#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc4 s LYS 4 N 0.00 1.35 -0.01 7.34 1.02 0.50 -5.00 119.74 124.95 2wc4 s LYS 4 Ca 0.00 -1.93 -0.17 0.00 0.02 0.00 0.00 55.97 53.89 2wc4 s LYS 4 Cb 0.00 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.63 2wc4 s LYS 4 CO 0.00 -1.08 0.49 0.21 -0.92 0.00 0.00 175.35 174.05 2wc4 s LYS 5 N 0.56 4.14 0.65 1.68 2.20 -1.26 -1.52 119.74 126.18 2wc4 s LYS 5 Ca 0.15 0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 56.27 2wc4 s LYS 5 Cb -0.22 -3.29 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2wc4 s LYS 5 CO -0.06 0.52 0.93 -0.06 -0.36 0.00 0.00 175.35 176.31 2wc4 s PHE 6 N -0.58 2.79 0.72 4.03 0.40 0.18 -5.00 117.98 120.51 2wc4 s PHE 6 Ca 0.26 0.22 -0.15 0.00 -0.60 0.00 0.00 56.93 56.66 2wc4 s PHE 6 Cb -0.17 -3.03 0.03 0.00 0.51 0.00 0.00 43.02 40.36 2wc4 s PHE 6 CO 0.15 -1.24 1.21 -2.14 0.70 0.00 0.00 175.22 173.89 2wc4 s PRO 7 N -5.06 2.21 0.19 0.24 0.02 -1.26 -4.92 135.00 126.42 2wc4 s PRO 7 Ca 0.60 1.76 -0.33 0.00 0.02 0.00 0.00 61.00 63.05 2wc4 s PRO 7 Cb -0.10 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.44 2wc4 s PRO 7 CO 0.42 -1.78 1.51 -0.85 -0.33 0.00 0.00 177.00 175.97 2wc4 n GLU 8 N -2.63 2.09 -0.22 5.54 0.00 -1.26 -1.74 120.64 122.42 2wc4 n GLU 8 Ca 0.13 0.75 0.00 0.00 0.00 0.00 0.00 57.16 58.04 2wc4 n GLU 8 Cb 0.50 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.47 2wc4 n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wc4 n GLY 9 N 2.88 1.17 3.64 -1.84 0.00 -1.26 -5.01 105.19 104.76 2wc4 n GLY 9 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 2wc4 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wc4 n PHE 10 N -2.00 1.84 -3.58 1.61 7.35 -0.71 -4.93 117.46 117.03 2wc4 n PHE 10 Ca 0.00 0.52 -0.39 0.00 -0.76 0.00 0.00 57.45 56.82 2wc4 n PHE 10 Cb 0.00 -2.39 -0.11 0.00 0.35 0.00 0.00 39.48 37.33 2wc4 n PHE 10 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2wc4 s LEU 11 N 0.30 4.30 -0.25 -2.13 2.96 -0.62 -4.99 118.68 118.26 2wc4 s LEU 11 Ca 0.70 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 54.11 2wc4 s LEU 11 Cb -0.72 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 2wc4 s LEU 11 CO 0.51 -0.19 0.16 0.26 -1.32 0.00 0.00 176.35 175.76 2wc4 s TRP 12 N 1.69 3.28 0.45 5.38 0.52 -1.26 -1.19 118.94 127.81 2wc4 s TRP 12 Ca 0.06 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.37 2wc4 s TRP 12 Cb -0.17 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2wc4 s TRP 12 CO 0.09 -0.01 0.11 0.20 0.02 0.00 0.00 176.95 177.36 2wc4 s GLY 13 N 1.23 2.80 0.04 0.98 0.00 0.52 -1.70 107.32 111.19 2wc4 s GLY 13 Ca 0.07 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.91 2wc4 s GLY 13 CO 0.06 -1.93 -0.07 -1.34 0.00 0.00 0.00 173.10 169.82 2wc4 s VAL 14 N -3.11 0.49 0.07 1.40 -7.23 -0.84 -1.58 120.40 109.60 2wc4 s VAL 14 Ca 0.17 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.39 2wc4 s VAL 14 Cb 0.01 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 2wc4 s VAL 14 CO 0.11 -0.37 -0.21 0.00 -0.31 0.00 0.00 175.10 174.32 2wc4 s ALA 15 N -1.34 1.80 0.28 1.32 0.00 0.02 -1.09 121.76 122.76 2wc4 s ALA 15 Ca -0.10 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.76 2wc4 s ALA 15 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2wc4 s ALA 15 CO 0.00 0.39 0.29 0.25 0.00 0.00 0.00 175.76 176.69 2wc4 n THR 16 N 1.55 0.00 -3.89 0.00 -2.24 0.05 -2.61 114.28 107.15 2wc4 n THR 16 Ca -0.18 -1.89 -0.11 0.00 -2.27 0.00 0.00 64.05 59.60 2wc4 n THR 16 Cb 0.53 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 2wc4 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc4 s ALA 17 N -2.98 -0.24 0.10 6.98 0.00 -1.26 -3.94 121.76 120.42 2wc4 s ALA 17 Ca 0.31 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 2wc4 s ALA 17 Cb 0.01 0.10 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 2wc4 s ALA 17 CO 0.22 -0.19 1.64 0.66 0.00 0.00 0.00 175.76 178.09 2wc4 h SER 18 N 4.44 -0.69 0.31 0.00 4.64 -1.89 -2.16 113.55 118.20 2wc4 h SER 18 Ca -0.31 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 2wc4 h SER 18 Cb 1.20 0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2wc4 h SER 18 CO 0.41 -0.36 -0.16 0.22 -0.87 0.00 0.00 176.83 176.06 2wc4 h TYR 19 N -0.52 0.00 0.00 4.77 3.20 -1.93 -0.63 116.97 121.86 2wc4 h TYR 19 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2wc4 h TYR 19 Cb 0.50 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2wc4 h TYR 19 CO -0.18 0.16 -0.35 1.96 -1.64 0.00 0.00 178.16 178.11 2wc4 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.66 -3.38 115.11 116.09 2wc4 h GLN 20 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wc4 h GLN 20 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2wc4 h GLN 20 CO 0.02 0.35 -0.96 0.44 -0.67 0.00 0.00 178.83 178.02 2wc4 n ILE 21 N -3.23 0.00 -0.03 2.54 -5.35 -1.05 -1.96 119.36 110.28 2wc4 n ILE 21 Ca 0.02 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.35 2wc4 n ILE 21 Cb 0.64 -0.33 -0.11 0.00 -1.74 0.00 0.00 39.64 38.10 2wc4 n ILE 21 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2wc4 h GLU 22 N 0.00 0.20 0.00 6.28 5.08 -1.30 -2.00 114.58 122.85 2wc4 h GLU 22 Ca 0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2wc4 h GLU 22 Cb 0.54 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2wc4 h GLU 22 CO 0.00 0.89 -0.02 0.41 -1.00 0.00 0.00 179.01 179.29 2wc4 n GLY 23 N 0.90 -1.49 3.74 -3.84 0.00 -1.22 -1.14 105.19 102.15 2wc4 n GLY 23 Ca -0.09 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 2wc4 n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wc4 n SER 24 N -1.30 -1.99 0.30 1.61 7.64 0.04 -4.73 113.62 115.18 2wc4 n SER 24 Ca 0.00 -0.90 0.18 0.00 1.01 0.00 0.00 58.87 59.16 2wc4 n SER 24 Cb 0.02 -3.73 0.90 0.00 -1.01 0.00 0.00 64.21 60.40 2wc4 n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wc4 h PRO 25 N -1.83 0.00 -0.19 1.43 0.13 -1.84 -2.48 132.00 127.22 2wc4 h PRO 25 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2wc4 h PRO 25 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2wc4 h PRO 25 CO 0.56 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 2wc4 n LEU 26 N -3.29 2.66 -4.77 1.56 4.77 -1.26 -4.62 117.00 112.05 2wc4 n LEU 26 Ca -0.02 -2.18 -0.38 0.00 -0.03 0.00 0.00 56.01 53.41 2wc4 n LEU 26 Cb 0.19 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2wc4 n LEU 26 CO 0.25 0.64 0.86 0.00 -1.33 0.00 0.00 177.39 177.82 2wc4 s ALA 27 N -1.31 3.03 -1.47 -1.18 0.00 -0.94 -4.09 121.76 115.80 2wc4 s ALA 27 Ca 0.18 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 2wc4 s ALA 27 Cb 0.11 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.83 2wc4 s ALA 27 CO 0.09 -0.73 0.87 -0.25 0.00 0.00 0.00 175.76 175.74 2wc4 n ASP 28 N -0.34 -6.17 0.00 0.00 8.00 -1.26 -1.64 116.55 115.14 2wc4 n ASP 28 Ca 0.06 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.15 2wc4 n ASP 28 Cb 0.47 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 2wc4 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wc4 n GLY 29 N -1.74 0.71 3.76 0.44 0.00 -1.26 -4.54 105.19 102.56 2wc4 n GLY 29 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2wc4 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc4 s ALA 30 N -2.47 3.01 0.54 4.61 0.00 -0.65 -4.75 121.76 122.06 2wc4 s ALA 30 Ca 0.00 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 2wc4 s ALA 30 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2wc4 s ALA 30 CO 0.00 -1.18 0.88 0.20 0.00 0.00 0.00 175.76 175.66 2wc4 s GLY 31 N -0.84 1.56 0.45 0.00 0.00 -0.34 -4.73 107.32 103.42 2wc4 s GLY 31 Ca 0.66 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 2wc4 s GLY 31 CO 0.49 -0.21 1.32 1.06 0.00 0.00 0.00 173.10 175.76 2wc4 s MET 32 N -4.92 3.70 0.39 2.90 -1.94 -1.26 -4.65 119.30 113.51 2wc4 s MET 32 Ca 0.51 2.17 0.05 0.00 -1.71 0.00 0.00 55.69 56.71 2wc4 s MET 32 Cb -0.11 -2.58 -0.00 0.00 2.01 0.00 0.00 34.83 34.16 2wc4 s MET 32 CO 0.48 -0.72 0.56 -1.54 -0.01 0.00 0.00 175.02 173.78 2wc4 s SER 33 N -0.83 5.85 0.59 3.03 1.04 -1.26 -0.65 113.70 121.47 2wc4 s SER 33 Ca 0.62 -0.08 0.37 0.00 0.48 0.00 0.00 55.95 57.34 2wc4 s SER 33 Cb -0.38 -1.22 1.74 0.00 0.10 0.00 0.00 66.02 66.26 2wc4 s SER 33 CO 0.48 -0.59 2.12 0.16 0.98 0.00 0.00 173.24 176.39 2wc4 h ILE 34 N 0.68 0.02 0.00 -1.02 3.07 -0.96 -2.50 117.51 116.79 2wc4 h ILE 34 Ca -0.45 -0.34 -0.20 0.00 1.55 0.00 0.00 64.86 65.42 2wc4 h ILE 34 Cb 1.26 1.33 -0.03 0.00 -0.27 0.00 0.00 36.82 39.12 2wc4 h ILE 34 CO 0.53 0.01 -0.93 -0.50 -1.05 0.00 0.00 178.15 176.20 2wc4 h TRP 35 N 0.00 0.00 0.36 0.16 4.06 -1.84 -0.95 115.95 117.74 2wc4 h TRP 35 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2wc4 h TRP 35 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 2wc4 h TRP 35 CO 0.00 0.93 -0.18 1.25 -3.56 0.00 0.00 178.44 176.89 2wc4 h HIS 36 N 0.00 -0.46 -0.43 0.49 2.76 -1.86 -0.82 115.15 114.83 2wc4 h HIS 36 Ca -0.01 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.02 2wc4 h HIS 36 Cb 1.66 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.76 2wc4 h HIS 36 CO 0.00 -0.29 -0.27 1.79 -1.30 0.00 0.00 177.93 177.87 2wc4 h THR 37 N -0.49 1.27 -0.26 6.26 1.35 -1.49 -1.52 112.91 118.02 2wc4 h THR 37 Ca -0.05 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.36 2wc4 h THR 37 Cb 0.38 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2wc4 h THR 37 CO 0.08 0.48 0.04 0.15 -0.25 0.00 0.00 175.52 176.01 2wc4 h PHE 38 N 0.77 0.47 0.00 4.73 3.57 -1.20 -2.71 116.94 122.57 2wc4 h PHE 38 Ca 0.09 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 2wc4 h PHE 38 Cb 0.83 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2wc4 h PHE 38 CO 0.05 0.56 -0.30 0.66 -2.23 0.00 0.00 178.31 177.05 2wc4 h SER 39 N 0.24 0.00 -0.17 0.41 4.64 -1.10 -2.41 113.55 115.17 2wc4 h SER 39 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2wc4 h SER 39 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2wc4 h SER 39 CO 0.01 0.30 0.00 1.41 -0.87 0.00 0.00 176.83 177.68 2wc4 n HIS 40 N -3.45 0.22 -3.40 4.77 8.25 -0.58 -4.74 115.22 116.30 2wc4 n HIS 40 Ca 0.00 -0.11 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 2wc4 n HIS 40 Cb 0.48 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 2wc4 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wc4 s THR 41 N -1.78 5.17 0.22 1.59 2.01 -0.91 -5.05 115.64 116.90 2wc4 s THR 41 Ca 0.19 0.49 -0.31 0.00 0.31 0.00 0.00 61.69 62.37 2wc4 s THR 41 Cb 0.10 -3.71 -0.14 0.00 0.01 0.00 0.00 72.50 68.75 2wc4 s THR 41 CO 0.14 0.12 1.25 -2.65 -0.69 0.00 0.00 174.62 172.79 2wc4 n PRO 42 N 5.34 1.56 -0.21 4.92 -0.02 -1.26 -2.60 135.00 142.73 2wc4 n PRO 42 Ca -0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2wc4 n PRO 42 Cb 0.51 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2wc4 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wc4 n GLY 43 N 1.94 0.90 0.10 -1.23 0.00 -1.26 -4.93 105.19 100.71 2wc4 n GLY 43 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2wc4 n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wc4 h ASN 44 N 0.00 0.00 -4.06 1.61 2.35 -1.78 -3.46 115.58 110.24 2wc4 h ASN 44 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2wc4 h ASN 44 Cb 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 38.07 2wc4 h ASN 44 CO 0.00 0.63 -0.82 -0.69 -1.65 0.00 0.00 177.43 174.90 2wc4 s VAL 45 N -2.89 1.19 0.23 2.81 1.01 -1.26 -4.78 120.40 116.72 2wc4 s VAL 45 Ca -0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2wc4 s VAL 45 Cb 0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 36.38 35.30 2wc4 s VAL 45 CO 0.80 0.34 1.14 1.17 0.00 0.00 0.00 175.10 178.56 2wc4 n LYS 46 N 2.95 1.37 -1.09 2.72 4.81 -0.17 -1.28 118.16 127.47 2wc4 n LYS 46 Ca -0.16 0.49 -0.06 0.00 -0.87 0.00 0.00 58.31 57.71 2wc4 n LYS 46 Cb 0.54 -1.96 -0.02 0.00 0.02 0.00 0.00 35.03 33.61 2wc4 n LYS 46 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wc4 n ASN 47 N 1.72 -5.24 -1.58 3.14 3.02 -1.26 -2.10 115.26 112.97 2wc4 n ASN 47 Ca 0.12 0.14 -0.18 0.00 -0.03 0.00 0.00 54.58 54.64 2wc4 n ASN 47 Cb 0.29 -3.56 -0.05 0.00 -0.61 0.00 0.00 39.78 35.85 2wc4 n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wc4 n GLY 48 N 0.52 1.04 3.74 7.41 0.00 -0.41 -4.97 105.19 112.52 2wc4 n GLY 48 Ca -0.06 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2wc4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wc4 s ASP 49 N -2.61 4.89 0.26 1.61 1.01 -0.89 -5.02 116.67 115.93 2wc4 s ASP 49 Ca 0.00 2.64 0.02 0.00 0.71 0.00 0.00 52.55 55.92 2wc4 s ASP 49 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2wc4 s ASP 49 CO 0.00 -1.81 0.13 0.42 0.21 0.00 0.00 175.17 174.12 2wc4 s THR 50 N -1.39 0.33 -1.03 -1.27 -4.23 -1.26 -4.79 115.64 102.00 2wc4 s THR 50 Ca 0.78 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 2wc4 s THR 50 Cb -0.38 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.21 2wc4 s THR 50 CO 0.41 0.00 1.04 0.61 -0.54 0.00 0.00 174.62 176.14 2wc4 n GLY 51 N -0.47 1.65 0.33 3.99 0.00 -1.26 -4.51 105.19 104.92 2wc4 n GLY 51 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.69 2wc4 n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wc4 h ASP 52 N 1.58 0.74 0.00 1.61 5.19 -1.94 -3.32 116.42 120.28 2wc4 h ASP 52 Ca 0.00 -0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.20 2wc4 h ASP 52 Cb 0.91 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 2wc4 h ASP 52 CO 0.14 0.58 -1.52 0.52 -3.12 0.00 0.00 179.24 175.85 2wc4 n VAL 53 N -4.40 0.63 0.00 -1.35 0.31 -1.26 -0.78 118.33 111.48 2wc4 n VAL 53 Ca 0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2wc4 n VAL 53 Cb 0.08 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 2wc4 n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wc4 n ALA 54 N -3.50 0.00 1.13 3.52 0.00 -1.26 -0.51 120.51 119.89 2wc4 n ALA 54 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.33 2wc4 n ALA 54 Cb 0.62 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.38 2wc4 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wc4 n ASP 56 N 0.37 -3.60 0.25 0.00 2.03 0.33 -4.84 116.55 111.10 2wc4 n ASP 56 Ca 0.15 -0.45 0.12 0.00 0.52 0.00 0.00 54.79 55.13 2wc4 n ASP 56 Cb 0.31 -2.98 0.65 0.00 -0.72 0.00 0.00 41.12 38.39 2wc4 n ASP 56 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2wc4 h HIS 57 N -1.01 0.00 -0.93 -0.67 -0.00 -1.03 -0.34 115.15 111.18 2wc4 h HIS 57 Ca -0.44 0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.14 2wc4 h HIS 57 Cb 1.29 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.63 2wc4 h HIS 57 CO 0.67 0.15 0.61 -0.92 -0.00 0.00 0.00 177.93 178.44 2wc4 h TYR 58 N 0.00 0.57 0.00 5.26 3.20 -1.36 -0.85 116.97 123.79 2wc4 h TYR 58 Ca -0.00 0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.58 2wc4 h TYR 58 Cb 0.46 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 2wc4 h TYR 58 CO 0.00 0.14 -2.32 0.09 -1.64 0.00 0.00 178.16 174.43 2wc4 n ASN 59 N -4.53 0.02 -0.84 -2.11 3.02 -0.69 -4.62 115.26 105.50 2wc4 n ASN 59 Ca 0.20 