VAL 270 Cb -0.26 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2wa3 s VAL 270 CO 0.33 0.53 0.03 -0.22 0.00 0.00 0.00 175.10 175.77 2wa3 s LEU 271 N 0.39 3.53 -0.44 3.92 2.96 0.40 -1.14 118.68 128.31 2wa3 s LEU 271 Ca -0.18 -0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 2wa3 s LEU 271 Cb -0.18 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.64 2wa3 s LEU 271 CO 0.08 0.12 0.83 -0.47 -1.32 0.00 0.00 176.35 175.59 2wa3 s TYR 272 N 0.68 2.99 -0.48 5.38 5.04 -0.71 -0.70 117.35 129.54 2wa3 s TYR 272 Ca 0.01 0.30 -0.16 0.00 -2.44 0.00 0.00 57.07 54.78 2wa3 s TYR 272 Cb -0.14 -3.72 0.07 0.00 0.35 0.00 0.00 41.96 38.52 2wa3 s TYR 272 CO 0.02 -0.98 0.44 0.42 -1.34 0.00 0.00 175.55 174.11 2wa3 s ILE 273 N 3.41 5.16 0.54 3.14 1.01 -0.17 -3.61 121.20 130.68 2wa3 s ILE 273 Ca 0.32 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 2wa3 s ILE 273 Cb -0.12 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 2wa3 s ILE 273 CO 0.23 -0.63 1.18 -2.84 0.00 0.00 0.00 174.94 172.88 2wa3 s PRO 274 N 1.84 3.30 0.43 2.79 0.02 -1.26 -2.04 135.00 140.08 2wa3 s PRO 274 Ca 0.06 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 62.61 2wa3 s PRO 274 Cb -0.23 -2.10 -0.09 0.00 0.02 0.00 0.00 34.50 32.09 2wa3 s PRO 274 CO 0.08 -0.93 1.31 0.00 -0.33 0.00 0.00 177.00 177.13 2wa3 n MET 275 N -1.18 1.99 -0.55 5.54 0.00 -1.25 -2.21 117.12 119.46 2wa3 n MET 275 Ca 0.11 0.71 0.00 0.00 0.00 0.00 0.00 57.70 58.52 2wa3 n MET 275 Cb 0.49 -2.45 0.00 0.00 0.00 0.00 0.00 33.22 31.27 2wa3 n MET 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2wa3 n TYR 276 N -0.25 0.00 -2.56 3.17 4.01 -0.19 -4.98 117.16 116.37 2wa3 n TYR 276 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 2wa3 n TYR 276 Cb 0.40 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 2wa3 n TYR 276 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2wa3 s TRP 277 N -2.92 3.65 0.35 -0.72 0.52 -0.94 -4.21 118.94 114.67 2wa3 s TRP 277 Ca 0.00 1.65 -0.28 0.00 0.02 0.00 0.00 56.10 57.49 2wa3 s TRP 277 Cb 0.00 -3.22 -0.10 0.00 -1.15 0.00 0.00 33.47 29.00 2wa3 s TRP 277 CO 0.00 -0.42 1.27 -1.58 0.02 0.00 0.00 176.95 176.24 2wa3 s TRP 278 N -0.24 3.05 0.01 -1.98 0.52 -0.19 -4.45 118.94 115.64 2wa3 s TRP 278 Ca 0.49 1.46 0.01 0.00 0.02 0.00 0.00 56.10 58.07 2wa3 s TRP 278 Cb -0.28 -3.60 -0.01 0.00 -1.15 0.00 0.00 33.47 28.43 2wa3 s TRP 278 CO 0.34 -1.72 -0.02 -3.38 0.02 0.00 0.00 176.95 172.19 2wa3 s HIS 279 N -1.21 0.22 -0.14 -1.98 -3.43 0.19 -1.78 115.29 107.16 2wa3 s HIS 279 Ca 0.51 -0.16 0.02 0.00 -0.80 0.00 0.00 55.06 54.64 2wa3 s HIS 279 Cb -0.37 -0.14 0.01 0.00 -1.43 0.00 0.00 32.58 30.65 2wa3 s HIS 279 CO 0.49 -0.04 -0.20 -1.58 -2.00 0.00 0.00 174.74 171.40 2wa3 s HIS 280 N -0.40 2.54 -0.14 0.38 5.04 -0.14 -1.66 115.29 120.91 2wa3 s HIS 280 Ca -0.03 -1.30 -0.00 0.00 -1.54 0.00 0.00 55.06 52.19 2wa3 s HIS 280 Cb -0.03 -1.75 0.03 0.00 0.04 0.00 0.00 32.58 30.87 2wa3 s HIS 280 CO -0.00 -0.61 -0.09 0.42 -2.34 0.00 0.00 174.74 172.12 2wa3 s ILE 281 N 0.91 1.26 -0.08 0.89 1.01 -0.42 -1.50 121.20 123.27 2wa3 s ILE 281 Ca -0.05 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2wa3 s ILE 281 Cb -0.15 