#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wd3 s GLY 19 N 0.00 2.07 0.23 3.03 0.00 -1.26 -4.88 107.32 106.51 1wd3 s GLY 19 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 44.72 42.89 1wd3 s GLY 19 CO 0.00 -1.75 1.66 -2.55 0.00 0.00 0.00 173.10 170.45 1wd3 h PRO 20 N 0.63 0.12 0.00 2.90 0.11 -1.85 -0.70 132.00 133.21 1wd3 h PRO 20 Ca -0.36 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.68 1wd3 h PRO 20 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1wd3 h PRO 20 CO 0.51 0.08 -0.28 0.00 -0.21 0.00 0.00 178.00 178.10 1wd3 h ASP 22 N 0.00 0.52 -0.25 0.00 3.32 -1.33 -1.19 116.42 117.49 1wd3 h ASP 22 Ca -0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1wd3 h ASP 22 Cb 0.74 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1wd3 h ASP 22 CO 0.04 0.95 -0.13 0.40 -1.72 0.00 0.00 179.24 178.77 1wd3 h ILE 23 N 0.37 1.30 -0.79 0.35 2.04 -0.65 -1.47 117.51 118.66 1wd3 h ILE 23 Ca 0.01 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1wd3 h ILE 23 Cb 1.04 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1wd3 h ILE 23 CO 0.09 0.38 0.30 1.88 0.00 0.00 0.00 178.15 180.81 1wd3 h TYR 24 N 0.26 1.21 -0.57 1.37 0.05 -1.11 -0.91 116.97 117.27 1wd3 h TYR 24 Ca 0.06 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1wd3 h TYR 24 Cb 0.64 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1wd3 h TYR 24 CO 0.06 0.92 0.33 1.49 -1.05 0.00 0.00 178.16 179.91 1wd3 h GLU 25 N 1.15 0.79 0.00 4.88 4.22 -1.11 -0.94 114.58 123.57 1wd3 h GLU 25 Ca 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.61 1wd3 h GLU 25 Cb 0.23 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1wd3 h GLU 25 CO -0.02 0.59 -0.06 0.00 -2.18 0.00 0.00 179.01 177.34 1wd3 h ALA 26 N 1.16 1.06 -0.37 2.92 0.00 -0.84 -1.75 119.26 121.43 1wd3 h ALA 26 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wd3 h ALA 26 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wd3 h ALA 26 CO -0.04 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1wd3 n GLY 27 N -0.29 0.93 2.27 0.00 0.00 -0.39 -4.93 105.19 102.78 1wd3 n GLY 27 Ca -0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1wd3 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wd3 n ASP 28 N 0.74 -4.11 -3.14 1.61 8.00 -0.66 -4.77 116.55 114.20 1wd3 n ASP 28 Ca 0.16 0.07 -0.22 0.00 0.71 0.00 0.00 54.79 55.51 1wd3 n ASP 28 Cb 0.38 -3.17 -0.06 0.00 -0.02 0.00 0.00 41.12 38.26 1wd3 n ASP 28 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wd3 n THR 29 N -3.66 -0.65 -1.59 -3.53 -2.24 -0.62 -4.89 114.28 97.11 1wd3 n THR 29 Ca -0.14 -3.58 -0.37 0.00 -2.27 0.00 0.00 64.05 57.68 1wd3 n THR 29 Cb 0.56 -1.43 0.06 0.00 -2.10 0.00 0.00 70.33 67.42 1wd3 n THR 29 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1wd3 n PRO 30 N 1.60 0.81 -2.37 -0.78 -0.02 -1.24 -4.31 135.00 128.69 1wd3 n PRO 30 Ca 0.20 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 1wd3 n PRO 30 Cb 0.54 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1wd3 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wd3 n VAL 32 N 1.24 0.00 -3.64 0.00 0.24 0.54 -4.87 118.33 111.85 1wd3 n VAL 32 Ca -0.00 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 1wd3 n VAL 32 Cb 0.44 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1wd3 n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wd3 s ALA 33 N -1.04 -1.88 -0.10 2.33 0.00 -1.10 -4.71 121.76 115.26 1wd3 s ALA 33 Ca 0.04 2.42 -0.03 0.00 0.00 0.00 0.00 51.96 54.40 1wd3 s ALA 33 Cb 0.04 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.78 1wd3 s ALA 33 CO 0.15 -0.38 0.06 0.00 0.00 0.00 0.00 175.76 175.59 1wd3 s ALA 34 N 1.64 0.38 -0.07 0.00 0.00 -1.26 -1.31 121.76 121.15 1wd3 s ALA 34 Ca -0.10 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1wd3 s ALA 34 Cb -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1wd3 s ALA 34 CO -0.20 -0.77 -0.18 -1.01 0.00 0.00 0.00 175.76 173.60 1wd3 s HIS 35 N 2.12 1.95 -0.28 0.00 3.76 -0.03 -0.57 115.29 122.24 1wd3 s HIS 35 Ca 0.04 -0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 54.04 1wd3 s HIS 35 Cb -0.14 -1.33 0.12 0.00 1.11 0.00 0.00 32.58 32.34 1wd3 s HIS 35 CO -0.06 -0.28 0.96 0.45 -0.85 0.00 0.00 174.74 174.96 1wd3 s SER 36 N 0.32 -0.53 0.00 1.40 0.15 -1.26 -0.91 113.70 112.86 1wd3 s SER 36 Ca -0.12 0.94 0.23 0.00 0.70 0.00 0.00 55.95 57.70 1wd3 s SER 36 Cb -0.15 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1wd3 s SER 36 CO 0.05 -0.16 1.08 0.35 1.20 0.00 0.00 173.24 175.77 1wd3 n THR 37 N 2.96 0.00 -0.11 6.45 -2.24 -1.19 -4.45 114.28 115.69 1wd3 n THR 37 Ca -0.15 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1wd3 n THR 37 Cb 0.57 1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 69.77 1wd3 n THR 37 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wd3 n THR 38 N -0.44 1.45 -3.67 4.28 -2.24 -1.25 -4.33 114.28 108.08 1wd3 n THR 38 Ca 0.08 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 61.07 1wd3 n THR 38 Cb 0.43 -1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 1wd3 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wd3 s ARG 39 N -2.51 1.55 0.29 -0.78 1.70 -1.26 -1.21 118.95 116.73 1wd3 s ARG 39 Ca -0.24 -0.76 -0.29 0.00 -0.47 0.00 0.00 55.73 53.97 1wd3 s ARG 39 Cb 0.08 0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 34.96 1wd3 s ARG 39 CO 0.71 -0.70 1.10 0.00 -1.08 0.00 0.00 175.30 175.33 1wd3 s ALA 40 N -3.85 3.38 -2.44 7.88 0.00 -0.62 -4.67 121.76 121.44 1wd3 s ALA 40 Ca 0.07 0.89 0.21 0.00 0.00 0.00 0.00 51.96 53.13 1wd3 s ALA 40 Cb -0.04 -3.33 0.23 0.00 0.00 0.00 0.00 23.12 19.99 1wd3 s ALA 40 CO -0.02 -0.19 1.21 1.28 0.00 0.00 0.00 175.76 178.04 1wd3 n LEU 41 N 1.04 2.89 -4.14 0.00 4.77 -1.26 -4.78 117.00 115.53 1wd3 n LEU 41 Ca -0.00 -1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 54.55 1wd3 n LEU 41 Cb 0.45 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1wd3 n LEU 41 CO 0.53 0.54 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.33 1wd3 s TYR 42 N -1.60 1.63 0.58 -1.77 2.02 -1.26 -1.60 117.35 115.34 1wd3 s TYR 42 Ca 0.27 -0.41 0.28 0.00 -0.37 0.00 0.00 57.07 56.84 1wd3 s TYR 42 Cb 0.18 -1.08 1.74 0.00 -0.40 0.00 0.00 41.96 42.40 1wd3 s TYR 42 CO 0.26 -0.12 2.24 0.66 -1.57 0.00 0.00 175.55 177.02 1wd3 h SER 43 N 6.08 0.00 -0.03 2.29 4.64 -1.89 -2.29 113.55 122.36 1wd3 h SER 43 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1wd3 h SER 43 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1wd3 h SER 43 CO 0.48 0.01 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.81 1wd3 n SER 44 N -3.93 2.78 -4.69 4.97 3.41 -1.26 -2.71 113.62 112.19 1wd3 n SER 44 Ca -0.03 -1.89 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 1wd3 n SER 44 Cb 0.09 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1wd3 n SER 44 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1wd3 s PHE 45 N -2.10 3.21 0.00 7.33 5.36 -0.86 -4.67 117.98 126.25 1wd3 s PHE 45 Ca 0.26 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1wd3 s PHE 45 Cb 0.20 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1wd3 s PHE 45 CO 0.35 -1.41 0.41 -1.13 -1.46 0.00 0.00 175.22 171.98 1wd3 n SER 46 N 4.96 0.54 -2.86 6.13 3.41 -1.26 -0.43 113.62 124.12 1wd3 n SER 46 Ca 0.11 -1.17 -0.12 0.00 -0.26 0.00 0.00 58.87 57.43 1wd3 n SER 46 Cb 0.46 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.50 1wd3 n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wd3 n GLY 47 N -0.08 -1.88 3.73 5.00 0.00 -1.26 -4.47 105.19 106.23 1wd3 n GLY 47 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1wd3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 s ALA 48 N -3.54 3.56 -0.05 4.61 0.00 -1.26 -4.00 121.76 121.08 1wd3 s ALA 48 Ca 0.30 1.15 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 1wd3 s ALA 48 Cb -0.02 -3.51 -0.30 0.00 0.00 0.00 0.00 23.12 19.29 1wd3 s ALA 48 CO 0.22 -0.59 0.65 -0.07 0.00 0.00 0.00 175.76 175.97 1wd3 h LEU 49 N 5.67 0.57 -7.93 0.00 3.38 -0.76 -3.43 115.31 112.80 1wd3 h LEU 49 Ca -0.44 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 56.73 1wd3 h LEU 49 Cb 1.21 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1wd3 h LEU 49 CO 0.80 1.76 0.28 -0.72 0.09 0.00 0.00 178.44 180.65 1wd3 s TYR 50 N -2.58 -0.17 0.03 1.13 -0.85 -1.16 -1.61 117.35 112.14 1wd3 s TYR 50 Ca -0.16 -0.26 0.08 0.00 -0.52 0.00 0.00 57.07 56.21 1wd3 s TYR 50 Cb 0.06 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 43.06 1wd3 s TYR 50 CO 0.84 -1.16 -0.21 -1.14 -1.52 0.00 0.00 175.55 172.37 1wd3 s GLN 51 N -3.77 2.03 0.16 -3.49 0.74 0.06 -1.22 119.66 114.17 1wd3 s GLN 51 Ca 0.11 -0.99 0.09 0.00 0.05 0.00 0.00 55.36 54.63 1wd3 s GLN 51 Cb -0.05 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 1wd3 s GLN 51 CO 0.06 0.54 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.68 1wd3 s LEU 52 N -1.22 2.79 -0.04 3.68 1.43 0.68 -1.41 118.68 124.60 1wd3 s LEU 52 Ca 0.13 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1wd3 s LEU 52 Cb -0.10 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1wd3 s LEU 52 CO 0.03 0.13 0.04 -1.58 0.23 0.00 0.00 176.35 175.20 1wd3 s GLN 53 N -2.59 0.09 0.11 1.70 0.74 -0.51 -1.92 119.66 117.29 1wd3 s GLN 53 Ca 0.22 0.27 -0.03 0.00 0.05 0.00 0.00 55.36 55.87 1wd3 s GLN 53 Cb -0.09 -0.55 -0.05 0.00 1.10 0.00 0.00 33.01 33.42 1wd3 s GLN 53 CO 0.13 -0.28 0.31 -0.98 -0.55 0.00 0.00 175.29 173.92 1wd3 s ARG 54 N 1.85 3.54 0.37 1.67 1.70 -0.85 -1.02 118.95 126.21 1wd3 s ARG 54 Ca 0.01 -0.24 0.26 0.00 -0.47 0.00 0.00 55.73 55.29 1wd3 s ARG 54 Cb -0.12 -2.92 0.75 0.00 -0.57 0.00 0.00 34.95 32.08 1wd3 s ARG 54 CO -0.03 0.52 1.74 0.78 -1.08 0.00 0.00 175.30 177.23 1wd3 h GLY 55 N 2.87 0.00 1.00 3.88 0.00 -1.28 0.15 103.07 109.69 1wd3 h GLY 55 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wd3 h GLY 55 CO 0.74 0.00 0.07 1.48 0.00 0.00 0.00 176.54 178.82 1wd3 h SER 56 N 0.00 0.11 0.00 0.19 4.64 -1.94 -3.36 113.55 113.19 1wd3 h SER 56 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wd3 h SER 56 Cb 0.75 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1wd3 h SER 56 CO 0.00 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.14 1wd3 n ASP 57 N -5.02 0.60 -1.02 4.97 5.68 -1.25 -5.01 116.55 115.49 1wd3 n ASP 57 Ca -0.05 -1.24 -0.13 0.00 -0.50 0.00 0.00 54.79 52.86 1wd3 n ASP 57 Cb 0.03 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.95 1wd3 n ASP 57 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wd3 n ASP 58 N -0.12 -5.25 -4.90 -1.12 10.43 0.04 -4.98 116.55 110.65 1wd3 n ASP 58 Ca 0.00 0.33 -0.29 0.00 2.57 0.00 0.00 54.79 57.40 1wd3 n ASP 58 Cb 0.33 -3.93 0.02 0.00 1.84 0.00 0.00 41.12 39.39 1wd3 n ASP 58 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1wd3 s THR 59 N -2.28 4.10 0.38 -3.53 -4.23 -1.25 -4.75 115.64 104.08 1wd3 s THR 59 Ca 0.00 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 1wd3 s THR 59 Cb 0.00 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 1wd3 s THR 59 CO 0.00 -0.73 0.04 0.42 -0.54 0.00 0.00 174.62 173.81 1wd3 s THR 60 N -3.07 1.47 0.10 3.99 -4.23 -1.26 -2.01 115.64 110.63 1wd3 s THR 60 Ca 0.54 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.79 1wd3 s THR 60 Cb -0.11 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 71.03 1wd3 s THR 60 CO 0.49 0.00 0.84 0.28 -0.54 0.00 0.00 174.62 175.68 1wd3 s THR 61 N -3.01 0.00 0.20 3.99 -1.32 -0.81 -4.98 115.64 109.70 1wd3 s THR 61 Ca 0.32 -0.30 0.09 0.00 -1.21 0.00 0.00 61.69 60.59 1wd3 s THR 61 Cb 0.08 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 1wd3 s THR 61 CO 0.15 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 172.89 1wd3 s THR 62 N -3.37 3.16 -0.16 5.08 -4.23 -1.26 -0.23 115.64 114.64 1wd3 s THR 62 Ca 0.07 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1wd3 s THR 62 Cb -0.02 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1wd3 s THR 62 CO -0.05 -0.16 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.07 1wd3 s ILE 63 N -1.82 2.39 0.38 2.99 -1.09 -0.36 -4.97 121.20 118.74 1wd3 s ILE 63 Ca 0.26 -0.86 0.08 0.00 -2.23 0.00 0.00 60.65 57.90 1wd3 s ILE 63 Cb -0.08 -2.00 -0.06 0.00 -1.58 0.00 0.00 42.46 38.74 1wd3 s ILE 63 CO 0.16 0.53 0.08 -0.44 -1.23 0.00 0.00 174.94 174.03 1wd3 s SER 64 N 0.91 4.20 0.68 3.58 0.01 -1.26 -0.03 113.70 121.79 1wd3 s SER 64 Ca -0.04 -1.11 -0.16 0.00 1.31 0.00 0.00 55.95 55.95 1wd3 s SER 64 Cb -0.15 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.61 1wd3 s SER 64 CO -0.03 -0.40 1.17 -2.84 0.41 0.00 0.00 173.24 171.55 1wd3 s PRO 65 N -3.79 2.53 0.34 12.44 0.02 -1.26 -1.39 135.00 143.90 1wd3 s PRO 65 Ca 0.37 1.64 0.07 0.00 0.02 0.00 0.00 61.00 63.10 1wd3 s PRO 65 Cb 0.04 -1.89 0.61 0.00 0.02 0.00 0.00 34.50 33.27 1wd3 s PRO 65 CO 0.20 -1.51 1.82 -0.07 -0.33 0.00 0.00 177.00 177.12 1wd3 h LEU 66 N 0.05 0.31 -8.15 -5.54 3.38 -0.47 -3.44 115.31 101.46 1wd3 h LEU 66 Ca -0.48 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 1wd3 h LEU 66 Cb 1.28 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 1wd3 h LEU 66 CO 0.52 0.53 -0.32 0.28 0.09 0.00 0.00 178.44 179.55 1wd3 s THR 67 N -4.58 0.05 0.06 0.22 -1.32 -1.26 -5.04 115.64 103.77 1wd3 s THR 67 Ca -0.06 -1.44 -0.33 0.00 -1.21 0.00 0.00 61.69 58.65 1wd3 s THR 67 Cb 0.15 -1.95 -0.12 0.00 -1.51 0.00 0.00 72.50 69.06 1wd3 s THR 67 CO 0.76 -0.23 1.75 0.00 -2.21 0.00 0.00 174.62 174.68 1wd3 n ALA 68 N -0.24 1.35 -1.14 11.08 0.00 -1.26 -0.31 120.51 129.99 1wd3 n ALA 68 Ca -0.06 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 1wd3 n ALA 68 Cb 0.63 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 1wd3 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wd3 n GLY 69 N 3.95 0.68 0.00 0.00 0.00 0.43 -4.78 105.19 105.47 1wd3 n GLY 69 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1wd3 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wd3 n GLY 70 N -1.38 1.68 3.86 -0.02 0.00 0.58 -4.58 105.19 105.33 1wd3 n GLY 70 Ca -0.05 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 1wd3 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wd3 s ILE 71 N 1.47 4.81 0.60 -0.61 -1.09 -1.26 -1.59 121.20 123.53 1wd3 s ILE 71 Ca 0.00 0.68 -0.19 0.00 -2.23 0.00 0.00 60.65 58.92 1wd3 s ILE 71 Cb 0.00 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1wd3 s ILE 71 CO 0.00 -0.16 1.07 0.00 -1.23 0.00 0.00 174.94 174.62 1wd3 n ALA 72 N -0.34 0.52 -2.81 9.38 0.00 -0.35 0.24 120.51 127.15 1wd3 n ALA 72 Ca 0.02 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.05 1wd3 n ALA 72 Cb 0.53 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.80 1wd3 n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wd3 s ASP 73 N -1.23 6.97 0.41 0.00 2.15 -0.48 -4.62 116.67 119.87 1wd3 s ASP 73 Ca 0.77 -2.76 0.08 0.00 0.43 0.00 0.00 52.55 51.07 1wd3 s ASP 73 Cb -0.41 -2.47 0.88 0.00 -0.30 0.00 0.00 42.92 40.62 1wd3 s ASP 73 CO 0.46 -0.92 2.05 0.00 -0.17 0.00 0.00 175.17 176.59 1wd3 h ALA 74 N 7.38 1.74 -0.68 3.66 0.00 -1.90 -2.06 119.26 127.40 1wd3 h ALA 74 Ca 0.36 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1wd3 h ALA 74 Cb 0.88 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1wd3 h ALA 74 CO 1.32 0.22 0.45 0.66 0.00 0.00 0.00 179.25 181.90 1wd3 h SER 75 N 0.54 0.72 -0.33 0.00 4.64 -1.90 -0.61 113.55 116.62 1wd3 h SER 75 Ca 0.17 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1wd3 h SER 75 Cb 0.01 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1wd3 h SER 75 CO -0.04 0.50 0.01 0.00 -0.87 0.00 0.00 176.83 176.44 1wd3 h ALA 76 N 1.60 1.24 -0.07 5.18 0.00 -1.78 -1.47 119.26 123.96 1wd3 h ALA 76 Ca 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wd3 h ALA 76 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1wd3 h ALA 76 CO -0.07 0.51 -0.05 0.37 0.00 0.00 0.00 179.25 180.01 1wd3 h GLN 77 N 0.64 0.15 -1.00 0.00 4.15 -1.16 -2.35 115.11 115.54 1wd3 h GLN 77 Ca 0.13 -0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.59 1wd3 h GLN 77 Cb 0.38 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.98 1wd3 h GLN 77 CO 0.01 0.56 0.63 -0.44 -1.93 0.00 0.00 178.83 177.67 1wd3 h ASP 78 N -0.26 0.94 -0.08 -0.69 3.32 -0.98 0.15 116.42 118.83 1wd3 h ASP 78 Ca 0.01 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1wd3 h ASP 78 Cb 0.53 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1wd3 h ASP 78 CO 0.01 0.52 0.02 0.74 -1.72 0.00 0.00 179.24 178.81 1wd3 h THR 79 N 1.02 1.20 -0.43 0.35 2.02 -1.23 -2.15 112.91 113.70 1wd3 h THR 79 Ca 0.49 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1wd3 h THR 79 Cb 0.44 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1wd3 h THR 79 CO -0.25 0.17 0.02 0.15 0.37 0.00 