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.82 2wc4 n ASN 59 Cb 0.72 1.16 0.21 0.00 -0.61 0.00 0.00 39.78 41.26 2wc4 n ASN 59 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wc4 n ARG 60 N -2.67 2.96 -0.33 3.52 1.74 -0.22 -4.66 116.66 117.00 2wc4 n ARG 60 Ca -0.28 -2.33 0.13 0.00 -0.77 0.00 0.00 57.85 54.60 2wc4 n ARG 60 Cb 1.06 -1.46 0.35 0.00 -1.02 0.00 0.00 32.46 31.39 2wc4 n ARG 60 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wc4 h TRP 61 N 2.40 0.96 -0.24 -1.55 5.08 -1.39 -1.80 115.95 119.40 2wc4 h TRP 61 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 2wc4 h TRP 61 Cb 0.95 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 26.81 2wc4 h TRP 61 CO 0.35 0.26 0.13 -0.22 -1.28 0.00 0.00 178.44 177.69 2wc4 h LYS 62 N 0.73 0.33 -0.42 0.12 3.64 -1.87 -1.27 116.57 117.82 2wc4 h LYS 62 Ca 0.54 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.91 2wc4 h LYS 62 Cb 0.88 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 2wc4 h LYS 62 CO -0.31 0.29 0.21 1.49 -2.27 0.00 0.00 179.45 178.86 2wc4 h GLU 63 N 0.28 0.40 -0.72 1.90 4.81 -1.71 -0.83 114.58 118.71 2wc4 h GLU 63 Ca 0.08 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2wc4 h GLU 63 Cb 0.05 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2wc4 h GLU 63 CO -0.01 0.27 0.47 -0.44 -0.73 0.00 0.00 179.01 178.56 2wc4 h ASP 64 N 0.42 0.79 -0.19 1.04 3.32 -1.16 -1.69 116.42 118.94 2wc4 h ASP 64 Ca 0.18 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2wc4 h ASP 64 Cb 0.09 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2wc4 h ASP 64 CO -0.13 0.56 -0.07 0.40 -1.72 0.00 0.00 179.24 178.28 2wc4 h ILE 65 N 0.94 1.22 0.00 0.35 2.04 -0.88 -1.98 117.51 119.20 2wc4 h ILE 65 Ca 0.28 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 2wc4 h ILE 65 Cb -0.05 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2wc4 h ILE 65 CO -0.08 0.31 -0.17 -0.33 0.00 0.00 0.00 178.15 177.88 2wc4 h GLU 66 N 0.50 0.00 -0.20 2.37 5.08 -0.41 0.36 114.58 122.28 2wc4 h GLU 66 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2wc4 h GLU 66 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2wc4 h GLU 66 CO 0.02 0.17 -0.33 0.82 -1.00 0.00 0.00 179.01 178.70 2wc4 h ILE 67 N 0.00 1.33 -0.25 3.13 2.04 -0.62 0.11 117.51 123.25 2wc4 h ILE 67 Ca -0.00 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.36 2wc4 h ILE 67 Cb 0.33 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 2wc4 h ILE 67 CO 0.02 0.48 -0.01 0.40 0.00 0.00 0.00 178.15 179.03 2wc4 h ILE 68 N 0.24 0.80 -0.35 -0.67 2.04 -0.72 -1.04 117.51 117.80 2wc4 h ILE 68 Ca 0.01 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.90 2wc4 h ILE 68 Cb 0.91 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2wc4 h ILE 68 CO 0.07 0.01 0.09 -0.08 0.00 0.00 0.00 178.15 178.24 2wc4 h GLU 69 N 0.06 0.21 -0.45 2.37 4.81 -0.90 -1.98 114.58 118.71 2wc4 h GLU 69 Ca 0.12 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2wc4 h GLU 69 Cb 0.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2wc4 h GLU 69 CO -0.22 0.14 0.15 -0.22 -0.73 0.00 0.00 179.01 178.14 2wc4 h LYS 70 N 0.22 0.65 -0.00 1.92 3.64 -0.31 -0.93 116.57 121.76 2wc4 h LYS 70 Ca 0.16 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2wc4 h LYS 70 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wc4 h LYS 70 CO -0.20 0.56 -0.07 1.28 -2.27 0.00 0.00 179.45 178.74 2wc4 n LEU 71 N -4.34 0.08 -0.18 5.20 4.77 -0.46 -4.91 117.00 117.15 2wc4 n LEU 71 Ca 0.03 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.40 2wc4 n LEU 71 Cb 0.17 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 2wc4 n LEU 71 CO 0.38 0.02 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 2wc4 n GLY 72 N 1.49 0.58 3.74 -0.72 0.00 -0.35 -4.43 105.19 105.49 2wc4 n GLY 72 Ca 0.07 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2wc4 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc4 s VAL 73 N -2.05 3.63 -0.69 1.61 1.01 -0.96 -4.87 120.40 118.08 2wc4 s VAL 73 Ca 0.00 1.46 0.23 0.00 0.00 0.00 0.00 61.98 63.67 2wc4 s VAL 73 Cb 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2wc4 s VAL 73 CO 0.00 0.27 1.15 0.29 0.00 0.00 0.00 175.10 176.81 2wc4 n LYS 74 N 2.05 0.23 -3.86 2.72 4.01 -0.69 -4.73 118.16 117.89 2wc4 n LYS 74 Ca 0.02 0.02 -0.11 0.00 -0.51 0.00 0.00 58.31 57.72 2wc4 n LYS 74 Cb 0.45 -1.60 -0.10 0.00 -0.51 0.00 0.00 35.03 33.28 2wc4 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wc4 s ALA 75 N -3.15 -0.38 -0.20 7.82 0.00 -0.90 -0.63 121.76 124.31 2wc4 s ALA 75 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2wc4 s ALA 75 Cb 0.15 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.41 2wc4 s ALA 75 CO 0.77 -0.21 -0.03 -0.47 0.00 0.00 0.00 175.76 175.82 2wc4 s TYR 76 N -1.33 1.82 -0.30 0.00 5.04 -0.66 -1.98 117.35 119.95 2wc4 s TYR 76 Ca -0.14 -1.32 -0.23 0.00 -2.44 0.00 0.00 57.07 52.94 2wc4 s TYR 76 Cb -0.07 -1.35 -0.00 0.00 0.35 0.00 0.00 41.96 40.88 2wc4 s TYR 76 CO 0.02 -0.69 0.76 0.50 -1.34 0.00 0.00 175.55 174.80 2wc4 s ARG 77 N 1.59 3.98 0.22 4.97 3.52 -0.25 -0.61 118.95 132.37 2wc4 s ARG 77 Ca -0.03 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 2wc4 s ARG 77 Cb -0.17 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 2wc4 s ARG 77 CO -0.07 -0.63 0.09 -0.59 -0.81 0.00 0.00 175.30 173.29 2wc4 s PHE 78 N 2.87 1.33 0.23 5.12 -0.71 -0.51 -0.77 117.98 125.54 2wc4 s PHE 78 Ca 0.31 -1.23 0.11 0.00 -1.04 0.00 0.00 56.93 55.08 2wc4 s PHE 78 Cb -0.14 -0.73 -0.05 0.00 -1.21 0.00 0.00 43.02 40.89 2wc4 s PHE 78 CO 0.12 -0.44 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.81 2wc4 s SER 79 N -3.23 3.41 -0.13 1.98 1.04 -1.25 0.14 113.70 115.66 2wc4 s SER 79 Ca 0.36 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.80 2wc4 s SER 79 Cb 0.07 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2wc4 s SER 79 CO 0.11 0.05 -0.02 -0.63 0.98 0.00 0.00 173.24 173.74 2wc4 s ILE 80 N -2.18 4.10 -0.40 -1.02 1.01 -0.84 -4.13 121.20 117.75 2wc4 s ILE 80 Ca 0.25 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 2wc4 s ILE 80 Cb -0.06 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.66 2wc4 s ILE 80 CO 0.12 0.53 1.25 -0.55 0.00 0.00 0.00 174.94 176.29 2wc4 s SER 81 N -0.12 6.58 0.17 3.58 0.15 -1.26 -4.69 113.70 118.12 2wc4 s SER 81 Ca 0.03 0.79 -0.15 0.00 0.70 0.00 0.00 55.95 57.33 2wc4 s SER 81 Cb -0.13 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.76 2wc4 s SER 81 CO 0.02 -1.23 1.71 -0.25 1.20 0.00 0.00 173.24 174.69 2wc4 h TRP 82 N 9.56 0.05 0.00 3.44 2.91 -1.84 -1.54 115.95 128.52 2wc4 h TRP 82 Ca -0.25 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.80 2wc4 h TRP 82 Cb 1.08 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 2wc4 h TRP 82 CO 0.94 -0.04 0.00 -0.35 -1.03 0.00 0.00 178.44 177.96 2wc4 n PRO 83 N -5.16 0.10 0.09 2.65 -0.04 -1.26 -0.76 135.00 130.62 2wc4 n PRO 83 Ca 0.03 0.29 -0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2wc4 n PRO 83 Cb 0.21 -1.67 0.29 0.00 -0.04 0.00 0.00 33.50 32.29 2wc4 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wc4 h ARG 84 N 0.00 0.27 0.02 0.54 3.08 -1.55 -0.88 114.38 115.86 2wc4 h ARG 84 Ca 0.00 -0.09 -0.27 0.00 0.07 0.00 0.00 59.98 59.69 2wc4 h ARG 84 Cb 0.36 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2wc4 h ARG 84 CO 0.00 0.52 -1.45 -0.89 -1.07 0.00 0.00 179.97 177.08 2wc4 n ILE 85 N -4.15 1.57 -3.87 2.04 2.08 -0.07 -4.05 119.36 112.92 2wc4 n ILE 85 Ca -0.01 -0.14 -0.30 0.00 0.56 0.00 0.00 62.75 62.86 2wc4 n ILE 85 Cb 0.37 -1.99 -0.14 0.00 -0.75 0.00 0.00 39.64 37.14 2wc4 n ILE 85 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2wc4 s LEU 86 N -7.73 3.65 0.52 1.39 1.43 0.06 -0.34 118.68 117.67 2wc4 s LEU 86 Ca -0.29 -2.51 0.23 0.00 -1.03 0.00 0.00 54.13 50.53 2wc4 s LEU 86 Cb 0.07 -1.35 1.35 0.00 0.03 0.00 0.00 46.19 46.28 2wc4 s LEU 86 CO 0.61 -0.30 2.03 -0.65 0.23 0.00 0.00 176.35 178.27 2wc4 h PRO 87 N 7.05 0.02 -0.60 1.29 0.11 -1.72 0.27 132.00 138.42 2wc4 h PRO 87 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wc4 h PRO 87 Cb 0.95 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2wc4 h PRO 87 CO 0.56 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 2wc4 n GLU 88 N -4.42 2.65 0.00 1.05 1.02 -1.26 -4.33 120.64 115.34 2wc4 n GLU 88 Ca 0.07 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 2wc4 n GLU 88 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2wc4 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc4 n GLY 89 N 1.52 2.38 3.46 0.62 0.00 0.94 -4.55 105.19 109.57 2wc4 n GLY 89 Ca 0.22 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 2wc4 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wc4 s THR 90 N -0.23 1.20 0.00 2.61 -4.23 -1.26 -4.80 115.64 108.93 2wc4 s THR 90 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2wc4 s THR 90 Cb 0.00 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2wc4 s THR 90 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2wc4 n GLY 91 N -0.71 0.90 3.74 3.99 0.00 -1.26 -4.85 105.19 107.00 2wc4 n GLY 91 Ca -0.03 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2wc4 n GLY 91 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wc4 s ARG 92 N 0.00 4.21 -0.05 1.61 1.70 -1.26 -4.98 118.95 120.17 2wc4 s ARG 92 Ca 0.00 2.41 -0.19 0.00 -0.47 0.00 0.00 55.73 57.48 2wc4 s ARG 92 Cb 0.00 -3.09 -0.05 0.00 -0.57 0.00 0.00 34.95 31.24 2wc4 s ARG 92 CO 0.00 -0.54 0.52 0.08 -1.08 0.00 0.00 175.30 174.28 2wc4 s VAL 93 N 0.33 5.04 -0.55 4.99 1.01 -1.26 -4.26 120.40 125.70 2wc4 s VAL 93 Ca 0.64 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 63.44 2wc4 s VAL 93 Cb -0.44 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2wc4 s VAL 93 CO 0.41 0.40 0.98 0.21 0.00 0.00 0.00 175.10 177.10 2wc4 s ASN 94 N 0.03 6.36 0.27 3.32 2.47 0.54 -4.93 114.94 123.00 2wc4 s ASN 94 Ca 0.28 -0.28 -0.03 0.00 0.42 0.00 0.00 52.86 53.26 2wc4 s ASN 94 Cb -0.17 -2.45 0.40 0.00 -1.45 0.00 0.00 41.25 37.58 2wc4 s ASN 94 CO 0.14 -1.26 1.89 -0.61 -3.72 0.00 0.00 177.10 173.54 2wc4 h GLN 95 N 9.34 1.16 -0.06 0.43 5.75 -1.89 -1.24 115.11 128.59 2wc4 h GLN 95 Ca -0.26 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.14 2wc4 h GLN 95 Cb 1.07 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 2wc4 h GLN 95 CO 1.10 0.77 -0.13 0.87 -2.65 0.00 0.00 178.83 178.79 2wc4 h LYS 96 N 1.20 0.10 -0.01 1.69 1.57 -1.91 0.12 116.57 119.33 2wc4 h LYS 96 Ca 0.43 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2wc4 h LYS 96 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wc4 h LYS 96 CO -0.16 0.23 0.00 0.78 -0.57 0.00 0.00 179.45 179.73 2wc4 h GLY 97 N 0.55 0.01 0.64 3.86 0.00 -1.38 -2.32 103.07 104.44 2wc4 h GLY 97 Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.40 2wc4 h GLY 97 CO 0.02 0.00 0.28 1.41 0.00 0.00 0.00 176.54 178.25 2wc4 h LEU 98 N -0.11 0.38 -1.03 3.11 3.38 -1.00 -2.56 115.31 117.47 2wc4 h LEU 98 Ca 0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2wc4 h LEU 98 Cb 0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2wc4 h LEU 98 CO -0.00 0.25 0.64 0.44 0.09 0.00 0.00 178.44 179.86 2wc4 h ASP 99 N 0.52 1.03 -0.03 -0.43 3.32 -0.71 0.11 116.42 120.24 2wc4 h ASP 99 Ca 0.26 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2wc4 h ASP 99 Cb 0.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2wc4 h ASP 99 CO -0.20 0.66 0.01 0.15 -1.72 0.00 0.00 179.24 178.15 2wc4 h PHE 100 N 1.17 0.05 0.00 4.55 3.57 -1.01 -2.06 116.94 123.22 2wc4 h PHE 100 Ca 0.42 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.78 2wc4 h PHE 100 Cb 0.15 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2wc4 h PHE 100 CO -0.00 0.26 -0.66 1.88 -2.23 0.00 0.00 178.31 177.55 2wc4 h TYR 101 N -0.17 0.00 -0.97 0.41 0.05 -1.34 -3.05 116.97 111.89 2wc4 h TYR 101 Ca 0.01 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2wc4 h TYR 101 Cb 0.23 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.92 2wc4 h TYR 101 CO 0.00 0.66 0.64 -0.91 -1.05 0.00 0.00 178.16 177.50 2wc4 h ASN 102 N 0.00 1.07 -0.56 3.88 2.35 -0.56 0.22 115.58 121.99 2wc4 h ASN 102 Ca -0.01 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2wc4 h ASN 102 Cb 1.22 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 2wc4 h ASN 102 CO 0.09 0.74 0.01 0.03 -1.65 0.00 0.00 177.43 176.65 2wc4 h ARG 103 N 1.24 0.97 -0.24 0.81 3.08 -1.34 -0.06 114.38 118.86 2wc4 h ARG 103 Ca 0.38 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2wc4 h ARG 103 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2wc4 h ARG 103 CO -0.12 0.97 0.12 0.82 -1.07 0.00 0.00 179.97 180.69 2wc4 h ILE 104 N 0.86 1.13 -0.21 2.04 2.04 -1.33 -0.61 117.51 121.43 2wc4 h ILE 104 Ca 0.16 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2wc4 h ILE 104 Cb 0.52 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2wc4 h ILE 104 CO 0.03 0.13 0.14 0.40 0.00 0.00 0.00 178.15 178.85 2wc4 h ILE 105 N 0.26 1.06 -0.71 -0.67 2.04 -0.74 0.25 117.51 118.99 2wc4 h ILE 105 Ca 0.08 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 2wc4 h ILE 105 Cb 0.10 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2wc4 h ILE 105 CO -0.01 0.05 0.25 0.44 0.00 0.00 0.00 178.15 178.88 2wc4 h ASP 106 N 0.29 1.01 -0.16 1.72 3.32 -0.91 -1.85 116.42 119.83 2wc4 h ASP 106 Ca 0.08 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2wc4 h ASP 106 Cb -0.03 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 2wc4 h ASP 106 CO -0.02 0.93 0.03 0.74 -1.72 0.00 0.00 179.24 179.21 2wc4 h THR 107 N 1.03 1.21 -0.60 0.35 2.02 -0.75 0.23 112.91 116.40 2wc4 h THR 107 Ca 0.23 -0.67 0.12 0.00 0.77 0.00 0.00 66.41 66.86 2wc4 h THR 107 Cb 0.26 1.35 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 2wc4 h THR 107 CO -0.01 0.20 -0.01 -0.07 0.37 0.00 0.00 175.52 176.00 2wc4 h LEU 108 N 0.06 -0.29 -0.61 2.58 3.38 -0.77 -1.72 115.31 117.94 2wc4 h LEU 108 Ca 0.05 0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2wc4 h LEU 108 Cb 0.28 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2wc4 h LEU 108 CO 0.00 -0.12 0.01 -0.07 0.09 0.00 0.00 178.44 178.35 2wc4 h LEU 109 N 0.11 1.05 -1.56 1.67 4.07 -0.98 -0.57 115.31 119.10 2wc4 h LEU 109 Ca 0.31 -0.30 0.01 0.00 0.08 0.00 0.00 57.88 57.98 2wc4 h LEU 109 Cb 0.49 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 2wc4 h LEU 109 CO -0.52 1.10 0.31 -0.33 -1.08 0.00 0.00 178.44 177.92 2wc4 h GLU 110 N 0.98 0.58 -0.45 1.13 5.08 -0.52 -2.37 114.58 119.01 2wc4 h GLU 110 Ca 0.17 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wc4 h GLU 110 Cb 0.