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2wa3 s ILE 281 CO -0.03 0.32 -0.16 -1.83 0.00 0.00 0.00 174.94 173.23 2wa3 s GLU 282 N 1.60 2.18 -0.13 2.79 -1.05 0.35 -0.63 118.70 123.80 2wa3 s GLU 282 Ca 0.03 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 2wa3 s GLU 282 Cb -0.14 -1.72 -0.01 0.00 -0.44 0.00 0.00 34.13 31.82 2wa3 s GLU 282 CO -0.09 0.08 0.99 -1.12 0.95 0.00 0.00 175.26 176.08 2wa3 s SER 283 N 0.54 7.20 0.30 0.83 0.01 0.10 -0.64 113.70 122.04 2wa3 s SER 283 Ca -0.16 1.48 -0.28 0.00 1.31 0.00 0.00 55.95 58.29 2wa3 s SER 283 Cb -0.17 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.39 2wa3 s SER 283 CO 0.06 -0.47 1.13 0.18 0.41 0.00 0.00 173.24 174.54 2wa3 n LEU 284 N 5.21 2.46 -4.70 2.44 4.77 -1.02 -1.15 117.00 125.01 2wa3 n LEU 284 Ca 0.09 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.82 2wa3 n LEU 284 Cb 0.48 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2wa3 n LEU 284 CO 0.52 -1.04 0.98 0.18 -1.33 0.00 0.00 177.39 176.69 2wa3 n LEU 285 N 1.11 3.50 -1.66 2.23 4.77 -0.93 -2.62 117.00 123.40 2wa3 n LEU 285 Ca 0.08 1.18 -0.13 0.00 -0.03 0.00 0.00 56.01 57.11 2wa3 n LEU 285 Cb 0.33 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 2wa3 n LEU 285 CO 0.61 -0.41 -0.13 0.59 -1.33 0.00 0.00 177.39 176.71 2wa3 n ASN 286 N 1.35 -3.55 -0.70 -1.43 3.02 -1.26 -4.73 115.26 107.96 2wa3 n ASN 286 Ca 0.07 0.28 0.09 0.00 -0.03 0.00 0.00 54.58 54.99 2wa3 n ASN 286 Cb 0.35 -3.24 0.07 0.00 -0.61 0.00 0.00 39.78 36.34 2wa3 n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wa3 n GLY 287 N -0.40 0.34 0.00 7.41 0.00 -1.08 -5.11 105.19 106.36 2wa3 n GLY 287 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wa3 n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wa3 n GLY 288 N 1.02 -1.90 3.76 -0.02 0.00 -1.26 -4.76 105.19 102.03 2wa3 n GLY 288 Ca 0.10 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 2wa3 n GLY 288 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wa3 s ILE 289 N -0.27 3.40 -0.07 -0.61 -5.25 -1.26 -2.87 121.20 114.27 2wa3 s ILE 289 Ca 0.00 1.35 0.01 0.00 -0.99 0.00 0.00 60.65 61.02 2wa3 s ILE 289 Cb 0.00 -3.84 -0.03 0.00 2.95 0.00 0.00 42.46 41.54 2wa3 s ILE 289 CO 0.00 0.28 -0.08 0.42 -1.79 0.00 0.00 174.94 173.76 2wa3 s THR 290 N -1.23 3.56 -0.06 8.37 -4.23 -0.65 -4.14 115.64 117.25 2wa3 s THR 290 Ca 0.47 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 2wa3 s THR 290 Cb -0.32 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2wa3 s THR 290 CO 0.41 0.59 -0.24 -0.63 -0.54 0.00 0.00 174.62 174.20 2wa3 s ILE 291 N -0.65 2.01 0.02 2.99 1.01 -0.29 0.11 121.20 126.39 2wa3 s ILE 291 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2wa3 s ILE 291 Cb -0.11 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2wa3 s ILE 291 CO 0.02 0.56 -0.03 -0.89 0.00 0.00 0.00 174.94 174.60 2wa3 s THR 292 N -0.08 0.14 -0.03 2.92 2.01 0.36 -1.66 115.64 119.29 2wa3 s THR 292 Ca -0.06 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.39 2wa3 s THR 292 Cb -0.14 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2wa3 s THR 292 CO 0.04 -0.31 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.74 2wa3 s VAL 293 N -0.95 2.24 0.24 3.82 