0.00 175.52 175.98 1wd3 h PHE 80 N -0.10 0.71 -0.51 3.16 3.57 -0.81 -3.04 116.94 119.92 1wd3 h PHE 80 Ca 0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1wd3 h PHE 80 Cb 0.26 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1wd3 h PHE 80 CO 0.01 0.66 0.00 0.00 -2.23 0.00 0.00 178.31 176.75 1wd3 s ALA 82 N -1.37 3.64 -1.32 0.00 0.00 -0.82 -2.87 121.76 119.02 1wd3 s ALA 82 Ca 0.35 1.55 -0.07 0.00 0.00 0.00 0.00 51.96 53.79 1wd3 s ALA 82 Cb 0.19 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1wd3 s ALA 82 CO 0.23 -1.00 0.45 0.09 0.00 0.00 0.00 175.76 175.53 1wd3 n ASN 83 N 1.22 -4.33 -1.23 0.00 4.13 -1.26 -4.90 115.26 108.89 1wd3 n ASN 83 Ca 0.04 -0.28 -0.01 0.00 1.68 0.00 0.00 54.58 56.01 1wd3 n ASN 83 Cb 0.39 -3.56 0.00 0.00 -1.54 0.00 0.00 39.78 35.07 1wd3 n ASN 83 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1wd3 n THR 84 N -4.00 0.00 -4.29 3.41 5.66 -1.14 -4.89 114.28 109.03 1wd3 n THR 84 Ca -0.06 -0.08 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 1wd3 n THR 84 Cb 0.57 0.10 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 1wd3 n THR 84 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wd3 s THR 85 N -2.68 3.01 0.06 1.09 -4.23 -1.26 -4.98 115.64 106.64 1wd3 s THR 85 Ca 0.02 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.09 1wd3 s THR 85 Cb -0.00 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1wd3 s THR 85 CO 0.01 0.06 -0.15 0.00 -0.54 0.00 0.00 174.62 174.00 1wd3 s LEU 87 N -1.45 2.24 -0.47 0.00 1.43 -0.19 -2.04 118.68 118.20 1wd3 s LEU 87 Ca 0.01 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1wd3 s LEU 87 Cb -0.09 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1wd3 s LEU 87 CO 0.02 0.09 0.67 -0.63 0.23 0.00 0.00 176.35 176.73 1wd3 s ILE 88 N -1.00 4.79 0.02 -0.59 1.01 -0.32 -1.42 121.20 123.68 1wd3 s ILE 88 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1wd3 s ILE 88 Cb -0.09 -4.27 -0.29 0.00 0.01 0.00 0.00 42.46 37.81 1wd3 s ILE 88 CO 0.03 -0.72 0.91 0.71 0.00 0.00 0.00 174.94 175.87 1wd3 h THR 89 N 5.89 1.22 -3.54 2.92 1.35 -1.56 -3.37 112.91 115.81 1wd3 h THR 89 Ca -0.26 -2.81 -0.23 0.00 -0.55 0.00 0.00 66.41 62.56 1wd3 h THR 89 Cb 1.09 2.84 -0.29 0.00 -1.73 0.00 0.00 68.15 70.06 1wd3 h THR 89 CO 0.94 0.84 -0.66 -0.63 -0.25 0.00 0.00 175.52 175.75 1wd3 s ILE 90 N -2.62 -0.02 -0.35 6.82 1.01 -1.21 -3.96 121.20 120.86 1wd3 s ILE 90 Ca -0.09 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 1wd3 s ILE 90 Cb 0.06 -0.10 0.06 0.00 0.01 0.00 0.00 42.46 42.49 1wd3 s ILE 90 CO 0.87 0.03 0.12 -0.63 0.00 0.00 0.00 174.94 175.33 1wd3 s ILE 91 N 0.37 3.54 0.49 2.92 1.01 -0.52 -0.76 121.20 128.25 1wd3 s ILE 91 Ca -0.03 -1.42 -0.21 0.00 0.00 0.00 0.00 60.65 58.99 1wd3 s ILE 91 Cb -0.04 -3.12 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 1wd3 s ILE 91 CO -0.01 -0.31 1.12 -0.31 0.00 0.00 0.00 174.94 175.43 1wd3 s TYR 92 N 1.31 2.87 -0.29 3.97 2.02 -0.63 -0.65 117.35 125.95 1wd3 s TYR 92 Ca -0.00 1.56 -0.23 0.00 -0.37 0.00 0.00 57.07 58.03 1wd3 s TYR 92 Cb -0.21 -3.26 -0.00 0.00 -0.40 0.00 0.00 41.96 38.08 1wd3 s TYR 92 CO 0.00 -1.32 0.77 0.34 -1.57 0.00 0.00 175.55 173.78 1wd3 s ASP 93 N -1.64 6.67 0.27 2.29 2.15 -1.26 -4.44 116.67 120.71 1wd3 s ASP 93 Ca 0.67 0.72 0.26 0.00 0.43 0.00 0.00 52.55 54.62 1wd3 s ASP 93 Cb -0.24 -2.40 0.77 0.00 -0.30 0.00 0.00 42.92 40.75 1wd3 s ASP 93 CO 0.28 -0.56 1.75 1.56 -0.17 0.00 0.00 175.17 178.03 1wd3 h GLN 94 N 8.02 0.00 0.00 4.34 4.20 -1.19 -3.33 115.11 127.15 1wd3 h GLN 94 Ca -0.24 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1wd3 h GLN 94 Cb 1.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1wd3 h GLN 94 CO 0.86 0.00 -0.17 0.66 -0.67 0.00 0.00 178.83 179.52 1wd3 h SER 95 N 0.00 0.00 0.00 1.46 4.64 -1.91 -3.47 113.55 114.27 1wd3 h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wd3 h SER 95 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1wd3 h SER 95 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1wd3 n GLY 96 N -0.18 0.46 0.04 -0.77 0.00 -1.25 -4.93 105.19 98.55 1wd3 n GLY 96 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1wd3 n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wd3 n ASN 97 N 0.00 0.22 -0.51 1.61 5.03 -1.26 -4.93 115.26 115.42 1wd3 n ASN 97 Ca 0.00 -0.10 -0.07 0.00 0.87 0.00 0.00 54.58 55.28 1wd3 n ASN 97 Cb 0.00 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 38.52 1wd3 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wd3 n GLY 98 N 1.38 0.89 2.13 7.41 0.00 -1.26 -4.55 105.19 111.19 1wd3 n GLY 98 Ca 0.11 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1wd3 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wd3 n ASN 99 N 0.87 5.59 -4.76 1.61 3.02 -1.26 -4.93 115.26 115.41 1wd3 n ASN 99 Ca -0.07 -2.68 -0.38 0.00 -0.03 0.00 0.00 54.58 51.43 1wd3 n ASN 99 Cb 0.22 -1.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.05 1wd3 n ASN 99 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1wd3 s HIS 100 N 0.23 2.50 -0.24 3.10 3.76 -1.26 -4.43 115.29 118.95 1wd3 s HIS 100 Ca 0.64 1.45 -0.13 0.00 -0.15 0.00 0.00 55.06 56.88 1wd3 s HIS 100 Cb 0.33 -3.61 -0.05 0.00 1.11 0.00 0.00 32.58 30.37 1wd3 s HIS 100 CO -0.06 -2.31 0.26 -0.51 -0.85 0.00 0.00 174.74 171.26 1wd3 s LEU 101 N -3.45 4.10 0.44 0.89 1.43 0.18 -4.55 118.68 117.72 1wd3 s LEU 101 Ca 0.70 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 1wd3 s LEU 101 Cb -0.35 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1wd3 s LEU 101 CO 0.41 -0.03 0.04 0.42 0.23 0.00 0.00 176.35 177.42 1wd3 s THR 102 N 1.39 1.26 -0.29 5.49 -4.23 -0.89 -1.44 115.64 116.94 1wd3 s THR 102 Ca 0.11 -2.00 -0.41 0.00 -1.18 0.00 0.00 61.69 58.21 1wd3 s THR 102 Cb -0.15 -2.48 -0.17 0.00 1.34 0.00 0.00 72.50 71.04 1wd3 s THR 102 CO 0.07 0.00 1.68 1.67 -0.54 0.00 0.00 174.62 177.50 1wd3 n GLN 103 N -1.05 0.92 -2.12 3.99 7.27 -1.25 -0.64 117.38 124.50 1wd3 n GLN 103 Ca -0.11 0.34 -0.41 0.00 0.07 0.00 0.00 57.00 56.89 1wd3 n GLN 103 Cb 0.67 -1.98 -0.03 0.00 2.41 0.00 0.00 30.24 31.31 1wd3 n GLN 103 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wd3 s ALA 104 N 3.15 3.56 0.60 1.69 0.00 -0.46 -4.65 121.76 125.65 1wd3 s ALA 104 Ca 0.98 1.21 -0.06 0.00 0.00 0.00 0.00 51.96 54.10 1wd3 s ALA 104 Cb -1.14 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 18.48 1wd3 s ALA 104 CO 0.67 -0.63 0.90 -1.25 0.00 0.00 0.00 175.76 175.46 1wd3 s PRO 105 N -0.45 2.86 0.85 0.00 0.04 -1.26 -1.04 135.00 135.99 1wd3 s PRO 105 Ca 0.57 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.45 1wd3 s PRO 105 Cb -0.39 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 31.98 1wd3 s PRO 105 CO 0.42 -0.73 1.09 -1.25 0.04 0.00 0.00 177.00 176.57 1wd3 s PRO 106 N -5.00 1.66 0.00 0.56 0.04 -1.17 -4.74 135.00 126.35 1wd3 s PRO 106 Ca 0.54 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1wd3 s PRO 106 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wd3 s PRO 106 CO 0.45 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1wd3 n GLY 107 N -0.99 2.90 0.35 0.56 0.00 -1.26 -4.93 105.19 101.82 1wd3 n GLY 107 Ca 0.08 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1wd3 n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wd3 h GLY 108 N 0.00 0.65 -4.41 -0.02 0.00 0.01 -3.40 103.07 95.90 1wd3 h GLY 108 Ca 0.00 -0.19 -0.58 0.00 0.00 0.00 0.00 47.33 46.56 1wd3 h GLY 108 CO 0.00 0.12 -0.84 -1.36 0.00 0.00 0.00 176.54 174.46 1wd3 s PHE 109 N -5.44 1.82 0.27 5.60 0.08 -0.44 -5.04 117.98 114.82 1wd3 s PHE 109 Ca -0.08 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 1wd3 s PHE 109 Cb 0.20 -1.06 -0.08 0.00 -0.57 0.00 0.00 43.02 41.50 1wd3 s PHE 109 CO 0.75 0.12 0.67 -0.51 -0.10 0.00 0.00 175.22 176.16 1wd3 s ASP 110 N -1.38 6.78 0.71 1.36 1.01 -1.26 -4.67 116.67 119.22 1wd3 s ASP 110 Ca 0.07 1.19 -0.04 0.00 0.71 0.00 0.00 52.55 54.48 1wd3 s ASP 110 Cb -0.09 -2.33 0.09 0.00 1.01 0.00 0.00 42.92 41.60 1wd3 s ASP 110 CO 0.02 -0.10 0.99 -0.83 0.21 0.00 0.00 175.17 175.46 1wd3 s GLY 111 N -2.15 1.75 0.00 0.21 0.00 0.20 -4.87 107.32 102.47 1wd3 s GLY 111 Ca 0.49 -1.29 0.29 0.00 0.00 0.00 0.00 44.72 44.21 1wd3 s GLY 111 CO 0.19 -0.82 1.89 -1.55 0.00 0.00 0.00 173.10 172.81 1wd3 n PRO 112 N -2.87 0.81 -1.66 2.90 -0.04 -1.19 -4.32 135.00 128.62 1wd3 n PRO 112 Ca 0.11 -0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 1wd3 n PRO 112 Cb 0.60 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1wd3 n PRO 112 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wd3 n ASP 113 N -0.86 0.56 -4.65 3.54 -0.08 0.27 -4.87 116.55 110.46 1wd3 n ASP 113 Ca 0.16 -1.58 -0.47 0.00 -1.51 0.00 0.00 54.79 51.38 1wd3 n ASP 113 Cb 0.26 -0.54 -0.04 0.00 2.34 0.00 0.00 41.12 43.14 1wd3 n ASP 113 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1wd3 n THR 114 N -2.73 0.17 -2.41 5.18 -1.04 -1.26 -1.90 114.28 110.29 1wd3 n THR 114 Ca 0.11 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.91 1wd3 n THR 114 Cb 0.39 -1.36 -0.01 0.00 -1.82 0.00 0.00 70.33 67.54 1wd3 n THR 114 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1wd3 n ASP 115 N 2.99 -4.92 0.00 8.00 8.00 -1.26 -2.09 116.55 127.27 1wd3 n ASP 115 Ca 0.16 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1wd3 n ASP 115 Cb 0.27 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 1wd3 n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wd3 n GLY 116 N -0.91 0.81 3.76 0.44 0.00 -0.80 -4.70 105.19 103.79 1wd3 n GLY 116 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1wd3 n GLY 116 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wd3 s TYR 117 N -3.08 2.55 0.52 1.61 1.51 -0.89 0.63 117.35 120.20 1wd3 s TYR 117 Ca 0.00 1.37 -0.04 0.00 -1.01 0.00 0.00 57.07 57.39 1wd3 s TYR 117 Cb 0.00 -3.09 -0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1wd3 s TYR 117 CO 0.00 -1.99 0.81 -0.51 -1.11 0.00 0.00 175.55 172.75 1wd3 s ASP 118 N -3.50 5.81 0.55 2.29 1.01 -0.20 -0.57 116.67 122.06 1wd3 s ASP 118 Ca 0.62 0.63 -0.17 0.00 0.71 0.00 0.00 52.55 54.34 1wd3 s ASP 118 Cb -0.17 -1.77 -0.05 0.00 1.01 0.00 0.00 42.92 41.93 1wd3 s ASP 118 CO 0.56 -0.85 1.05 0.20 0.21 0.00 0.00 175.17 176.34 1wd3 s ASN 119 N -4.23 6.03 0.43 0.27 0.01 0.67 -4.63 114.94 113.48 1wd3 s ASN 119 Ca 0.51 1.83 -0.09 0.00 -0.71 0.00 0.00 52.86 54.39 1wd3 s ASN 119 Cb -0.10 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 38.96 1wd3 s ASN 119 CO 0.43 -1.00 0.79 -0.76 -1.51 0.00 0.00 177.10 175.05 1wd3 s LEU 120 N -4.16 3.75 0.34 0.60 1.43 -1.26 -2.03 118.68 117.35 1wd3 s LEU 120 Ca 0.64 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 1wd3 s LEU 120 Cb -0.16 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 1wd3 s LEU 120 CO 0.31 -0.47 0.71 0.00 0.23 0.00 0.00 176.35 177.14 1wd3 s ALA 121 N -2.50 3.39 0.78 4.21 0.00 -1.26 -4.90 121.76 121.48 1wd3 s ALA 121 Ca 0.51 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 1wd3 s ALA 121 Cb -0.10 -2.66 0.07 0.00 0.00 0.00 0.00 23.12 20.42 1wd3 s ALA 121 CO 0.36 0.22 1.15 0.45 0.00 0.00 0.00 175.76 177.93 1wd3 s SER 122 N -2.70 4.01 0.00 0.00 0.15 -1.26 -1.18 113.70 112.73 1wd3 s SER 122 Ca 0.51 2.15 0.24 0.00 0.70 0.00 0.00 55.95 59.56 1wd3 s SER 122 Cb -0.10 -2.56 0.35 0.00 -1.71 0.00 0.00 66.02 61.99 1wd3 s SER 122 CO 0.24 -2.37 1.30 0.00 1.20 0.00 0.00 173.24 173.61 1wd3 n ALA 123 N -3.27 3.76 -0.68 5.45 0.00 -0.87 -4.33 120.51 120.56 1wd3 n ALA 123 Ca 0.12 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.18 1wd3 n ALA 123 Cb 0.52 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 19.02 1wd3 n ALA 123 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1wd3 n ILE 124 N -1.30 1.41 0.70 0.00 -5.35 -1.26 -4.74 119.36 108.82 1wd3 n ILE 124 Ca 0.06 -1.61 0.13 0.00 -0.27 0.00 0.00 62.75 61.07 1wd3 n ILE 124 Cb 0.34 0.12 0.44 0.00 -1.74 0.00 0.00 39.64 38.80 1wd3 n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wd3 n GLY 125 N -0.97 -1.66 2.34 3.28 0.00 -1.26 -4.33 105.19 102.60 1wd3 n GLY 125 Ca 0.09 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1wd3 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 n ALA 126 N -1.73 2.82 -1.77 4.61 0.00 -1.26 -4.80 120.51 118.38 1wd3 n ALA 126 Ca 0.06 -3.78 -0.39 0.00 0.00 0.00 0.00 53.44 49.33 1wd3 n ALA 126 Cb 0.41 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1wd3 n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wd3 s PRO 127 N -2.24 4.21 0.34 0.00 0.04 -1.26 -0.51 135.00 135.58 1wd3 s PRO 127 Ca 0.40 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1wd3 s PRO 127 Cb 0.26 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 32.00 1wd3 s PRO 127 CO -0.09 -0.19 0.61 0.14 0.04 0.00 0.00 177.00 177.50 1wd3 s VAL 128 N -1.34 0.00 -0.01 -0.36 -7.23 -0.31 -1.47 120.40 109.67 1wd3 s VAL 128 Ca 0.54 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 1wd3 s VAL 128 Cb -0.32 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 1wd3 s VAL 128 CO 0.41 0.00 -0.06 0.42 -0.31 0.00 0.00 175.10 175.55 1wd3 s THR 129 N -2.97 0.52 -0.30 5.32 -4.23 -0.36 -0.50 115.64 113.11 1wd3 s THR 129 Ca 0.23 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 1wd3 s THR 129 Cb -0.03 -0.46 0.04 0.00 1.34 0.00 0.00 72.50 73.40 1wd3 s THR 129 CO 0.15 0.16 0.02 -0.76 -0.54 0.00 0.00 174.62 173.65 1wd3 s LEU 130 N 0.03 3.93 -1.51 4.79 1.02 0.13 -1.47 118.68 125.59 1wd3 s LEU 130 Ca 0.00 -1.18 -0.13 0.00 0.02 0.00 0.00 54.13 52.84 1wd3 s LEU 130 Cb -0.05 -1.75 0.07 0.00 0.02 0.00 0.00 46.19 44.49 1wd3 s LEU 130 CO -0.00 -0.26 1.02 -3.20 0.02 0.00 0.00 176.35 173.93 1wd3 n ASN 131 N 4.68 -5.09 0.00 2.29 5.15 -0.59 -1.52 115.26 120.18 1wd3 n ASN 131 Ca -0.13 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 1wd3 n ASN 131 Cb 0.44 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.61 1wd3 n ASN 131 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wd3 n GLY 132 N -1.75 1.92 3.71 8.20 0.00 -1.26 -5.04 105.19 110.98 1wd3 n GLY 132 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1wd3 n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wd3 s GLN 133 N -0.58 4.25 0.37 1.61 -0.21 -0.58 -4.99 119.66 119.53 1wd3 s GLN 133 Ca 0.00 0.14 -0.28 0.00 0.02 0.00 0.00 55.36 55.24 1wd3 s GLN 133 Cb 0.00 -3.45 -0.10 0.00 1.00 0.00 0.00 33.01 30.45 1wd3 s GLN 133 CO 0.00 0.17 1.39 0.21 -2.12 0.00 0.00 175.29 174.94 1wd3 s LYS 134 N 0.67 4.17 0.23 2.91 2.20 -1.26 0.18 119.74 128.84 1wd3 s LYS 134 Ca 0.18 2.38 -0.17 0.00 -0.36 0.00 0.00 55.97 57.99 1wd3 s LYS 134 Cb -0.13 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1wd3 s LYS 134 CO 0.05 -0.40 0.55 0.00 -0.36 0.00 0.00 175.35 175.19 1wd3 s ALA 135 N -1.15 -0.78 -0.07 3.13 0.00 0.34 -4.27 121.76 118.97 1wd3 s ALA 135 Ca 0.52 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1wd3 s ALA 135 Cb -0.43 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1wd3 s ALA 135 CO 0.57 -0.87 -0.16 0.71 0.00 0.00 0.00 175.76 176.01 1wd3 s TYR 136 N -3.93 1.75 0.52 0.00 2.02 -1.26 -1.16 117.35 115.29 1wd3 s TYR 136 Ca 0.14 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 1wd3 s TYR 136 Cb -0.02 -1.23 0.10 0.00 -0.40 0.00 0.00 41.96 40.40 1wd3 s TYR 136 CO 0.03 -0.30 0.72 0.41 -1.57 0.00 0.00 175.55 174.84 1wd3 n GLY 137 N 3.66 1.41 3.24 0.71 0.00 0.33 -3.92 105.19 110.62 1wd3 n GLY 137 Ca -0.21 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 1wd3 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wd3 s VAL 138 N -2.15 4.49 -0.42 1.61 1.01 0.62 -4.25 120.40 121.31 1wd3 s VAL 138 Ca 0.51 -1.