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2wc4 h GLU 110 CO 0.03 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 180.05 2wc4 n LYS 111 N -4.47 2.22 -0.98 2.33 5.02 -0.57 -4.94 118.16 116.77 2wc4 n LYS 111 Ca 0.04 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 2wc4 n LYS 111 Cb 0.08 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2wc4 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc4 n GLY 112 N 1.36 0.40 3.62 0.72 0.00 -0.73 -4.95 105.19 105.61 2wc4 n GLY 112 Ca 0.18 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 2wc4 n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc4 s ILE 113 N -2.00 4.56 -0.26 -0.61 1.01 -0.33 -4.89 121.20 118.69 2wc4 s ILE 113 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 2wc4 s ILE 113 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2wc4 s ILE 113 CO 0.00 0.49 0.77 -0.89 0.00 0.00 0.00 174.94 175.31 2wc4 s THR 114 N 0.19 4.87 0.16 2.92 2.01 0.19 -4.02 115.64 121.96 2wc4 s THR 114 Ca 0.03 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 2wc4 s THR 114 Cb -0.13 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 2wc4 s THR 114 CO 0.01 -0.08 1.14 -2.16 -0.69 0.00 0.00 174.62 172.84 2wc4 s PRO 115 N 2.77 4.54 -0.25 4.92 0.04 -1.26 -1.65 135.00 144.11 2wc4 s PRO 115 Ca 0.32 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2wc4 s PRO 115 Cb -0.15 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.15 2wc4 s PRO 115 CO 0.09 -0.02 -0.09 -0.06 0.04 0.00 0.00 177.00 176.96 2wc4 s PHE 116 N 0.01 3.14 -0.26 0.56 0.40 0.22 -4.26 117.98 117.80 2wc4 s PHE 116 Ca 0.52 -1.92 -0.13 0.00 -0.60 0.00 0.00 56.93 54.80 2wc4 s PHE 116 Cb -0.30 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2wc4 s PHE 116 CO 0.35 -0.81 0.27 0.08 0.70 0.00 0.00 175.22 175.81 2wc4 s VAL 117 N 1.22 5.26 -0.32 -0.44 1.01 -0.64 -1.43 120.40 125.06 2wc4 s VAL 117 Ca -0.04 0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 2wc4 s VAL 117 Cb -0.18 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2wc4 s VAL 117 CO -0.05 0.24 0.72 -0.89 0.00 0.00 0.00 175.10 175.12 2wc4 s THR 118 N 1.64 4.84 0.14 3.92 2.01 0.12 -0.60 115.64 127.72 2wc4 s THR 118 Ca 0.11 0.96 -0.13 0.00 0.31 0.00 0.00 61.69 62.95 2wc4 s THR 118 Cb -0.15 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2wc4 s THR 118 CO 0.09 -0.25 1.58 0.40 -0.69 0.00 0.00 174.62 175.74 2wc4 h ILE 119 N 5.61 1.27 -3.33 1.82 2.04 -0.99 -2.22 117.51 121.71 2wc4 h ILE 119 Ca -0.25 -1.11 -0.54 0.00 1.00 0.00 0.00 64.86 63.96 2wc4 h ILE 119 Cb 1.10 1.06 -0.40 0.00 -0.74 0.00 0.00 36.82 37.85 2wc4 h ILE 119 CO 0.86 0.38 -0.77 -0.47 0.00 0.00 0.00 178.15 178.15 2wc4 s TYR 120 N -4.94 1.34 -0.42 1.37 5.04 -0.94 -4.41 117.35 114.38 2wc4 s TYR 120 Ca -0.12 -1.11 0.07 0.00 -2.44 0.00 0.00 57.07 53.47 2wc4 s TYR 120 Cb 0.11 -1.19 0.42 0.00 0.35 0.00 0.00 41.96 41.65 2wc4 s TYR 120 CO 0.82 -0.67 1.08 1.58 -1.34 0.00 0.00 175.55 177.02 2wc4 n HIS 121 N 4.96 3.05 -0.01 4.97 -0.00 -1.26 -1.46 115.22 125.47 2wc4 n HIS 121 Ca -0.09 -3.10 0.00 0.00 0.46 0.00 0.00 57.72 54.99 2wc4 n HIS 121 Cb 0.46 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 2wc4 n HIS 121 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2wc4 n TRP 122 N -0.40 0.00 -2.41 1.57 8.01 -1.26 -4.83 117.44 118.12 2wc4 n TRP 122 Ca 0.34 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.11 2wc4 n TRP 122 Cb 0.68 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.98 2wc4 n TRP 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2wc4 n ASP 123 N 0.00 6.23 -4.77 -0.99 5.75 -1.26 -4.69 116.55 116.82 2wc4 n ASP 123 Ca 0.00 -3.22 -0.40 0.00 -0.01 0.00 0.00 54.79 51.15 2wc4 n ASP 123 Cb 0.00 -1.38 0.01 0.00 -1.03 0.00 0.00 41.12 38.72 2wc4 n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2wc4 n LEU 124 N 2.54 5.06 -4.70 -2.12 7.94 -1.26 -4.26 117.00 120.20 2wc4 n LEU 124 Ca 0.43 1.15 -0.44 0.00 -1.11 0.00 0.00 56.01 56.05 2wc4 n LEU 124 Cb 0.32 -1.61 -0.03 0.00 0.53 0.00 0.00 43.42 42.62 2wc4 n LEU 124 CO 0.75 -0.04 1.31 -2.65 -1.11 0.00 0.00 177.39 175.65 2wc4 n PRO 125 N -0.01 2.55 -0.12 1.96 -0.02 -1.26 -0.35 135.00 137.74 2wc4 n PRO 125 Ca 0.04 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.55 2wc4 n PRO 125 Cb 0.41 -2.74 0.46 0.00 -0.02 0.00 0.00 33.50 31.61 2wc4 n PRO 125 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wc4 h PHE 126 N 6.50 0.53 -0.61 6.00 3.57 -1.12 -1.44 116.94 130.38 2wc4 h PHE 126 Ca -0.44 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.15 2wc4 h PHE 126 Cb 1.22 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2wc4 h PHE 126 CO 0.64 0.25 0.40 0.00 -2.23 0.00 0.00 178.31 177.37 2wc4 h ALA 127 N 1.67 1.88 0.00 2.41 0.00 -1.84 -1.31 119.26 122.07 2wc4 h ALA 127 Ca 0.30 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2wc4 h ALA 127 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2wc4 h ALA 127 CO -0.09 0.00 -0.90 -0.07 0.00 0.00 0.00 179.25 178.19 2wc4 h LEU 128 N 0.52 0.00 -1.16 0.00 3.38 -1.51 -3.12 115.31 113.43 2wc4 h LEU 128 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wc4 h LEU 128 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2wc4 h LEU 128 CO -0.08 0.90 0.35 -0.61 0.09 0.00 0.00 178.44 179.09 2wc4 h GLN 129 N 0.00 0.94 0.00 1.13 5.75 -1.04 -0.07 115.11 121.82 2wc4 h GLN 129 Ca -0.01 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2wc4 h GLN 129 Cb 1.67 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.03 2wc4 h GLN 129 CO 0.12 0.70 0.00 -0.07 -2.65 0.00 0.00 178.83 176.93 2wc4 h LEU 130 N 0.94 0.00 -3.14 -2.39 3.38 -1.30 -0.64 115.31 112.17 2wc4 h LEU 130 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2wc4 h LEU 130 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wc4 h LEU 130 CO -0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.78 2wc4 n LYS 131 N -3.07 3.51 0.00 1.13 5.02 -0.60 -4.94 118.16 119.21 2wc4 n LYS 131 Ca -0.03 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 2wc4 n LYS 131 Cb 0.09 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2wc4 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc4 n GLY 132 N 0.73 0.72 7.00 0.72 0.00 -0.25 -4.70 105.19 109.42 2wc4 n GLY 132 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2wc4 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wc4 n GLY 133 N -1.38 3.05 0.00 -0.02 0.00 -0.14 -1.52 105.19 105.18 2wc4 n GLY 133 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.00 2wc4 n GLY 133 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wc4 n TRP 134 N 14.00 0.00 0.34 1.61 7.02 -1.26 -1.79 117.44 137.36 2wc4 n TRP 134 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 2wc4 n TRP 134 Cb 0.00 -0.47 0.21 0.00 -2.42 0.00 0.00 31.31 28.62 2wc4 n TRP 134 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc4 h ALA 135 N 2.34 0.90 -2.59 6.99 0.00 -1.58 -3.33 119.26 121.98 2wc4 h ALA 135 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2wc4 h ALA 135 Cb 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 2wc4 h ALA 135 CO 0.00 0.00 -0.07 1.21 0.00 0.00 0.00 179.25 180.39 2wc4 s ASN 136 N -5.49 6.37 0.42 0.00 3.84 -0.74 -4.86 114.94 114.49 2wc4 s ASN 136 Ca 0.07 0.38 0.25 0.00 0.21 0.00 0.00 52.86 53.77 2wc4 s ASN 136 Cb 0.08 -2.26 1.28 0.00 -0.55 0.00 0.00 41.25 39.80 2wc4 s ASN 136 CO 0.67 -0.30 1.70 0.03 -2.79 0.00 0.00 177.10 176.41 2wc4 h ARG 137 N 8.13 0.22 -0.11 0.43 3.08 -1.87 0.40 114.38 124.66 2wc4 h ARG 137 Ca -0.29 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.77 2wc4 h ARG 137 Cb 1.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 2wc4 h ARG 137 CO 0.71 0.14 0.19 0.93 -1.07 0.00 0.00 179.97 180.88 2wc4 h GLU 138 N 0.22 0.00 -0.11 0.04 4.39 -1.92 -2.78 114.58 114.42 2wc4 h GLU 138 Ca 0.71 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.44 2wc4 h GLU 138 Cb 2.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.72 2wc4 h GLU 138 CO -0.34 0.00 0.14 0.97 -1.16 0.00 0.00 179.01 178.62 2wc4 h ILE 139 N 0.00 0.39 -0.69 3.13 2.10 -1.17 -0.12 117.51 121.15 2wc4 h ILE 139 Ca 0.05 0.00 0.09 0.00 1.08 0.00 0.00 64.86 66.08 2wc4 h ILE 139 Cb 0.44 0.88 -0.07 0.00 -1.09 0.00 0.00 36.82 36.98 2wc4 h ILE 139 CO -0.00 0.00 0.33 0.00 -1.08 0.00 0.00 178.15 177.40 2wc4 h ALA 140 N 1.81 0.95 -0.13 0.18 0.00 -1.73 0.20 119.26 120.55 2wc4 h ALA 140 Ca 0.05 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2wc4 h ALA 140 Cb 0.34 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2wc4 h ALA 140 CO -0.00 -0.07 -0.72 -0.44 0.00 0.00 0.00 179.25 178.01 2wc4 h ASP 141 N 0.57 0.86 -0.45 0.00 3.32 -1.27 -1.87 116.42 117.57 2wc4 h ASP 141 Ca 0.34 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2wc4 h ASP 141 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2wc4 h ASP 141 CO -0.28 1.36 0.30 -0.50 -1.72 0.00 0.00 179.24 178.41 2wc4 h TRP 142 N 0.41 0.57 -0.48 4.55 6.55 -1.15 -1.01 115.95 125.39 2wc4 h TRP 142 Ca -0.05 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.77 2wc4 h TRP 142 Cb 1.36 -0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 29.45 2wc4 h TRP 142 CO 0.10 0.36 0.17 0.35 -1.05 0.00 0.00 178.44 178.37 2wc4 h PHE 143 N 0.61 0.75 -0.65 0.49 3.57 -0.61 -1.63 116.94 119.48 2wc4 h PHE 143 Ca 0.17 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2wc4 h PHE 143 Cb -0.07 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 2wc4 h PHE 143 CO -0.04 0.64 0.22 0.00 -2.23 0.00 0.00 178.31 176.91 2wc4 h ALA 144 N 1.02 1.17 -0.25 2.41 0.00 -1.12 0.18 119.26 122.67 2wc4 h ALA 144 Ca 0.16 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2wc4 h ALA 144 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wc4 h ALA 144 CO -0.01 0.59 -0.50 0.93 0.00 0.00 0.00 179.25 180.25 2wc4 h GLU 145 N 0.95 0.70 0.04 0.00 4.39 -1.00 0.81 114.58 120.47 2wc4 h GLU 145 Ca 0.22 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 2wc4 h GLU 145 Cb 0.24 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2wc4 h GLU 145 CO -0.01 1.04 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.94 2wc4 h TYR 146 N 0.55 -0.05 -0.69 4.33 3.20 -0.99 -2.19 116.97 121.13 2wc4 h TYR 146 Ca 0.02 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2wc4 h TYR 146 Cb 1.06 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2wc4 h TYR 146 CO 0.05 0.19 0.43 0.66 -1.64 0.00 0.00 178.16 177.85 2wc4 h SER 147 N -0.28 0.82 -0.60 -2.11 4.64 -0.57 -2.09 113.55 113.35 2wc4 h SER 147 Ca -0.01 -0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2wc4 h SER 147 Cb 0.26 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 2wc4 h SER 147 CO 0.01 0.62 0.30 -0.09 -0.87 0.00 0.00 176.83 176.79 2wc4 h ARG 148 N 0.95 0.54 -0.51 4.77 2.43 -0.53 0.21 114.38 122.23 2wc4 h ARG 148 Ca 0.25 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2wc4 h ARG 148 Cb -0.06 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 2wc4 h ARG 148 CO -0.05 0.36 0.24 0.28 -1.51 0.00 0.00 179.97 179.28 2wc4 h VAL 149 N 0.55 0.91 -0.39 0.20 2.07 -0.80 0.72 116.25 119.52 2wc4 h VAL 149 Ca 0.28 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 2wc4 h VAL 149 Cb 0.22 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2wc4 h VAL 149 CO -0.21 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.58 2wc4 h LEU 150 N 0.46 0.52 -0.60 2.57 3.38 -0.65 -1.38 115.31 119.61 2wc4 h LEU 150 Ca 0.23 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2wc4 h LEU 150 Cb 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2wc4 h LEU 150 CO -0.19 0.51 0.20 -0.26 0.09 0.00 0.00 178.44 178.79 2wc4 h PHE 151 N 0.49 0.96 -0.37 1.13 0.04 -0.62 0.14 116.94 118.71 2wc4 h PHE 151 Ca 0.13 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 2wc4 h PHE 151 Cb 0.14 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 2wc4 h PHE 151 CO -0.01 0.79 -0.12 0.93 -0.60 0.00 0.00 178.31 179.30 2wc4 h GLU 152 N 0.85 0.65 0.08 1.51 5.08 -0.72 0.39 114.58 122.41 2wc4 h GLU 152 Ca 0.19 -0.20 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 2wc4 h GLU 152 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2wc4 h GLU 152 CO -0.01 0.75 -1.47 -0.91 -1.00 0.00 0.00 179.01 176.37 2wc4 h ASN 153 N 0.59 0.25 -0.00 1.42 2.35 -1.03 -3.41 115.58 115.75 2wc4 h ASN 153 Ca 0.10 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2wc4 h ASN 153 Cb 0.55 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2wc4 h ASN 153 CO 0.03 1.30 -0.08 0.49 -1.65 0.00 0.00 177.43 177.52 2wc4 n PHE 154 N -3.36 0.00 0.34 1.19 3.72 0.48 -4.72 117.46 115.11 2wc4 n PHE 154 Ca -0.14 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.41 2wc4 n PHE 154 Cb 1.03 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 40.15 2wc4 n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wc4 h GLY 155 N 0.39 0.00 2.00 1.37 0.00 -0.98 0.28 103.07 106.13 2wc4 h GLY 155 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2wc4 h GLY 155 CO 0.00 0.00 -0.05 1.29 0.00 0.00 0.00 176.54 177.78 2wc4 h ASP 156 N 0.00 0.00 0.00 0.19 2.03 -1.84 -3.35 116.42 113.45 2wc4 h ASP 156 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2wc4 h ASP 156 Cb 0.47 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2wc4 h ASP 156 CO 0.00 0.05 -1.08 0.54 -1.03 0.00 0.00 179.24 177.72 2wc4 n ARG 157 N -3.85 2.26 -3.22 4.15 1.74 -0.76 -4.97 116.66 112.01 2wc4 n ARG 157 Ca -0.03 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.66 2wc4 n ARG 157 Cb 0.14 -1.03 -0.07 0.00 -1.02 0.00 0.00 32.46 30.47 2wc4 n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wc4 s VAL 158 N -2.03 5.06 -0.35 1.55 1.01 0.01 -4.93 120.40 120.74 2wc4 s VAL 158 Ca -0.01 0.91 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2wc4 s VAL 158 Cb 0.00 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2wc4 s VAL 158 CO 0.04 0.09 0.74 0.29 0.00 0.00 0.00 175.10 176.26 2wc4 n LYS 159 N 5.51 0.52 -3.92 2.72 4.76 -1.26 -4.48 118.16 122.01 2wc4 n LYS 159 Ca -0.04 -0.98 -0.29 0.00 -2.87 0.00 0.00 58.31 54.13 2wc4 n LYS 159 Cb 0.50 -1.06 -0.16 0.00 -1.84 0.00 0.00 35.03 32.46 2wc4 n LYS 159 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2wc4 s ASN 160 N -0.49 3.03 0.06 4.39 0.01 -1.26 -0.34 114.94 120.35 2wc4 s ASN 160 Ca 0.04 -0.75 0.05 0.00 -0.71 0.00 0.00 52.86 51.50 2wc4 s ASN 160 Cb 0.03 -1.01 -0.03 0.00 0.41 0.00 0.00 41.25 40.65 2wc4 s ASN 160 CO 0.04 -0.18 -0.15 0.26 -1.51 0.00 0.00 177.10 175.56 2wc4 s TRP 161 N 1.56 1.31 -0.08 2.20 0.52 -0.50 -1.62 118.94 122.32 2wc4 s TRP 161 Ca -0.00 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.72 2wc4 s TRP 161 Cb -0.16 -0.75 0.02 0.00 -1.15 0.00 0.00 33.47 31.43 2wc4 s TRP 161 CO -0.08 0.06 -0.09 0.42 0.02 0.00 0.00 176.95 177.29 2wc4 s ILE 162 N -1.04 0.98 -0.04 2.03 1.01 0.23 -1.13 121.20 123.24 2wc4 s ILE 162 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 2wc4 s ILE 162 Cb -0.09 -0.96 -0.08 0.00 0.01 0.00 0.00 42.46 41.34 2wc4 s ILE 162 CO 0.02 0.34 0.58 0.71 0.00 0.00 0.00 174.94 176.59 2wc4 h THR 163 N 6.10 0.06 -4.32 2.92 1.35 -1.54 0.60 112.91 118.09 2wc4 h THR 163 Ca -0.31 -0.68 -0.62 0.00 -0.55 0.00 0.00 66.41 64.25 2wc4 h THR 163 Cb 1.15 0.11 -0.30 0.00 -1.73 0.00 0.00 68.15 67.38 2wc4 h THR 163 CO 0.43 0.02 -0.86 -0.76 -0.25 0.00 0.00 175.52 174.10 2wc4 s LEU 164 N -9.06 2.02 -0.36 3.87 1.43 -1.26 -2.22 118.68 113.11 2wc4 s LEU 164 Ca -0.08 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 2wc4 s LEU 164 Cb 0.01 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 