1.01 0.10 -0.27 120.40 126.58 2wa3 s VAL 293 Ca -0.10 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 60.95 2wa3 s VAL 293 Cb -0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2wa3 s VAL 293 CO -0.01 0.58 -0.09 0.54 0.00 0.00 0.00 175.10 176.13 2wa3 s ASN 294 N -0.57 4.18 -0.13 3.32 2.20 -0.75 -0.43 114.94 122.75 2wa3 s ASN 294 Ca 0.09 -0.73 -0.00 0.00 -0.94 0.00 0.00 52.86 51.27 2wa3 s ASN 294 Cb -0.11 -0.65 0.03 0.00 -2.00 0.00 0.00 41.25 38.52 2wa3 s ASN 294 CO -0.00 0.04 -0.08 -0.36 -2.94 0.00 0.00 177.10 173.77 2wa3 s PHE 295 N -2.16 1.64 -0.15 1.54 0.40 -0.58 -3.13 117.98 115.54 2wa3 s PHE 295 Ca 0.29 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.68 2wa3 s PHE 295 Cb -0.07 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 2wa3 s PHE 295 CO 0.17 -0.56 -0.05 -1.58 0.70 0.00 0.00 175.22 173.90 2wa3 s TRP 296 N 1.66 3.00 -0.02 0.36 0.52 -0.72 -1.37 118.94 122.37 2wa3 s TRP 296 Ca 0.04 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.89 2wa3 s TRP 296 Cb -0.13 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2wa3 s TRP 296 CO -0.08 -0.05 -0.21 0.71 0.02 0.00 0.00 176.95 177.33 2wa3 s TYR 297 N 0.34 1.95 0.32 -1.98 1.51 -0.05 -0.46 117.35 118.98 2wa3 s TYR 297 Ca -0.05 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 2wa3 s TYR 297 Cb -0.14 -1.26 -0.13 0.00 -0.11 0.00 0.00 41.96 40.32 2wa3 s TYR 297 CO 0.03 -0.05 1.23 1.63 -1.11 0.00 0.00 175.55 177.28 2wa3 n LYS 298 N 2.62 1.93 -1.61 -0.62 4.76 -1.08 -0.52 118.16 123.64 2wa3 n LYS 298 Ca -0.16 0.68 -0.29 0.00 -2.87 0.00 0.00 58.31 55.67 2wa3 n LYS 298 Cb 0.53 -2.22 0.13 0.00 -1.84 0.00 0.00 35.03 31.63 2wa3 n LYS 298 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wa3 s GLY 299 N -0.31 1.59 0.67 0.72 0.00 -1.26 -0.42 107.32 108.30 2wa3 s GLY 299 Ca 0.57 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 2wa3 s GLY 299 CO 0.61 -0.03 1.21 0.00 0.00 0.00 0.00 173.10 174.88 2wa3 n ALA 300 N -3.71 0.75 -1.62 3.20 0.00 -1.26 -3.80 120.51 114.07 2wa3 n ALA 300 Ca 0.07 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2wa3 n ALA 300 Cb 0.60 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.81 2wa3 n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wa3 s PRO 301 N -3.37 3.00 0.37 0.00 0.04 -1.26 -4.96 135.00 128.83 2wa3 s PRO 301 Ca 0.80 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 2wa3 s PRO 301 Cb -0.37 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.09 2wa3 s PRO 301 CO 0.43 -1.11 1.49 2.41 0.04 0.00 0.00 177.00 180.26 2wa3 n THR 302 N -1.93 1.96 -0.83 1.26 -1.04 -1.26 -4.98 114.28 107.46 2wa3 n THR 302 Ca 0.11 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.05 61.30 2wa3 n THR 302 Cb 0.51 -1.97 0.11 0.00 -1.82 0.00 0.00 70.33 67.15 2wa3 n THR 302 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wa3 n PRO 303 N 0.50 -0.25 0.07 -2.82 -0.05 -1.26 -4.99 135.00 126.21 2wa3 n PRO 303 Ca 0.02 -0.04 -0.10 0.00 -0.05 0.00 0.00 63.50 63.33 2wa3 n PRO 303 Cb 0.39 -1.69 -0.07 0.00 -0.05 0.00 0.00 33.50 32.08 2wa3 n PRO 303 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 175.50 175.23 2wa3 h LYS 304 N -1.46 -0.26 -5.07 0.54 3.11 -2.06 -3.41 116.57 