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 1wd3 s VAL 138 Cb -0.04 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1wd3 s VAL 138 CO 0.33 -0.80 0.86 0.12 0.00 0.00 0.00 175.10 175.61 1wd3 s PHE 139 N 1.43 3.01 -0.27 5.22 5.36 -1.26 -1.17 117.98 130.30 1wd3 s PHE 139 Ca 0.05 0.45 -0.07 0.00 -0.96 0.00 0.00 56.93 56.40 1wd3 s PHE 139 Cb -0.27 -3.71 -0.01 0.00 -0.34 0.00 0.00 43.02 38.68 1wd3 s PHE 139 CO 0.00 -0.94 0.08 -1.64 -1.46 0.00 0.00 175.22 171.26 1wd3 s MET 140 N 3.45 3.42 0.47 10.12 -1.94 0.48 -4.26 119.30 131.03 1wd3 s MET 140 Ca 0.34 -0.64 -0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1wd3 s MET 140 Cb -0.12 -3.35 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1wd3 s MET 140 CO 0.22 -0.30 0.72 -1.54 -0.01 0.00 0.00 175.02 174.11 1wd3 s SER 141 N 1.57 5.95 0.07 3.03 1.04 -1.26 -1.65 113.70 122.45 1wd3 s SER 141 Ca 0.05 0.54 -0.34 0.00 0.48 0.00 0.00 55.95 56.68 1wd3 s SER 141 Cb -0.16 -1.81 -0.13 0.00 0.10 0.00 0.00 66.02 64.02 1wd3 s SER 141 CO 0.03 -0.68 1.67 -2.65 0.98 0.00 0.00 173.24 172.59 1wd3 n PRO 142 N -2.17 2.11 0.00 4.02 -0.02 -1.22 -1.27 135.00 136.45 1wd3 n PRO 142 Ca 0.01 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1wd3 n PRO 142 Cb 0.57 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1wd3 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wd3 n GLY 143 N 3.70 1.60 3.82 -1.23 0.00 -0.01 -4.98 105.19 108.09 1wd3 n GLY 143 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1wd3 n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wd3 s THR 144 N -2.22 4.70 -0.21 2.61 2.01 -0.39 -0.24 115.64 121.90 1wd3 s THR 144 Ca 0.00 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 1wd3 s THR 144 Cb 0.00 -3.84 0.14 0.00 0.01 0.00 0.00 72.50 68.82 1wd3 s THR 144 CO 0.00 0.31 1.10 -0.83 -0.69 0.00 0.00 174.62 174.51 1wd3 s GLY 145 N -1.53 -0.14 0.15 4.40 0.00 -0.86 -4.58 107.32 104.75 1wd3 s GLY 145 Ca 0.38 2.37 0.07 0.00 0.00 0.00 0.00 44.72 47.54 1wd3 s GLY 145 CO 0.20 1.21 -0.16 -0.19 0.00 0.00 0.00 173.10 174.17 1wd3 s TYR 146 N -0.83 1.64 0.10 1.90 2.02 -0.72 -1.35 117.35 120.11 1wd3 s TYR 146 Ca 0.02 -0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 55.94 1wd3 s TYR 146 Cb -0.01 -0.82 0.08 0.00 -0.40 0.00 0.00 41.96 40.80 1wd3 s TYR 146 CO -0.02 0.26 0.83 0.50 -1.57 0.00 0.00 175.55 175.55 1wd3 s ARG 147 N -2.88 1.13 -0.24 -0.62 3.52 0.19 -1.66 118.95 118.38 1wd3 s ARG 147 Ca 0.14 -0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1wd3 s ARG 147 Cb -0.05 0.46 0.12 0.00 -1.56 0.00 0.00 34.95 33.92 1wd3 s ARG 147 CO 0.05 -0.50 0.31 1.21 -0.81 0.00 0.00 175.30 175.56 1wd3 s ASN 148 N -2.71 0.90 -0.07 -2.12 3.84 -0.47 -2.09 114.94 112.21 1wd3 s ASN 148 Ca 0.07 -0.15 0.14 0.00 0.21 0.00 0.00 52.86 53.14 1wd3 s ASN 148 Cb -0.02 0.76 0.54 0.00 -0.55 0.00 0.00 41.25 41.98 1wd3 s ASN 148 CO -0.05 -0.33 1.42 0.59 -2.79 0.00 0.00 177.10 175.94 1wd3 n ASN 149 N 5.34 3.62 -2.74 -4.21 3.02 -1.26 -1.46 115.26 117.56 1wd3 n ASN 149 Ca -0.04 -2.29 -0.10 0.00 -0.03 0.00 0.00 54.58 52.12 1wd3 n ASN 149 Cb 0.49 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1wd3 n ASN 149 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wd3 n GLU 150 N 0.84 1.12 -2.66 3.52 0.28 -1.26 -4.80 120.64 117.68 1wd3 n GLU 150 Ca 0.19 -3.15 -0.35 0.00 -0.16 0.00 0.00 57.16 53.70 1wd3 n GLU 150 Cb 0.67 -1.22 -0.05 0.00 1.43 0.00 0.00 31.44 32.27 1wd3 n GLU 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wd3 s ALA 151 N -2.73 3.01 -0.07 -1.84 0.00 -1.26 -4.96 121.76 113.90 1wd3 s ALA 151 Ca 0.28 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1wd3 s ALA 151 Cb 0.44 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 1wd3 s ALA 151 CO 0.01 -0.10 -0.13 0.99 0.00 0.00 0.00 175.76 176.54 1wd3 s THR 152 N -1.94 3.18 0.00 0.00 2.01 -1.26 -4.63 115.64 113.00 1wd3 s THR 152 Ca 0.62 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1wd3 s THR 152 Cb -0.15 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1wd3 s THR 152 CO 0.20 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 1wd3 n GLY 153 N 2.54 2.77 3.77 4.40 0.00 -1.26 -4.88 105.19 112.53 1wd3 n GLY 153 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1wd3 n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wd3 s THR 154 N -2.12 3.00 0.38 2.61 -4.23 -1.26 -4.80 115.64 109.22 1wd3 s THR 154 Ca 0.00 0.72 -0.27 0.00 -1.18 0.00 0.00 61.69 60.96 1wd3 s THR 154 Cb 0.00 -3.35 -0.10 0.00 1.34 0.00 0.00 72.50 70.39 1wd3 s THR 154 CO 0.00 -0.04 1.37 0.00 -0.54 0.00 0.00 174.62 175.41 1wd3 s ALA 155 N -1.57 3.42 0.22 3.99 0.00 -1.26 -4.82 121.76 121.74 1wd3 s ALA 155 Ca 0.67 1.36 0.04 0.00 0.00 0.00 0.00 51.96 54.03 1wd3 s ALA 155 Cb -0.29 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1wd3 s ALA 155 CO 0.34 -0.87 -0.01 0.95 0.00 0.00 0.00 175.76 176.16 1wd3 s THR 156 N -1.18 1.03 0.00 0.00 -4.23 -1.26 -3.52 115.64 106.48 1wd3 s THR 156 Ca 0.54 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1wd3 s THR 156 Cb -0.42 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1wd3 s THR 156 CO 0.55 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1wd3 n GLY 157 N -0.38 3.49 1.34 3.99 0.00 0.11 -1.65 105.19 112.09 1wd3 n GLY 157 Ca -0.06 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1wd3 n GLY 157 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wd3 n ASP 158 N 5.53 4.36 -4.76 1.61 2.03 -1.20 -1.36 116.55 122.76 1wd3 n ASP 158 Ca 0.00 -2.46 -0.39 0.00 0.52 0.00 0.00 54.79 52.47 1wd3 n ASP 158 Cb 0.00 -0.52 0.03 0.00 -0.72 0.00 0.00 41.12 39.91 1wd3 n ASP 158 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wd3 s GLU 159 N -1.85 3.42 0.41 -0.67 2.02 -0.66 -4.19 118.70 117.19 1wd3 s GLU 159 Ca 0.46 2.27 -0.22 0.00 0.02 0.00 0.00 54.97 57.49 1wd3 s GLU 159 Cb 0.30 -2.44 -0.11 0.00 0.10 0.00 0.00 34.13 31.98 1wd3 s GLU 159 CO 0.21 -0.98 0.95 0.00 0.02 0.00 0.00 175.26 175.47 1wd3 s ALA 160 N -1.28 3.07 0.10 5.21 0.00 -1.26 -4.67 121.76 122.92 1wd3 s ALA 160 Ca 0.66 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 1wd3 s ALA 160 Cb -0.41 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 19.61 1wd3 s ALA 160 CO 0.50 0.14 0.54 -1.83 0.00 0.00 0.00 175.76 175.10 1wd3 s GLU 161 N -3.00 1.14 0.22 0.00 -1.05 -0.39 -1.31 118.70 114.30 1wd3 s GLU 161 Ca 0.60 -0.39 0.06 0.00 -0.15 0.00 0.00 54.97 55.09 1wd3 s GLU 161 Cb -0.11 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 1wd3 s GLU 161 CO 0.15 -0.45 -0.08 0.20 0.95 0.00 0.00 175.26 176.03 1wd3 s GLY 162 N -2.39 1.51 0.04 -3.83 0.00 -1.14 -0.98 107.32 100.53 1wd3 s GLY 162 Ca -0.02 -1.73 -0.27 0.00 0.00 0.00 0.00 44.72 42.71 1wd3 s GLY 162 CO -0.07 -1.73 0.80 -3.16 0.00 0.00 0.00 173.10 168.94 1wd3 s MET 163 N -3.74 0.95 0.16 2.90 0.23 0.30 -0.42 119.30 119.68 1wd3 s MET 163 Ca 0.25 -0.32 -0.18 0.00 -1.03 0.00 0.00 55.69 54.41 1wd3 s MET 163 Cb 0.03 0.44 0.04 0.00 -1.53 0.00 0.00 34.83 33.81 1wd3 s MET 163 CO 0.08 -0.41 0.49 1.52 -2.03 0.00 0.00 175.02 174.66 1wd3 s TYR 164 N -3.19 -0.24 -0.08 3.16 -0.85 -1.00 -1.14 117.35 114.01 1wd3 s TYR 164 Ca 0.03 -0.07 -0.19 0.00 -0.52 0.00 0.00 57.07 56.32 1wd3 s TYR 164 Cb -0.01 0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.74 1wd3 s TYR 164 CO -0.09 -0.81 0.46 0.00 -1.52 0.00 0.00 175.55 173.58 1wd3 s ALA 165 N -3.82 -1.16 -0.30 9.51 0.00 -0.42 -1.80 121.76 123.78 1wd3 s ALA 165 Ca 0.05 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 1wd3 s ALA 165 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1wd3 s ALA 165 CO -0.09 -0.27 0.14 0.08 0.00 0.00 0.00 175.76 175.62 1wd3 s VAL 166 N -0.71 4.65 0.47 0.00 1.01 0.40 -1.16 120.40 125.05 1wd3 s VAL 166 Ca -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1wd3 s VAL 166 Cb -0.03 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1wd3 s VAL 166 CO 0.04 0.14 0.05 -0.76 0.00 0.00 0.00 175.10 174.57 1wd3 s LEU 167 N 1.63 2.19 -0.43 3.92 1.43 0.48 -1.44 118.68 126.46 1wd3 s LEU 167 Ca 0.05 -1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 51.37 1wd3 s LEU 167 Cb -0.17 -0.49 0.06 0.00 0.03 0.00 0.00 46.19 45.63 1wd3 s LEU 167 CO 0.06 -0.87 0.31 -0.62 0.23 0.00 0.00 176.35 175.46 1wd3 s ASP 168 N -3.76 5.89 0.00 2.29 -1.08 -1.10 -0.15 116.67 118.76 1wd3 s ASP 168 Ca 0.14 -1.32 0.12 0.00 -0.52 0.00 0.00 52.55 50.97 1wd3 s ASP 168 Cb 0.02 -2.08 0.70 0.00 -1.46 0.00 0.00 42.92 40.10 1wd3 s ASP 168 CO 0.08 -0.55 1.22 0.61 0.52 0.00 0.00 175.17 177.04 1wd3 n GLY 169 N 5.06 -0.49 0.26 2.66 0.00 -0.20 -2.00 105.19 110.49 1wd3 n GLY 169 Ca -0.11 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1wd3 n GLY 169 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wd3 n THR 170 N -1.10 0.00 -3.77 2.61 -2.24 -1.26 -4.49 114.28 104.03 1wd3 n THR 170 Ca 0.08 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 1wd3 n THR 170 Cb 0.06 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 1wd3 n THR 170 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1wd3 s HIS 171 N -1.65 3.51 0.11 4.78 5.04 -0.85 -5.04 115.29 121.20 1wd3 s HIS 171 Ca 0.10 -2.23 -0.26 0.00 -1.54 0.00 0.00 55.06 51.14 1wd3 s HIS 171 Cb 0.10 -3.04 0.08 0.00 0.04 0.00 0.00 32.58 29.76 1wd3 s HIS 171 CO 0.34 -0.94 1.09 1.52 -2.34 0.00 0.00 174.74 174.41 1wd3 s TYR 172 N 1.19 -0.03 0.00 3.88 -0.85 -1.26 -4.02 117.35 116.26 1wd3 s TYR 172 Ca 0.06 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 1wd3 s TYR 172 Cb -0.22 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.74 1wd3 s TYR 172 CO -0.03 -0.68 0.00 0.27 -1.52 0.00 0.00 175.55 173.59 1wd3 n ASN 173 N -0.75 0.00 -0.89 -0.18 0.23 -1.26 -4.88 115.26 107.54 1wd3 n ASN 173 Ca -0.05 -0.87 0.07 0.00 -0.53 0.00 0.00 54.58 53.20 1wd3 n ASN 173 Cb 0.61 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.54 1wd3 n ASN 173 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1wd3 n ASP 174 N -1.69 3.66 -4.90 0.53 5.68 -1.26 -1.67 116.55 116.90 1wd3 n ASP 174 Ca 0.00 -2.56 -0.32 0.00 -0.50 0.00 0.00 54.79 51.41 1wd3 n ASP 174 Cb 0.00 -0.43 -0.05 0.00 -1.14 0.00 0.00 41.12 39.50 1wd3 n ASP 174 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wd3 s ALA 175 N -2.02 3.82 0.03 2.12 0.00 -1.26 -4.25 121.76 120.21 1wd3 s ALA 175 Ca 0.36 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1wd3 s ALA 175 Cb 0.26 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1wd3 s ALA 175 CO 0.13 0.68 1.09 0.00 0.00 0.00 0.00 175.76 177.67 1wd3 s PHE 178 N 1.36 3.16 0.27 0.00 5.36 -1.26 -2.64 117.98 124.24 1wd3 s PHE 178 Ca -0.08 -1.37 0.09 0.00 -0.96 0.00 0.00 56.93 54.61 1wd3 s PHE 178 Cb -0.06 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.38 1wd3 s PHE 178 CO -0.15 -1.42 0.02 -0.51 -1.46 0.00 0.00 175.22 171.71 1wd3 s ASP 179 N 3.43 4.64 -0.19 6.13 1.11 -1.24 -2.22 116.67 128.33 1wd3 s ASP 179 Ca 0.28 -0.62 -0.04 0.00 0.18 0.00 0.00 52.55 52.35 1wd3 s ASP 179 Cb -0.08 -0.89 0.10 0.00 1.07 0.00 0.00 42.92 43.12 1wd3 s ASP 179 CO -0.07 -0.02 0.29 -0.47 1.18 0.00 0.00 175.17 176.08 1wd3 s TYR 180 N -2.31 -0.51 -5.00 4.23 5.04 -0.46 0.37 117.35 118.71 1wd3 s TYR 180 Ca 0.32 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 1wd3 s TYR 180 Cb -0.06 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1wd3 s TYR 180 CO 0.20 -0.55 0.00 0.41 -1.34 0.00 0.00 175.55 174.27 1wd3 n GLY 181 N 5.35 -0.03 3.72 8.97 0.00 -0.92 -0.82 105.19 121.45 1wd3 n GLY 181 Ca -0.05 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1wd3 n GLY 181 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wd3 s ASN 182 N -4.00 7.14 0.11 1.61 3.84 -0.38 -1.37 114.94 121.89 1wd3 s ASN 182 Ca 0.00 1.99 -0.00 0.00 0.21 0.00 0.00 52.86 55.05 1wd3 s ASN 182 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1wd3 s ASN 182 CO 0.00 -0.41 0.15 0.00 -2.79 0.00 0.00 177.10 174.05 1wd3 n ALA 183 N 3.69 -0.10 -1.76 1.71 0.00 -0.05 -1.05 120.51 122.96 1wd3 n ALA 183 Ca 0.08 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.61 1wd3 n ALA 183 Cb 0.47 0.42 -0.04 0.00 0.00 0.00 0.00 19.45 20.29 1wd3 n ALA 183 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wd3 s GLU 184 N -2.26 4.48 0.00 0.00 8.01 -1.24 -1.68 118.70 126.02 1wd3 s GLU 184 Ca 0.09 1.73 0.31 0.00 0.01 0.00 0.00 54.97 57.11 1wd3 s GLU 184 Cb -0.00 -2.99 1.63 0.00 -4.31 0.00 0.00 34.13 28.46 1wd3 s GLU 184 CO 0.07 0.09 2.10 0.25 0.01 0.00 0.00 175.26 177.78 1wd3 n THR 185 N 0.80 0.00 0.67 3.63 -2.24 -1.26 -3.06 114.28 112.82 1wd3 n THR 185 Ca 0.01 -0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1wd3 n THR 185 Cb 0.46 -0.47 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 1wd3 n THR 185 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wd3 n SER 186 N -1.16 2.18 -1.80 3.42 3.41 -1.26 -4.89 113.62 113.51 1wd3 n SER 186 Ca 0.18 -1.59 -0.18 0.00 -0.26 0.00 0.00 58.87 57.01 1wd3 n SER 186 Cb 0.20 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 1wd3 n SER 186 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wd3 n SER 187 N 0.68 -5.29 -4.28 4.04 7.64 -1.17 -4.80 113.62 110.43 1wd3 n SER 187 Ca 0.09 0.19 -0.16 0.00 1.01 0.00 0.00 58.87 60.00 1wd3 n SER 187 Cb 0.38 -4.38 -0.10 0.00 -1.01 0.00 0.00 64.21 59.11 1wd3 n SER 187 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wd3 s THR 188 N -2.82 1.29 -0.69 0.44 -4.23 -1.23 -1.12 115.64 107.29 1wd3 s THR 188 Ca 0.00 -2.09 -0.27 0.00 -1.18 0.00 0.00 61.69 58.14 1wd3 s THR 188 Cb 0.00 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1wd3 s THR 188 CO 0.00 -0.65 1.34 -0.62 -0.54 0.00 0.00 174.62 174.15 1wd3 s ASP 189 N -3.22 6.10 -0.13 3.99 -1.08 -1.26 -4.50 116.67 116.56 1wd3 s ASP 189 Ca 0.20 -0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.15 1wd3 s ASP 189 Cb 0.02 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.59 1wd3 s ASP 189 CO 0.03 -1.84 1.54 0.35 0.52 0.00 0.00 175.17 175.78 1wd3 n THR 190 N 6.55 1.83 0.00 1.71 -2.24 -1.26 -5.04 114.28 115.83 1wd3 n THR 190 Ca 0.06 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1wd3 n THR 190 Cb 0.49 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1wd3 n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wd3 n GLY 191 N 0.91 2.60 3.63 3.38 0.00 -1.26 -4.88 105.19 109.57 1wd3 n GLY 191 Ca 0.23 -1.95 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 1wd3 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 n ALA 192 N 0.67 0.37 -0.16 4.61 0.00 -1.26 -1.77 120.51 122.97 1wd3 n ALA 192 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1wd3 n ALA 192 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1wd3 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wd3 n GLY 193 N 1.05 1.46 1.28 0.00 0.00 0.22 -4.66 105.19 104.54 1wd3 n GLY 193 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1wd3 n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wd3 n HIS 194 N -2.00 1.18 -3.75 1.61 -0.00 -0.73 -0.28 115.22 111.25 1wd3 n HIS 194 Ca 0.00 -0.43 -0.10 0.00 -0.00 0.00 0.00 57.72 57.19 1wd3 n HIS 194 Cb 0.00 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.99 29.64 1wd3 n HIS 194 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1wd3 s MET 195 N -1.96 0.91 -0.38 -0.41 -1.94 -1.25 -3.59 119.30 110.69 1wd3 s MET 195 Ca 0.34 -0.75 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 1wd3 s MET 195 Cb 0.24 0.39 0.18 0.00 2.01 0.00 0.00 34.83 37.66 1wd3 s MET 195 CO 0.13 -0.32 0.76 -2.00 -0.01 0.00 0.00 175.02 173.57 1wd3 s GLU 196 N -3.50 0.61 0.04 2.03 2.12 -0.21 -4.20 118.70 115.59 1wd3 s GLU 196 Ca 0.02 -0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1wd3 s GLU 196 Cb 0.02 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 1wd3 s GLU 196 CO -0.09 -0.90 0.03 0.00 -0.54 0.00 0.00 175.26 173.76 1wd3 s ALA 197 N 1.95 0.18 0.32 6.30 0.00 -0.73 -1.25 121.76 128.52 1wd3 s ALA 197 Ca 0.16 -0.82 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 1wd3 s ALA 197 Cb -0.02 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 1wd3 s ALA 197 CO -0.10 -0.32 1.16 0.42 0.00 0.00 0.00 175.76 176.92 1wd3 s ILE 198 N -2.98 3.24 -0.01 0.00 1.01 -0.00 -0.43 121.20 122.02 1wd3 s ILE 198 Ca -0.02 1.20 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1wd3 s ILE 198 Cb 0.01 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1wd3 s ILE 198 CO -0.06 0.26 -0.12 -0.47 0.00 0.00 0.00 174.94 174.54 1wd3 s TYR 199 N -1.21 1.07 -0.07 3.97 5.04 -0.13 -1.35 117.35 124.66 1wd3 s TYR 199 Ca 0.48 -0.22 -0.02 0.00 -2.44 0.00 0.00 57.07 54.87 1wd3 s TYR 199 Cb -0.33 -0.70 0.03 0.00 0.35 0.00 0.00 41.96 41.31 1wd3 s TYR 199 CO 0.43 -0.03 0.05 -1.17 -1.34 0.00 0.00 175.55 173.49 1wd3 s LEU 200 N -0.20 0.31 0.00 6.97 2.96 -0.94 -1.10 118.68 126.68 1wd3 s LEU 200 Ca 0.03 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1wd3 s LEU 200 Cb -0.05 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1wd3 s LEU 200 CO -0.00 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 1wd3 n GLY 201 N 5.25 -1.70 1.84 7.98 0.00 -1.16 -4.57 105.19 112.82 1wd3 n GLY 201 Ca -0.05 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 1wd3 n GLY 201 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wd3 n ASN 202 N 2.01 4.64 -4.77 1.61 6.94 -0.67 -0.84 115.26 124.18 1wd3 n ASN 202 Ca 0.00 -3.77 -0.40 0.00 -0.02 0.00 0.00 54.58 50.38 1wd3 n ASN 202 Cb 0.00 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 36.98 1wd3 n ASN 202 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1wd3 s SER 203 N -3.39 6.64 -0.00 0.53 0.15 -1.26 -4.66 113.70 111.71 1wd3 s SER 203 Ca 0.50 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.82 1wd3 s SER 203 Cb 0.41 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1wd3 s SER 203 CO 0.02 -0.62 0.86 