2wc4 s LEU 164 CO 0.23 0.24 0.60 0.21 0.23 0.00 0.00 176.35 177.86 2wc4 s ASN 165 N -0.38 6.39 -0.93 2.29 2.47 -0.54 -1.66 114.94 122.58 2wc4 s ASN 165 Ca 0.05 0.08 -0.08 0.00 0.42 0.00 0.00 52.86 53.33 2wc4 s ASN 165 Cb -0.09 -2.31 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 2wc4 s ASN 165 CO 0.00 -0.56 0.74 -0.62 -3.72 0.00 0.00 177.10 172.94 2wc4 n GLU 166 N 5.95 -1.43 0.27 0.43 1.02 0.39 -4.74 120.64 122.52 2wc4 n GLU 166 Ca -0.02 0.92 0.15 0.00 -0.02 0.00 0.00 57.16 58.18 2wc4 n GLU 166 Cb 0.49 -4.48 0.86 0.00 -0.02 0.00 0.00 31.44 28.29 2wc4 n GLU 166 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2wc4 h PRO 167 N -0.68 0.00 -0.78 3.49 0.13 -1.85 -0.74 132.00 131.58 2wc4 h PRO 167 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2wc4 h PRO 167 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2wc4 h PRO 167 CO 0.39 0.00 0.34 2.35 -0.23 0.00 0.00 178.00 180.85 2wc4 h TRP 168 N 0.00 1.16 -0.07 1.56 7.01 -1.92 -1.19 115.95 122.50 2wc4 h TRP 168 Ca 0.02 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 2wc4 h TRP 168 Cb 0.11 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 26.82 2wc4 h TRP 168 CO 0.00 0.86 -0.07 0.28 -2.79 0.00 0.00 178.44 176.72 2wc4 h VAL 169 N 1.11 1.37 -0.67 2.65 2.07 -1.51 0.13 116.25 121.41 2wc4 h VAL 169 Ca 0.26 -1.23 0.13 0.00 0.82 0.00 0.00 66.70 66.69 2wc4 h VAL 169 Cb 0.18 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 31.88 2wc4 h VAL 169 CO -0.03 0.34 0.17 -0.37 0.02 0.00 0.00 177.57 177.70 2wc4 h VAL 170 N -0.26 0.60 0.05 2.57 -1.51 -1.20 0.46 116.25 116.97 2wc4 h VAL 170 Ca 0.01 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2wc4 h VAL 170 Cb 0.58 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 2wc4 h VAL 170 CO 0.02 0.05 -0.03 0.00 -1.23 0.00 0.00 177.57 176.39 2wc4 h ALA 171 N 1.53 -0.07 0.10 5.19 0.00 -1.12 -3.11 119.26 121.79 2wc4 h ALA 171 Ca 0.36 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2wc4 h ALA 171 Cb 0.57 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2wc4 h ALA 171 CO -0.44 -0.12 -0.82 0.82 0.00 0.00 0.00 179.25 178.69 2wc4 h ILE 172 N -0.91 1.43 -0.05 0.00 1.08 -0.69 0.63 117.51 119.01 2wc4 h ILE 172 Ca -0.01 -2.46 -0.17 0.00 -0.39 0.00 0.00 64.86 61.83 2wc4 h ILE 172 Cb 0.62 3.09 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 2wc4 h ILE 172 CO 0.01 0.67 -0.72 0.58 -0.69 0.00 0.00 178.15 178.01 2wc4 h VAL 173 N -0.50 1.42 0.00 1.67 2.07 -1.03 0.37 116.25 120.25 2wc4 h VAL 173 Ca -0.16 -2.21 -0.18 0.00 0.82 0.00 0.00 66.70 64.97 2wc4 h VAL 173 Cb 1.54 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 2wc4 h VAL 173 CO 0.09 0.65 -0.86 1.23 0.02 0.00 0.00 177.57 178.70 2wc4 h GLY 174 N 1.53 0.00 0.00 2.17 0.00 -1.33 -1.91 103.07 103.53 2wc4 h GLY 174 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2wc4 h GLY 174 CO 0.11 0.00 -0.03 1.42 0.00 0.00 0.00 176.54 178.05 2wc4 n HIS 175 N -3.31 0.00 -0.06 5.60 8.25 0.21 -1.82 115.22 124.10 2wc4 n HIS 175 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2wc4 n HIS 175 Cb 0.88 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.95 2wc4 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wc4 n LEU 176 N -0.67 1.17 0.18 2.41 7.94 -0.04 -0.88 117.00 127.12 2wc4 n LEU 176 Ca 0.00 0.19 0.07 0.00 -1.11 0.00 0.00 56.01 55.17 2wc4 n LEU 176 Cb 0.00 -0.46 0.20 0.00 0.53 0.00 0.00 43.42 43.69 2wc4 n LEU 176 CO 0.00 0.06 0.65 1.88 -1.11 0.00 0.00 177.39 178.88 2wc4 h TYR 177 N -0.52 0.00 -0.22 1.96 0.05 -1.26 -3.39 116.97 113.60 2wc4 h TYR 177 Ca -0.26 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.42 2wc4 h TYR 177 Cb 1.08 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 2wc4 h TYR 177 CO -0.10 0.30 -0.09 0.41 -1.05 0.00 0.00 178.16 177.63 2wc4 n GLY 178 N 0.87 0.63 0.12 3.88 0.00 -0.79 -4.89 105.19 105.00 2wc4 n GLY 178 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.88 2wc4 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wc4 h VAL 179 N 0.00 1.00 -2.04 1.61 2.07 -1.66 -3.40 116.25 113.83 2wc4 h VAL 179 Ca -0.10 -2.43 -0.60 0.00 0.82 0.00 0.00 66.70 64.40 2wc4 h VAL 179 Cb 0.68 2.48 -0.12 0.00 -1.52 0.00 0.00 31.29 32.81 2wc4 h VAL 179 CO 0.14 0.57 -0.67 -1.00 0.02 0.00 0.00 177.57 176.63 2wc4 s HIS 180 N -2.91 2.47 0.32 1.57 3.76 -1.05 -4.71 115.29 114.74 2wc4 s HIS 180 Ca 0.03 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.27 2wc4 s HIS 180 Cb 0.08 -1.29 -0.13 0.00 1.11 0.00 0.00 32.58 32.35 2wc4 s HIS 180 CO 0.76 0.59 1.23 0.00 -0.85 0.00 0.00 174.74 176.46 2wc4 n ALA 181 N -0.82 0.91 0.07 -1.40 0.00 -1.26 -0.10 120.51 117.91 2wc4 n ALA 181 Ca -0.05 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.81 2wc4 n ALA 181 Cb 0.61 -2.20 0.23 0.00 0.00 0.00 0.00 19.45 18.10 2wc4 n ALA 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wc4 n PRO 182 N 0.65 2.98 -2.65 0.00 -0.04 -1.24 -4.54 135.00 130.16 2wc4 n PRO 182 Ca 0.06 -1.79 -0.05 0.00 -0.04 0.00 0.00 63.50 61.68 2wc4 n PRO 182 Cb 0.35 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 2wc4 n PRO 182 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wc4 n GLY 183 N 0.58 0.57 3.75 0.55 0.00 0.86 -5.04 105.19 106.47 2wc4 n GLY 183 Ca 0.16 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2wc4 n GLY 183 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wc4 s MET 184 N -5.14 2.54 -0.57 1.61 0.23 -0.75 -4.74 119.30 112.48 2wc4 s MET 184 Ca 0.11 -1.36 0.04 0.00 -1.03 0.00 0.00 55.69 53.46 2wc4 s MET 184 Cb -0.05 -2.31 0.17 0.00 -1.53 0.00 0.00 34.83 31.11 2wc4 s MET 184 CO 0.14 0.24 0.42 1.03 -2.03 0.00 0.00 175.02 174.81 2wc4 s ARG 185 N -3.83 1.74 -0.12 3.16 0.52 -1.23 -1.89 118.95 117.30 2wc4 s ARG 185 Ca 0.36 -2.76 -0.04 0.00 -0.52 0.00 0.00 55.73 52.76 2wc4 s ARG 185 Cb -0.05 -2.51 0.06 0.00 0.52 0.00 0.00 34.95 32.97 2wc4 s ARG 185 CO 0.23 -1.33 0.24 0.34 0.02 0.00 0.00 175.30 174.80 2wc4 s ASP 186 N -0.73 0.43 0.31 0.23 -1.08 -0.06 -4.95 116.67 110.82 2wc4 s ASP 186 Ca 0.28 0.54 0.16 0.00 -0.52 0.00 0.00 52.55 53.00 2wc4 s ASP 186 Cb -0.02 0.60 0.41 0.00 -1.46 0.00 0.00 42.92 42.46 2wc4 s ASP 186 CO -0.17 -0.24 1.61 -0.29 0.52 0.00 0.00 175.17 176.59 2wc4 h ILE 187 N 6.30 1.04 -0.29 4.11 2.10 -1.92 -0.08 117.51 128.76 2wc4 h ILE 187 Ca -0.14 -1.95 -0.17 0.00 1.08 0.00 0.00 64.86 63.67 2wc4 h ILE 187 Cb 1.11 2.16 -0.00 0.00 -1.09 0.00 0.00 36.82 39.00 2wc4 h ILE 187 CO 0.14 0.49 -0.49 1.88 -1.08 0.00 0.00 178.15 179.09 2wc4 h TYR 188 N 0.00 1.00 -0.29 2.19 -1.99 -1.94 -2.38 116.97 113.55 2wc4 h TYR 188 Ca -0.01 -0.33 -0.19 0.00 2.00 0.00 0.00 58.73 60.20 2wc4 h TYR 188 Cb 1.12 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.66 2wc4 h TYR 188 CO 0.00 1.13 -0.55 -0.39 -0.00 0.00 0.00 178.16 178.35 2wc4 h VAL 189 N 0.64 1.27 -0.92 -2.88 -1.51 -1.81 -2.42 116.25 108.62 2wc4 h VAL 189 Ca 0.03 -1.73 0.03 0.00 -1.23 0.00 0.00 66.70 63.80 2wc4 h VAL 189 Cb 1.07 1.62 -0.05 0.00 -2.13 0.00 0.00 31.29 31.80 2wc4 h VAL 189 CO 0.11 0.57 0.60 0.00 -1.23 0.00 0.00 177.57 177.61 2wc4 h ALA 190 N 0.68 1.21 0.00 5.19 0.00 -0.90 0.54 119.26 125.98 2wc4 h ALA 190 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2wc4 h ALA 190 Cb 1.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2wc4 h ALA 190 CO 0.12 0.48 -0.65 0.74 0.00 0.00 0.00 179.25 179.94 2wc4 h PHE 191 N 1.18 0.00 -0.40 0.00 0.04 -1.42 -1.53 116.94 114.80 2wc4 h PHE 191 Ca 0.36 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.08 2wc4 h PHE 191 Cb -0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2wc4 h PHE 191 CO -0.01 0.65 0.00 0.00 -0.60 0.00 0.00 178.31 178.35 2wc4 h ARG 192 N 0.00 0.63 -0.70 1.51 3.08 -0.85 -2.14 114.38 115.91 2wc4 h ARG 192 Ca -0.01 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 2wc4 h ARG 192 Cb 1.40 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 2wc4 h ARG 192 CO 0.08 0.65 0.23 0.00 -1.07 0.00 0.00 179.97 179.86 2wc4 h ALA 193 N 1.41 0.92 -0.47 0.04 0.00 -0.57 0.21 119.26 120.80 2wc4 h ALA 193 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wc4 h ALA 193 Cb 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wc4 h ALA 193 CO 0.01 0.59 0.29 0.28 0.00 0.00 0.00 179.25 180.42 2wc4 h VAL 194 N 1.03 1.15 -0.24 0.00 2.07 -0.99 -0.10 116.25 119.16 2wc4 h VAL 194 Ca 0.23 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 2wc4 h VAL 194 Cb 0.29 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2wc4 h VAL 194 CO -0.01 0.15 -0.29 -0.74 0.02 0.00 0.00 177.57 176.70 2wc4 h HIS 195 N 0.63 0.76 -0.42 1.57 6.17 -1.09 -2.50 115.15 120.27 2wc4 h HIS 195 Ca 0.17 -0.24 -0.07 0.00 0.71 0.00 0.00 60.37 60.94 2wc4 h HIS 195 Cb -0.01 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 2wc4 h HIS 195 CO -0.03 0.97 -0.03 -0.91 0.71 0.00 0.00 177.93 178.64 2wc4 h ASN 196 N 0.33 0.67 -0.23 3.26 2.35 -0.84 -1.46 115.58 119.66 2wc4 h ASN 196 Ca 0.03 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2wc4 h ASN 196 Cb 0.86 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 2wc4 h ASN 196 CO 0.07 0.76 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.45 2wc4 h LEU 197 N 0.65 -0.31 -0.54 1.61 4.07 -0.91 0.15 115.31 120.03 2wc4 h LEU 197 Ca 0.13 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.18 2wc4 h LEU 197 Cb 0.44 0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 2wc4 h LEU 197 CO 0.02 -0.12 0.35 -0.07 -1.08 0.00 0.00 178.44 177.55 2wc4 h LEU 198 N -0.05 0.61 -0.54 1.67 3.38 -1.15 -0.24 115.31 118.99 2wc4 h LEU 198 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wc4 h LEU 198 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2wc4 h LEU 198 CO -0.27 0.44 0.26 0.03 0.09 0.00 0.00 178.44 178.98 2wc4 h ARG 199 N 0.72 0.78 -0.02 1.13 3.08 -1.03 -0.44 114.38 118.60 2wc4 h ARG 199 Ca 0.20 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wc4 h ARG 199 Cb -0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2wc4 h ARG 199 CO -0.05 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 2wc4 h ALA 200 N 1.09 0.02 -0.60 0.04 0.00 -0.54 -1.66 119.26 117.63 2wc4 h ALA 200 Ca 0.18 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2wc4 h ALA 200 Cb 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 2wc4 h ALA 200 CO -0.02 -0.33 0.13 1.25 0.00 0.00 0.00 179.25 180.28 2wc4 h HIS 201 N -0.25 0.21 -0.41 0.00 -0.00 -0.96 -0.68 115.15 113.07 2wc4 h HIS 201 Ca 0.01 0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 2wc4 h HIS 201 Cb 0.29 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2wc4 h HIS 201 CO 0.02 -0.02 -0.12 0.00 -0.00 0.00 0.00 177.93 177.81 2wc4 h ALA 202 N 1.47 1.03 -0.61 5.26 0.00 -0.97 -1.67 119.26 123.77 2wc4 h ALA 202 Ca 0.31 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2wc4 h ALA 202 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wc4 h ALA 202 CO -0.39 0.59 0.00 -0.09 0.00 0.00 0.00 179.25 179.36 2wc4 h ARG 203 N 0.66 1.07 -0.87 0.00 9.65 -0.89 -1.70 114.38 122.30 2wc4 h ARG 203 Ca 0.11 -0.34 -0.03 0.00 -1.10 0.00 0.00 59.98 58.63 2wc4 h ARG 203 Cb 0.58 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2wc4 h ARG 203 CO 0.04 1.04 0.44 0.00 2.80 0.00 0.00 179.97 184.29 2wc4 h ALA 204 N 0.99 1.13 -0.62 2.80 0.00 -0.85 -1.55 119.26 121.15 2wc4 h ALA 204 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wc4 h ALA 204 Cb 0.56 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wc4 h ALA 204 CO 0.03 0.67 0.31 0.28 0.00 0.00 0.00 179.25 180.54 2wc4 h VAL 205 N 1.24 1.21 -0.49 0.00 2.07 -0.96 -0.09 116.25 119.23 2wc4 h VAL 205 Ca 0.30 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2wc4 h VAL 205 Cb 0.08 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2wc4 h VAL 205 CO -0.04 0.24 0.15 0.50 0.02 0.00 0.00 177.57 178.44 2wc4 h LYS 206 N 0.84 0.31 -0.41 1.57 3.64 -0.84 -1.54 116.57 120.14 2wc4 h LYS 206 Ca 0.21 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2wc4 h LYS 206 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2wc4 h LYS 206 CO -0.03 0.20 -0.13 0.28 -2.27 0.00 0.00 179.45 177.50 2wc4 h VAL 207 N 0.32 1.26 -0.59 2.00 2.07 -1.09 -2.43 116.25 117.79 2wc4 h VAL 207 Ca 0.24 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2wc4 h VAL 207 Cb 0.27 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2wc4 h VAL 207 CO -0.26 0.40 0.29 0.15 0.02 0.00 0.00 177.57 178.17 2wc4 h PHE 208 N 0.68 0.52 0.00 1.57 3.57 -0.35 -1.85 116.94 121.09 2wc4 h PHE 208 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2wc4 h PHE 208 Cb 0.61 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2wc4 h PHE 208 CO 0.03 0.22 -0.08 0.00 -2.23 0.00 0.00 178.31 176.25 2wc4 h ARG 209 N 0.54 0.00 0.00 1.11 2.47 -0.79 -0.47 114.38 117.24 2wc4 h ARG 209 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2wc4 h ARG 209 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2wc4 h ARG 209 CO -0.21 0.08 -0.42 0.39 0.56 0.00 0.00 179.97 180.37 2wc4 n GLU 210 N -3.35 0.12 0.00 0.04 1.02 -0.73 -4.60 120.64 113.13 2wc4 n GLU 210 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2wc4 n GLU 210 Cb 0.25 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2wc4 n GLU 210 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2wc4 n THR 211 N -1.76 0.00 -5.03 2.62 5.66 -0.37 -5.03 114.28 110.38 2wc4 n THR 211 Ca 0.05 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.75 2wc4 n THR 211 Cb 0.38 -0.43 -0.17 0.00 -1.55 0.00 0.00 70.33 68.56 2wc4 n THR 211 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wc4 s VAL 212 N -1.53 1.77 -0.01 1.08 1.01 -0.33 -4.82 120.40 117.57 2wc4 s VAL 212 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2wc4 s VAL 212 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2wc4 s VAL 212 CO 0.00 0.50 0.11 -0.54 0.00 0.00 0.00 175.10 175.17 2wc4 s LYS 213 N 0.38 3.20 -1.27 2.72 -0.14 -1.26 -4.45 119.74 118.92 2wc4 s LYS 213 Ca -0.16 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 2wc4 s LYS 213 Cb -0.17 -2.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 2wc4 s LYS 213 CO 0.07 0.66 0.00 -0.25 -0.76 0.00 0.00 175.35 175.07 2wc4 n ASP 214 N 1.15 -4.38 -4.67 2.83 8.00 -1.26 -4.99 116.55 113.23 2wc4 n ASP 214 Ca -0.13 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 2wc4 n ASP 214 Cb 0.53 -3.39 -0.07 0.00 -0.02 0.00 0.00 41.12 38.16 2wc4 n ASP 214 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wc4 s GLY 215 N -2.55 1.87 0.00 0.44 0.00 -1.26 -4.90 107.32 100.93 2wc4 s GLY 215 Ca 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 42.97 2wc4 s GLY 215 CO 0.00 -1.79 -0.15 0.54 0.00 0.00 0.00 173.10 171.70 2wc4 s LYS 216 N -3.74 1.18 0.01 2.90 1.02 0.54 -5.03 119.74 116.62 2wc4 s LYS 216 Ca 0.34 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2wc4 s LYS 216 Cb -0.03 -1.