107.96 2wa3 h LYS 304 Ca -0.44 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.35 2wa3 h LYS 304 Cb 1.29 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.55 2wa3 h LYS 304 CO 0.32 0.12 0.81 2.89 -2.81 0.00 0.00 179.45 180.77 2wa3 n ARG 305 N -4.96 0.11 -2.46 1.90 1.85 -1.26 -4.98 116.66 106.86 2wa3 n ARG 305 Ca -0.07 -0.58 -0.43 0.00 -1.00 0.00 0.00 57.85 55.77 2wa3 n ARG 305 Cb 0.25 -2.19 -0.02 0.00 -1.05 0.00 0.00 32.46 29.45 2wa3 n ARG 305 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2wa3 s ILE 306 N 6.88 4.21 0.18 8.89 1.01 -1.26 -5.04 121.20 136.07 2wa3 s ILE 306 Ca 0.63 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 62.40 2wa3 s ILE 306 Cb -0.21 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 2wa3 s ILE 306 CO 0.18 -0.47 0.80 -1.83 0.00 0.00 0.00 174.94 173.62 2wa3 s GLU 307 N 4.05 4.59 -0.04 2.79 1.03 -1.26 -5.10 118.70 124.76 2wa3 s GLU 307 Ca 0.54 1.19 0.05 0.00 0.03 0.00 0.00 54.97 56.78 2wa3 s GLU 307 Cb -0.16 -3.24 -0.01 0.00 -0.80 0.00 0.00 34.13 29.92 2wa3 s GLU 307 CO 0.22 0.56 -0.20 0.71 -1.33 0.00 0.00 175.26 175.21 2wa3 s TYR 308 N -1.17 1.95 0.56 4.83 2.02 -1.26 -3.65 117.35 120.63 2wa3 s TYR 308 Ca 0.37 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.42 2wa3 s TYR 308 Cb -0.23 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.99 2wa3 s TYR 308 CO 0.27 -0.16 0.96 -1.25 -1.57 0.00 0.00 175.55 173.80 2wa3 s PRO 309 N -0.12 3.67 0.96 -1.71 0.05 -1.26 -5.15 135.00 131.44 2wa3 s PRO 309 Ca -0.02 0.67 -0.11 0.00 0.05 0.00 0.00 61.00 61.59 2wa3 s PRO 309 Cb -0.12 -2.17 0.13 0.00 0.05 0.00 0.00 34.50 32.40 2wa3 s PRO 309 CO 0.02 -0.41 0.89 1.28 0.05 0.00 0.00 177.00 178.83 2wa3 n LEU 310 N -2.34 1.76 -4.86 -3.56 4.32 -1.24 -5.04 117.00 106.04 2wa3 n LEU 310 Ca 0.05 0.33 -0.31 0.00 -0.02 0.00 0.00 56.01 56.06 2wa3 n LEU 310 Cb 0.54 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 40.95 2wa3 n LEU 310 CO 0.54 -2.70 0.58 -0.54 -1.22 0.00 0.00 177.39 174.05 2wa3 s LYS 311 N -4.30 3.79 0.25 3.23 -0.14 -1.26 -4.92 119.74 116.39 2wa3 s LYS 311 Ca 0.64 0.67 -0.06 0.00 -1.36 0.00 0.00 55.97 55.86 2wa3 s LYS 311 Cb -0.22 -2.24 0.45 0.00 -1.68 0.00 0.00 37.83 34.14 2wa3 s LYS 311 CO 0.62 -0.23 1.66 0.00 -0.76 0.00 0.00 175.35 176.63 2wa3 h ALA 312 N 0.77 0.87 -0.05 5.17 0.00 -1.96 0.38 119.26 124.44 2wa3 h ALA 312 Ca -0.46 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2wa3 h ALA 312 Cb 1.19 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2wa3 h ALA 312 CO 0.62 -0.40 -0.11 1.12 0.00 0.00 0.00 179.25 180.49 2wa3 h HIS 313 N 0.17 0.07 -0.15 0.00 2.07 -1.94 0.11 115.15 115.48 2wa3 h HIS 313 Ca 0.42 -0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.78 2wa3 h HIS 313 Cb 0.73 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.70 2wa3 h HIS 313 CO -0.35 0.18 -0.50 1.96 -3.07 0.00 0.00 177.93 176.16 2wa3 h GLN 314 N 0.07 0.60 -0.77 5.12 4.20 -1.31 -0.26 115.11 122.76 2wa3 h GLN 314 Ca 0.02 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.30 2wa3 h GLN 314 Cb 0.23 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2wa3 h GLN 314 CO 0.01 1.07 0.51 0.87 -0.67 0.00 0.00 178.83 180.62 2wa3 h LYS 315 N 0.26 0.98 -0.76 1.46 1.57 -1.16 0.43 116.57 119.35 2wa3 h LYS 315 Ca -0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wa3 h LYS 315 Cb 1.12 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 2wa3 h LYS 315 CO 0.11 0.65 0.34 0.28 -0.57 0.00 0.00 179.45 180.25 2wa3 h VAL 316 N 1.01 1.25 -0.32 0.50 2.07 -0.33 -1.53 116.25 118.89 2wa3 h VAL 316 Ca 0.29 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2wa3 h VAL 316 Cb -0.05 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2wa3 h VAL 316 CO -0.07 0.30 0.16 0.00 0.02 0.00 0.00 177.57 177.98 2wa3 h ALA 317 N 1.17 0.41 -0.63 1.67 0.00 -0.02 -1.55 119.26 120.31 2wa3 h ALA 317 Ca 0.26 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2wa3 h ALA 317 Cb 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2wa3 h ALA 317 CO -0.03 -0.03 0.26 0.82 0.00 0.00 0.00 179.25 180.27 2wa3 h ILE 318 N 0.38 0.80 -0.26 0.00 2.04 -0.81 -1.57 117.51 118.09 2wa3 h ILE 318 Ca 0.11 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2wa3 h ILE 318 Cb 0.11 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2wa3 h ILE 318 CO -0.01 0.08 0.14 0.24 0.00 0.00 0.00 178.15 178.60 2wa3 h MET 319 N 0.46 0.28 -1.00 2.37 2.86 -0.63 0.28 114.93 119.56 2wa3 h MET 319 Ca 0.31 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.01 2wa3 h MET 319 Cb 0.36 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 2wa3 h MET 319 CO -0.29 0.19 0.65 0.00 1.06 0.00 0.00 176.91 178.52 2wa3 h ARG 320 N 0.29 1.12 -0.29 1.72 3.08 -0.99 -2.36 114.38 116.95 2wa3 h ARG 320 Ca 0.10 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2wa3 h ARG 320 Cb 0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2wa3 h ARG 320 CO -0.06 0.74 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.45 2wa3 h ASN 321 N 1.16 0.70 -0.12 7.04 2.35 -0.15 -1.06 115.58 125.49 2wa3 h ASN 321 Ca 0.44 -0.45 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2wa3 h ASN 321 Cb 0.20 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 2wa3 h ASN 321 CO -0.18 1.00 -0.17 0.40 -1.65 0.00 0.00 177.43 176.83 2wa3 h ILE 322 N 0.40 0.56 -0.84 2.81 2.04 -0.75 -0.16 117.51 121.57 2wa3 h ILE 322 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 2wa3 h ILE 322 Cb 0.78 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2wa3 h ILE 322 CO 0.06 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 178.37 2wa3 h GLU 323 N -0.22 0.79 0.14 2.37 5.08 -1.35 -0.78 114.58 120.60 2wa3 h GLU 323 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2wa3 h GLU 323 Cb 0.35 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wa3 h GLU 323 CO -0.25 0.52 -0.07 0.87 -1.00 0.00 0.00 179.01 179.09 2wa3 h LYS 324 N 0.82 -0.18 -0.04 2.33 1.57 -0.62 -2.47 116.57 117.98 2wa3 h LYS 324 Ca 0.41 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.23 2wa3 h LYS 324 Cb 0.37 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2wa3 h LYS 324 CO -0.25 0.20 -0.20 0.52 -0.57 0.00 0.00 179.45 179.15 2wa3 h MET 325 N -0.61 -0.30 -0.60 3.15 2.86 -0.87 -2.79 114.93 115.78 2wa3 h MET 325 Ca -0.02 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2wa3 h MET 325 Cb 0.46 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 2wa3 