0.35 1.20 0.00 0.00 173.24 175.05 1wd3 n THR 204 N 0.59 0.73 0.13 6.45 -2.24 -1.26 -4.63 114.28 114.05 1wd3 n THR 204 Ca 0.01 -0.74 0.07 0.00 -2.27 0.00 0.00 64.05 61.13 1wd3 n THR 204 Cb 0.42 0.63 0.55 0.00 -2.10 0.00 0.00 70.33 69.83 1wd3 n THR 204 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1wd3 h THR 205 N 0.87 1.03 0.00 4.28 2.02 -1.90 -3.42 112.91 115.78 1wd3 h THR 205 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1wd3 h THR 205 Cb 0.65 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1wd3 h THR 205 CO 0.00 0.04 0.00 0.79 0.37 0.00 0.00 175.52 176.72 1wd3 n TRP 206 N -4.50 0.00 -2.54 3.16 8.01 -1.26 -5.04 117.44 115.27 1wd3 n TRP 206 Ca 0.01 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.94 1wd3 n TRP 206 Cb 0.11 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.44 1wd3 n TRP 206 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1wd3 s GLY 207 N 0.00 1.61 -0.06 6.99 0.00 -0.47 -3.72 107.32 111.68 1wd3 s GLY 207 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1wd3 s GLY 207 CO 0.00 -0.56 0.94 -2.52 0.00 0.00 0.00 173.10 170.96 1wd3 s TYR 208 N -2.89 -0.33 0.00 1.90 -0.85 -0.91 -4.43 117.35 109.84 1wd3 s TYR 208 Ca 0.53 0.30 0.00 0.00 -0.52 0.00 0.00 57.07 57.38 1wd3 s TYR 208 Cb -0.10 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1wd3 s TYR 208 CO 0.43 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 174.40 1wd3 n GLY 209 N -0.01 2.74 3.88 5.49 0.00 -1.26 -1.79 105.19 114.23 1wd3 n GLY 209 Ca -0.08 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 1wd3 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 s ALA 210 N -2.34 3.34 0.00 4.61 0.00 0.16 -4.78 121.76 122.75 1wd3 s ALA 210 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1wd3 s ALA 210 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1wd3 s ALA 210 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1wd3 n GLY 211 N -1.38 -1.49 0.06 0.00 0.00 -1.26 -3.05 105.19 98.08 1wd3 n GLY 211 Ca 0.02 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1wd3 n GLY 211 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wd3 n ASP 212 N -0.01 0.50 0.00 1.61 8.00 -1.26 -4.99 116.55 120.41 1wd3 n ASP 212 Ca 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1wd3 n ASP 212 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1wd3 n ASP 212 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wd3 n GLY 213 N 1.44 -2.40 3.74 0.44 0.00 -1.26 -4.91 105.19 102.24 1wd3 n GLY 213 Ca 0.08 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1wd3 n GLY 213 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wd3 s PRO 214 N -0.39 0.56 0.04 1.61 0.04 -1.26 -4.59 135.00 131.02 1wd3 s PRO 214 Ca 0.00 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.34 1wd3 s PRO 214 Cb 0.00 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1wd3 s PRO 214 CO 0.00 -2.58 -0.15 -1.58 0.04 0.00 0.00 177.00 172.73 1wd3 s TRP 215 N -3.20 1.28 -0.22 0.56 0.51 -0.02 -1.16 118.94 116.69 1wd3 s TRP 215 Ca 0.66 -0.37 -0.22 0.00 -2.12 0.00 0.00 56.10 54.05 1wd3 s TRP 215 Cb -0.14 -0.76 -0.02 0.00 -0.81 0.00 0.00 33.47 31.74 1wd3 s TRP 215 CO 0.55 0.05 0.68 0.42 -0.51 0.00 0.00 176.95 178.13 1wd3 s ILE 216 N -0.90 4.97 0.31 2.03 1.01 -1.26 -2.99 121.20 124.37 1wd3 s ILE 216 Ca 0.02 1.27 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1wd3 s ILE 216 Cb -0.08 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1wd3 s ILE 216 CO 0.01 0.05 0.10 -0.04 0.00 0.00 0.00 174.94 175.07 1wd3 s MET 217 N 2.25 1.61 -0.20 2.79 -1.94 -0.26 -4.86 119.30 118.70 1wd3 s MET 217 Ca 0.30 -1.91 -0.02 0.00 -1.71 0.00 0.00 55.69 52.35 1wd3 s MET 217 Cb -0.16 -0.48 -0.01 0.00 2.01 0.00 0.00 34.83 36.20 1wd3 s MET 217 CO 0.09 -0.32 -0.08 0.08 -0.01 0.00 0.00 175.02 174.78 1wd3 s VAL 218 N -3.50 3.13 -0.44 -6.03 1.01 -0.37 -0.96 120.40 113.24 1wd3 s VAL 218 Ca 0.35 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1wd3 s VAL 218 Cb 0.07 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wd3 s VAL 218 CO 0.15 0.46 0.86 -0.62 0.00 0.00 0.00 175.10 175.95 1wd3 s ASP 219 N 1.21 6.48 -0.10 3.32 -1.08 0.42 -0.44 116.67 126.48 1wd3 s ASP 219 Ca 0.02 0.09 0.14 0.00 -0.52 0.00 0.00 52.55 52.28 1wd3 s ASP 219 Cb -0.14 -2.42 0.46 0.00 -1.46 0.00 0.00 42.92 39.36 1wd3 s ASP 219 CO -0.03 -0.96 1.38 0.23 0.52 0.00 0.00 175.17 176.31 1wd3 n MET 220 N 6.91 3.02 0.00 4.34 2.81 -0.84 -1.78 117.12 131.59 1wd3 n MET 220 Ca 0.05 -2.54 0.00 0.00 -1.81 0.00 0.00 57.70 53.39 1wd3 n MET 220 Cb 0.48 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1wd3 n MET 220 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1wd3 n GLU 221 N 0.06 0.00 -1.76 0.03 4.07 -1.26 -0.61 120.64 121.17 1wd3 n GLU 221 Ca 0.18 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.08 1wd3 n GLU 221 Cb 0.72 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 32.02 1wd3 n GLU 221 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1wd3 n ASN 222 N -0.62 -5.47 0.00 4.31 3.02 -1.26 -4.38 115.26 110.85 1wd3 n ASN 222 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1wd3 n ASN 222 Cb 0.00 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 34.39 1wd3 n ASN 222 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wd3 n ASN 223 N -1.47 0.00 -4.49 6.41 5.03 -1.26 -5.03 115.26 114.45 1wd3 n ASN 223 Ca -0.21 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.88 1wd3 n ASN 223 Cb 0.67 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.32 1wd3 n ASN 223 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wd3 s LEU 224 N 0.00 3.52 -0.19 3.41 1.43 -1.26 -1.98 118.68 123.62 1wd3 s LEU 224 Ca 0.00 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1wd3 s LEU 224 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1wd3 s LEU 224 CO 0.00 0.02 0.05 -0.36 0.23 0.00 0.00 176.35 176.29 1wd3 s PHE 225 N 1.30 3.21 -1.94 0.29 0.08 0.41 -1.36 117.98 119.97 1wd3 s PHE 225 Ca 0.05 -0.01 0.17 0.00 0.12 0.00 0.00 56.93 57.27 1wd3 s PHE 225 Cb -0.15 -2.08 0.08 0.00 -0.57 0.00 0.00 43.02 40.31 1wd3 s PHE 225 CO 0.03 0.09 0.99 -1.13 -0.10 0.00 0.00 175.22 175.10 1wd3 n SER 226 N 3.65 2.15 0.00 1.36 3.41 -1.26 -1.24 113.62 121.69 1wd3 n SER 226 Ca -0.17 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1wd3 n SER 226 Cb 0.52 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1wd3 n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wd3 n GLY 227 N 1.07 -0.89 0.26 5.00 0.00 -1.26 -4.22 105.19 105.14 1wd3 n GLY 227 Ca 0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1wd3 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 h ALA 228 N 0.00 1.26 -2.49 4.61 0.00 -1.96 -3.45 119.26 117.24 1wd3 h ALA 228 Ca 0.00 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 1wd3 h ALA 228 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wd3 h ALA 228 CO 0.00 0.49 -0.14 -0.51 0.00 0.00 0.00 179.25 179.09 1wd3 s ASP 229 N -6.77 6.52 0.36 0.00 1.01 -1.26 -4.19 116.67 112.34 1wd3 s ASP 229 Ca -0.07 0.79 -0.26 0.00 0.71 0.00 0.00 52.55 53.71 1wd3 s ASP 229 Cb 0.15 -2.17 -0.09 0.00 1.01 0.00 0.00 42.92 41.81 1wd3 s ASP 229 CO 0.78 -0.13 1.14 -1.61 0.21 0.00 0.00 175.17 175.55 1wd3 s GLU 230 N -3.21 4.25 2.34 8.23 2.02 -1.26 -4.69 118.70 126.38 1wd3 s GLU 230 Ca 0.45 1.80 0.00 0.00 0.02 0.00 0.00 54.97 57.24 1wd3 s GLU 230 Cb -0.11 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1wd3 s GLU 230 CO 0.26 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1wd3 n GLY 231 N 0.73 0.68 3.76 -1.39 0.00 -1.24 -4.94 105.19 102.79 1wd3 n GLY 231 Ca 0.03 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1wd3 n GLY 231 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wd3 s TYR 232 N 0.00 3.20 -0.23 1.61 5.04 -1.26 -2.14 117.35 123.56 1wd3 s TYR 232 Ca 0.00 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 56.00 1wd3 s TYR 232 Cb 0.00 -3.59 0.11 0.00 0.35 0.00 0.00 41.96 38.82 1wd3 s TYR 232 CO 0.00 -1.65 0.25 -0.80 -1.34 0.00 0.00 175.55 172.00 1wd3 s ASN 233 N -0.32 1.49 0.61 4.32 0.01 -0.74 -4.84 114.94 115.47 1wd3 s ASN 233 Ca 0.50 -0.39 0.33 0.00 -0.71 0.00 0.00 52.86 52.60 1wd3 s ASN 233 Cb -0.38 0.43 1.94 0.00 0.41 0.00 0.00 41.25 43.66 1wd3 s ASN 233 CO 0.47 -0.35 2.25 0.77 -1.51 0.00 0.00 177.10 178.72 1wd3 h SER 234 N 8.29 0.00 0.68 -1.22 4.64 -1.90 -2.75 113.55 121.29 1wd3 h SER 234 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1wd3 h SER 234 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1wd3 h SER 234 CO 0.30 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.49 1wd3 h GLY 235 N 0.00 0.00 -7.29 -0.77 0.00 -1.87 -3.40 103.07 89.74 1wd3 h GLY 235 Ca 0.02 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.62 1wd3 h GLY 235 CO -0.00 0.00 -0.24 -0.35 0.00 0.00 0.00 176.54 175.95 1wd3 s ASP 236 N -4.65 6.17 0.65 0.19 2.15 -1.04 -4.73 116.67 115.41 1wd3 s ASP 236 Ca 0.02 -1.23 -0.11 0.00 0.43 0.00 0.00 52.55 51.66 1wd3 s ASP 236 Cb 0.09 -2.21 -0.02 0.00 -0.30 0.00 0.00 42.92 40.48 1wd3 s ASP 236 CO 0.41 -0.71 1.05 -2.16 -0.17 0.00 0.00 175.17 173.59 1wd3 s PRO 237 N 1.87 3.29 0.33 4.34 0.04 -1.26 -0.67 135.00 142.94 1wd3 s PRO 237 Ca 0.07 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.42 1wd3 s PRO 237 Cb -0.23 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1wd3 s PRO 237 CO 0.08 -0.74 1.19 -1.12 0.04 0.00 0.00 177.00 176.44 1wd3 s SER 238 N -4.25 6.90 -0.17 6.66 0.01 -1.17 -4.64 113.70 117.04 1wd3 s SER 238 Ca 0.56 2.44 -0.03 0.00 1.31 0.00 0.00 55.95 60.22 1wd3 s SER 238 Cb -0.11 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.54 1wd3 s SER 238 CO 0.53 -0.42 0.05 -0.51 0.41 0.00 0.00 173.24 173.29 1wd3 s ILE 239 N -1.22 0.32 -0.15 1.44 2.07 -0.31 -4.96 121.20 118.40 1wd3 s ILE 239 Ca 0.49 -0.34 0.16 0.00 -1.41 0.00 0.00 60.65 59.55 1wd3 s ILE 239 Cb -0.34 -0.82 0.32 0.00 0.13 0.00 0.00 42.46 41.75 1wd3 s ILE 239 CO 0.45 -0.16 1.17 -1.54 -1.91 0.00 0.00 174.94 172.94 1wd3 n SER 240 N 5.13 2.04 -4.74 4.50 3.41 -1.26 -4.24 113.62 118.45 1wd3 n SER 240 Ca -0.08 -3.28 -0.39 0.00 -0.26 0.00 0.00 58.87 54.87 1wd3 n SER 240 Cb 0.48 -0.45 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1wd3 n SER 240 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wd3 n TYR 241 N -1.25 2.27 0.01 7.33 4.01 -1.26 -4.24 117.16 124.04 1wd3 n TYR 241 Ca 0.16 0.43 0.13 0.00 -0.16 0.00 0.00 57.90 58.46 1wd3 n TYR 241 Cb 0.67 -2.36 0.57 0.00 -0.31 0.00 0.00 39.34 37.91 1wd3 n TYR 241 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1wd3 h ARG 242 N 1.48 0.23 -4.15 -0.72 9.65 -1.91 -0.51 114.38 118.45 1wd3 h ARG 242 Ca -0.51 -0.01 -0.55 0.00 -1.10 0.00 0.00 59.98 57.81 1wd3 h ARG 242 Cb 1.30 -0.05 -0.38 0.00 -1.39 0.00 0.00 29.97 29.45 1wd3 h ARG 242 CO 0.57 0.15 -0.79 -0.06 2.80 0.00 0.00 179.97 182.64 1wd3 s PHE 243 N -5.24 1.71 -0.07 2.20 0.08 -1.26 -3.41 117.98 112.00 1wd3 s PHE 243 Ca -0.06 -1.11 0.02 0.00 0.12 0.00 0.00 56.93 55.90 1wd3 s PHE 243 Cb 0.19 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 1wd3 s PHE 243 CO 0.73 -0.62 -0.13 0.08 -0.10 0.00 0.00 175.22 175.17 1wd3 s VAL 244 N 1.63 3.13 -0.29 -0.44 1.01 0.79 -0.44 120.40 125.79 1wd3 s VAL 244 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1wd3 s VAL 244 Cb -0.15 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1wd3 s VAL 244 CO -0.08 0.57 0.15 -0.89 0.00 0.00 0.00 175.10 174.86 1wd3 s THR 245 N -0.43 4.82 -0.22 3.92 2.01 -0.27 -0.39 115.64 125.08 1wd3 s THR 245 Ca 0.05 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1wd3 s THR 245 Cb -0.12 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1wd3 s THR 245 CO 0.02 0.19 -0.05 0.00 -0.69 0.00 0.00 174.62 174.10 1wd3 s ALA 246 N 1.67 2.80 -0.15 7.40 0.00 -0.31 -1.78 121.76 131.39 1wd3 s ALA 246 Ca 0.06 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1wd3 s ALA 246 Cb -0.16 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1wd3 s ALA 246 CO 0.07 -0.46 -0.20 0.00 0.00 0.00 0.00 175.76 175.18 1wd3 s ALA 247 N 1.47 2.16 0.04 0.00 0.00 0.05 -1.30 121.76 124.17 1wd3 s ALA 247 Ca 0.05 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1wd3 s ALA 247 Cb -0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1wd3 s ALA 247 CO -0.04 -0.16 -0.13 0.08 0.00 0.00 0.00 175.76 175.50 1wd3 s VAL 248 N 1.05 1.06 0.03 0.00 1.01 -0.30 -0.66 120.40 122.59 1wd3 s VAL 248 Ca -0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1wd3 s VAL 248 Cb -0.14 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1wd3 s VAL 248 CO -0.06 -0.04 0.24 -1.59 0.00 0.00 0.00 175.10 173.66 1wd3 s LYS 249 N -1.19 0.71 -0.13 2.72 -2.85 -1.03 -0.54 119.74 117.44 1wd3 s LYS 249 Ca 0.01 -0.51 -0.12 0.00 -1.00 0.00 0.00 55.97 54.34 1wd3 s LYS 249 Cb -0.08 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 36.03 1wd3 s LYS 249 CO 0.01 -0.21 0.35 0.20 0.10 0.00 0.00 175.35 175.80 1wd3 s GLY 250 N -1.93 -0.26 0.00 0.59 0.00 -0.15 -1.32 107.32 104.25 1wd3 s GLY 250 Ca -0.07 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1wd3 s GLY 250 CO -0.02 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.57 1wd3 n GLY 251 N 2.98 4.16 3.58 0.20 0.00 0.11 -1.26 105.19 114.95 1wd3 n GLY 251 Ca -0.14 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 1wd3 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 s ALA 252 N -1.77 2.27 -1.53 4.61 0.00 -1.26 -2.41 121.76 121.67 1wd3 s ALA 252 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 1wd3 s ALA 252 Cb 0.00 -4.19 0.08 0.00 0.00 0.00 0.00 23.12 19.01 1wd3 s ALA 252 CO 0.00 -3.50 0.92 -3.47 0.00 0.00 0.00 175.76 169.72 1wd3 n ASP 253 N 13.47 -4.18 -3.59 0.00 2.03 -1.26 -4.97 116.55 118.05 1wd3 n ASP 253 Ca 0.33 -0.81 -0.16 0.00 0.52 0.00 0.00 54.79 54.66 1wd3 n ASP 253 Cb 0.49 -3.76 -0.07 0.00 -0.72 0.00 0.00 41.12 37.06 1wd3 n ASP 253 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1wd3 s LYS 254 N -6.59 0.92 0.17 -0.67 -2.85 -1.01 -3.72 119.74 105.98 1wd3 s LYS 254 Ca 0.59 0.46 -0.24 0.00 -1.00 0.00 0.00 55.97 55.78 1wd3 s LYS 254 Cb -0.30 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 35.96 1wd3 s LYS 254 CO 0.84 -0.23 0.82 1.67 0.10 0.00 0.00 175.35 178.55 1wd3 s TRP 255 N -0.64 -0.24 0.07 1.78 1.48 -0.61 0.05 118.94 120.83 1wd3 s TRP 255 Ca -0.07 -0.07 -0.22 0.00 -1.06 0.00 0.00 56.10 54.68 1wd3 s TRP 255 Cb -0.02 0.63 0.05 0.00 -1.16 0.00 0.00 33.47 32.97 1wd3 s TRP 255 CO 0.06 -0.92 0.52 0.00 -4.06 0.00 0.00 176.95 172.55 1wd3 s ALA 256 N -3.53 -1.31 -0.10 2.67 0.00 -0.44 -2.24 121.76 116.81 1wd3 s ALA 256 Ca 0.09 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1wd3 s ALA 256 Cb -0.03 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1wd3 s ALA 256 CO -0.00 -0.56 -0.13 0.42 0.00 0.00 0.00 175.76 175.49 1wd3 s ILE 257 N -2.80 1.34 -0.02 0.00 1.01 -0.34 -2.46 121.20 117.94 1wd3 s ILE 257 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1wd3 s ILE 257 Cb -0.00 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1wd3 s ILE 257 CO -0.05 0.41 -0.07 -0.13 0.00 0.00 0.00 174.94 175.10 1wd3 s ARG 258 N 1.05 0.74 0.08 2.79 0.52 0.17 -0.51 118.95 123.79 1wd3 s ARG 258 Ca -0.06 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1wd3 s ARG 258 Cb -0.15 -0.71 -0.04 0.00 0.52 0.00 0.00 34.95 34.57 1wd3 s ARG 258 CO -0.02 0.11 -0.06 0.20 0.02 0.00 0.00 175.30 175.55 1wd3 s GLY 259 N 0.11 0.66 0.23 -3.53 0.00 -0.43 -0.77 107.32 103.58 1wd3 s GLY 259 Ca -0.01 -1.26 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 1wd3 s GLY 259 CO -0.00 -1.36 0.78 0.00 0.00 0.00 0.00 173.10 172.52 1wd3 s ALA 260 N -3.50 -1.39 -0.30 3.20 0.00 -0.73 -0.63 121.76 118.40 1wd3 s ALA 260 Ca 0.09 -0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1wd3 s ALA 260 Cb 0.05 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1wd3 s ALA 260 CO -0.06 -1.01 0.97 1.21 0.00 0.00 0.00 175.76 176.87 1wd3 s ASN 261 N -2.90 6.85 0.26 0.00 3.84 -1.26 -1.12 114.94 120.61 1wd3 s ASN 261 Ca 0.10 0.95 0.20 0.00 0.21 0.00 0.00 52.86 54.32 1wd3 s ASN 261 Cb -0.04 -2.49 0.99 0.00 -0.55 0.00 0.00 41.25 39.15 1wd3 s ASN 261 CO 0.04 -0.76 1.62 0.00 -2.79 0.00 0.00 177.10 175.21 1wd3 n ALA 262 N 6.56 1.31 1.00 1.71 0.00 0.42 -1.84 120.51 129.68 1wd3 n ALA 262 Ca 0.09 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1wd3 n ALA 262 Cb 0.47 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.65 1wd3 n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wd3 n ALA 263 N -1.74 4.20 -3.64 0.00 0.00 -1.26 -3.60 120.51 114.47 1wd3 n ALA 263 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 1wd3 n ALA 263 Cb 0.12 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 1wd3 n ALA 263 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wd3 s SER 264 N -2.98 -0.33 0.00 0.00 0.15 -0.77 -4.90 113.70 104.87 1wd3 s SER 264 Ca 0.10 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1wd3 s SER 264 Cb 0.17 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1wd3 s SER 264 CO 0.79 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.71 1wd3 n GLY 265 N 1.93 -1.85 3.99 9.45 0.00 -1.26 -4.10 105.19 113.35 1wd3 n GLY 265 Ca -0.12 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 1wd3 n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wd3 s SER 266 N -4.00 5.72 0.17 1.61 1.04 -1.26 -4.80 113.70 112.19 1wd3 s SER 266 Ca 0.00 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.85 1wd3 s SER 266 Cb 0.00 -0.88 -0.08 0.00 0.10 0.00 0.00 66.02 65.17 1wd3 s SER 266 CO 0.00 -0.62 0.73 -0.76 0.98 0.00 0.00 173.24 173.57 1wd3 s LEU 267 N -4.26 4.50 -0.04 2.42 1.43 -1.26 -4.56 118.68 116.92 1wd3 s LEU 267 Ca 0.50 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 1wd3 s LEU 267 Cb -0.09 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1wd3 s LEU 267 CO 0.32 0.16 -0.14 -0.44 0.23 0.00 0.00 176.35 176.48 1wd3 s SER 268 N -1.30 4.07 -0.33 2.29 0.01 0.20 -4.90 113.70 113.74 1wd3 s SER 268 Ca 0.37 -0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.19 1wd3 s SER 268 Cb -0.20 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.18 1wd3 s SER 268 CO 0.23 0.33 0.76 -0.89 0.41 0.00 0.00 173.24 174.09 1wd3 s THR 269 N -0.78 4.79 -0.13 1.44 2.01 -1.26 -1.32 115.64 120.38 1wd3 s THR 269 Ca 0.12 1.01 0.18 0.00 0.31 0.00 0.00 61.69 63.31 1wd3 s THR 269 Cb -0.11 -4.