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 2wc4 s LYS 216 CO 0.21 0.31 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.38 2wc4 s ILE 217 N -0.51 0.52 0.00 2.17 2.07 -1.26 -1.40 121.20 122.79 2wc4 s ILE 217 Ca 0.05 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 2wc4 s ILE 217 Cb -0.07 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.04 2wc4 s ILE 217 CO 0.00 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2wc4 n GLY 218 N 2.48 3.96 3.29 1.50 0.00 -0.28 -0.63 105.19 115.51 2wc4 n GLY 218 Ca -0.16 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 2wc4 n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wc4 s ILE 219 N -1.96 0.05 -0.10 -0.61 2.07 -1.24 -1.43 121.20 117.98 2wc4 s ILE 219 Ca 0.00 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 2wc4 s ILE 219 Cb 0.00 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 2wc4 s ILE 219 CO 0.00 -0.21 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.02 2wc4 s VAL 220 N -1.27 3.28 0.01 4.00 1.01 -0.67 -0.42 120.40 126.35 2wc4 s VAL 220 Ca -0.13 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2wc4 s VAL 220 Cb -0.04 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2wc4 s VAL 220 CO 0.05 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.16 2wc4 s PHE 221 N -0.18 1.65 0.48 5.22 0.08 -0.25 -0.46 117.98 124.52 2wc4 s PHE 221 Ca 0.01 -0.34 -0.20 0.00 0.12 0.00 0.00 56.93 56.52 2wc4 s PHE 221 Cb -0.13 -1.02 -0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2wc4 s PHE 221 CO 0.03 0.03 1.02 0.54 -0.10 0.00 0.00 175.22 176.74 2wc4 s ASN 222 N -0.81 6.42 -0.11 1.36 4.22 -1.26 -0.47 114.94 124.29 2wc4 s ASN 222 Ca 0.07 1.88 -0.11 0.00 -2.14 0.00 0.00 52.86 52.55 2wc4 s ASN 222 Cb -0.08 -2.55 0.03 0.00 1.28 0.00 0.00 41.25 39.93 2wc4 s ASN 222 CO 0.01 -0.73 0.31 0.20 -2.04 0.00 0.00 177.10 174.85 2wc4 s ASN 223 N -2.07 -0.32 0.20 3.54 0.01 -0.95 -4.12 114.94 111.23 2wc4 s ASN 223 Ca 0.66 0.60 0.09 0.00 -0.71 0.00 0.00 52.86 53.50 2wc4 s ASN 223 Cb -0.15 0.62 -0.04 0.00 0.41 0.00 0.00 41.25 42.09 2wc4 s ASN 223 CO 0.20 -0.13 -0.10 -0.83 -1.51 0.00 0.00 177.10 174.73 2wc4 s GLY 224 N 0.08 1.73 -0.58 0.66 0.00 -1.26 -4.26 107.32 103.68 2wc4 s GLY 224 Ca -0.01 -1.54 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 2wc4 s GLY 224 CO 0.01 -1.57 0.73 -0.47 0.00 0.00 0.00 173.10 171.80 2wc4 s TYR 225 N -1.85 2.95 -0.10 1.90 5.04 -0.67 -4.96 117.35 119.66 2wc4 s TYR 225 Ca 0.26 -0.78 -0.17 0.00 -2.44 0.00 0.00 57.07 53.94 2wc4 s TYR 225 Cb -0.08 -3.95 -0.05 0.00 0.35 0.00 0.00 41.96 38.23 2wc4 s TYR 225 CO 0.15 -1.29 0.44 -0.06 -1.34 0.00 0.00 175.55 173.45 2wc4 s PHE 226 N 2.92 3.56 0.08 4.97 0.08 -1.26 -0.61 117.98 127.71 2wc4 s PHE 226 Ca 0.14 0.88 0.07 0.00 0.12 0.00 0.00 56.93 58.14 2wc4 s PHE 226 Cb -0.22 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 2wc4 s PHE 226 CO 0.08 0.28 -0.18 -1.21 -0.10 0.00 0.00 175.22 174.09 2wc4 s GLU 227 N 0.22 1.06 0.28 0.44 2.02 0.02 -4.96 118.70 117.79 2wc4 s GLU 227 Ca 0.24 -1.02 -0.27 0.00 0.02 0.00 0.00 54.97 53.94 2wc4 s GLU 227 Cb -0.15 -1.20 -0.09 0.00 0.10 0.00 0.00 34.13 32.78 2wc4 s GLU 227 CO 0.10 0.29 0.92 -1.25 0.02 0.00 0.00 175.26 175.34 2wc4 s PRO 228 N -1.63 4.67 0.46 0.39 0.04 -1.26 -0.40 135.00 137.27 2wc4 s PRO 228 Ca 0.04 1.36 0.19 0.00 0.04 0.00 0.00 61.00 62.63 2wc4 s PRO 228 Cb -0.09 -3.01 1.12 0.00 0.04 0.00 0.00 34.50 32.56 2wc4 s PRO 228 CO 0.03 0.39 1.99 0.00 0.04 0.00 0.00 177.00 179.45 2wc4 h ALA 229 N 3.61 1.49 -2.94 8.56 0.00 -1.42 -3.45 119.26 125.11 2wc4 h ALA 229 Ca -0.46 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 2wc4 h ALA 229 Cb 1.20 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2wc4 h ALA 229 CO 0.66 0.24 0.02 -1.54 0.00 0.00 0.00 179.25 178.63 2wc4 s SER 230 N -6.68 0.30 0.00 0.00 1.04 -1.26 -5.02 113.70 102.07 2wc4 s SER 230 Ca -0.03 -1.18 0.15 0.00 0.48 0.00 0.00 55.95 55.36 2wc4 s SER 230 Cb 0.15 0.72 0.78 0.00 0.10 0.00 0.00 66.02 67.77 2wc4 s SER 230 CO 0.66 -1.40 1.52 -1.84 0.98 0.00 0.00 173.24 173.15 2wc4 n GLU 231 N -0.51 1.14 -1.96 4.02 0.00 -1.26 -4.44 120.64 117.63 2wc4 n GLU 231 Ca -0.03 -0.21 -0.42 0.00 0.00 0.00 0.00 57.16 56.50 2wc4 n GLU 231 Cb 0.61 -1.24 -0.02 0.00 0.00 0.00 0.00 31.44 30.78 2wc4 n GLU 231 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2wc4 s LYS 232 N -1.95 4.23 0.15 3.44 1.02 -1.26 -4.82 119.74 120.56 2wc4 s LYS 232 Ca 0.22 2.35 -0.25 0.00 0.02 0.00 0.00 55.97 58.31 2wc4 s LYS 232 Cb 0.11 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2wc4 s LYS 232 CO 0.17 -0.50 1.37 0.39 -0.92 0.00 0.00 175.35 175.86 2wc4 n GLU 233 N 2.78 -0.35 0.32 1.68 1.02 -1.26 -0.15 120.64 124.67 2wc4 n GLU 233 Ca 0.09 1.34 0.20 0.00 -0.02 0.00 0.00 57.16 58.77 2wc4 n GLU 233 Cb 0.39 -1.98 1.08 0.00 -0.02 0.00 0.00 31.44 30.92 2wc4 n GLU 233 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2wc4 h GLU 234 N 0.00 0.00 0.19 3.49 9.09 -1.96 -0.31 114.58 125.07 2wc4 h GLU 234 Ca 0.17 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.26 2wc4 h GLU 234 Cb 0.40 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.51 2wc4 h GLU 234 CO -0.84 0.01 -1.51 -0.44 0.05 0.00 0.00 179.01 176.27 2wc4 h ASP 235 N 0.00 0.62 -0.61 3.06 3.32 -0.85 -2.47 116.42 119.50 2wc4 h ASP 235 Ca -0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 57.03 56.29 2wc4 h ASP 235 Cb 0.07 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2wc4 h ASP 235 CO 0.00 1.61 0.35 0.40 -1.72 0.00 0.00 179.24 179.88 2wc4 h ILE 236 N 0.11 1.19 -0.59 0.35 1.08 -0.59 -1.47 117.51 117.59 2wc4 h ILE 236 Ca -0.25 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 63.74 2wc4 h ILE 236 Cb 2.09 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 2wc4 h ILE 236 CO 0.22 0.20 0.20 -0.09 -0.69 0.00 0.00 178.15 177.98 2wc4 h ARG 237 N 0.82 0.90 -0.96 2.37 2.43 -1.21 -1.27 114.38 117.46 2wc4 h ARG 237 Ca 0.22 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2wc4 h ARG 237 Cb 0.01 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 2wc4 h ARG 237 CO -0.04 0.79 0.62 0.00 -1.51 0.00 0.00 179.97 179.84 2wc4 h ALA 238 N 1.06 1.33 -0.44 2.80 0.00 -1.08 0.18 119.26 123.11 2wc4 h ALA 238 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2wc4 h ALA 238 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wc4 h ALA 238 CO -0.01 0.42 0.09 0.28 0.00 0.00 0.00 179.25 180.03 2wc4 h VAL 239 N 1.14 1.24 -0.79 0.00 2.07 -0.54 -1.47 116.25 117.90 2wc4 h VAL 239 Ca 0.41 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2wc4 h VAL 239 Cb 0.14 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2wc4 h VAL 239 CO -0.16 0.30 0.36 0.03 0.02 0.00 0.00 177.57 178.11 2wc4 h ARG 240 N 0.58 1.14 0.00 1.57 3.08 -0.22 -1.06 114.38 119.47 2wc4 h ARG 240 Ca 0.14 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wc4 h ARG 240 Cb 0.35 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wc4 h ARG 240 CO 0.00 0.89 -0.00 0.35 -1.07 0.00 0.00 179.97 180.15 2wc4 h PHE 241 N 1.13 -0.00 -0.90 3.04 3.57 -0.80 -0.26 116.94 122.71 2wc4 h PHE 241 Ca 0.27 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2wc4 h PHE 241 Cb 0.14 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2wc4 h PHE 241 CO 0.02 0.07 0.58 0.52 -2.23 0.00 0.00 178.31 177.26 2wc4 h MET 242 N -0.07 1.20 -0.43 1.11 2.86 -0.89 0.11 114.93 118.81 2wc4 h MET 242 Ca -0.00 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2wc4 h MET 242 Cb 0.07 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2wc4 h MET 242 CO 0.00 0.81 0.09 1.25 1.06 0.00 0.00 176.91 180.11 2wc4 h HIS 243 N 1.23 0.75 -0.00 -0.22 -0.00 -0.93 0.23 115.15 116.19 2wc4 h HIS 243 Ca 0.33 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.37 60.46 2wc4 h HIS 243 Cb -0.11 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.07 2wc4 h HIS 243 CO 0.00 0.71 -0.66 1.96 -0.00 0.00 0.00 177.93 179.95 2wc4 h GLN 244 N 0.57 0.02 0.07 5.26 4.20 -0.48 -2.38 115.11 122.37 2wc4 h GLN 244 Ca 0.13 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.51 2wc4 h GLN 244 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2wc4 h GLN 244 CO 0.01 0.67 -1.75 0.34 -0.67 0.00 0.00 178.83 177.42 2wc4 n PHE 245 N -3.77 1.07 0.06 2.96 7.35 0.34 -2.27 117.46 123.20 2wc4 n PHE 245 Ca -0.01 0.31 0.06 0.00 -0.76 0.00 0.00 57.45 57.05 2wc4 n PHE 245 Cb 0.65 -1.13 -0.05 0.00 0.35 0.00 0.00 39.48 39.30 2wc4 n PHE 245 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2wc4 n ASN 246 N -3.88 0.78 -3.30 -2.13 2.85 0.79 -4.66 115.26 105.71 2wc4 n ASN 246 Ca -0.34 0.32 -0.10 0.00 -0.11 0.00 0.00 54.58 54.35 2wc4 n ASN 246 Cb 0.90 0.43 0.01 0.00 1.24 0.00 0.00 39.78 42.36 2wc4 n ASN 246 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2wc4 n ASN 247 N -2.75 1.39 -0.16 1.20 3.02 -0.90 -4.57 115.26 112.50 2wc4 n ASN 247 Ca -0.06 -1.78 0.29 0.00 -0.03 0.00 0.00 54.58 53.01 2wc4 n ASN 247 Cb 0.70 -0.10 0.71 0.00 -0.61 0.00 0.00 39.78 40.48 2wc4 n ASN 247 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wc4 h TYR 248 N 0.32 0.00 0.00 3.10 -0.00 -1.80 -2.91 116.97 115.69 2wc4 h TYR 248 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.58 2wc4 h TYR 248 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.30 2wc4 h TYR 248 CO 0.00 0.00 -0.04 -1.35 -0.00 0.00 0.00 178.16 176.77 2wc4 h PRO 249 N 0.00 0.00 -0.79 0.10 0.11 -1.79 0.24 132.00 129.87 2wc4 h PRO 249 Ca 0.42 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.71 2wc4 h PRO 249 Cb 1.87 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.93 2wc4 h PRO 249 CO -0.00 0.04 0.53 1.25 -0.21 0.00 0.00 178.00 179.61 2wc4 h LEU 250 N 0.00 0.30 0.00 2.35 5.85 -1.24 0.11 115.31 122.68 2wc4 h LEU 250 Ca -0.00 0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.46 2wc4 h LEU 250 Cb 0.08 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2wc4 h LEU 250 CO 0.01 0.14 -2.06 0.49 -0.34 0.00 0.00 178.44 176.67 2wc4 n PHE 251 N -4.45 0.00 0.19 1.25 3.72 -0.59 -4.46 117.46 113.12 2wc4 n PHE 251 Ca 0.16 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.63 2wc4 n PHE 251 Cb 0.65 -0.74 0.27 0.00 -0.94 0.00 0.00 39.48 38.71 2wc4 n PHE 251 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wc4 h LEU 252 N 0.00 0.00 -0.28 4.37 3.38 -0.41 -2.12 115.31 120.25 2wc4 h LEU 252 Ca -0.42 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2wc4 h LEU 252 Cb 1.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2wc4 h LEU 252 CO -0.03 0.29 -0.08 -1.13 0.09 0.00 0.00 178.44 177.59 2wc4 h ASN 253 N 0.00 0.56 -0.11 -0.43 -1.24 -0.99 0.63 115.58 114.00 2wc4 h ASN 253 Ca -0.00 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2wc4 h ASN 253 Cb 1.01 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 2wc4 h ASN 253 CO 0.04 0.80 0.07 -0.65 -1.29 0.00 0.00 177.43 176.40 2wc4 h PRO 254 N 0.31 0.15 -0.43 6.67 0.11 -1.19 0.18 132.00 137.80 2wc4 h PRO 254 Ca 0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 2wc4 h PRO 254 Cb 0.56 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 2wc4 h PRO 254 CO 0.03 0.12 0.14 0.82 -0.21 0.00 0.00 178.00 178.90 2wc4 h ILE 255 N 0.14 1.21 0.00 4.15 2.04 -1.26 0.50 117.51 124.29 2wc4 h ILE 255 Ca 0.04 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 65.03 2wc4 h ILE 255 Cb 0.00 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2wc4 h ILE 255 CO -0.01 0.25 -1.56 -1.22 0.00 0.00 0.00 178.15 175.62 2wc4 n TYR 256 N -4.58 0.79 -0.05 1.37 4.01 0.20 -4.40 117.16 114.50 2wc4 n TYR 256 Ca 0.00 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 2wc4 n TYR 256 Cb 0.17 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 2wc4 n TYR 256 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wc4 n ARG 257 N -2.81 3.72 -1.11 -0.72 1.74 0.53 -5.05 116.66 112.97 2wc4 n ARG 257 Ca -0.11 -0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 56.79 2wc4 n ARG 257 Cb 0.84 -0.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.67 2wc4 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wc4 n GLY 258 N 0.57 0.66 3.57 -0.13 0.00 0.17 -4.94 105.19 105.09 2wc4 n GLY 258 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2wc4 n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wc4 s ASP 259 N -2.77 -0.36 0.77 1.61 -1.08 -1.22 -4.84 116.67 108.78 2wc4 s ASP 259 Ca 0.00 -0.36 -0.13 0.00 -0.52 0.00 0.00 52.55 51.55 2wc4 s ASP 259 Cb 0.00 0.62 0.06 0.00 -1.46 0.00 0.00 42.92 42.14 2wc4 s ASP 259 CO 0.00 -1.10 1.14 -0.31 0.52 0.00 0.00 175.17 175.42 2wc4 s TYR 260 N -3.85 2.22 0.64 -5.34 2.02 -1.26 -1.32 117.35 110.47 2wc4 s TYR 260 Ca 0.07 1.62 -0.18 0.00 -0.37 0.00 0.00 57.07 58.22 2wc4 s TYR 260 Cb -0.02 -3.26 -0.01 0.00 -0.40 0.00 0.00 41.96 38.27 2wc4 s TYR 260 CO -0.04 -2.23 1.23 -2.14 -1.57 0.00 0.00 175.55 170.80 2wc4 s PRO 261 N -4.38 2.65 0.16 -1.71 0.02 -1.26 -4.80 135.00 125.69 2wc4 s PRO 261 Ca 0.67 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 2wc4 s PRO 261 Cb -0.23 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.51 2wc4 s PRO 261 CO 0.50 -1.47 1.68 1.49 -0.33 0.00 0.00 177.00 178.87 2wc4 h GLU 262 N 0.49 0.03 0.00 5.54 4.81 -1.98 -1.59 114.58 121.89 2wc4 h GLU 262 Ca -0.50 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 2wc4 h GLU 262 Cb 1.31 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2wc4 h GLU 262 CO 0.53 0.02 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.29 2wc4 h LEU 263 N 0.03 0.00 -0.47 1.64 3.38 -1.96 -1.78 115.31 116.14 2wc4 h LEU 263 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2wc4 h LEU 263 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2wc4 h LEU 263 CO -0.37 0.47 0.06 0.58 0.09 0.00 0.00 178.44 179.27 2wc4 h VAL 264 N 0.00 1.25 -0.57 1.22 2.07 -1.70 -2.59 116.25 115.93 2wc4 h VAL 264 Ca -0.00 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 2wc4 h VAL 264 Cb 0.86 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2wc4 h VAL 264 CO 0.06 0.33 0.09 -0.07 0.02 0.00 0.00 177.57 178.01 2wc4 h LEU 265 N 0.66 0.91 -1.07 2.57 4.07 -0.96 0.29 115.31 121.78 2wc4 h LEU 265 Ca 0.14 -0.26 0.13 0.00 0.08 0.00 0.00 57.88 57.97 2wc4 h LEU 265 Cb 0.41 -0.24 -0.08 0.00 1.08 0.00 0.00 40.66 41.83 2wc4 h LEU 265 CO 0.01 0.94 0.62 -0.33 -1.08 0.00 0.00 178.44 178.60 2wc4 h GLU 266 N 0.85 0.89 0.03 1.13 5.08 -1.26 -0.48 114.58 120.82 2wc4 h GLU 266 Ca 0.17 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.17 2wc4 h GLU 266 Cb 0.42 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2wc4 h GLU 266 CO 0.01 0.59 -1.80 0.34 -1.00 0.00 0.00 179.01 177.15 2wc4 n PHE 267 N -4.61 1.05 -0.08 4.33 7.35 -0.98 -4.66 117.46 119.85 2wc4 n PHE 267 Ca 0.19 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 2wc4 n PHE 267 Cb 0.39 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 39.04 2wc4 n PHE 267 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wc4 n ALA 268 N -2.67 2.14 -0.28 3.13 0.00 0.98 -4.68 120.51 119.13 2wc4 n ALA 268 Ca -0.21 -0.69 0.11 0.00 0.00 0.00 0.00 53.44 52.66 2wc4 n ALA 268 Cb 1.05 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.87 2wc4 n ALA 268 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wc4 h ARG 269 N 0.00 0.70 0.00 0.00 2.43 -1.22 0.49 