h MET 325 CO 0.03 -0.20 0.29 1.25 1.06 0.00 0.00 176.91 179.35 2wa3 h LEU 326 N -0.31 0.40 -0.93 1.22 5.85 -1.20 0.19 115.31 120.53 2wa3 h LEU 326 Ca 0.07 0.05 0.27 0.00 0.84 0.00 0.00 57.88 59.11 2wa3 h LEU 326 Cb 0.40 -0.02 -0.15 0.00 0.37 0.00 0.00 40.66 41.26 2wa3 h LEU 326 CO -0.21 0.25 0.34 1.23 -0.34 0.00 0.00 178.44 179.71 2wa3 h GLY 327 N 0.54 1.61 1.38 3.75 0.00 -1.18 -1.21 103.07 107.96 2wa3 h GLY 327 Ca 0.28 -0.09 -0.32 0.00 0.00 0.00 0.00 47.33 47.21 2wa3 h GLY 327 CO -0.22 -0.44 -1.41 0.83 0.00 0.00 0.00 176.54 175.30 2wa3 h GLU 328 N 0.22 0.44 -0.60 4.80 5.08 -0.66 -3.03 114.58 120.83 2wa3 h GLU 328 Ca 0.62 -0.76 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2wa3 h GLU 328 Cb 1.34 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 2wa3 h GLU 328 CO -0.66 1.36 0.04 0.00 -1.00 0.00 0.00 179.01 178.75 2wa3 h ALA 329 N 0.30 0.95 0.00 3.43 0.00 -0.34 -2.91 119.26 120.70 2wa3 h ALA 329 Ca -0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wa3 h ALA 329 Cb 2.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2wa3 h ALA 329 CO 0.25 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.42 2wa3 n LEU 330 N -4.20 0.65 0.00 0.00 4.77 -0.49 -4.92 117.00 112.81 2wa3 n LEU 330 Ca 0.03 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2wa3 n LEU 330 Cb 0.31 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2wa3 n LEU 330 CO 0.43 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2wa3 n GLY 331 N 1.26 0.65 3.55 -0.72 0.00 -1.10 -4.94 105.19 103.89 2wa3 n GLY 331 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wa3 n GLY 331 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wa3 s ASN 332 N -2.61 -1.13 0.26 1.61 2.47 -1.17 -5.02 114.94 109.35 2wa3 s ASN 332 Ca 0.00 1.40 0.19 0.00 0.42 0.00 0.00 52.86 54.87 2wa3 s ASN 332 Cb 0.00 2.23 0.96 0.00 -1.45 0.00 0.00 41.25 42.99 2wa3 s ASN 332 CO 0.00 -0.22 1.57 -0.81 -3.72 0.00 0.00 177.10 173.93 2wa3 n PRO 333 N 5.41 0.12 0.00 0.43 -0.04 -1.26 -1.83 135.00 137.84 2wa3 n PRO 333 Ca -0.10 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 2wa3 n PRO 333 Cb 0.50 -1.87 0.63 0.00 -0.04 0.00 0.00 33.50 32.72 2wa3 n PRO 333 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wa3 n GLN 334 N -2.13 0.19 0.00 0.54 1.13 -1.26 -2.91 117.38 112.94 2wa3 n GLN 334 Ca -0.00 0.03 0.12 0.00 -1.94 0.00 0.00 57.00 55.21 2wa3 n GLN 334 Cb 0.07 -1.50 0.18 0.00 0.11 0.00 0.00 30.24 29.10 2wa3 n GLN 334 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2wa3 n GLU 335 N -1.39 1.27 0.17 -1.09 1.02 -0.76 -4.39 120.64 115.47 2wa3 n GLU 335 Ca 0.10 -0.95 -0.14 0.00 -0.02 0.00 0.00 57.16 56.15 2wa3 n GLU 335 Cb 0.27 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 2wa3 n GLU 335 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wa3 h VAL 336 N 2.31 0.66 -0.21 2.62 2.07 -1.68 -2.75 116.25 119.27 2wa3 h VAL 336 Ca 0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2wa3 h VAL 336 Cb 0.68 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2wa3 h VAL 336 CO 0.00 0.10 -0.49 1.23 0.02 0.00 0.00 177.57 178.43 2wa3 h GLY 337 N -0.74 -1.14 0.87 2.17 0.00 -1.78 -0.70 103.07 101.76 2wa3 h GLY 337 Ca -0.05 0.70 0.10 