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.12 1wd3 s THR 269 CO 0.02 -0.31 0.80 -1.22 -0.69 0.00 0.00 174.62 173.22 1wd3 n TYR 270 N 6.25 0.91 -3.63 4.92 4.01 0.33 -4.93 117.16 125.02 1wd3 n TYR 270 Ca 0.03 0.30 -0.14 0.00 -0.16 0.00 0.00 57.90 57.92 1wd3 n TYR 270 Cb 0.48 -1.05 -0.07 0.00 -0.31 0.00 0.00 39.34 38.39 1wd3 n TYR 270 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1wd3 s TYR 271 N -2.98 -0.70 -0.30 -0.72 5.04 -1.05 -4.36 117.35 112.28 1wd3 s TYR 271 Ca -0.03 1.64 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 1wd3 s TYR 271 Cb 0.09 0.27 0.16 0.00 0.35 0.00 0.00 41.96 42.83 1wd3 s TYR 271 CO 0.81 -0.39 0.62 0.45 -1.34 0.00 0.00 175.55 175.70 1wd3 s SER 272 N 0.07 -1.26 0.00 4.32 0.15 -1.26 -1.19 113.70 114.52 1wd3 s SER 272 Ca -0.02 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1wd3 s SER 272 Cb -0.04 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.49 1wd3 s SER 272 CO 0.02 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1wd3 n GLY 273 N 5.44 -0.82 3.70 9.45 0.00 -0.95 -5.01 105.19 117.00 1wd3 n GLY 273 Ca -0.06 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1wd3 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 s ALA 274 N -1.00 1.37 0.72 4.61 0.00 -1.26 -1.57 121.76 124.63 1wd3 s ALA 274 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1wd3 s ALA 274 Cb 0.00 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1wd3 s ALA 274 CO 0.00 -2.50 1.15 1.03 0.00 0.00 0.00 175.76 175.44 1wd3 s ARG 275 N -4.91 2.34 0.29 0.00 1.81 -1.24 -4.71 118.95 112.52 1wd3 s ARG 275 Ca 0.64 1.54 -0.30 0.00 -1.72 0.00 0.00 55.73 55.89 1wd3 s ARG 275 Cb -0.18 -1.88 -0.12 0.00 -0.45 0.00 0.00 34.95 32.32 1wd3 s ARG 275 CO 0.57 -1.64 1.56 -2.30 -0.68 0.00 0.00 175.30 172.81 1wd3 n PRO 276 N -2.77 2.58 -1.63 3.54 -0.02 -1.26 -4.83 135.00 130.60 1wd3 n PRO 276 Ca 0.12 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 62.10 1wd3 n PRO 276 Cb 0.51 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1wd3 n PRO 276 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wd3 n ASP 277 N 2.09 4.79 -4.08 2.55 2.03 -1.26 -4.74 116.55 117.95 1wd3 n ASP 277 Ca 0.09 -2.78 -0.12 0.00 0.52 0.00 0.00 54.79 52.50 1wd3 n ASP 277 Cb 0.36 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.02 1wd3 n ASP 277 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1wd3 s TYR 278 N 3.04 0.67 0.23 -0.67 2.02 -1.26 -5.12 117.35 116.26 1wd3 s TYR 278 Ca 0.52 -0.60 -0.32 0.00 -0.37 0.00 0.00 57.07 56.30 1wd3 s TYR 278 Cb 0.15 -0.40 -0.13 0.00 -0.40 0.00 0.00 41.96 41.17 1wd3 s TYR 278 CO -0.08 -0.12 1.51 0.43 -1.57 0.00 0.00 175.55 175.73 1wd3 n SER 279 N 1.14 3.18 0.00 2.29 7.64 -1.26 -3.01 113.62 123.61 1wd3 n SER 279 Ca -0.21 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1wd3 n SER 279 Cb 0.56 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1wd3 n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wd3 n GLY 280 N 2.59 0.67 0.19 0.23 0.00 -1.26 -4.86 105.19 102.74 1wd3 n GLY 280 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1wd3 n GLY 280 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wd3 n TYR 281 N -2.00 0.00 -3.39 1.61 4.01 -1.16 -3.21 117.16 113.02 1wd3 n TYR 281 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1wd3 n TYR 281 Cb 0.00 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.92 1wd3 n TYR 281 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1wd3 s ASN 282 N -2.78 0.03 0.77 7.72 2.47 -1.26 -3.87 114.94 118.02 1wd3 s ASN 282 Ca 0.13 0.41 -0.11 0.00 0.42 0.00 0.00 52.86 53.71 1wd3 s ASN 282 Cb 0.17 1.24 0.05 0.00 -1.45 0.00 0.00 41.25 41.26 1wd3 s ASN 282 CO 0.72 -0.28 1.09 -2.16 -3.72 0.00 0.00 177.10 172.74 1wd3 s PRO 283 N 2.58 2.29 0.72 0.43 0.04 -1.26 -5.07 135.00 134.73 1wd3 s PRO 283 Ca 0.11 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 1wd3 s PRO 283 Cb -0.15 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wd3 s PRO 283 CO -0.16 -1.51 1.10 -1.64 0.04 0.00 0.00 177.00 174.83 1wd3 s MET 284 N -5.09 2.67 -0.40 4.56 -1.94 -1.25 -4.84 119.30 113.00 1wd3 s MET 284 Ca 0.60 0.34 0.11 0.00 -1.71 0.00 0.00 55.69 55.03 1wd3 s MET 284 Cb -0.15 -2.03 0.41 0.00 2.01 0.00 0.00 34.83 35.07 1wd3 s MET 284 CO 0.55 -1.12 0.95 0.43 -0.01 0.00 0.00 175.02 175.81 1wd3 n SER 285 N -3.03 2.70 -4.76 3.03 7.64 0.61 -3.21 113.62 116.60 1wd3 n SER 285 Ca 0.07 -3.20 -0.39 0.00 1.01 0.00 0.00 58.87 56.35 1wd3 n SER 285 Cb 0.58 -0.53 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1wd3 n SER 285 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wd3 s LYS 286 N -3.15 3.52 -0.01 1.43 1.02 -0.47 -4.15 119.74 117.92 1wd3 s LYS 286 Ca 0.39 2.39 0.15 0.00 0.02 0.00 0.00 55.97 58.92 1wd3 s LYS 286 Cb 0.39 -2.54 -0.20 0.00 -0.52 0.00 0.00 37.83 34.96 1wd3 s LYS 286 CO -0.08 -0.94 0.44 0.39 -0.92 0.00 0.00 175.35 174.24 1wd3 n GLU 287 N -0.44 1.12 -0.32 1.68 1.02 -1.26 0.05 120.64 122.50 1wd3 n GLU 287 Ca 0.07 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1wd3 n GLU 287 Cb 0.42 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1wd3 n GLU 287 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wd3 n GLY 288 N 1.53 0.80 3.81 0.62 0.00 -1.22 -4.74 105.19 106.00 1wd3 n GLY 288 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wd3 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 s ALA 289 N -2.72 2.45 -0.10 4.61 0.00 -0.67 -4.45 121.76 120.88 1wd3 s ALA 289 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1wd3 s ALA 289 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1wd3 s ALA 289 CO 0.00 -1.49 -0.24 0.42 0.00 0.00 0.00 175.76 174.45 1wd3 s ILE 290 N -3.07 2.04 0.16 0.00 1.01 -0.53 -0.87 121.20 119.94 1wd3 s ILE 290 Ca 0.59 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 60.33 1wd3 s ILE 290 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1wd3 s ILE 290 CO 0.55 0.56 -0.21 0.27 0.00 0.00 0.00 174.94 176.10 1wd3 s ILE 291 N 0.30 2.00 -0.13 2.92 -4.36 -0.47 -1.36 121.20 120.11 1wd3 s ILE 291 Ca -0.18 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 58.29 1wd3 s ILE 291 Cb -0.18 -1.90 0.06 0.00 1.25 0.00 0.00 42.46 41.70 1wd3 s ILE 291 CO 0.08 -0.19 0.20 -0.22 0.24 0.00 0.00 174.94 175.06 1wd3 s LEU 292 N -2.51 -0.14 0.00 0.37 2.96 -0.66 -2.17 118.68 116.52 1wd3 s LEU 292 Ca 0.16 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1wd3 s LEU 292 Cb -0.07 0.42 0.00 0.00 0.50 0.00 0.00 46.19 47.03 1wd3 s LEU 292 CO 0.07 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 1wd3 n GLY 293 N 5.33 1.22 3.33 7.98 0.00 0.16 -1.76 105.19 121.44 1wd3 n GLY 293 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 1wd3 n GLY 293 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wd3 s ILE 294 N -3.08 0.23 0.54 -0.61 -4.36 -1.08 -4.41 121.20 108.43 1wd3 s ILE 294 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1wd3 s ILE 294 Cb 0.00 -2.48 0.03 0.00 1.25 0.00 0.00 42.46 41.26 1wd3 s ILE 294 CO 0.00 0.00 0.77 -0.83 0.24 0.00 0.00 174.94 175.12 1wd3 s GLY 295 N -3.38 1.78 0.29 6.27 0.00 -0.60 -3.62 107.32 108.05 1wd3 s GLY 295 Ca 0.36 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1wd3 s GLY 295 CO 0.20 -0.99 1.87 -1.33 0.00 0.00 0.00 173.10 172.85 1wd3 h GLY 296 N 0.08 1.49 -1.78 0.20 0.00 -1.94 0.84 103.07 101.97 1wd3 h GLY 296 Ca -0.43 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1wd3 h GLY 296 CO 0.53 0.24 0.00 2.09 0.00 0.00 0.00 176.54 179.40 1wd3 n ASP 297 N -4.54 2.59 -0.97 0.19 5.68 -1.26 -3.54 116.55 114.69 1wd3 n ASP 297 Ca 0.16 -2.26 -0.10 0.00 -0.50 0.00 0.00 54.79 52.09 1wd3 n ASP 297 Cb 0.28 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.78 1wd3 n ASP 297 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1wd3 n ASN 298 N 0.33 -3.82 -4.69 -1.12 5.15 0.29 -1.33 115.26 110.07 1wd3 n ASN 298 Ca 0.12 0.12 -0.44 0.00 -0.60 0.00 0.00 54.58 53.78 1wd3 n ASN 298 Cb 0.52 -2.64 -0.04 0.00 -0.53 0.00 0.00 39.78 37.10 1wd3 n ASN 298 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wd3 n SER 299 N 0.20 3.61 -2.52 1.20 7.64 -1.25 -4.59 113.62 117.91 1wd3 n SER 299 Ca -0.11 1.05 -0.18 0.00 1.01 0.00 0.00 58.87 60.64 1wd3 n SER 299 Cb 0.46 -1.50 0.02 0.00 -1.01 0.00 0.00 64.21 62.18 1wd3 n SER 299 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1wd3 n ASN 300 N 4.18 3.33 -0.40 6.43 6.94 -1.24 -1.56 115.26 132.93 1wd3 n ASN 300 Ca 0.17 -3.22 0.09 0.00 -0.02 0.00 0.00 54.58 51.61 1wd3 n ASN 300 Cb 0.32 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 37.26 1wd3 n ASN 300 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wd3 n GLY 301 N -0.38 -0.05 3.92 4.83 0.00 -0.77 -0.83 105.19 111.91 1wd3 n GLY 301 Ca 0.26 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1wd3 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wd3 s ALA 302 N -2.22 3.29 0.05 4.61 0.00 -1.24 -4.58 121.76 121.67 1wd3 s ALA 302 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1wd3 s ALA 302 Cb 0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1wd3 s ALA 302 CO 0.50 -0.87 -0.05 1.14 0.00 0.00 0.00 175.76 176.48 1wd3 s GLN 303 N -5.03 0.53 0.00 0.00 -2.07 -1.26 -3.38 119.66 108.45 1wd3 s GLN 303 Ca 0.55 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 1wd3 s GLN 303 Cb -0.11 -0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.77 1wd3 s GLN 303 CO 0.45 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.80 1wd3 n GLY 304 N 0.98 -0.44 3.02 2.60 0.00 -0.66 -3.98 105.19 106.72 1wd3 n GLY 304 Ca -0.20 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 1wd3 n GLY 304 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wd3 s THR 305 N -2.00 1.16 -0.18 2.61 2.01 -1.26 -0.39 115.64 117.60 1wd3 s THR 305 Ca 0.00 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 1wd3 s THR 305 Cb 0.00 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1wd3 s THR 305 CO 0.00 0.36 -0.04 0.12 -0.69 0.00 0.00 174.62 174.38 1wd3 s PHE 306 N 0.74 2.99 -0.18 4.92 5.36 -0.32 -2.72 117.98 128.79 1wd3 s PHE 306 Ca -0.13 -0.50 -0.03 0.00 -0.96 0.00 0.00 56.93 55.31 1wd3 s PHE 306 Cb -0.16 -2.01 -0.10 0.00 -0.34 0.00 0.00 43.02 40.41 1wd3 s PHE 306 CO 0.03 -0.21 -0.19 0.66 -1.46 0.00 0.00 175.22 174.05 1wd3 n TYR 307 N 3.99 0.00 -3.47 10.12 4.01 -0.52 -0.27 117.16 131.01 1wd3 n TYR 307 Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 1wd3 n TYR 307 Cb 0.52 -0.65 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 1wd3 n TYR 307 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1wd3 s GLU 308 N -2.34 1.06 -0.28 -0.72 -1.05 -1.24 -3.19 118.70 110.94 1wd3 s GLU 308 Ca -0.24 -0.32 -0.38 0.00 -0.15 0.00 0.00 54.97 53.88 1wd3 s GLU 308 Cb 0.08 0.49 0.16 0.00 -0.44 0.00 0.00 34.13 34.42 1wd3 s GLU 308 CO 0.36 -0.45 1.40 0.20 0.95 0.00 0.00 175.26 177.72 1wd3 s GLY 309 N -2.44 -0.22 0.21 -3.83 0.00 -0.09 -0.45 107.32 100.50 1wd3 s GLY 309 Ca 0.01 1.86 -0.08 0.00 0.00 0.00 0.00 44.72 46.51 1wd3 s GLY 309 CO -0.09 0.61 0.32 -1.34 0.00 0.00 0.00 173.10 172.60 1wd3 s VAL 310 N -2.01 0.02 -0.01 1.40 -7.23 -0.74 -0.85 120.40 110.98 1wd3 s VAL 310 Ca 0.12 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1wd3 s VAL 310 Cb -0.00 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 1wd3 s VAL 310 CO -0.02 -0.09 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.54 1wd3 s MET 311 N -4.04 0.76 0.40 4.82 -1.94 -0.43 -2.36 119.30 116.51 1wd3 s MET 311 Ca 0.25 -0.34 0.06 0.00 -1.71 0.00 0.00 55.69 53.95 1wd3 s MET 311 Cb 0.03 -0.73 -0.07 0.00 2.01 0.00 0.00 34.83 36.07 1wd3 s MET 311 CO 0.07 0.20 0.02 0.95 -0.01 0.00 0.00 175.02 176.26 1wd3 s THR 312 N -0.23 1.69 -0.22 2.05 -4.23 0.44 -0.34 115.64 114.81 1wd3 s THR 312 Ca 0.04 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1wd3 s THR 312 Cb -0.04 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 1wd3 s THR 312 CO -0.00 0.00 0.06 -0.55 -0.54 0.00 0.00 174.62 173.59 1wd3 s SER 313 N -3.68 5.30 0.00 3.99 0.15 -0.43 -3.65 113.70 115.39 1wd3 s SER 313 Ca 0.32 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1wd3 s SER 313 Cb 0.09 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1wd3 s SER 313 CO 0.16 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wd3 n GLY 314 N 4.29 2.25 3.49 9.45 0.00 -0.43 -3.81 105.19 120.42 1wd3 n GLY 314 Ca -0.16 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1wd3 n GLY 314 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wd3 s TYR 315 N -2.99 2.95 0.37 1.61 5.04 -1.26 -2.87 117.35 120.20 1wd3 s TYR 315 Ca 0.00 -0.24 -0.28 0.00 -2.44 0.00 0.00 57.07 54.11 1wd3 s TYR 315 Cb 0.00 -3.71 -0.11 0.00 0.35 0.00 0.00 41.96 38.49 1wd3 s TYR 315 CO 0.00 -1.12 1.50 -2.14 -1.34 0.00 0.00 175.55 172.45 1wd3 s PRO 316 N 3.18 4.11 0.64 4.97 0.02 -1.26 -4.99 135.00 141.66 1wd3 s PRO 316 Ca 0.23 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.70 1wd3 s PRO 316 Cb -0.16 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 1wd3 s PRO 316 CO 0.16 -0.55 1.04 -1.54 -0.33 0.00 0.00 177.00 175.79 1wd3 s SER 317 N -0.06 5.80 0.25 2.53 1.04 -1.26 -4.91 113.70 117.09 1wd3 s SER 317 Ca 0.54 1.60 -0.05 0.00 0.48 0.00 0.00 55.95 58.52 1wd3 s SER 317 Cb -0.47 -2.50 0.31 0.00 0.10 0.00 0.00 66.02 63.47 1wd3 s SER 317 CO 0.61 -1.16 1.90 0.44 0.98 0.00 0.00 173.24 176.02 1wd3 h ASP 318 N -0.25 1.08 -0.75 7.02 5.19 -1.99 -2.25 116.42 124.46 1wd3 h ASP 318 Ca -0.45 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.98 1wd3 h ASP 318 Cb 1.20 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.42 1wd3 h ASP 318 CO 0.59 0.74 0.48 0.44 -3.12 0.00 0.00 179.24 178.37 1wd3 h ASP 319 N 1.25 0.80 -0.33 6.45 3.32 -1.99 0.12 116.42 126.04 1wd3 h ASP 319 Ca 0.39 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1wd3 h ASP 319 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1wd3 h ASP 319 CO -0.12 0.56 0.19 0.74 -1.72 0.00 0.00 179.24 178.90 1wd3 h THR 320 N 0.95 1.12 -0.48 0.35 2.02 -1.79 -1.41 112.91 113.66 1wd3 h THR 320 Ca 0.29 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1wd3 h THR 320 Cb -0.02 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1wd3 h THR 320 CO -0.09 0.12 0.10 -0.33 0.37 0.00 0.00 175.52 175.69 1wd3 h GLU 321 N 0.42 0.74 -0.89 6.66 5.08 -1.01 -1.48 114.58 124.10 1wd3 h GLU 321 Ca 0.12 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1wd3 h GLU 321 Cb 0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1wd3 h GLU 321 CO -0.02 0.68 0.47 -0.91 -1.00 0.00 0.00 179.01 178.23 1wd3 h ASN 322 N 0.71 1.12 -0.19 1.42 2.35 -0.24 0.78 115.58 121.54 1wd3 h ASN 322 Ca 0.16 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1wd3 h ASN 322 Cb 0.29 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1wd3 h ASN 322 CO 0.00 0.92 -0.21 0.28 -1.65 0.00 0.00 177.43 176.76 1wd3 h SER 323 N 1.25 0.63 -0.45 5.81 0.02 -0.64 -0.76 113.55 119.41 1wd3 h SER 323 Ca 0.31 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1wd3 h SER 