114.38 116.78 2wc4 h ARG 269 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2wc4 h ARG 269 Cb 0.26 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2wc4 h ARG 269 CO 0.00 0.46 -0.03 1.49 -1.51 0.00 0.00 179.97 180.39 2wc4 h GLU 270 N 0.72 0.00 0.00 0.20 4.57 -1.83 -2.87 114.58 115.37 2wc4 h GLU 270 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2wc4 h GLU 270 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2wc4 h GLU 270 CO -0.21 0.03 -1.43 0.66 -1.18 0.00 0.00 179.01 176.88 2wc4 n TYR 271 N -3.33 0.35 -1.89 0.92 4.01 0.15 -4.94 117.16 112.42 2wc4 n TYR 271 Ca -0.02 0.10 -0.32 0.00 -0.16 0.00 0.00 57.90 57.50 2wc4 n TYR 271 Cb 0.15 -0.59 0.02 0.00 -0.31 0.00 0.00 39.34 38.61 2wc4 n TYR 271 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wc4 s LEU 272 N -4.55 3.40 0.58 7.72 1.43 -1.08 -4.35 118.68 121.82 2wc4 s LEU 272 Ca -0.02 1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 54.66 2wc4 s LEU 272 Cb 0.13 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2wc4 s LEU 272 CO 0.85 -1.29 1.35 -2.84 0.23 0.00 0.00 176.35 174.64 2wc4 s PRO 273 N -4.31 2.95 0.15 1.29 0.02 -1.26 -4.91 135.00 128.93 2wc4 s PRO 273 Ca 0.63 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.57 2wc4 s PRO 273 Cb -0.16 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 2wc4 s PRO 273 CO 0.42 -1.33 1.57 1.49 -0.33 0.00 0.00 177.00 178.82 2wc4 h GLU 274 N 1.17 -0.36 -0.95 5.54 4.57 -1.94 -2.34 114.58 120.28 2wc4 h GLU 274 Ca -0.51 0.02 -0.64 0.00 -1.18 0.00 0.00 59.36 57.05 2wc4 h GLU 274 Cb 1.31 0.08 -0.31 0.00 -0.16 0.00 0.00 28.75 29.68 2wc4 h GLU 274 CO 0.56 -0.24 0.62 0.09 -1.18 0.00 0.00 179.01 178.85 2wc4 n ASN 275 N -5.42 6.99 -0.10 1.04 5.03 -1.26 -4.66 115.26 116.88 2wc4 n ASN 275 Ca -0.02 -3.77 0.19 0.00 0.87 0.00 0.00 54.58 51.85 2wc4 n ASN 275 Cb 0.35 -0.88 0.60 0.00 -1.02 0.00 0.00 39.78 38.84 2wc4 n ASN 275 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 2wc4 h TYR 276 N 1.94 0.24 0.00 3.10 -0.00 -1.78 -0.81 116.97 119.65 2wc4 h TYR 276 Ca 0.57 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 59.26 2wc4 h TYR 276 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 37.71 2wc4 h TYR 276 CO 1.36 0.09 -0.22 -0.22 -0.00 0.00 0.00 178.16 179.17 2wc4 h LYS 277 N 0.20 0.00 -0.52 0.10 3.64 -1.86 -1.19 116.57 116.95 2wc4 h LYS 277 Ca 0.33 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.86 2wc4 h LYS 277 Cb 1.02 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2wc4 h LYS 277 CO -0.06 0.22 0.54 -0.44 -2.27 0.00 0.00 179.45 177.43 2wc4 h ASP 278 N 0.00 0.00 0.47 4.20 3.32 -1.53 -1.38 116.42 121.49 2wc4 h ASP 278 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wc4 h ASP 278 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2wc4 h ASP 278 CO 0.03 0.00 -0.44 0.47 -1.72 0.00 0.00 179.24 177.58 2wc4 n ASP 279 N -3.72 0.58 -0.04 6.45 8.00 -0.45 -4.38 116.55 122.99 2wc4 n ASP 279 Ca 0.10 -0.35 -0.02 0.00 0.71 0.00 0.00 54.79 55.24 2wc4 n ASP 279 Cb 0.74 0.21 0.24 0.00 -0.02 0.00 0.00 41.12 42.29 2wc4 n ASP 279 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2wc4 h MET 280 N 0.22 0.61 -0.72 -1.24 2.86 -1.36 -1.94 114.93 113.35 2wc4 h MET 280 Ca 0.00 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 2wc4 h MET 280 Cb 0.50 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2wc4 h MET 280 CO 0.00 0.64 0.48 1.03 1.06 0.00 0.00 176.91 180.12 2wc4 h SER 281 N 0.58 0.83 0.13 1.22 0.87 -1.78 -1.93 113.55 113.48 2wc4 h SER 281 Ca 0.12 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 2wc4 h SER 281 Cb 0.39 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2wc4 h SER 281 CO 0.01 0.60 -0.56 -0.33 -0.53 0.00 0.00 176.83 176.02 2wc4 h GLU 282 N 0.98 0.45 0.00 2.24 3.07 -1.77 -2.70 114.58 116.84 2wc4 h GLU 282 Ca 0.27 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2wc4 h GLU 282 Cb -0.11 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2wc4 h GLU 282 CO -0.06 0.89 -0.00 0.82 -1.40 0.00 0.00 179.01 179.26 2wc4 h ILE 283 N 0.34 0.35 -0.01 3.13 2.04 -0.63 -2.57 117.51 120.16 2wc4 h ILE 283 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wc4 h ILE 283 Cb 1.09 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2wc4 h ILE 283 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.25 2wc4 n GLN 284 N -3.58 1.03 -1.37 2.37 6.02 -0.82 -4.53 117.38 116.50 2wc4 n GLN 284 Ca -0.03 -0.05 -0.53 0.00 -0.01 0.00 0.00 57.00 56.38 2wc4 n GLN 284 Cb 0.08 -1.26 -0.07 0.00 1.02 0.00 0.00 30.24 30.01 2wc4 n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wc4 n GLU 285 N -0.71 0.00 -1.96 -1.09 4.07 -0.97 -4.79 120.64 115.19 2wc4 n GLU 285 Ca 0.12 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.81 2wc4 n GLU 285 Cb 0.07 -1.34 -0.03 0.00 -0.06 0.00 0.00 31.44 30.09 2wc4 n GLU 285 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2wc4 s LYS 286 N -0.08 4.23 0.32 5.31 2.20 -1.26 -5.03 119.74 125.43 2wc4 s LYS 286 Ca 0.81 2.34 0.08 0.00 -0.36 0.00 0.00 55.97 58.84 2wc4 s LYS 286 Cb -1.14 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.01 2wc4 s LYS 286 CO 0.52 -0.54 0.23 0.96 -0.36 0.00 0.00 175.35 176.17 2wc4 s ILE 287 N 0.71 3.56 -0.14 5.43 -4.36 -1.26 -5.01 121.20 120.13 2wc4 s ILE 287 Ca 0.66 -1.46 0.18 0.00 -0.26 0.00 0.00 60.65 59.77 2wc4 s ILE 287 Cb -0.43 -3.16 -0.25 0.00 1.25 0.00 0.00 42.46 39.87 2wc4 s ILE 287 CO 0.36 -0.21 0.29 0.47 0.24 0.00 0.00 174.94 176.09 2wc4 n ASP 288 N -1.28 0.18 -3.68 4.36 8.00 0.20 -4.93 116.55 119.40 2wc4 n ASP 288 Ca -0.03 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 2wc4 n ASP 288 Cb 0.60 1.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.66 2wc4 n ASP 288 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wc4 s PHE 289 N -2.75 -0.15 -0.13 1.24 -0.12 -1.21 -3.88 117.98 110.99 2wc4 s PHE 289 Ca -0.08 -0.18 -0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2wc4 s PHE 289 Cb 0.08 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 2wc4 s PHE 289 CO 0.84 -0.76 -0.12 0.08 -0.05 0.00 0.00 175.22 175.21 2wc4 s VAL 290 N -3.83 3.14 -0.21 -2.49 1.01 -0.73 -3.61 120.40 113.68 2wc4 s VAL 290 Ca 0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 2wc4 s VAL 290 Cb 0.01 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2wc4 s VAL 290 CO -0.09 0.52 0.19 -0.83 0.00 0.00 0.00 175.10 174.89 2wc4 s GLY 291 N 0.29 2.05 -0.12 4.51 0.00 0.44 -0.91 107.32 113.58 2wc4 s GLY 291 Ca -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.91 2wc4 s GLY 291 CO 0.05 0.34 -0.15 1.08 0.00 0.00 0.00 173.10 174.42 2wc4 s LEU 292 N 0.73 2.61 -0.08 0.66 1.43 -0.08 -1.09 118.68 122.87 2wc4 s LEU 292 Ca 0.10 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2wc4 s LEU 292 Cb -0.13 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2wc4 s LEU 292 CO 0.02 0.17 0.19 0.20 0.23 0.00 0.00 176.35 177.16 2wc4 s ASN 293 N 0.34 6.46 -0.12 2.29 0.01 0.38 -1.20 114.94 123.10 2wc4 s ASN 293 Ca -0.12 0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 52.50 2wc4 s ASN 293 Cb -0.16 -2.09 0.05 0.00 0.41 0.00 0.00 41.25 39.45 2wc4 s ASN 293 CO 0.06 0.37 0.28 -0.47 -1.51 0.00 0.00 177.10 175.83 2wc4 s TYR 294 N -1.09 -0.38 0.00 2.20 5.04 -0.66 -2.24 117.35 120.22 2wc4 s TYR 294 Ca 0.19 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 2wc4 s TYR 294 Cb -0.13 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.28 2wc4 s TYR 294 CO 0.08 -0.24 0.00 0.66 -1.34 0.00 0.00 175.55 174.70 2wc4 n TYR 295 N 4.08 0.00 -3.91 4.97 4.02 -1.26 -4.25 117.16 120.81 2wc4 n TYR 295 Ca -0.23 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.57 2wc4 n TYR 295 Cb 0.54 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.78 2wc4 n TYR 295 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2wc4 s SER 296 N -3.27 0.20 0.18 7.72 1.04 -1.26 -4.72 113.70 113.59 2wc4 s SER 296 Ca 0.00 -0.72 0.11 0.00 0.48 0.00 0.00 55.95 55.81 2wc4 s SER 296 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2wc4 s SER 296 CO 0.00 -0.69 -0.21 -0.83 0.98 0.00 0.00 173.24 172.49 2wc4 s GLY 297 N -2.84 1.70 -0.02 7.32 0.00 -1.21 -1.68 107.32 110.59 2wc4 s GLY 297 Ca 0.05 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2wc4 s GLY 297 CO -0.11 -1.59 0.03 0.30 0.00 0.00 0.00 173.10 171.73 2wc4 s HIS 298 N -1.60 0.05 -0.12 1.90 3.76 0.22 -4.39 115.29 115.10 2wc4 s HIS 298 Ca 0.21 0.11 -0.22 0.00 -0.15 0.00 0.00 55.06 55.01 2wc4 s HIS 298 Cb -0.08 -0.23 -0.03 0.00 1.11 0.00 0.00 32.58 33.34 2wc4 s HIS 298 CO 0.11 -0.09 0.66 -1.17 -0.85 0.00 0.00 174.74 173.40 2wc4 s LEU 299 N 1.00 4.25 0.05 0.89 2.96 -1.26 -0.80 118.68 125.78 2wc4 s LEU 299 Ca -0.08 1.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.91 2wc4 s LEU 299 Cb -0.12 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2wc4 s LEU 299 CO -0.03 -0.17 -0.16 0.68 -1.32 0.00 0.00 176.35 175.35 2wc4 s VAL 300 N 1.22 1.28 0.05 1.68 -7.23 0.47 0.19 120.40 118.06 2wc4 s VAL 300 Ca 0.33 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 2wc4 s VAL 300 Cb -0.17 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2wc4 s VAL 300 CO 0.14 -0.02 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.24 2wc4 s LYS 301 N -1.36 0.60 0.22 4.82 -2.85 -0.16 -1.10 119.74 119.91 2wc4 s LYS 301 Ca 0.02 -0.87 -0.31 0.00 -1.00 0.00 0.00 55.97 53.82 2wc4 s LYS 301 Cb -0.09 -0.33 -0.11 0.00 -2.06 0.00 0.00 37.83 35.25 2wc4 s LYS 301 CO 0.02 0.05 1.57 0.12 0.10 0.00 0.00 175.35 177.21 2wc4 s PHE 302 N -1.72 2.97 -0.12 1.78 5.36 -1.26 -1.38 117.98 123.60 2wc4 s PHE 302 Ca -0.06 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 56.58 2wc4 s PHE 302 Cb -0.08 -3.97 0.05 0.00 -0.34 0.00 0.00 43.02 38.69 2wc4 s PHE 302 CO -0.00 -3.43 0.09 0.34 -1.46 0.00 0.00 175.22 170.76 2wc4 s ASP 303 N 0.84 1.76 0.45 6.13 3.68 -0.31 -4.82 116.67 124.40 2wc4 s ASP 303 Ca 0.67 -0.29 0.11 0.00 2.13 0.00 0.00 52.55 55.18 2wc4 s ASP 303 Cb -0.45 -0.14 1.01 0.00 -1.45 0.00 0.00 42.92 41.90 2wc4 s ASP 303 CO 0.37 -0.31 2.07 1.55 0.13 0.00 0.00 175.17 178.98 2wc4 h PRO 304 N 8.42 0.25 -0.01 4.34 0.13 -1.95 -2.71 132.00 140.47 2wc4 h PRO 304 Ca -0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2wc4 h PRO 304 Cb 1.14 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2wc4 h PRO 304 CO 0.23 0.21 -0.42 -0.25 -0.23 0.00 0.00 178.00 177.55 2wc4 n ASP 305 N -4.46 1.44 -4.80 1.44 8.00 -1.26 -4.83 116.55 112.09 2wc4 n ASP 305 Ca -0.00 -1.14 -0.35 0.00 0.71 0.00 0.00 54.79 54.01 2wc4 n ASP 305 Cb 0.12 0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 2wc4 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wc4 s ALA 306 N -2.55 3.11 0.55 2.24 0.00 -1.02 -4.95 121.76 119.14 2wc4 s ALA 306 Ca 0.20 0.46 0.24 0.00 0.00 0.00 0.00 51.96 52.86 2wc4 s ALA 306 Cb 0.18 -3.17 1.50 0.00 0.00 0.00 0.00 23.12 21.63 2wc4 s ALA 306 CO 0.57 0.13 2.11 -1.35 0.00 0.00 0.00 175.76 177.22 2wc4 h PRO 307 N 2.43 0.00 -0.09 0.00 0.11 -1.89 0.31 132.00 132.87 2wc4 h PRO 307 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wc4 h PRO 307 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wc4 h PRO 307 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 2wc4 n ALA 308 N -2.47 2.18 -1.32 -0.75 0.00 -1.26 -4.96 120.51 111.93 2wc4 n ALA 308 Ca 0.02 -1.51 -0.05 0.00 0.00 0.00 0.00 53.44 51.90 2wc4 n ALA 308 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2wc4 n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wc4 n LYS 309 N -0.51 -0.38 -4.35 0.00 4.01 0.11 -5.02 118.16 112.02 2wc4 n LYS 309 Ca 0.08 0.62 -0.20 0.00 -0.51 0.00 0.00 58.31 58.30 2wc4 n LYS 309 Cb 0.43 -4.36 -0.15 0.00 -0.51 0.00 0.00 35.03 30.44 2wc4 n LYS 309 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2wc4 s VAL 310 N -2.21 0.73 0.07 -0.18 1.01 -1.25 -1.16 120.40 117.40 2wc4 s VAL 310 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2wc4 s VAL 310 Cb 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2wc4 s VAL 310 CO 0.00 0.23 -0.12 -0.94 0.00 0.00 0.00 175.10 174.27 2wc4 s SER 311 N 0.24 1.43 0.49 3.32 1.04 -0.48 -4.64 113.70 115.10 2wc4 s SER 311 Ca -0.04 -0.63 -0.13 0.00 0.48 0.00 0.00 55.95 55.64 2wc4 s SER 311 Cb -0.09 -0.02 -0.06 0.00 0.10 0.00 0.00 66.02 65.95 2wc4 s SER 311 CO 0.00 -0.14 0.91 -0.36 0.98 0.00 0.00 173.24 174.64 2wc4 s PHE 312 N -1.48 3.50 -0.15 5.02 0.40 -1.26 -0.99 117.98 123.02 2wc4 s PHE 312 Ca -0.03 1.25 -0.00 0.00 -0.60 0.00 0.00 56.93 57.56 2wc4 s PHE 312 Cb -0.09 -2.63 0.03 0.00 0.51 0.00 0.00 43.02 40.84 2wc4 s PHE 312 CO 0.01 -0.33 -0.09 0.08 0.70 0.00 0.00 175.22 175.59 2wc4 s VAL 313 N -2.64 1.31 0.43 -0.44 1.01 0.13 -4.88 120.40 115.32 2wc4 s VAL 313 Ca 0.55 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2wc4 s VAL 313 Cb -0.10 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 2wc4 s VAL 313 CO 0.36 0.29 1.34 -0.62 0.00 0.00 0.00 175.10 176.47 2wc4 n GLU 314 N 4.83 2.07 -4.42 2.72 1.02 -1.26 -4.15 120.64 121.45 2wc4 n GLU 314 Ca -0.14 0.74 -0.25 0.00 -0.02 0.00 0.00 57.16 57.49 2wc4 n GLU 314 Cb 0.49 -2.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.31 2wc4 n GLU 314 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wc4 s ARG 315 N -2.30 1.51 -1.42 3.49 0.52 -1.26 -5.04 118.95 114.46 2wc4 s ARG 315 Ca 0.61 -1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.12 2wc4 s ARG 315 Cb -0.48 -1.68 0.07 0.00 0.52 0.00 0.00 34.95 33.37 2wc4 s ARG 315 CO 0.58 0.34 2.22 -3.47 0.02 0.00 0.00 175.30 174.99 2wc4 n ASP 316 N -0.05 5.07 -4.48 0.23 4.64 -1.26 -4.91 116.55 115.79 2wc4 n ASP 316 Ca -0.10 -2.91 -0.25 0.00 -1.38 0.00 0.00 54.79 50.15 2wc4 n ASP 316 Cb 0.58 -1.57 -0.10 0.00 -1.04 0.00 0.00 41.12 38.98 2wc4 n ASP 316 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2wc4 s LEU 317 N 0.97 2.62 0.21 -2.67 1.43 -1.26 -5.10 118.68 114.87 2wc4 s LEU 317 Ca 0.48 -0.94 -0.32 0.00 -1.03 0.00 0.00 54.13 52.32 2wc4 s LEU 317 Cb 0.13 -1.19 -0.15 0.00 0.03 0.00 0.00 46.19 45.02 2wc4 s LEU 317 CO -0.06 0.06 1.23 -2.65 0.23 0.00 0.00 176.35 175.16 2wc4 n PRO 318 N -0.40 1.50 -4.29 1.29 -0.02 -1.26 -4.82 135.00 127.00 2wc4 n PRO 318 Ca -0.07 0.53 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 2wc4 n PRO 318 Cb 0.59 -2.07 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 2wc4 n PRO 318 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wc4 s LYS 319 N -0.53 1.16 0.40 -0.52 1.02 -1.26 -0.65 119.74 119.35 2wc4 s LYS 319 Ca 0.70 -1.