0.00 0.00 0.00 0.00 47.33 48.09 2wa3 h GLY 337 CO 0.08 -0.22 0.49 -2.55 0.00 0.00 0.00 176.54 174.34 2wa3 h PRO 338 N -0.46 0.63 -0.28 4.80 0.11 -1.79 -0.55 132.00 134.47 2wa3 h PRO 338 Ca 0.04 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2wa3 h PRO 338 Cb 0.57 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2wa3 h PRO 338 CO -0.44 0.42 -0.07 1.25 -0.21 0.00 0.00 178.00 178.94 2wa3 h LEU 339 N 0.65 0.55 -0.41 2.35 6.46 -1.17 -1.61 115.31 122.12 2wa3 h LEU 339 Ca 0.35 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2wa3 h LEU 339 Cb 0.48 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 2wa3 h LEU 339 CO -0.13 0.79 0.22 -0.07 -0.62 0.00 0.00 178.44 178.63 2wa3 h LEU 340 N 0.29 0.52 -0.50 2.25 3.38 -0.35 -1.21 115.31 119.69 2wa3 h LEU 340 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wa3 h LEU 340 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2wa3 h LEU 340 CO 0.03 0.47 0.27 0.78 0.09 0.00 0.00 178.44 180.09 2wa3 h ASN 341 N 0.53 0.63 -0.36 -0.43 2.35 -1.07 -2.62 115.58 114.61 2wa3 h ASN 341 Ca 0.14 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2wa3 h ASN 341 Cb 0.07 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2wa3 h ASN 341 CO -0.02 0.54 0.18 0.74 -1.65 0.00 0.00 177.43 177.22 2wa3 h THR 342 N 0.67 0.99 -0.90 2.81 2.02 -1.02 -1.78 112.91 115.70 2wa3 h THR 342 Ca 0.18 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.36 2wa3 h THR 342 Cb 0.05 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 2wa3 h THR 342 CO -0.03 0.07 0.58 -0.03 0.37 0.00 0.00 175.52 176.48 2wa3 h MET 343 N 0.37 0.74 0.00 6.66 1.85 -1.02 -3.33 114.93 120.21 2wa3 h MET 343 Ca 0.15 -0.04 -0.36 0.00 -0.61 0.00 0.00 59.70 58.83 2wa3 h MET 343 Cb 0.05 -0.17 -0.07 0.00 0.43 0.00 0.00 31.60 31.85 2wa3 h MET 343 CO -0.10 0.49 -2.30 -0.89 -0.40 0.00 0.00 176.91 173.72 2wa3 n ILE 344 N -4.56 1.43 -2.66 1.77 -0.00 -0.99 -4.67 119.36 109.67 2wa3 n ILE 344 Ca 0.17 -0.84 -0.41 0.00 -0.00 0.00 0.00 62.75 61.67 2wa3 n ILE 344 Cb 0.42 -0.59 -0.05 0.00 -0.00 0.00 0.00 39.64 39.42 2wa3 n ILE 344 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 2wa3 s LYS 345 N -2.51 4.71 0.00 0.38 -2.85 -0.70 -1.06 119.74 117.70 2wa3 s LYS 345 Ca -0.10 1.55 0.00 0.00 -1.00 0.00 0.00 55.97 56.42 2wa3 s LYS 345 Cb 0.06 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 2wa3 s LYS 345 CO 0.82 0.25 0.00 0.41 0.10 0.00 0.00 175.35 176.93 2wa3 n GLY 346 N 1.95 0.26 0.74 0.59 0.00 -1.26 -4.79 105.19 102.69 2wa3 n GLY 346 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wa3 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wa3 n ARG 347 N -1.06 0.00 -0.03 1.61 1.74 -1.01 -4.83 116.66 113.07 2wa3 n ARG 347 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2wa3 n ARG 347 Cb 0.20 -0.56 0.04 0.00 -1.02 0.00 0.00 32.46 31.12 2wa3 n ARG 347 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wa3 n TYR 348 N -2.56 0.09 -1.08 -1.55 4.01 -0.23 -5.08 117.16 110.76 2wa3 n TYR 348 Ca 0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2wa3 n TYR 348 Cb 0.34 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2wa3 n TYR 348 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67