323 Cb 0.06 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1wd3 h SER 323 CO -0.05 0.84 0.04 0.58 -1.14 0.00 0.00 176.83 177.11 1wd3 h VAL 324 N 0.56 1.25 -0.76 2.27 2.07 -0.40 -1.66 116.25 119.58 1wd3 h VAL 324 Ca 0.08 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1wd3 h VAL 324 Cb 0.67 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1wd3 h VAL 324 CO 0.05 0.34 0.32 -0.61 0.02 0.00 0.00 177.57 177.68 1wd3 h GLN 325 N 0.63 1.12 -0.88 1.57 5.75 -0.61 -0.46 115.11 122.24 1wd3 h GLN 325 Ca 0.13 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1wd3 h GLN 325 Cb 0.43 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.75 1wd3 h GLN 325 CO 0.02 0.90 0.58 1.49 -2.65 0.00 0.00 178.83 179.16 1wd3 h GLU 326 N 1.10 1.13 -0.46 1.69 4.81 -0.84 -0.67 114.58 121.34 1wd3 h GLU 326 Ca 0.26 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1wd3 h GLU 326 Cb 0.19 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1wd3 h GLU 326 CO -0.02 0.75 0.02 -0.97 -0.73 0.00 0.00 179.01 178.06 1wd3 h ASN 327 N 1.17 0.78 -0.49 1.04 -0.73 -0.46 -2.04 115.58 114.84 1wd3 h ASN 327 Ca 0.33 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1wd3 h ASN 327 Cb -0.10 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.25 1wd3 h ASN 327 CO -0.08 0.88 0.32 0.40 -0.37 0.00 0.00 177.43 178.57 1wd3 h ILE 328 N 0.66 1.14 -0.85 2.57 2.04 -0.57 -1.47 117.51 121.03 1wd3 h ILE 328 Ca 0.13 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1wd3 h ILE 328 Cb 0.47 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1wd3 h ILE 328 CO 0.02 0.13 0.55 0.58 0.00 0.00 0.00 178.15 179.44 1wd3 h VAL 329 N 0.66 1.19 0.00 1.67 2.07 -1.01 -1.40 116.25 119.43 1wd3 h VAL 329 Ca 0.18 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1wd3 h VAL 329 Cb -0.05 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1wd3 h VAL 329 CO -0.04 0.20 -0.09 0.00 0.02 0.00 0.00 177.57 177.66 1wd3 h ALA 330 N 1.32 1.16 0.00 1.67 0.00 -0.67 -1.28 119.26 121.47 1wd3 h ALA 330 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wd3 h ALA 330 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wd3 h ALA 330 CO -0.08 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1wd3 h ALA 331 N 1.91 1.00 -5.92 0.00 0.00 -0.23 -3.46 119.26 112.56 1wd3 h ALA 331 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1wd3 h ALA 331 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wd3 h ALA 331 CO 0.01 0.00 -0.45 1.63 0.00 0.00 0.00 179.25 180.44 1wd3 n LYS 332 N -2.95 -1.41 -2.32 0.00 5.02 -0.48 -1.65 118.16 114.36 1wd3 n LYS 332 Ca 0.01 1.18 -0.42 0.00 -2.02 0.00 0.00 58.31 57.06 1wd3 n LYS 332 Cb 0.27 -4.41 -0.03 0.00 -0.02 0.00 0.00 35.03 30.84 1wd3 n LYS 332 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1wd3 s TYR 333 N -3.01 3.37 -0.01 2.13 1.51 -1.26 -1.54 117.35 118.53 1wd3 s TYR 333 Ca 0.02 1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 57.32 1wd3 s TYR 333 Cb -0.01 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.34 1wd3 s TYR 333 CO 0.81 -1.56 0.05 0.08 -1.11 0.00 0.00 175.55 173.82 1wd3 s VAL 334 N 0.52 0.03 0.39 0.71 1.01 -0.54 -4.88 120.40 117.64 1wd3 s VAL 334 Ca 0.57 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 1wd3 s VAL 334 Cb -0.33 -0.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.81 1wd3 s VAL 334 CO 0.33 -0.11 1.40 -0.69 0.00 0.00 0.00 175.10 176.03 1wd3 s VAL 335 N -0.34 2.28 0.58 2.92 1.01 -1.26 -1.22 120.40 124.37 1wd3 s VAL 335 Ca -0.04 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1wd3 s VAL 335 Cb -0.03 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.27 1wd3 s VAL 335 CO 0.00 0.05 0.67 -0.83 0.00 0.00 0.00 175.10 174.99 1wd3 s GLY 336 N -0.41 1.97 0.04 4.51 0.00 -0.54 -4.64 107.32 108.25 1wd3 s GLY 336 Ca 0.55 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 1wd3 s GLY 336 CO 0.57 -1.81 1.04 -0.45 0.00 0.00 0.00 173.10 172.45 1wd3 s SER 337 N -4.56 7.30 0.00 1.64 0.15 -1.26 -4.81 113.70 112.17 1wd3 s SER 337 Ca 0.51 1.80 0.22 0.00 0.70 0.00 0.00 55.95 59.17 1wd3 s SER 337 Cb -0.04 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.55 1wd3 s SER 337 CO 0.32 -0.29 0.96 0.18 1.20 0.00 0.00 173.24 175.62 1wd3 n LEU 338 N 3.66 1.18 -4.47 3.45 4.77 -1.26 -4.77 117.00 119.55 1wd3 n LEU 338 Ca 0.06 -0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 55.21 1wd3 n LEU 338 Cb 0.49 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 1wd3 n LEU 338 CO 0.53 0.27 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.69 1wd3 s VAL 339 N -2.89 2.87 0.19 4.08 1.01 -1.26 -4.69 120.40 119.71 1wd3 s VAL 339 Ca 0.10 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1wd3 s VAL 339 Cb 0.16 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1wd3 s VAL 339 CO 0.80 0.30 0.39 -0.94 0.00 0.00 0.00 175.10 175.65 1wd3 s SER 340 N -1.57 -0.08 0.00 3.32 1.04 -0.71 -5.02 113.70 110.68 1wd3 s SER 340 Ca 0.16 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1wd3 s SER 340 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1wd3 s SER 340 CO 0.06 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1wd3 n GLY 341 N -0.28 -1.99 0.40 7.32 0.00 -1.26 -2.74 105.19 106.64 1wd3 n GLY 341 Ca -0.07 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 1wd3 n GLY 341 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wd3 h PRO 342 N 0.00 -0.33 0.00 1.61 0.11 -1.91 -3.47 132.00 128.01 1wd3 h PRO 342 Ca 0.00 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.22 1wd3 h PRO 342 Cb 0.00 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1wd3 h PRO 342 CO 0.00 -0.22 -0.11 0.45 -0.21 0.00 0.00 178.00 177.91 1wd3 n SER 343 N -5.41 -3.58 -3.82 -2.05 2.88 -1.26 -5.04 113.62 95.34 1wd3 n SER 343 Ca -0.01 0.33 -0.22 0.00 -1.33 0.00 0.00 58.87 57.64 1wd3 n SER 343 Cb 0.35 -0.92 -0.08 0.00 -0.75 0.00 0.00 64.21 62.81 1wd3 n SER 343 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1wd3 s PHE 344 N -0.67 1.72 -0.05 0.66 0.08 -1.26 -5.13 117.98 113.33 1wd3 s PHE 344 Ca 0.00 -1.44 0.03 0.00 0.12 0.00 0.00 56.93 55.63 1wd3 s PHE 344 Cb 0.00 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1wd3 s PHE 344 CO 0.00 -0.56 -0.13 0.99 -0.10 0.00 0.00 175.22 175.42 1wd3 s THR 345 N -3.40 1.14 0.17 0.64 2.01 -1.26 -5.10 115.64 109.84 1wd3 s THR 345 Ca 0.33 -0.52 -0.34 0.00 0.31 0.00 0.00 61.69 61.47 1wd3 s THR 345 Cb 0.03 -1.02 -0.14 0.00 0.01 0.00 0.00 72.50 71.39 1wd3 s THR 345 CO 0.20 0.35 1.58 -0.24 -0.69 0.00 0.00 174.62 175.81 1wd3 n SER 346 N 3.51 3.15 0.00 3.53 2.88 -1.26 -1.44 113.62 123.99 1wd3 n SER 346 Ca -0.21 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1wd3 n SER 346 Cb 0.53 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1wd3 n SER 346 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wd3 n GLY 347 N 3.36 3.27 3.77 0.46 0.00 0.17 -4.99 105.19 111.23 1wd3 n GLY 347 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1wd3 n GLY 347 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wd3 s GLU 348 N -0.76 4.28 -0.14 1.61 2.12 -0.52 -4.71 118.70 120.59 1wd3 s GLU 348 Ca 0.00 2.32 -0.02 0.00 0.36 0.00 0.00 54.97 57.63 1wd3 s GLU 348 Cb 0.00 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 1wd3 s GLU 348 CO 0.00 -0.29 -0.07 0.08 -0.54 0.00 0.00 175.26 174.44 1wd3 s VAL 349 N -1.13 3.57 0.25 3.70 1.01 -1.26 -0.22 120.40 126.33 1wd3 s VAL 349 Ca 0.50 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1wd3 s VAL 349 Cb -0.42 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1wd3 s VAL 349 CO 0.56 0.51 0.13 0.68 0.00 0.00 0.00 175.10 176.98 1wd3 s VAL 350 N 0.28 0.26 -0.02 2.92 -7.23 0.36 -3.72 120.40 113.26 1wd3 s VAL 350 Ca -0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1wd3 s VAL 350 Cb -0.15 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1wd3 s VAL 350 CO 0.04 0.00 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.24 1wd3 s SER 351 N -3.27 1.73 -0.22 4.85 0.01 -0.82 0.10 113.70 116.09 1wd3 s SER 351 Ca 0.38 -0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 1wd3 s SER 351 Cb 0.07 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1wd3 s SER 351 CO 0.14 0.16 -0.04 -0.76 0.41 0.00 0.00 173.24 173.16 1wd3 s LEU 352 N -0.23 2.91 -0.15 2.44 1.43 -1.26 -1.31 118.68 122.51 1wd3 s LEU 352 Ca 0.03 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1wd3 s LEU 352 Cb -0.07 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1wd3 s LEU 352 CO -0.00 -0.03 0.14 -0.60 0.23 0.00 0.00 176.35 176.09 1wd3 s ARG 353 N 1.47 3.73 0.36 1.70 3.52 -0.42 -0.82 118.95 128.50 1wd3 s ARG 353 Ca 0.06 -0.17 -0.27 0.00 -0.13 0.00 0.00 55.73 55.22 1wd3 s ARG 353 Cb -0.14 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 1wd3 s ARG 353 CO -0.03 0.59 1.28 0.08 -0.81 0.00 0.00 175.30 176.41 1wd3 s VAL 354 N -0.49 2.77 -0.81 7.11 1.01 -0.36 -1.01 120.40 128.63 1wd3 s VAL 354 Ca 0.12 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.92 1wd3 s VAL 354 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1wd3 s VAL 354 CO 0.02 0.14 0.60 0.35 0.00 0.00 0.00 175.10 176.21 1wd3 n THR 355 N 0.48 0.00 -1.98 3.92 -2.24 -1.21 -4.24 114.28 109.01 1wd3 n THR 355 Ca 0.02 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1wd3 n THR 355 Cb 0.43 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1wd3 n THR 355 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wd3 s THR 356 N -1.12 3.40 -0.03 4.28 2.01 -1.26 -4.84 115.64 118.08 1wd3 s THR 356 Ca 0.07 0.62 -0.38 0.00 0.31 0.00 0.00 61.69 62.32 1wd3 s THR 356 Cb 0.07 -3.40 -0.17 0.00 0.01 0.00 0.00 72.50 69.01 1wd3 s THR 356 CO 0.19 -0.04 1.44 -2.65 -0.69 0.00 0.00 174.62 172.88 1wd3 n PRO 357 N 6.59 1.08 -0.05 4.92 -0.02 -1.26 -0.83 135.00 145.43 1wd3 n PRO 357 Ca 0.17 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1wd3 n PRO 357 Cb 0.42 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1wd3 n PRO 357 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wd3 n GLY 358 N 2.95 0.46 0.29 -1.23 0.00 -1.26 -4.84 105.19 101.57 1wd3 n GLY 358 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1wd3 n GLY 358 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wd3 n TYR 359 N -2.00 0.00 0.57 1.61 4.01 -0.01 -4.90 117.16 116.45 1wd3 n TYR 359 Ca 0.00 -0.09 0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1wd3 n TYR 359 Cb 0.00 -0.04 0.29 0.00 -0.31 0.00 0.00 39.34 39.28 1wd3 n TYR 359 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wd3 n THR 360 N -0.12 0.53 0.01 -0.72 -2.24 -1.18 -1.97 114.28 108.58 1wd3 n THR 360 Ca 0.01 0.13 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1wd3 n THR 360 Cb 0.61 -0.95 0.20 0.00 -2.10 0.00 0.00 70.33 68.09 1wd3 n THR 360 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wd3 n THR 361 N -1.21 0.71 -3.82 4.28 -2.24 -1.26 -4.69 114.28 106.05 1wd3 n THR 361 Ca 0.06 -0.86 -0.31 0.00 -2.27 0.00 0.00 64.05 60.67 1wd3 n THR 361 Cb 0.07 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1wd3 n THR 361 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1wd3 s ARG 362 N -1.15 3.51 0.14 -0.78 0.52 -0.83 -3.65 118.95 116.71 1wd3 s ARG 362 Ca 0.33 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 1wd3 s ARG 362 Cb 0.19 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1wd3 s ARG 362 CO 0.25 0.55 -0.14 0.71 0.02 0.00 0.00 175.30 176.69 1wd3 s TYR 363 N -1.57 1.47 -0.12 -0.53 2.02 0.82 -1.22 117.35 118.22 1wd3 s TYR 363 Ca 0.37 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 1wd3 s TYR 363 Cb -0.13 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1wd3 s TYR 363 CO 0.27 0.19 1.34 0.42 -1.57 0.00 0.00 175.55 176.20 1wd3 s ILE 364 N -2.47 4.09 0.00 2.71 1.01 -0.00 -0.71 121.20 125.83 1wd3 s ILE 364 Ca 0.13 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1wd3 s ILE 364 Cb -0.03 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1wd3 s ILE 364 CO 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 174.94 174.88 1wd3 n ALA 365 N 6.43 0.00 -3.46 9.38 0.00 0.12 -4.48 120.51 128.49 1wd3 n ALA 365 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1wd3 n ALA 365 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 1wd3 n ALA 365 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1wd3 s HIS 366 N -1.06 -0.57 -0.34 0.00 -3.43 -1.19 -0.96 115.29 107.74 1wd3 s HIS 366 Ca 0.00 1.13 0.03 0.00 -0.80 0.00 0.00 55.06 55.42 1wd3 s HIS 366 Cb 0.00 0.29 0.09 0.00 -1.43 0.00 0.00 32.58 31.53 1wd3 s HIS 366 CO 0.00 -0.47 0.04 0.99 -2.00 0.00 0.00 174.74 173.30 1wd3 s THR 367 N -0.71 2.41 0.00 -5.38 2.01 0.26 -4.94 115.64 109.29 1wd3 s THR 367 Ca -0.08 -2.18 0.00 0.00 0.31 0.00 0.00 61.69 59.74 1wd3 s THR 367 Cb -0.02 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1wd3 s THR 367 CO 0.06 -0.51 0.00 0.47 -0.69 0.00 0.00 174.62 173.95 1wd3 n ASP 368 N 4.33 0.00 -0.15 3.53 8.00 -1.26 -1.63 116.55 129.37 1wd3 n ASP 368 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1wd3 n ASP 368 Cb 0.42 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 42.01 1wd3 n ASP 368 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wd3 n THR 369 N 0.00 0.00 -2.91 -3.53 -2.24 -1.26 -4.70 114.28 99.64 1wd3 n THR 369 Ca 0.00 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1wd3 n THR 369 Cb 0.00 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1wd3 n THR 369 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wd3 s THR 370 N -2.55 4.86 -0.11 4.28 2.01 -0.65 -0.41 115.64 123.07 1wd3 s THR 370 Ca 0.25 1.55 -0.22 0.00 0.31 0.00 0.00 61.69 63.58 1wd3 s THR 370 Cb 0.19 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1wd3 s THR 370 CO 0.51 -0.03 0.66 -0.69 -0.69 0.00 0.00 174.62 174.38 1wd3 s VAL 371 N 2.61 5.05 0.00 3.82 1.01 -0.99 -0.57 120.40 131.33 1wd3 s VAL 371 Ca 0.35 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1wd3 s VAL 371 Cb -0.16 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1wd3 s VAL 371 CO 0.09 0.21 0.00 -0.46 0.00 0.00 0.00 175.10 174.94 1wd3 n ASN 372 N 4.17 0.00 -4.30 3.32 0.23 -0.14 -1.24 115.26 117.30 1wd3 n ASN 372 Ca -0.02 -0.87 -0.31 0.00 -0.53 0.00 0.00 54.58 52.85 1wd3 n ASN 372 Cb 0.51 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.05 1wd3 n ASN 372 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1wd3 s THR 373 N -2.27 2.07 0.03 5.53 -4.23 -0.60 0.14 115.64 116.32 1wd3 s THR 373 Ca 0.00 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1wd3 s THR 373 Cb 0.00 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 1wd3 s THR 373 CO 0.00 0.58 0.06 -1.10 -0.54 0.00 0.00 174.62 173.62 1wd3 s GLN 374 N -0.49 0.54 -0.44 3.99 -0.21 0.11 -4.86 119.66 118.30 1wd3 s GLN 374 Ca 0.06 -0.77 -0.29 0.00 0.02 0.00 0.00 55.36 54.38 1wd3 s GLN 374 Cb -0.11 0.21 0.02 0.00 1.00 0.00 0.00 33.01 34.13 1wd3 s GLN 374 CO 0.00 -0.12 1.25 0.08 -2.12 0.00 0.00 175.29 174.37 1wd3 s VAL 375 N -2.52 4.10 -0.04 1.09 1.01 -1.26 -0.13 120.40 122.65 1wd3 s VAL 375 Ca -0.06 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1wd3 s VAL 375 Cb -0.02 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1wd3 s VAL 375 CO -0.04 -0.86 -0.18 -0.69 0.00 0.00 0.00 175.10 173.32 1wd3 s VAL 376 N 4.77 1.53 0.07 2.92 1.01 -1.24 -4.98 120.40 124.49 1wd3 s VAL 376 Ca 0.53 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1wd3 s VAL 376 Cb -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1wd3 s VAL 376 CO 0.31 0.44 0.10 -0.90 0.00 0.00 0.00 175.10 175.05 1wd3 n ASP 377 N 3.09 -0.29 0.24 3.32 5.68 -1.26 -4.89 116.55 122.44 1wd3 n ASP 377 Ca -0.18 -1.40 0.16 0.00 -0.50 0.00 0.00 54.79 52.87 1wd3 n ASP 377 Cb 0.53 0.54 0.85 0.00 -1.14 0.00 0.00 41.12 41.90 1wd3 n ASP 377 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1wd3 h ASP 378 N 0.42 0.00 0.51 -1.12 3.32 -2.00 -1.18 116.42 116.37 1wd3 h ASP 378 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1wd3 h ASP 378 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wd3 h ASP 378 CO 0.08 0.00 -0.09 0.47 -1.72 0.00 0.00 179.24 177.98 1wd3 n ASP 379 N -3.89 0.27 -4.73 6.45 8.00 -1.26 -4.92 116.55 116.48 1wd3 n ASP 379 Ca -0.00 -0.29 -0.34 0.00 0.71 0.00 0.00 54.79 54.87 1wd3 n ASP 379 Cb 0.22 -0.17 0.09 0.00 -0.02 0.00 0.00 41.12 41.24 1wd3 n ASP 379 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wd3 s SER 380 N -2.61 4.34 0.85 -2.24 0.01 -0.45 -4.98 113.70 108.63 1wd3 s SER 380 Ca 0.26 2.34 -0.10 0.00 1.31 0.00 0.00 55.95 59.75 1wd3 s SER 380 Cb 0.20 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.95 1wd3 s SER 380 CO 0.49 -2.16 1.11 -0.94 0.41 0.00 0.00 173.24 172.15 1wd3 s SER 381 N -2.03 3.64 0.37 2.44 1.04 -1.26 -4.77 113.70 113.14 1wd3 s SER 381 Ca 0.74 1.94 0.05 0.00 0.48 0.00 0.00 55.95 59.16 1wd3 s SER 381 Cb -0.29 -2.51 0.73 0.00 0.10 0.00 0.00 66.02 64.06 1wd3 s SER 381 CO 0.44 -2.60 2.01 0.71 0.98 0.00 0.00 173.24 174.77 1wd3 h THR 382 N -1.52 1.14 -0.12 2.02 1.35 -1.98 -0.92 112.91 112.88 1wd3 h THR 382 Ca -0.44 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 1wd3 h THR 382 Cb 1.25 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1wd3 h THR 382 CO 0.47 0.15 0.02 0.74 -0.25 0.00 0.00 175.52 176.66 1wd3 h THR 383 N 0.65 1.22 -0.40 6.82 2.02 -2.00 -2.29 112.91 118.93 1wd3 h THR 383 Ca 0.17 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 1wd3 h THR 383 Cb 0.01 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1wd3 h THR 383 CO -0.03 0.20 -0.11 0.25 0.37 0.00 0.00 175.52 176.20 1wd3 h LEU 384 N -0.04 0.69 -1.16 2.58 5.85 -1.82 -1.56 115.31 119.85 1wd3 h LEU 384 Ca 0.04 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1wd3 h LEU 384 Cb 0.29 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1wd3 h LEU 384 CO 0.00 0.83 0.46 0.11 -0.34 0.00 0.00 178.44 179.50 1wd3 h LYS 385 N 0.64 1.03 -0.13 1.25 1.57 -1.07 -1.61 116.57 118.25 1wd3 h LYS 385 Ca 0.11 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1wd3 h LYS 385 Cb 0.56 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1wd3 h LYS 385 CO 0.03 0.72 -0.59 0.93 -0.57 0.00 0.00 179.45 179.97 1wd3 h GLU 386 N 1.05 0.44 0.00 3.15 5.08 -0.96 -2.75 114.58 120.58 1wd3 h GLU 386 Ca 0.27 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wd3 h GLU 386 Cb -0.