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 2wc4 s LYS 319 Cb -0.76 -1.07 0.08 0.00 -0.52 0.00 0.00 37.83 35.56 2wc4 s LYS 319 CO 0.52 0.20 0.55 0.25 -0.92 0.00 0.00 175.35 175.96 2wc4 n THR 320 N 0.27 0.00 0.42 2.17 -2.24 -0.53 -4.88 114.28 109.49 2wc4 n THR 320 Ca -0.13 -0.78 0.06 0.00 -2.27 0.00 0.00 64.05 60.92 2wc4 n THR 320 Cb 0.58 -1.21 0.27 0.00 -2.10 0.00 0.00 70.33 67.87 2wc4 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc4 n ALA 321 N -3.02 1.56 0.59 6.98 0.00 0.34 -0.56 120.51 126.40 2wc4 n ALA 321 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2wc4 n ALA 321 Cb 0.31 -1.21 0.28 0.00 0.00 0.00 0.00 19.45 18.83 2wc4 n ALA 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wc4 n MET 322 N -1.53 0.28 -0.59 0.00 2.81 -1.26 -4.92 117.12 111.91 2wc4 n MET 322 Ca 0.03 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2wc4 n MET 322 Cb 0.15 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 2wc4 n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wc4 n GLY 323 N 1.32 0.72 3.77 3.03 0.00 0.28 -5.04 105.19 109.27 2wc4 n GLY 323 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2wc4 n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wc4 s TRP 324 N -2.24 3.82 0.32 1.61 0.51 -1.26 -4.74 118.94 116.97 2wc4 s TRP 324 Ca 0.00 1.49 -0.29 0.00 -2.12 0.00 0.00 56.10 55.18 2wc4 s TRP 324 Cb 0.00 -2.72 -0.10 0.00 -0.81 0.00 0.00 33.47 29.84 2wc4 s TRP 324 CO 0.00 0.44 1.24 -1.21 -0.51 0.00 0.00 176.95 176.91 2wc4 s GLU 325 N -0.74 4.41 -0.41 4.98 2.02 -1.26 -1.45 118.70 126.25 2wc4 s GLU 325 Ca 0.35 2.07 -0.18 0.00 0.02 0.00 0.00 54.97 57.23 2wc4 s GLU 325 Cb -0.21 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 30.96 2wc4 s GLU 325 CO 0.23 -0.08 0.50 0.42 0.02 0.00 0.00 175.26 176.35 2wc4 s ILE 326 N -1.17 5.01 -0.46 -1.63 1.01 0.17 -3.33 121.20 120.80 2wc4 s ILE 326 Ca 0.48 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2wc4 s ILE 326 Cb -0.37 -4.07 0.15 0.00 0.01 0.00 0.00 42.46 38.19 2wc4 s ILE 326 CO 0.48 -0.43 0.32 -0.69 0.00 0.00 0.00 174.94 174.62 2wc4 s VAL 327 N 2.36 1.07 0.38 2.92 1.01 -1.26 -4.72 120.40 122.16 2wc4 s VAL 327 Ca 0.16 -2.76 0.19 0.00 0.00 0.00 0.00 61.98 59.56 2wc4 s VAL 327 Cb -0.16 -1.74 0.19 0.00 0.00 0.00 0.00 36.38 34.67 2wc4 s VAL 327 CO 0.15 -1.06 1.94 -0.65 0.00 0.00 0.00 175.10 175.48 2wc4 h PRO 328 N 6.13 0.00 0.00 2.72 0.11 -1.93 -1.05 132.00 137.98 2wc4 h PRO 328 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2wc4 h PRO 328 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2wc4 h PRO 328 CO 0.45 0.24 0.00 1.05 -0.21 0.00 0.00 178.00 179.53 2wc4 h GLU 329 N 0.00 0.00 0.00 1.05 9.09 -1.94 -1.74 114.58 121.04 2wc4 h GLU 329 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2wc4 h GLU 329 Cb 0.50 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 2wc4 h GLU 329 CO 0.03 0.00 -0.13 0.78 0.05 0.00 0.00 179.01 179.74 2wc4 h GLY 330 N 1.15 0.00 1.61 1.06 0.00 -1.59 -0.39 103.07 104.91 2wc4 h GLY 330 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2wc4 h GLY 330 CO 0.00 0.00 -0.77 1.19 0.00 0.00 0.00 176.54 176.96 2wc4 h ILE 331 N 0.00 1.39 -0.14 2.60 2.10 -1.49 0.74 117.51 122.71 2wc4 h ILE 331 Ca -0.00 -2.23 -0.03 0.00 1.08 0.00 0.00 64.86 63.68 2wc4 h ILE 331 Cb 0.31 2.19 -0.00 0.00 -1.09 0.00 0.00 36.82 38.23 2wc4 h ILE 331 CO 0.02 0.67 -0.02 0.22 -1.08 0.00 0.00 178.15 177.96 2wc4 h TYR 332 N 0.25 0.28 -0.10 2.19 5.03 -1.55 -2.41 116.97 120.66 2wc4 h TYR 332 Ca -0.04 -0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.25 2wc4 h TYR 332 Cb 1.36 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.53 2wc4 h TYR 332 CO 0.04 0.51 -0.11 2.35 -1.32 0.00 0.00 178.16 179.63 2wc4 h TRP 333 N -0.04 -0.28 -0.53 -3.82 7.01 -0.92 -0.42 115.95 116.95 2wc4 h TRP 333 Ca 0.04 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 2wc4 h TRP 333 Cb 0.41 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 2wc4 h TRP 333 CO 0.04 -0.17 0.14 0.97 -2.79 0.00 0.00 178.44 176.63 2wc4 h ILE 334 N -0.15 1.22 -0.07 2.65 6.09 -0.83 0.12 117.51 126.54 2wc4 h ILE 334 Ca 0.08 -0.78 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 2wc4 h ILE 334 Cb 0.25 0.67 -0.00 0.00 0.47 0.00 0.00 36.82 38.21 2wc4 h ILE 334 CO -0.19 0.29 0.01 -0.07 -3.07 0.00 0.00 178.15 175.13 2wc4 h LEU 335 N 0.78 0.11 -0.58 2.19 3.38 -1.27 0.38 115.31 120.31 2wc4 h LEU 335 Ca 0.17 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wc4 h LEU 335 Cb 0.27 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2wc4 h LEU 335 CO -0.00 0.33 0.38 0.11 0.09 0.00 0.00 178.44 179.34 2wc4 h LYS 336 N -0.11 0.76 -0.70 1.13 1.79 -0.78 -2.46 116.57 116.20 2wc4 h LYS 336 Ca 0.02 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2wc4 h LYS 336 Cb 0.26 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2wc4 h LYS 336 CO 0.00 0.50 0.18 -0.22 -1.08 0.00 0.00 179.45 178.84 2wc4 h LYS 337 N 0.78 1.12 -0.11 3.15 1.63 -0.63 0.06 116.57 122.57 2wc4 h LYS 337 Ca 0.21 -0.26 -0.15 0.00 -0.85 0.00 0.00 60.65 59.59 2wc4 h LYS 337 Cb -0.09 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.38 2wc4 h LYS 337 CO -0.05 0.98 -0.59 -0.24 -3.45 0.00 0.00 179.45 176.11 2wc4 h VAL 338 N 1.05 1.36 -0.26 2.00 3.04 -0.74 -0.07 116.25 122.63 2wc4 h VAL 338 Ca 0.22 -1.91 0.01 0.00 -1.01 0.00 0.00 66.70 64.02 2wc4 h VAL 338 Cb 0.36 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 2wc4 h VAL 338 CO 0.00 0.57 0.15 0.50 -1.01 0.00 0.00 177.57 177.79 2wc4 h LYS 339 N 0.28 0.31 -0.57 4.17 3.64 -1.05 -0.57 116.57 122.79 2wc4 h LYS 339 Ca -0.00 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2wc4 h LYS 339 Cb 1.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2wc4 h LYS 339 CO 0.10 0.20 -0.02 0.93 -2.27 0.00 0.00 179.45 178.39 2wc4 h GLU 340 N 0.32 1.00 0.07 1.90 5.08 -0.64 -1.65 114.58 120.66 2wc4 h GLU 340 Ca 0.10 -0.32 -0.32 0.00 -1.00 0.00 0.00 59.36 57.83 2wc4 h GLU 340 Cb -0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2wc4 h GLU 340 CO -0.05 0.99 -1.73 0.93 -1.00 0.00 0.00 179.01 178.16 2wc4 h GLU 341 N 0.91 0.16 0.00 2.33 5.08 -0.83 -3.42 114.58 118.81 2wc4 h GLU 341 Ca 0.16 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wc4 h GLU 341 Cb 0.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2wc4 h GLU 341 CO 0.03 0.92 -0.21 0.66 -1.00 0.00 0.00 179.01 179.41 2wc4 n TYR 342 N -3.31 0.00 -4.14 4.33 4.01 -0.26 -5.06 117.16 112.74 2wc4 n TYR 342 Ca -0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.11 2wc4 n TYR 342 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.06 2wc4 n TYR 342 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wc4 n ASN 343 N -0.71 -2.55 -4.73 7.72 5.15 -0.62 -4.92 115.26 114.60 2wc4 n ASN 343 Ca 0.00 -1.27 -0.34 0.00 -0.60 0.00 0.00 54.58 52.37 2wc4 n ASN 343 Cb 0.00 -1.53 0.08 0.00 -0.53 0.00 0.00 39.78 37.80 2wc4 n ASN 343 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wc4 s PRO 344 N -7.39 2.27 0.34 1.20 0.04 -1.26 -4.91 135.00 125.30 2wc4 s PRO 344 Ca 0.34 1.76 0.10 0.00 0.04 0.00 0.00 61.00 63.24 2wc4 s PRO 344 Cb -0.19 -1.85 0.62 0.00 0.04 0.00 0.00 34.50 33.12 2wc4 s PRO 344 CO 0.95 -1.74 1.79 -1.00 0.04 0.00 0.00 177.00 177.04 2wc4 h PRO 345 N -0.14 0.11 -3.56 0.56 0.13 -1.92 -3.44 132.00 123.74 2wc4 h PRO 345 Ca -0.48 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.43 2wc4 h PRO 345 Cb 1.29 -0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 2wc4 h PRO 345 CO 0.51 0.46 -0.58 -1.21 -0.23 0.00 0.00 178.00 176.94 2wc4 s GLU 346 N -4.21 0.24 0.01 0.86 2.02 -1.25 -4.83 118.70 111.55 2wc4 s GLU 346 Ca -0.04 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.88 2wc4 s GLU 346 Cb 0.14 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 2wc4 s GLU 346 CO 0.74 -0.05 -0.11 0.08 0.02 0.00 0.00 175.26 175.95 2wc4 s VAL 347 N -0.55 0.82 0.08 2.63 1.01 -0.58 -1.77 120.40 122.05 2wc4 s VAL 347 Ca -0.06 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.35 2wc4 s VAL 347 Cb -0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2wc4 s VAL 347 CO 0.00 0.09 -0.21 -0.31 0.00 0.00 0.00 175.10 174.66 2wc4 s TYR 348 N -0.53 1.85 -0.46 5.22 1.51 -0.08 -0.46 117.35 124.40 2wc4 s TYR 348 Ca 0.02 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 2wc4 s TYR 348 Cb -0.05 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 2wc4 s TYR 348 CO 0.00 0.16 0.83 0.42 -1.11 0.00 0.00 175.55 175.85 2wc4 s ILE 349 N -0.99 4.59 -0.99 2.71 -1.09 -0.63 -0.90 121.20 123.90 2wc4 s ILE 349 Ca 0.07 0.49 0.24 0.00 -2.23 0.00 0.00 60.65 59.23 2wc4 s ILE 349 Cb -0.09 -4.36 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 2wc4 s ILE 349 CO 0.03 -0.77 1.27 0.35 -1.23 0.00 0.00 174.94 174.59 2wc4 n THR 350 N 6.21 0.01 -3.65 2.92 -2.24 -0.34 -0.42 114.28 116.77 2wc4 n THR 350 Ca 0.03 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2wc4 n THR 350 Cb 0.48 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 2wc4 n THR 350 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wc4 s GLU 351 N -3.01 0.69 -0.23 -0.78 2.02 -1.24 -4.66 118.70 111.49 2wc4 s GLU 351 Ca 0.10 1.04 -0.17 0.00 0.02 0.00 0.00 54.97 55.96 2wc4 s GLU 351 Cb 0.17 0.22 0.07 0.00 0.10 0.00 0.00 34.13 34.68 2wc4 s GLU 351 CO 0.75 -0.13 0.60 1.21 0.02 0.00 0.00 175.26 177.71 2wc4 s ASN 352 N 1.06 -0.72 0.00 -0.19 3.04 -1.04 -1.65 114.94 115.44 2wc4 s ASN 352 Ca -0.06 1.26 0.00 0.00 0.04 0.00 0.00 52.86 54.11 2wc4 s ASN 352 Cb -0.05 1.20 0.00 0.00 -1.54 0.00 0.00 41.25 40.85 2wc4 s ASN 352 CO -0.10 -0.22 0.00 0.61 -3.04 0.00 0.00 177.10 174.35 2wc4 n GLY 353 N 3.65 -1.30 3.32 1.21 0.00 -1.26 -1.58 105.19 109.23 2wc4 n GLY 353 Ca -0.18 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2wc4 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc4 s ALA 354 N -1.56 -1.06 -0.09 4.61 0.00 -1.26 -4.89 121.76 117.51 2wc4 s ALA 354 Ca 0.00 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 2wc4 s ALA 354 Cb 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2wc4 s ALA 354 CO 0.00 -0.24 0.47 0.00 0.00 0.00 0.00 175.76 175.99 2wc4 s ALA 355 N -0.48 3.51 0.12 0.00 0.00 -1.26 -4.33 121.76 119.32 2wc4 s ALA 355 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2wc4 s ALA 355 Cb -0.03 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2wc4 s ALA 355 CO 0.03 0.10 -0.00 -0.06 0.00 0.00 0.00 175.76 175.82 2wc4 s PHE 356 N 0.26 0.91 -1.36 0.00 0.08 -1.17 -0.50 117.98 116.20 2wc4 s PHE 356 Ca 0.26 -1.07 -0.15 0.00 0.12 0.00 0.00 56.93 56.09 2wc4 s PHE 356 Cb -0.16 -0.53 0.08 0.00 -0.57 0.00 0.00 43.02 41.84 2wc4 s PHE 356 CO 0.11 -0.32 1.96 -3.47 -0.10 0.00 0.00 175.22 173.40 2wc4 n ASP 357 N -0.09 4.48 -4.75 1.36 2.03 -1.26 -4.38 116.55 113.95 2wc4 n ASP 357 Ca -0.09 -2.91 -0.41 0.00 0.52 0.00 0.00 54.79 51.90 2wc4 n ASP 357 Cb 0.62 -1.66 -0.04 0.00 -0.72 0.00 0.00 41.12 39.33 2wc4 n ASP 357 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2wc4 s ASP 358 N 3.23 7.17 0.03 1.67 1.01 -1.26 -5.05 116.67 123.46 2wc4 s ASP 358 Ca 0.48 2.25 0.05 0.00 0.71 0.00 0.00 52.55 56.05 2wc4 s ASP 358 Cb 0.09 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2wc4 s ASP 358 CO -0.01 -0.26 -0.15 0.68 0.21 0.00 0.00 175.17 175.63 2wc4 s VAL 359 N -0.61 1.20 -0.24 -1.27 -7.23 -1.26 -5.11 120.40 105.88 2wc4 s VAL 359 Ca 0.49 -0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 2wc4 s VAL 359 Cb -0.32 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2wc4 s VAL 359 CO 0.39 0.13 1.15 -0.69 -0.31 0.00 0.00 175.10 175.77 2wc4 s VAL 360 N -0.69 4.45 0.88 1.32 1.01 -1.26 -4.46 120.40 121.64 2wc4 s VAL 360 Ca 0.04 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 2wc4 s VAL 360 Cb -0.07 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.22 2wc4 s VAL 360 CO 0.01 -0.28 1.24 -0.94 0.00 0.00 0.00 175.10 175.13 2wc4 s SER 361 N 1.76 3.88 0.60 3.32 1.04 -0.19 -4.91 113.70 119.21 2wc4 s SER 361 Ca 0.49 0.54 0.31 0.00 0.48 0.00 0.00 55.95 57.77 2wc4 s SER 361 Cb -0.16 -0.83 1.80 0.00 0.10 0.00 0.00 66.02 66.92 2wc4 s SER 361 CO 0.13 -2.28 2.18 -0.33 0.98 0.00 0.00 173.24 173.93 2wc4 h GLU 362 N -1.31 0.00 -0.00 4.02 4.39 -1.96 0.24 114.58 119.96 2wc4 h GLU 362 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2wc4 h GLU 362 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2wc4 h GLU 362 CO 0.53 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.98 2wc4 n ASP 363 N -3.72 0.05 0.00 1.42 5.68 -1.26 -4.87 116.55 113.85 2wc4 n ASP 363 Ca -0.01 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 2wc4 n ASP 363 Cb 0.20 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2wc4 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wc4 n GLY 364 N 0.95 0.78 3.90 6.12 0.00 0.07 -5.04 105.19 111.97 2wc4 n GLY 364 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2wc4 n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wc4 s ARG 365 N -0.29 2.72 -0.33 1.61 0.52 -1.26 -4.85 118.95 117.08 2wc4 s ARG 365 Ca 0.00 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.88 2wc4 s ARG 365 Cb 0.00 -2.52 0.08 0.00 0.52 0.00 0.00 34.95 33.03 2wc4 s ARG 365 CO 0.00 -0.07 0.04 0.08 0.02 0.00 0.00 175.30 175.37 2wc4 s VAL 366 N -2.36 2.60 -1.22 3.52 1.01 -1.26 -1.02 120.40 121.67 2wc4 s VAL 366 Ca 0.46 -1.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.38 2wc4 s VAL 366 Cb -0.06 -2.72 0.18 0.00 0.00 0.00 0.00 36.38 33.78 2wc4 s VAL 366 CO 0.29 -0.39 1.55 1.41 0.00 0.00 0.00 175.10 177.95 2wc4 n HIS 367 N 4.43 4.32 -2.51 5.22 -0.00 -1.26 -1.01 115.22 124.42 2wc4 n HIS 367 Ca -0.05 -3.21 -0.41 0.00 -0.00 0.00 0.00 57.72 54.05 2wc4 n HIS 367 Cb 0.42 -2.06 0.01 0.00 -0.00 0.00 0.00 29.99 28.36 2wc4 n HIS 367 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2wc4 n ASP 368 N 4.80 7.15 0.26 0.41 5.75 -1.26 -4.71 116.55 128.95 2wc4 n ASP 368 Ca 0.37 -3.44 0.09 0.00 -0.01 0.00 0.00 54.79 51.80 2wc4 n ASP 368 Cb 0.40 -1.27 0.67 0.00 -1.03 0.00 0.00 41.12 39.89 2wc4 n ASP 368 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2wc4 h GLN 369 N 4.69 0.00 -0.82 0.11 4.15 -1.99 -0.95 115.11 120.30 2wc4 h GLN 369 Ca 0.50 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.94 2wc4 h GLN 369 Cb 0.40 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 2wc4 h GLN 369 CO 1.33 0.03 0.55 -2.95 -1.93 0.00 0.00 178.83 175.86 2wc4 h ASN 370 N 0.00 0.92 -0.33 -0.69 7.08 -2.00 0.13 115.58 120.70 2wc4 h ASN 370 Ca -0.00 -0.02 -0.13 0.00 -3.08 0.00 0.00 56.30 53.07 2wc4 h ASN 370 Cb 0.06 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 36.06 2wc4 h ASN 370 CO 0.00 0.66 -0.29 -0.09 -2.08 0.00 0.00 177.43 175.63 2wc4 h ARG 371 N 1.09 0.84 -0.52 4.14 2.43 -1.58 -1.26 114.38 119.52 2wc4 h ARG 371 Ca 0.31 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2wc4 h ARG 371 Cb -0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2wc4 h ARG 371 CO -0.08 1.02 0.15 0.82 -1.51 0.00 0.00 179.97 180.38 2wc4 h ILE 372 N 0.72 1.23 -0.29 1.20 2.04 -0.85 -0.79 117.51 120.77 2wc4 h ILE 372 Ca 0.08 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 2wc4 h ILE 372 Cb 0.84 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2wc4 h ILE 372 CO 0.07 0.29 -0.27 0.44 0.00 0.00 0.00 178.15 178.68 2wc4 h ASP 373 N 0.71 0.59 0.06 1.72 3.32 -0.67 0.97 116.42 123.13 2wc4 h ASP 373 Ca 0.17 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.01 2wc4 h ASP 373 Cb 0.