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wd3 h GLU 386 CO -0.05 0.90 0.00 0.93 -1.00 0.00 0.00 179.01 179.79 1wd3 h GLU 387 N 0.33 0.00 -0.40 2.33 5.08 -0.58 -2.14 114.58 119.20 1wd3 h GLU 387 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wd3 h GLU 387 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1wd3 h GLU 387 CO 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1wd3 n ALA 388 N -1.84 2.78 -2.33 3.43 0.00 -0.67 -3.16 120.51 118.72 1wd3 n ALA 388 Ca 0.02 -1.74 -0.31 0.00 0.00 0.00 0.00 53.44 51.41 1wd3 n ALA 388 Cb 0.27 -0.71 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 1wd3 n ALA 388 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wd3 s SER 389 N -1.33 3.11 -0.03 0.00 0.01 -0.80 -4.41 113.70 110.24 1wd3 s SER 389 Ca 0.39 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1wd3 s SER 389 Cb 0.27 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1wd3 s SER 389 CO 0.15 0.32 -0.04 0.26 0.41 0.00 0.00 173.24 174.34 1wd3 s TRP 390 N -0.60 0.62 -0.31 2.43 0.52 0.12 -2.98 118.94 118.73 1wd3 s TRP 390 Ca 0.10 -0.14 -0.22 0.00 0.02 0.00 0.00 56.10 55.86 1wd3 s TRP 390 Cb -0.10 -0.54 -0.00 0.00 -1.15 0.00 0.00 33.47 31.68 1wd3 s TRP 390 CO -0.01 -0.13 0.71 0.99 0.02 0.00 0.00 176.95 178.53 1wd3 s THR 391 N 0.66 4.86 -0.23 2.01 2.01 0.24 -0.49 115.64 124.70 1wd3 s THR 391 Ca -0.08 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 62.68 1wd3 s THR 391 Cb -0.11 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1wd3 s THR 391 CO -0.00 -0.21 0.76 -0.69 -0.69 0.00 0.00 174.62 173.79 1wd3 s VAL 392 N 2.79 4.90 0.30 3.82 1.01 0.70 -1.05 120.40 132.86 1wd3 s VAL 392 Ca 0.29 1.42 0.09 0.00 0.00 0.00 0.00 61.98 63.78 1wd3 s VAL 392 Cb -0.14 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1wd3 s VAL 392 CO 0.12 -0.01 -0.11 0.68 0.00 0.00 0.00 175.10 175.78 1wd3 s VAL 393 N 2.57 2.06 0.19 2.92 -7.23 -0.52 0.44 120.40 120.83 1wd3 s VAL 393 Ca 0.32 -2.22 -0.33 0.00 -1.81 0.00 0.00 61.98 57.94 1wd3 s VAL 393 Cb -0.16 -2.47 -0.14 0.00 0.56 0.00 0.00 36.38 34.17 1wd3 s VAL 393 CO 0.09 -0.30 1.40 0.41 -0.31 0.00 0.00 175.10 176.38 1wd3 n THR 394 N -0.66 0.58 -1.61 5.32 -1.04 -1.26 -1.23 114.28 114.38 1wd3 n THR 394 Ca -0.05 -0.15 -0.57 0.00 -2.04 0.00 0.00 64.05 61.24 1wd3 n THR 394 Cb 0.62 -1.30 -0.07 0.00 -1.82 0.00 0.00 70.33 67.76 1wd3 n THR 394 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wd3 n GLY 395 N 2.49 0.35 0.22 3.41 0.00 0.16 -4.36 105.19 107.47 1wd3 n GLY 395 Ca 0.14 0.80 0.04 0.00 0.00 0.00 0.00 46.02 47.00 1wd3 n GLY 395 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wd3 h LEU 396 N 4.82 0.07 0.00 0.99 3.38 -1.83 -3.12 115.31 119.61 1wd3 h LEU 396 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1wd3 h LEU 396 Cb 1.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1wd3 h LEU 396 CO 0.81 0.27 -0.75 0.00 0.09 0.00 0.00 178.44 178.86 1wd3 n ALA 397 N -2.50 3.40 -3.60 1.53 0.00 -1.24 -4.88 120.51 113.22 1wd3 n ALA 397 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1wd3 n ALA 397 Cb 0.28 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 1wd3 n ALA 397 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wd3 s ASN 398 N -2.38 -0.74 0.54 0.00 3.84 -1.18 -5.00 114.94 110.03 1wd3 s ASN 398 Ca 0.03 1.23 0.35 0.00 0.21 0.00 0.00 52.86 54.68 1wd3 s ASN 398 Cb 0.09 1.86 1.92 0.00 -0.55 0.00 0.00 41.25 44.57 1wd3 s ASN 398 CO 0.51 -0.23 2.08 0.77 -2.79 0.00 0.00 177.10 177.43 1wd3 h SER 399 N 8.08 0.00 0.64 -4.21 4.64 -1.93 -1.99 113.55 118.78 1wd3 h SER 399 Ca -0.17 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.90 1wd3 h SER 399 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wd3 h SER 399 CO 0.13 0.00 -1.13 1.56 -0.87 0.00 0.00 176.83 176.52 1wd3 h GLN 400 N 0.00 0.24 0.00 4.77 4.20 -1.96 -3.41 115.11 118.95 1wd3 h GLN 400 Ca 0.00 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1wd3 h GLN 400 Cb 0.05 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1wd3 h GLN 400 CO 0.00 1.14 0.00 0.00 -0.67 0.00 0.00 178.83 179.30 1wd3 s PHE 402 N 0.94 1.02 0.07 0.00 0.08 -0.16 -0.67 117.98 119.27 1wd3 s PHE 402 Ca 0.00 -1.29 0.04 0.00 0.12 0.00 0.00 56.93 55.80 1wd3 s PHE 402 Cb 0.00 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 41.93 1wd3 s PHE 402 CO 0.00 -0.63 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.25 1wd3 s SER 403 N -3.12 1.48 -0.27 1.36 0.01 -0.36 -0.84 113.70 111.96 1wd3 s SER 403 Ca 0.34 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 1wd3 s SER 403 Cb 0.07 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.32 1wd3 s SER 403 CO 0.09 -0.15 -0.05 -0.36 0.41 0.00 0.00 173.24 173.18 1wd3 s PHE 404 N -1.61 3.17 -0.08 2.43 0.08 -1.26 -1.44 117.98 119.26 1wd3 s PHE 404 Ca -0.01 -1.83 -0.13 0.00 0.12 0.00 0.00 56.93 55.07 1wd3 s PHE 404 Cb -0.08 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.28 1wd3 s PHE 404 CO 0.01 -0.79 0.33 -2.00 -0.10 0.00 0.00 175.22 172.67 1wd3 s GLU 405 N 1.25 3.98 0.37 0.44 2.12 -0.22 -1.46 118.70 125.19 1wd3 s GLU 405 Ca -0.03 0.22 -0.27 0.00 0.36 0.00 0.00 54.97 55.24 1wd3 s GLU 405 Cb -0.18 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 30.82 1wd3 s GLU 405 CO -0.04 0.52 1.27 0.45 -0.54 0.00 0.00 175.26 176.92 1wd3 s SER 406 N -0.43 6.54 0.02 -1.70 0.15 -0.35 -0.59 113.70 117.34 1wd3 s SER 406 Ca 0.20 2.60 -0.15 0.00 0.70 0.00 0.00 55.95 59.30 1wd3 s SER 406 Cb -0.15 -2.64 -0.35 0.00 -1.71 0.00 0.00 66.02 61.18 1wd3 s SER 406 CO 0.08 -0.68 0.94 0.58 1.20 0.00 0.00 173.24 175.36 1wd3 h VAL 407 N 2.67 1.23 0.00 4.45 2.07 -1.66 -3.16 116.25 121.85 1wd3 h VAL 407 Ca -0.49 -2.67 -0.15 0.00 0.82 0.00 0.00 66.70 64.22 1wd3 h VAL 407 Cb 1.24 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.99 1wd3 h VAL 407 CO 0.64 0.81 -0.71 -2.24 0.02 0.00 0.00 177.57 176.09 1wd3 h ASP 408 N 0.13 0.00 -2.53 0.57 2.03 -1.85 -3.37 116.42 111.40 1wd3 h ASP 408 Ca -0.27 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.43 1wd3 h ASP 408 Cb 2.15 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 40.24 1wd3 h ASP 408 CO 0.26 0.71 -0.66 0.41 -1.03 0.00 0.00 179.24 178.93 1wd3 n THR 409 N -3.55 1.57 -1.67 1.15 -1.04 -1.25 -5.10 114.28 104.40 1wd3 n THR 409 Ca -0.00 -4.86 -0.40 0.00 -2.04 0.00 0.00 64.05 56.75 1wd3 n THR 409 Cb 0.73 -2.09 0.02 0.00 -1.82 0.00 0.00 70.33 67.17 1wd3 n THR 409 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1wd3 n PRO 410 N 1.46 1.58 0.00 -2.82 -0.02 -1.19 -2.25 135.00 131.76 1wd3 n PRO 410 Ca 0.25 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1wd3 n PRO 410 Cb 0.40 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1wd3 n PRO 410 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wd3 n GLY 411 N 0.97 1.75 3.61 -1.23 0.00 -1.26 -5.02 105.19 104.00 1wd3 n GLY 411 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1wd3 n GLY 411 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wd3 s SER 412 N -1.95 4.74 0.20 1.61 0.01 -0.96 -1.33 113.70 116.02 1wd3 s SER 412 Ca 0.00 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.27 1wd3 s SER 412 Cb 0.00 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 1wd3 s SER 412 CO 0.00 0.33 -0.09 -0.31 0.41 0.00 0.00 173.24 173.58 1wd3 s TYR 413 N -0.91 1.56 0.06 2.43 2.02 -0.17 -1.22 117.35 121.12 1wd3 s TYR 413 Ca 0.15 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.82 1wd3 s TYR 413 Cb -0.11 -0.81 -0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1wd3 s TYR 413 CO 0.05 0.17 1.16 0.42 -1.57 0.00 0.00 175.55 175.78 1wd3 s ILE 414 N -3.19 4.14 0.01 2.71 1.01 -0.53 -2.19 121.20 123.15 1wd3 s ILE 414 Ca 0.23 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 1wd3 s ILE 414 Cb 0.02 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1wd3 s ILE 414 CO 0.06 0.13 0.17 0.00 0.00 0.00 0.00 174.94 175.30 1wd3 s ARG 415 N 0.96 0.54 0.04 2.79 1.04 0.39 -4.42 118.95 120.29 1wd3 s ARG 415 Ca 0.57 -0.40 -0.10 0.00 -1.04 0.00 0.00 55.73 54.76 1wd3 s ARG 415 Cb -0.28 0.23 -0.05 0.00 -2.04 0.00 0.00 34.95 32.80 1wd3 s ARG 415 CO 0.29 -0.14 0.36 -3.38 -0.04 0.00 0.00 175.30 172.39 1wd3 s HIS 416 N -1.53 3.61 -0.19 5.89 -3.43 -0.56 -0.10 115.29 118.97 1wd3 s HIS 416 Ca -0.13 0.76 -0.05 0.00 -0.80 0.00 0.00 55.06 54.83 1wd3 s HIS 416 Cb -0.06 -2.13 0.09 0.00 -1.43 0.00 0.00 32.58 29.05 1wd3 s HIS 416 CO 0.01 0.58 0.36 -0.47 -2.00 0.00 0.00 174.74 173.22 1wd3 s TYR 417 N -1.30 -0.69 -1.62 0.38 5.04 -0.21 -4.78 117.35 114.17 1wd3 s TYR 417 Ca 0.29 1.18 -0.02 0.00 -2.44 0.00 0.00 57.07 56.08 1wd3 s TYR 417 Cb -0.14 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1wd3 s TYR 417 CO 0.16 -0.51 0.23 0.09 -1.34 0.00 0.00 175.55 174.18 1wd3 n ASN 418 N 5.37 -5.71 -0.16 4.32 3.02 -1.26 -1.54 115.26 119.30 1wd3 n ASN 418 Ca -0.07 -0.10 -0.02 0.00 -0.03 0.00 0.00 54.58 54.36 1wd3 n ASN 418 Cb 0.50 -4.71 -0.01 0.00 -0.61 0.00 0.00 39.78 34.95 1wd3 n ASN 418 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wd3 n PHE 419 N -4.12 0.00 -3.96 3.10 3.72 -1.26 -5.00 117.46 109.94 1wd3 n PHE 419 Ca -0.18 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.86 1wd3 n PHE 419 Cb 0.65 -1.51 -0.06 0.00 -0.94 0.00 0.00 39.48 37.62 1wd3 n PHE 419 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1wd3 s GLU 420 N -1.61 3.36 -0.19 -1.08 2.02 -0.59 -0.66 118.70 119.96 1wd3 s GLU 420 Ca 0.00 -0.23 -0.23 0.00 0.02 0.00 0.00 54.97 54.53 1wd3 s GLU 420 Cb 0.00 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 1wd3 s GLU 420 CO 0.00 0.74 0.72 -0.51 0.02 0.00 0.00 175.26 176.23 1wd3 s LEU 421 N -1.27 4.15 0.21 1.80 1.43 -0.60 -1.04 118.68 123.36 1wd3 s LEU 421 Ca 0.18 0.98 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 1wd3 s LEU 421 Cb -0.12 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 1wd3 s LEU 421 CO 0.08 -0.34 -0.17 -0.76 0.23 0.00 0.00 176.35 175.39 1wd3 s LEU 422 N 2.06 2.52 -0.44 1.79 1.43 0.85 -2.34 118.68 124.56 1wd3 s LEU 422 Ca 0.33 -0.97 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1wd3 s LEU 422 Cb -0.16 -0.84 0.10 0.00 0.03 0.00 0.00 46.19 45.32 1wd3 s LEU 422 CO 0.11 -0.07 0.30 -0.22 0.23 0.00 0.00 176.35 176.70 1wd3 s LEU 423 N -3.13 5.41 0.20 1.79 2.96 0.45 -0.46 118.68 125.90 1wd3 s LEU 423 Ca 0.22 -1.73 0.09 0.00 -0.22 0.00 0.00 54.13 52.49 1wd3 s LEU 423 Cb -0.04 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1wd3 s LEU 423 CO 0.09 -0.61 -0.17 0.20 -1.32 0.00 0.00 176.35 174.53 1wd3 s ASN 424 N 2.36 2.82 0.26 3.68 0.01 -0.93 -4.51 114.94 118.64 1wd3 s ASN 424 Ca 0.05 -0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 50.95 1wd3 s ASN 424 Cb -0.25 -0.18 -0.09 0.00 0.41 0.00 0.00 41.25 41.14 1wd3 s ASN 424 CO 0.00 -0.07 1.20 0.00 -1.51 0.00 0.00 177.10 176.72 1wd3 s ALA 425 N -2.49 3.45 -0.11 0.60 0.00 -1.26 -1.00 121.76 120.95 1wd3 s ALA 425 Ca 0.21 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 1wd3 s ALA 425 Cb -0.04 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1wd3 s ALA 425 CO 0.08 -0.37 1.42 1.21 0.00 0.00 0.00 175.76 178.11 1wd3 s ASN 426 N -0.44 6.83 0.00 0.00 2.47 -0.44 -4.87 114.94 118.49 1wd3 s ASN 426 Ca 0.49 1.93 0.23 0.00 0.42 0.00 0.00 52.86 55.93 1wd3 s ASN 426 Cb -0.35 -2.54 0.59 0.00 -1.45 0.00 0.00 41.25 37.51 1wd3 s ASN 426 CO 0.43 -0.82 1.48 -0.90 -3.72 0.00 0.00 177.10 173.57 1wd3 n ASP 427 N 6.67 2.46 0.00 -4.21 5.68 -1.26 -4.94 116.55 120.94 1wd3 n ASP 427 Ca 0.15 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1wd3 n ASP 427 Cb 0.44 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1wd3 n ASP 427 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wd3 n GLY 428 N 1.30 0.59 3.87 6.12 0.00 -1.26 -5.01 105.19 110.80 1wd3 n GLY 428 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1wd3 n GLY 428 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wd3 s THR 429 N -2.59 4.76 0.23 2.61 -4.23 -1.26 -4.97 115.64 110.18 1wd3 s THR 429 Ca 0.00 0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 1wd3 s THR 429 Cb 0.00 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 70.32 1wd3 s THR 429 CO 0.00 -0.44 1.82 0.50 -0.54 0.00 0.00 174.62 175.96 1wd3 h LYS 430 N 1.49 0.77 -0.38 3.99 3.64 -1.99 -1.59 116.57 122.49 1wd3 h LYS 430 Ca -0.47 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1wd3 h LYS 430 Cb 1.18 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1wd3 h LYS 430 CO 0.64 0.51 0.24 0.37 -2.27 0.00 0.00 179.45 178.93 1wd3 h GLN 431 N 0.79 0.47 -0.29 1.90 5.75 -1.99 -0.87 115.11 120.87 1wd3 h GLN 431 Ca 0.34 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.81 1wd3 h GLN 431 Cb 0.22 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1wd3 h GLN 431 CO -0.19 0.31 0.16 0.35 -2.65 0.00 0.00 178.83 176.81 1wd3 h PHE 432 N 0.48 0.39 -0.70 3.99 3.57 -1.84 -1.11 116.94 121.73 1wd3 h PHE 432 Ca 0.15 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.75 1wd3 h PHE 432 Cb -0.02 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.52 1wd3 h PHE 432 CO -0.06 0.32 0.31 0.45 -2.23 0.00 0.00 178.31 177.09 1wd3 h HIS 433 N 0.35 0.54 -0.33 0.41 3.86 -0.90 0.22 115.15 119.30 1wd3 h HIS 433 Ca 0.10 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 1wd3 h HIS 433 Cb 0.05 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1wd3 h HIS 433 CO -0.03 0.14 -0.39 0.93 0.86 0.00 0.00 177.93 179.44 1wd3 h GLU 434 N 0.50 0.78 0.00 2.45 5.08 -0.84 -2.66 114.58 119.89 1wd3 h GLU 434 Ca 0.36 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wd3 h GLU 434 Cb 0.46 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wd3 h GLU 434 CO -0.32 1.03 0.00 -0.44 -1.00 0.00 0.00 179.01 178.28 1wd3 h ASP 435 N 0.64 0.00 -0.39 1.42 3.32 -0.34 -3.13 116.42 117.93 1wd3 h ASP 435 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1wd3 h ASP 435 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1wd3 h ASP 435 CO 0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1wd3 n ALA 436 N -2.04 2.76 -3.15 3.45 0.00 -0.02 -1.50 120.51 120.01 1wd3 n ALA 436 Ca 0.01 -1.73 -0.34 0.00 0.00 0.00 0.00 53.44 51.38 1wd3 n ALA 436 Cb 0.30 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 1wd3 n ALA 436 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wd3 s THR 437 N -1.96 3.43 0.01 0.00 2.01 -1.04 -4.36 115.64 113.73 1wd3 s THR 437 Ca 0.38 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1wd3 s THR 437 Cb 0.26 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 1wd3 s THR 437 CO 0.15 0.49 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.08 1wd3 s PHE 438 N 0.66 1.16 -0.23 4.92 0.08 -0.02 -1.49 117.98 123.06 1wd3 s PHE 438 Ca -0.04 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 1wd3 s PHE 438 Cb -0.15 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1wd3 s PHE 438 CO 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 175.22 175.15 1wd3 s PRO 440 N 1.50 4.16 -0.00 0.00 0.02 -1.26 -1.43 135.00 137.99 1wd3 s PRO 440 Ca 0.06 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.59 1wd3 s PRO 440 Cb -0.15 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 1wd3 s PRO 440 CO -0.00 -0.51 -0.04 -1.14 -0.33 0.00 0.00 177.00 174.97 1wd3 s GLN 441 N -1.33 0.36 -0.11 5.54 0.74 0.74 -1.74 119.66 123.85 1wd3 s GLN 441 Ca 0.57 -0.19 -0.39 0.00 0.05 0.00 0.00 55.36 55.40 1wd3 s GLN 441 Cb -0.46 -0.33 -0.16 0.00 1.10 0.00 0.00 33.01 33.16 1wd3 s GLN 441 CO 0.55 0.09 1.56 0.00 -0.55 0.00 0.00 175.29 176.93 1wd3 n ALA 442 N 2.89 -0.57 -1.50 1.58 0.00 -1.11 -0.17 120.51 121.63 1wd3 n ALA 442 Ca -0.13 0.45 -0.52 0.00 0.00 0.00 0.00 53.44 53.24 1wd3 n ALA 442 Cb 0.58 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.83 1wd3 n ALA 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wd3 n ALA 443 N 4.07 -2.30 0.24 0.00 0.00 -0.90 -4.56 120.51 117.06 1wd3 n ALA 443 Ca 0.23 0.50 0.08 0.00 0.00 0.00 0.00 53.44 54.25 1wd3 n ALA 443 Cb 0.16 -1.82 0.61 0.00 0.00 0.00 0.00 19.45 18.39 1wd3 n ALA 443 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wd3 h LEU 444 N 2.58 0.00 -2.67 0.00 3.38 -1.85 -1.24 115.31 115.50 1wd3 h LEU 444 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1wd3 h LEU 444 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1wd3 h LEU 444 CO 0.65 0.14 0.00 -0.46 0.09 0.00 0.00 178.44 178.86 1wd3 n ASN 445 N -4.11 3.90 0.00 -0.43 6.94 -1.26 -4.65 115.26 115.65 1wd3 n ASN 445 Ca -0.02 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1wd3 n ASN 445 Cb 0.22 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 1wd3 n ASN 445 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wd3 n GLY 446 N 1.66 1.32 3.23 4.83 0.00 -0.47 -4.98 105.19 110.78 1wd3 n GLY 446 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1wd3 n GLY 446 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wd3 s GLU 447 N -0.03 2.97 4.69 1.61 2.02 -1.26 -4.88 118.70 123.82 1wd3 s GLU 447 Ca 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 52.77 1wd3 s GLU 447 Cb 0.00 -4.10 0.00 0.00 0.10 0.00 0.00 34.13 30.13 1wd3 s GLU 447 CO 0.00 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.45 1wd3 n GLY 448 N 4.22 0.75 3.26 -1.39 0.00 -1.26 -3.67 105.19 107.10 1wd3 n GLY 448 Ca 0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 1wd3 n GLY 448 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wd3 s THR 449 N 0.00 1.28 -0.12 2.61 -1.32 0.34 -2.12 115.64 116.32 1wd3 s THR 449 Ca 0.00 -1.99 0.02 0.00 -1.21 0.00 0.00 61.69 58.51 1wd3 s THR 449 Cb 0.00 -1.78 0.01 0.00 -1.51 0.00 0.00 72.50 69.22 1wd3 s THR 449 CO 0.00 -0.64 -0.18 -0.44 -2.21 0.00 0.00 174.62 171.15 1wd3 s SER 450 N -3.00 2.66 -0.49 8.08 0.01 0.76 -0.61 113.70 121.11 1wd3 s SER 450 Ca 0.15 -0.48 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 1wd3 s SER 450 Cb 0.00 -1.21 0.06 0.00 0.21 0.00 0.00 66.02 65.09 1wd3 s SER 450 CO 0.02 0.04 0.53 -0.76 0.41 0.00 0.00 173.24 173.48 1wd3 s LEU 451 N 0.91 5.20 0.01 2.44 1.43 -1.26 -0.19 118.68 127.22 1wd3 s LEU 451 Ca -0.07 -1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 51.77 1wd3 s LEU 451 Cb -0.15 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1wd3 s LEU 451 CO -0.01 -0.78 0.64 -0.60 0.23 0.00 0.00 176.35 175.82 1wd3 s ARG 452 N 2.24 4.36 0.20 1.70 3.52 -0.51 -1.14 118.95 129.31 1wd3 s ARG 452 Ca 0.11 0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 56.22 1wd3 s ARG 452 Cb -0.21 -3.34 -0.10 0.00 -1.56 0.00 0.00 34.95 29.74 1wd3 s ARG 452 CO 0.10 0.36 1.45 0.45 -0.81 0.00 0.00 175.30 176.85 1wd3 s SER 453 N -0.20 6.69 0.08 -2.12 0.15 0.05 0.48 113.70 118.83 1wd3 s SER 453 Ca 0.33 2.58 -0.16 0.00 0.70 0.00 0.00 55.95 59.40 1wd3 s SER 453 Cb -0.19 -2.61 -0.13 0.00 -1.71 0.00 0.00 66.02 61.39 1wd3 s SER 453 CO 0.19 -0.70 1.34 -0.25 1.20 0.00 0.00 173.24 175.01 1wd3 h TRP 454 N 5.73 0.82 0.00 3.44 7.01 -1.55 -2.79 115.95 128.60 1wd3 h TRP 454 Ca -0.44 -0.30 -0.13 0.00 2.11 0.00 0.00 58.89 60.13 1wd3 h TRP 454 Cb 1.21 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.10 1wd3 h TRP 454 CO 0.62 1.06 -0.63 0.66 -2.79 0.00 0.00 178.44 177.37 1wd3 h SER 455 N 0.34 0.00 -2.45 2.65 4.64 -1.77 -3.36 113.55 113.59 1wd3 h SER 455 Ca 0.01 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1wd3 h SER 455 Cb 1.02 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 1wd3 h SER 455 CO 0.09 0.63 -0.81 -1.22 -0.87 0.00 0.00 176.83 174.65 1wd3 n TYR 456 N -3.45 1.31 0.00 4.77 4.01 -1.24 -4.48 117.16 118.08 1wd3 n TYR 456 Ca 0.00 -3.82 0.00 0.00 -0.16 0.00 0.00 57.90 53.92 1wd3 n TYR 456 Cb 0.71 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1wd3 n TYR 456 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1wd3 n PRO 457 N 1.88 0.00 0.00 -0.72 -0.04 -1.05 -0.50 135.00 134.56 1wd3 n PRO 457 Ca 0.25 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 64.21 1wd3 n PRO 457 Cb 0.44 -1.54 0.52 0.00 -0.04 0.00 0.00 33.50 32.88 1wd3 n PRO 457 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wd3 n THR 458 N -1.35 0.00 -4.48 0.52 -2.24 -1.26 -4.80 114.28 100.66 1wd3 n THR 458 Ca 0.00 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1wd3 n THR 458 Cb 0.04 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.21 1wd3 n THR 458 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1wd3 s ARG 459 N -2.54 1.93 0.13 -0.78 0.52 0.34 -4.11 118.95 114.45 1wd3 s ARG 459 Ca 0.26 -1.08 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1wd3 s ARG 459 Cb 0.20 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1wd3 s ARG 459 CO 0.51 0.51 -0.04 0.71 0.02 0.00 0.00 175.30 177.01 1wd3 s TYR 460 N -1.04 1.02 0.17 -0.53 2.02 0.19 -0.77 117.35 118.41 1wd3 s TYR 460 Ca 0.16 -0.96 -0.33 0.00 -0.37 0.00 0.00 57.07 55.57 1wd3 s TYR 460 Cb -0.11 -0.58 -0.13 0.00 -0.40 0.00 0.00 41.96 40.74 1wd3 s TYR 460 CO 0.08 -0.18 1.65 1.19 -1.57 0.00 0.00 175.55 176.72 1wd3 n PHE 461 N -0.12 2.45 -3.68 2.71 3.01 -0.29 -1.09 117.46 120.45 1wd3 n PHE 461 Ca -0.10 0.16 -0.10 0.00 1.01 0.00 0.00 57.45 58.42 1wd3 n PHE 461 Cb 0.62 -2.60 -0.11 0.00 -0.01 0.00 0.00 39.48 37.38 1wd3 n PHE 461 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1wd3 s ARG 462 N 1.19 0.30 -0.05 -1.08 3.00 0.21 -4.29 118.95 118.24 1wd3 s ARG 462 Ca 0.78 0.85 -0.17 0.00 -1.00 0.00 0.00 55.73 56.19 1wd3 s ARG 462 Cb -0.61 0.10 -0.05 0.00 0.00 0.00 0.00 34.95 34.39 1wd3 s ARG 462 CO 0.36 -0.22 0.47 -3.38 0.00 0.00 0.00 175.30 172.54 1wd3 s HIS 463 N 2.04 3.63 -0.08 5.12 -3.43 -1.08 -0.50 115.29 120.99 1wd3 s HIS 463 Ca -0.05 0.98 -0.03 0.00 -0.80 0.00 0.00 55.06 55.17 1wd3 s HIS 463 Cb -0.11 -2.46 0.04 0.00 -1.43 0.00 0.00 32.58 28.63 1wd3 s HIS 463 CO -0.12 0.39 0.13 -0.47 -2.00 0.00 0.00 174.74 172.67 1wd3 s TYR 464 N -0.21 -0.09 -1.55 0.38 5.04 0.54 -4.78 117.35 116.68 1wd3 s TYR 464 Ca 0.26 0.45 -0.05 0.00 -2.44 0.00 0.00 57.07 55.29 1wd3 s TYR 464 Cb -0.16 -0.35 0.01 0.00 0.35 0.00 0.00 41.96 41.80 1wd3 s TYR 464 CO 0.13 -0.27 0.66 0.39 -1.34 0.00 0.00 175.55 175.12 1wd3 n GLU 465 N 5.32 -5.16 -1.59 4.97 1.02 -1.26 -1.76 120.64 122.17 1wd3 n GLU 465 Ca -0.04 0.90 -0.16 0.00 -0.02 0.00 0.00 57.16 57.84 1wd3 n GLU 465 Cb 0.50 -5.78 -0.06 0.00 -0.02 0.00 0.00 31.44 26.08 1wd3 n GLU 465 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wd3 n ASN 466 N -2.57 -4.92 -4.32 1.62 3.02 -1.26 -5.00 115.26 101.82 1wd3 n ASN 466 Ca -0.10 0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 54.50 1wd3 n ASN 466 Cb 0.62 -3.87 -0.14 0.00 -0.61 0.00 0.00 39.78 35.78 1wd3 n ASN 466 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wd3 s VAL 467 N -2.63 2.01 -0.05 2.41 1.01 -0.72 -1.56 120.40 120.86 1wd3 s VAL 467 Ca 0.00 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 1wd3 s VAL 467 Cb 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1wd3 s VAL 467 CO 0.00 0.25 0.47 -0.76 0.00 0.00 0.00 175.10 175.06 1wd3 s LEU 468 N -1.39 4.38 0.23 3.92 2.01 -0.37 -0.34 118.68 127.12 1wd3 s LEU 468 Ca 0.11 0.93 0.01 0.00 0.01 0.00 0.00 54.13 55.19 1wd3 s LEU 468 Cb -0.10 -2.69 -0.05 0.00 0.01 0.00 0.00 46.19 43.37 1wd3 s LEU 468 CO 0.03 0.15 0.08 -0.31 1.01 0.00 0.00 176.35 177.31 1wd3 s TYR 469 N -0.22 1.41 -0.73 0.29 2.02 0.35 -1.56 117.35 118.91 1wd3 s TYR 469 Ca 0.26 -1.17 -0.10 0.00 -0.37 0.00 0.00 57.07 55.69 1wd3 s TYR 469 Cb -0.16 -0.81 0.19 0.00 -0.40 0.00 0.00 41.96 40.78 1wd3 s TYR 469 CO 0.13 -0.34 0.62 0.00 -1.57 0.00 0.00 175.55 174.39 1wd3 s ALA 470 N -3.78 3.86 0.16 3.71 0.00 0.17 -0.62 121.76 125.27 1wd3 s ALA 470 Ca 0.35 -3.27 0.06 0.00 0.00 0.00 0.00 51.96 49.10 1wd3 s ALA 470 Cb 0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1wd3 s ALA 470 CO 0.11 -2.20 0.06 0.00 0.00 0.00 0.00 175.76 173.73 1wd3 s ALA 471 N 0.13 3.37 0.21 0.00 0.00 -0.25 -4.65 121.76 120.57 1wd3 s ALA 471 Ca 0.17 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1wd3 s ALA 471 Cb -0.15 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1wd3 s ALA 471 CO -0.06 0.52 0.23 -1.54 0.00 0.00 0.00 175.76 174.90 1wd3 s SER 472 N -2.94 5.80 -1.19 0.00 1.04 -1.26 -0.64 113.70 114.51 1wd3 s SER 472 Ca 0.29 -0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.42 1wd3 s SER 472 Cb -0.10 -1.58 0.01 0.00 0.10 0.00 0.00 66.02 64.45 1wd3 s SER 472 CO 0.21 -0.00 1.78 0.21 0.98 0.00 0.00 173.24 176.41 1wd3 s ASN 473 N -3.58 6.08 0.00 7.02 2.47 -1.26 -4.51 114.94 121.16 1wd3 s ASN 473 Ca 0.33 -1.92 0.00 0.00 0.42 0.00 0.00 52.86 51.69 1wd3 s ASN 473 Cb -0.09 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1wd3 s ASN 473 CO 0.26 -1.95 0.00 0.61 -3.72 0.00 0.00 177.10 172.30 1wd3 n GLY 474 N 5.85 1.42 0.00 1.21 0.00 0.13 -4.87 105.19 108.93 1wd3 n GLY 474 Ca 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1wd3 n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wd3 n GLY 475 N 1.89 -1.48 0.12 -0.02 0.00 -1.23 -4.94 105.19 99.53 1wd3 n GLY 475 Ca 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.12 1wd3 n GLY 475 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wd3 h VAL 476 N 0.00 0.00 -3.29 1.61 -1.51 -1.93 -3.45 116.25 107.67 1wd3 h VAL 476 Ca 0.00 -0.53 -0.56 0.00 -1.23 0.00 0.00 66.70 64.38 1wd3 h VAL 476 Cb 0.00 1.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 1wd3 h VAL 476 CO 0.00 0.00 -0.12 -1.10 -1.23 0.00 0.00 177.57 175.12 1wd3 s GLN 477 N -3.12 3.90 0.31 5.19 1.11 -1.26 -4.98 119.66 120.83 1wd3 s GLN 477 Ca 0.10 0.39 0.02 0.00 0.01 0.00 0.00 55.36 55.88 1wd3 s GLN 477 Cb 0.11 -2.90 0.59 0.00 -1.01 0.00 0.00 33.01 29.80 1wd3 s GLN 477 CO 0.60 0.47 1.91 1.79 0.01 0.00 0.00 175.29 180.07 1wd3 h THR 478 N 2.69 1.03 0.00 -0.19 1.35 -2.03 0.09 112.91 115.84 1wd3 h THR 478 Ca -0.48 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1wd3 h THR 478 Cb 1.19 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1wd3 h THR 478 CO 0.66 0.17 0.00 2.22 -0.25 0.00 0.00 175.52 178.33 1wd3 n PHE 479 N -4.50 0.00 0.57 4.73 1.16 -1.26 -2.13 117.46 116.03 1wd3 n PHE 479 Ca 0.14 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.81 1wd3 n PHE 479 Cb 0.24 0.00 0.26 0.00 -1.61 0.00 0.00 39.48 38.37 1wd3 n PHE 479 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1wd3 n ASP 480 N -0.88 2.60 -4.58 5.98 8.00 0.02 -4.74 116.55 122.95 1wd3 n ASP 480 Ca 0.12 -1.93 -0.50 0.00 0.71 0.00 0.00 54.79 53.19 1wd3 n ASP 480 Cb 0.06 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 1wd3 n ASP 480 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wd3 n SER 481 N 0.92 1.47 0.26 -2.24 2.88 -0.90 0.18 113.62 116.20 1wd3 n SER 481 Ca 0.17 1.13 0.16 0.00 -1.33 0.00 0.00 58.87 59.00 1wd3 n SER 481 Cb 0.44 -1.20 0.60 0.00 -0.75 0.00 0.00 64.21 63.30 1wd3 n SER 481 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wd3 h LYS 482 N 3.94 0.00 -6.23 -1.46 1.57 -1.89 -3.39 116.57 109.11 1wd3 h LYS 482 Ca -0.45 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.77 1wd3 h LYS 482 Cb 1.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.66 1wd3 h LYS 482 CO 0.74 0.03 1.33 0.99 -0.57 0.00 0.00 179.45 181.97 1wd3 s THR 483 N -3.62 3.02 -1.83 -0.16 2.01 -1.26 -1.71 115.64 112.09 1wd3 s THR 483 Ca 0.02 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1wd3 s THR 483 Cb 0.09 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1wd3 s THR 483 CO 0.57 -0.01 0.00 -0.24 -0.69 0.00 0.00 174.62 174.25 1wd3 n SER 484 N 9.04 -5.11 0.23 3.53 2.88 -1.26 -4.92 113.62 118.00 1wd3 n SER 484 Ca 0.23 0.39 -0.16 0.00 -1.33 0.00 0.00 58.87 58.01 1wd3 n SER 484 Cb 0.42 -4.16 -0.08 0.00 -0.75 0.00 0.00 64.21 59.65 1wd3 n SER 484 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1wd3 h PHE 485 N 0.00 -1.04 -0.74 0.66 3.57 -1.52 0.10 116.94 117.96 1wd3 h PHE 485 Ca -0.36 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.30 1wd3 h PHE 485 Cb 1.16 0.41 -0.10 0.00 2.79 0.00 0.00 35.95 40.20 1wd3 h PHE 485 CO 0.49 -0.53 0.25 -0.91 -2.23 0.00 0.00 178.31 175.38 1wd3 h ASN 486 N -0.77 0.16 -0.31 0.41 4.21 -1.91 -0.85 115.58 116.51 1wd3 h ASN 486 Ca -0.03 0.13 -0.15 0.00 1.21 0.00 0.00 56.30 57.46 1wd3 h ASN 486 Cb 0.70 0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 38.04 1wd3 h ASN 486 CO -0.08 0.03 -0.41 0.78 -1.29 0.00 0.00 177.43 176.47 1wd3 h ASN 487 N 0.36 0.89 0.40 5.81 2.35 -1.89 -3.15 115.58 120.36 1wd3 h ASN 487 Ca 0.42 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1wd3 h ASN 487 Cb 0.68 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1wd3 h ASN 487 CO -0.45 1.22 0.00 0.47 -1.65 0.00 0.00 177.43 177.01 1wd3 n ASP 488 N -4.12 0.04 -0.39 5.81 8.00 0.33 -2.25 116.55 123.97 1wd3 n ASP 488 Ca -0.04 0.51 0.05 0.00 0.71 0.00 0.00 54.79 56.03 1wd3 n ASP 488 Cb 0.55 -0.52 0.12 0.00 -0.02 0.00 0.00 41.12 41.25 1wd3 n ASP 488 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1wd3 n VAL 489 N -1.55 1.39 -4.38 2.53 0.24 -0.61 -2.62 118.33 113.33 1wd3 n VAL 489 Ca 0.03 -1.38 -0.34 0.00 -2.04 0.00 0.00 64.34 60.61 1wd3 n VAL 489 Cb 0.14 0.24 -0.14 0.00 -1.47 0.00 0.00 33.84 32.60 1wd3 n VAL 489 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1wd3 s SER 490 N -1.49 4.01 -0.01 -1.34 0.01 -0.95 -4.10 113.70 109.84 1wd3 s SER 490 Ca 0.21 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.12 1wd3 s SER 490 Cb 0.15 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 1wd3 s SER 490 CO 0.07 0.08 -0.11 -0.36 0.41 0.00 0.00 173.24 173.33 1wd3 s PHE 491 N 0.88 1.02 -0.01 2.43 0.08 0.22 -3.36 117.98 119.24 1wd3 s PHE 491 Ca -0.03 -0.20 -0.22 0.00 0.12 0.00 0.00 56.93 56.59 1wd3 s PHE 491 Cb -0.15 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.60 1wd3 s PHE 491 CO 0.00 -0.01 0.66 -1.21 -0.10 0.00 0.00 175.22 174.56 1wd3 s GLU 492 N -0.33 4.40 -0.24 0.44 0.41 -0.18 -0.51 118.70 122.69 1wd3 s GLU 492 Ca 0.04 0.85 -0.23 0.00 -0.41 0.00 0.00 54.97 55.22 1wd3 s GLU 492 Cb -0.05 -3.38 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 1wd3 s GLU 492 CO -0.00 0.26 0.75 0.42 -0.49 0.00 0.00 175.26 176.20 1wd3 s ILE 493 N 0.12 4.90 0.34 -1.63 1.01 -1.26 -1.30 121.20 123.38 1wd3 s ILE 493 Ca 0.34 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.43 1wd3 s ILE 493 Cb -0.19 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1wd3 s ILE 493 CO 0.19 -0.02 0.07 -1.61 0.00 0.00 0.00 174.94 173.57 1wd3 s GLU 494 N 2.60 1.69 0.47 2.79 2.02 -0.43 -5.01 118.70 122.84 1wd3 s GLU 494 Ca 0.32 -1.96 -0.25 0.00 0.02 0.00 0.00 54.97 53.10 1wd3 s GLU 494 Cb -0.15 -0.79 -0.08 0.00 0.10 0.00 0.00 34.13 33.21 1wd3 s GLU 494 CO 0.08 -0.25 1.43 2.41 0.02 0.00 0.00 175.26 178.96 1wd3 n THR 495 N -0.72 2.96 -2.25 3.63 -1.04 -1.26 -1.94 114.28 113.66 1wd3 n THR 495 Ca -0.03 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.08 1wd3 n THR 495 Cb 0.66 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 1wd3 n THR 495 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wd3 s ALA 496 N -1.20 3.43 0.33 2.41 0.00 -1.24 -4.08 121.76 121.41 1wd3 s ALA 496 Ca 0.63 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.75 1wd3 s ALA 496 Cb -0.44 -3.42 0.59 0.00 0.00 0.00 0.00 23.12 19.85 1wd3 s ALA 496 CO 0.56 -0.48 1.85 0.74 0.00 0.00 0.00 175.76 178.43 1wd3 h PHE 497 N 3.43 0.50 0.00 0.00 0.04 -1.82 -1.34 116.94 117.75 1wd3 h PHE 497 Ca -0.48 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.23 1wd3 h PHE 497 Cb 1.22 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1wd3 h PHE 497 CO 0.57 0.54 0.00 0.00 -0.60 0.00 0.00 178.31 178.82 1wd3 n ALA 498 N -2.48 2.27 -0.85 2.45 0.00 -1.25 -4.93 120.51 115.72 1wd3 n ALA 498 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wd3 n ALA 498 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1wd3 n ALA 498 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95