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2wc4 h ASP 373 CO -0.00 0.84 -0.10 0.22 -1.72 0.00 0.00 179.24 178.48 2wc4 h TYR 374 N 0.50 -0.25 -0.27 4.55 5.03 -0.97 -2.23 116.97 123.34 2wc4 h TYR 374 Ca 0.07 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 2wc4 h TYR 374 Cb 0.73 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 2wc4 h TYR 374 CO 0.03 -0.15 0.05 -0.07 -1.32 0.00 0.00 178.16 176.70 2wc4 h LEU 375 N -0.20 0.42 -0.66 2.82 3.38 -0.76 -2.36 115.31 117.95 2wc4 h LEU 375 Ca 0.02 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2wc4 h LEU 375 Cb 0.21 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2wc4 h LEU 375 CO -0.05 0.57 0.38 0.50 0.09 0.00 0.00 178.44 179.92 2wc4 h LYS 376 N 0.26 0.71 -0.38 1.13 3.64 -0.83 0.24 116.57 121.34 2wc4 h LYS 376 Ca 0.08 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2wc4 h LYS 376 Cb 0.32 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2wc4 h LYS 376 CO 0.00 0.47 0.04 0.00 -2.27 0.00 0.00 179.45 177.69 2wc4 h ALA 377 N 1.31 0.51 -0.35 5.00 0.00 -1.26 -0.49 119.26 123.98 2wc4 h ALA 377 Ca 0.28 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2wc4 h ALA 377 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wc4 h ALA 377 CO -0.14 0.24 -0.43 0.45 0.00 0.00 0.00 179.25 179.37 2wc4 h HIS 378 N 0.49 1.11 -0.51 0.00 3.86 -1.03 -1.91 115.15 117.16 2wc4 h HIS 378 Ca 0.11 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2wc4 h HIS 378 Cb 0.40 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2wc4 h HIS 378 CO 0.03 1.18 0.31 0.82 0.86 0.00 0.00 177.93 181.13 2wc4 h ILE 379 N 0.73 1.15 -0.69 2.45 2.04 -0.46 0.01 117.51 122.74 2wc4 h ILE 379 Ca 0.05 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2wc4 h ILE 379 Cb 1.03 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2wc4 h ILE 379 CO 0.10 0.15 0.44 1.23 0.00 0.00 0.00 178.15 180.08 2wc4 h GLY 380 N 0.68 0.99 1.34 5.37 0.00 -0.98 -0.99 103.07 109.48 2wc4 h GLY 380 Ca 0.18 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 2wc4 h GLY 380 CO -0.03 0.38 -0.33 1.46 0.00 0.00 0.00 176.54 178.02 2wc4 h GLN 381 N 0.95 0.74 -0.61 4.80 1.08 -0.95 -1.98 115.11 119.14 2wc4 h GLN 381 Ca 0.25 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 2wc4 h GLN 381 Cb -0.07 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 2wc4 h GLN 381 CO -0.05 0.96 0.23 0.00 -0.95 0.00 0.00 178.83 179.01 2wc4 h ALA 382 N 1.01 1.24 -0.58 3.87 0.00 -0.62 -2.00 119.26 122.19 2wc4 h ALA 382 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wc4 h ALA 382 Cb 0.85 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2wc4 h ALA 382 CO 0.07 0.55 0.30 2.35 0.00 0.00 0.00 179.25 182.52 2wc4 h TRP 383 N 0.89 0.81 -0.72 0.00 7.01 -0.95 -1.78 115.95 121.20 2wc4 h TRP 383 Ca 0.21 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.21 2wc4 h TRP 383 Cb 0.20 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 2wc4 h TRP 383 CO 0.01 0.60 0.46 -0.22 -2.79 0.00 0.00 178.44 176.50 2wc4 h LYS 384 N 0.78 0.86 -0.92 2.65 3.64 -1.02 -0.28 116.57 122.29 2wc4 h LYS 384 Ca 0.20 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2wc4 h LYS 384 Cb 0.07 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 2wc4 h LYS 384 CO -0.03 0.57 0.60 0.00 -2.27 0.00 0.00 179.45 178.33 2wc4 h ALA 385 N 1.31 1.20 -0.51 5.00 0.00 -0.81 -2.41 119.26 123.04 2wc4 h ALA 385 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2wc4 h ALA 385 Cb 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2wc4 h ALA 385 CO -0.11 0.50 0.17 0.82 0.00 0.00 0.00 179.25 180.63 2wc4 h ILE 386 N 1.20 1.23 -0.07 0.00 2.04 -0.38 -2.20 117.51 119.33 2wc4 h ILE 386 Ca 0.36 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2wc4 h ILE 386 Cb -0.05 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2wc4 h ILE 386 CO -0.10 0.28 0.10 1.56 0.00 0.00 0.00 178.15 179.99 2wc4 h GLN 387 N 0.69 0.00 -0.69 2.37 1.08 -0.63 -0.25 115.11 117.67 2wc4 h GLN 387 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2wc4 h GLN 387 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2wc4 h GLN 387 CO -0.01 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.26 2wc4 n GLU 388 N -3.60 2.85 0.00 1.46 1.02 -0.87 -4.95 120.64 116.55 2wc4 n GLU 388 Ca -0.01 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 2wc4 n GLU 388 Cb 0.20 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2wc4 n GLU 388 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc4 n GLY 389 N 1.50 0.66 3.71 0.62 0.00 -0.10 -5.06 105.19 106.51 2wc4 n GLY 389 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2wc4 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc4 s VAL 390 N -2.00 3.55 -1.51 1.61 1.01 -0.92 -4.90 120.40 117.24 2wc4 s VAL 390 Ca 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.97 2wc4 s VAL 390 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wc4 s VAL 390 CO 0.00 0.06 2.69 -0.81 0.00 0.00 0.00 175.10 177.04 2wc4 n PRO 391 N 4.27 3.92 -2.50 2.72 -0.04 -1.26 -4.35 135.00 137.76 2wc4 n PRO 391 Ca 0.11 -2.67 -0.43 0.00 -0.04 0.00 0.00 63.50 60.47 2wc4 n PRO 391 Cb 0.43 -2.79 -0.02 0.00 -0.04 0.00 0.00 33.50 31.08 2wc4 n PRO 391 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wc4 s LEU 392 N -0.40 4.05 -0.00 1.53 2.96 -1.26 -1.52 118.68 124.03 2wc4 s LEU 392 Ca 0.62 1.41 0.18 0.00 -0.22 0.00 0.00 54.13 56.12 2wc4 s LEU 392 Cb 0.17 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 43.12 2wc4 s LEU 392 CO -0.07 -0.85 0.73 0.29 -1.32 0.00 0.00 176.35 175.13 2wc4 n LYS 393 N 6.79 1.02 -3.60 1.98 4.76 0.39 -4.94 118.16 124.57 2wc4 n LYS 393 Ca 0.13 -0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.52 2wc4 n LYS 393 Cb 0.46 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 2wc4 n LYS 393 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wc4 s GLY 394 N -2.83 -0.33 -0.09 0.72 0.00 -1.26 -1.58 107.32 101.96 2wc4 s GLY 394 Ca 0.06 1.35 -0.04 0.00 0.00 0.00 0.00 44.72 46.09 2wc4 s GLY 394 CO 0.74 0.43 0.19 -0.47 0.00 0.00 0.00 173.10 173.99 2wc4 s TYR 395 N -2.50 -0.24 -0.18 1.90 6.14 -0.33 -1.61 117.35 120.53 2wc4 s TYR 395 Ca 0.10 0.67 -0.03 0.00 0.64 0.00 0.00 57.07 58.45 2wc4 s TYR 395 Cb 0.00 -0.12 -0.01 0.00 0.42 0.00 0.00 41.96 42.24 2wc4 s TYR 395 CO -0.05 -0.25 -0.07 -0.06 0.64 0.00 0.00 175.55 175.76 2wc4 s PHE 396 N 1.84 2.92 -0.03 4.97 0.40 0.44 -0.35 117.98 128.18 2wc4 s PHE 396 Ca -0.03 -0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 55.26 2wc4 s PHE 396 Cb -0.12 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2wc4 s PHE 396 CO -0.07 -0.36 1.20 0.08 0.70 0.00 0.00 175.22 176.77 2wc4 s VAL 397 N 0.93 4.22 -0.28 -0.44 1.01 -0.61 -2.49 120.40 122.74 2wc4 s VAL 397 Ca -0.01 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.35 2wc4 s VAL 397 Cb -0.15 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2wc4 s VAL 397 CO 0.00 0.03 0.54 0.86 0.00 0.00 0.00 175.10 176.53 2wc4 s TRP 398 N 1.92 3.25 0.22 5.22 -0.11 -0.61 -0.80 118.94 128.02 2wc4 s TRP 398 Ca 0.57 0.58 0.03 0.00 1.22 0.00 0.00 56.10 58.50 2wc4 s TRP 398 Cb -0.26 -2.79 -0.05 0.00 -1.50 0.00 0.00 33.47 28.87 2wc4 s TRP 398 CO 0.24 -0.35 -0.01 0.45 -4.62 0.00 0.00 176.95 172.66 2wc4 s SER 399 N 1.58 1.78 0.26 5.86 0.15 -0.31 -4.08 113.70 118.94 2wc4 s SER 399 Ca 0.22 -1.20 -0.04 0.00 0.70 0.00 0.00 55.95 55.63 2wc4 s SER 399 Cb -0.15 0.02 0.34 0.00 -1.71 0.00 0.00 66.02 64.51 2wc4 s SER 399 CO 0.10 -0.50 1.90 0.25 1.20 0.00 0.00 173.24 176.20 2wc4 h LEU 400 N 2.52 1.09 -8.46 3.45 5.85 -1.67 -0.60 115.31 117.48 2wc4 h LEU 400 Ca -0.38 -0.01 -0.53 0.00 0.84 0.00 0.00 57.88 57.81 2wc4 h LEU 400 Cb 1.22 -0.25 -0.25 0.00 0.37 0.00 0.00 40.66 41.75 2wc4 h LEU 400 CO 0.64 0.74 -0.82 -0.76 -0.34 0.00 0.00 178.44 177.90 2wc4 s LEU 401 N -10.15 2.17 0.49 2.25 1.43 -1.26 -1.35 118.68 112.26 2wc4 s LEU 401 Ca -0.13 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.23 2wc4 s LEU 401 Cb 0.19 -0.82 -0.07 0.00 0.03 0.00 0.00 46.19 45.52 2wc4 s LEU 401 CO 0.82 0.11 1.41 0.47 0.23 0.00 0.00 176.35 179.38 2wc4 n ASP 402 N 1.85 3.10 -1.81 2.29 8.00 -0.86 -3.77 116.55 125.35 2wc4 n ASP 402 Ca -0.18 1.07 -0.05 0.00 0.71 0.00 0.00 54.79 56.35 2wc4 n ASP 402 Cb 0.54 -1.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.05 2wc4 n ASP 402 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wc4 n ASN 403 N -0.50 -0.92 -4.56 -2.24 2.04 -1.26 -4.76 115.26 103.06 2wc4 n ASN 403 Ca 0.07 -1.73 -0.39 0.00 -0.44 0.00 0.00 54.58 52.08 2wc4 n ASN 403 Cb 0.43 1.55 -0.03 0.00 -2.53 0.00 0.00 39.78 39.20 2wc4 n ASN 403 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2wc4 s PHE 404 N -5.55 1.78 -1.37 -2.53 5.36 -0.83 -4.54 117.98 110.30 2wc4 s PHE 404 Ca 0.08 0.69 -0.07 0.00 -0.96 0.00 0.00 56.93 56.67 2wc4 s PHE 404 Cb -0.02 -4.15 0.01 0.00 -0.34 0.00 0.00 43.02 38.52 2wc4 s PHE 404 CO 0.06 -2.34 2.69 -1.91 -1.46 0.00 0.00 175.22 172.27 2wc4 n GLU 405 N 9.04 4.05 0.00 10.12 4.07 -0.57 -4.63 120.64 142.72 2wc4 n GLU 405 Ca 0.19 -2.79 0.00 0.00 -0.06 0.00 0.00 57.16 54.50 2wc4 n GLU 405 Cb 0.51 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.23 2wc4 n GLU 405 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2wc4 n TRP 406 N 2.51 0.00 0.36 4.31 7.02 -1.26 -0.62 117.44 129.76 2wc4 n TRP 406 Ca 0.68 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 57.27 2wc4 n TRP 406 Cb 0.27 0.00 0.44 0.00 -2.42 0.00 0.00 31.31 29.61 2wc4 n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc4 n ALA 407 N 9.67 1.53 1.02 6.99 0.00 -1.26 -0.78 120.51 137.67 2wc4 n ALA 407 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.64 2wc4 n ALA 407 Cb 0.00 -1.32 0.48 0.00 0.00 0.00 0.00 19.45 18.61 2wc4 n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wc4 n GLU 408 N -2.05 0.03 0.00 0.00 -0.58 0.21 -0.99 120.64 117.25 2wc4 n GLU 408 Ca 0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2wc4 n GLU 408 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2wc4 n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc4 n GLY 409 N 1.49 1.01 0.09 0.62 0.00 0.04 -2.93 105.19 105.52 2wc4 n GLY 409 Ca 0.07 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2wc4 n GLY 409 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wc4 n TYR 410 N 0.00 0.02 0.64 1.61 4.01 -1.26 -1.51 117.16 120.67 2wc4 n TYR 410 Ca 0.00 -0.01 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2wc4 n TYR 410 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 2wc4 n TYR 410 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wc4 n SER 411 N -0.70 0.33 -4.16 7.72 3.41 -1.15 -4.55 113.62 114.51 2wc4 n SER 411 Ca 0.19 0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 59.02 2wc4 n SER 411 Cb 0.13 -0.63 -0.16 0.00 -0.26 0.00 0.00 64.21 63.29 2wc4 n SER 411 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wc4 s LYS 412 N -3.09 3.05 -0.28 4.33 -0.14 -1.25 -5.03 119.74 117.33 2wc4 s LYS 412 Ca 0.09 -0.82 -0.07 0.00 -1.36 0.00 0.00 55.97 53.81 2wc4 s LYS 412 Cb 0.13 -2.56 -0.01 0.00 -1.68 0.00 0.00 37.83 33.71 2wc4 s LYS 412 CO 0.44 -0.12 0.08 1.03 -0.76 0.00 0.00 175.35 176.02 2wc4 s ARG 413 N 1.09 3.33 0.00 1.68 0.52 -1.26 -4.58 118.95 119.73 2wc4 s ARG 413 Ca -0.00 -0.70 0.11 0.00 -0.52 0.00 0.00 55.73 54.62 2wc4 s ARG 413 Cb -0.14 -3.36 0.10 0.00 0.52 0.00 0.00 34.95 32.07 2wc4 s ARG 413 CO -0.07 -0.34 0.88 1.19 0.02 0.00 0.00 175.30 176.97 2wc4 n PHE 414 N 4.90 0.03 -1.24 -0.53 3.01 -1.26 -3.03 117.46 119.33 2wc4 n PHE 414 Ca -0.15 -0.03 -0.31 0.00 1.01 0.00 0.00 57.45 57.97 2wc4 n PHE 414 Cb 0.49 -0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.06 2wc4 n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2wc4 s GLY 415 N -0.93 1.72 0.00 1.37 0.00 -1.25 -1.17 107.32 107.07 2wc4 s GLY 415 Ca 0.14 0.33 0.24 0.00 0.00 0.00 0.00 44.72 45.42 2wc4 s GLY 415 CO 0.14 0.69 1.21 0.29 0.00 0.00 0.00 173.10 175.43 2wc4 n ILE 416 N -3.51 0.00 -4.58 0.90 -5.35 -0.23 -4.80 119.36 101.79 2wc4 n ILE 416 Ca 0.10 -0.13 -0.31 0.00 -0.27 0.00 0.00 62.75 62.13 2wc4 n ILE 416 Cb 0.53 0.84 -0.17 0.00 -1.74 0.00 0.00 39.64 39.11 2wc4 n ILE 416 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2wc4 s VAL 417 N -2.67 1.89 0.16 7.28 1.01 -0.45 -1.29 120.40 126.33 2wc4 s VAL 417 Ca 0.17 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2wc4 s VAL 417 Cb 0.18 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 2wc4 s VAL 417 CO 0.64 0.52 0.90 -0.47 0.00 0.00 0.00 175.10 176.69 2wc4 s TYR 418 N 0.89 3.89 -0.20 5.22 6.14 0.10 -2.03 117.35 131.36 2wc4 s TYR 418 Ca -0.06 1.78 -0.02 0.00 0.64 0.00 0.00 57.07 59.41 2wc4 s TYR 418 Cb -0.15 -2.95 0.00 0.00 0.42 0.00 0.00 41.96 39.28 2wc4 s TYR 418 CO -0.02 0.37 -0.12 0.08 0.64 0.00 0.00 175.55 176.50 2wc4 s VAL 419 N -0.67 2.76 -0.46 3.14 1.01 -1.26 0.04 120.40 124.96 2wc4 s VAL 419 Ca 0.42 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2wc4 s VAL 419 Cb -0.24 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 33.95 2wc4 s VAL 419 CO 0.29 0.48 0.87 -0.62 0.00 0.00 0.00 175.10 176.12 2wc4 s ASP 420 N 1.38 6.46 0.38 3.32 -1.08 -0.56 -4.90 116.67 121.68 2wc4 s ASP 420 Ca 0.05 0.02 0.28 0.00 -0.52 0.00 0.00 52.55 52.38 2wc4 s ASP 420 Cb -0.14 -2.43 1.07 0.00 -1.46 0.00 0.00 42.92 39.97 2wc4 s ASP 420 CO -0.08 -1.00 1.82 1.88 0.52 0.00 0.00 175.17 178.31 2wc4 h TYR 421 N 9.05 0.00 -0.03 -5.34 0.05 -1.94 0.29 116.97 119.04 2wc4 h TYR 421 Ca -0.24 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.40 2wc4 h TYR 421 Cb 1.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 2wc4 h TYR 421 CO 0.84 0.00 -0.61 0.66 -1.05 0.00 0.00 178.16 178.01 2wc4 h SER 422 N 0.00 0.13 0.00 3.88 4.64 -1.97 -3.35 113.55 116.88 2wc4 h SER 422 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2wc4 h SER 422 Cb 0.51 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2wc4 h SER 422 CO 0.00 0.70 -0.26 0.35 -0.87 0.00 0.00 176.83 176.76 2wc4 n THR 423 N -3.84 0.00 -1.25 2.95 -2.24 -1.03 -5.01 114.28 103.86 2wc4 n THR 423 Ca -0.02 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 2wc4 n THR 423 Cb 0.61 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 2wc4 n THR 423 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc4 n GLN 424 N -1.13 -1.48 -2.10 -0.78 1.13 0.98 -4.99 117.38 109.00 2wc4 n GLN 424 Ca 0.00 0.76 -0.41 0.00 -1.94 0.00 0.00 57.00 55.42 2wc4 n GLN 424 Cb 0.05 -5.03 -0.02 0.00 0.11 0.00 0.00 30.24 25.34 2wc4 n GLN 424 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wc4 s LYS 425 N -2.57 4.34 -0.19 -1.09 2.20 -1.19 -4.77 119.74 116.46 2wc4 s LYS 425 Ca 0.00 2.22 -0.13 0.00 -0.36 0.00 0.00 55.97 57.70 2wc4 s LYS 425 Cb 0.00 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 2wc4 s LYS 425 CO 0.00 -0.25 0.26 1.03 -0.36 0.00 0.00 175.35 176.03 2wc4 s ARG 426 N -1.35 4.20 -0.20 4.03 3.00 -1.26 -1.49 118.95 125.88 2wc4 s ARG 426 Ca 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 55.73 56.25 2wc4 s ARG 426 Cb -0.40 -3.46 0.04 0.00 0.00 0.00 0.00 34.95 31.13 2wc4 s ARG 426 CO 0.50 0.17 -0.14 0.42 0.00 0.00 0.00 175.30 176.25 2wc4 s ILE 427 N 0.69 1.86 0.08 1.52 1.01 0.11 -4.94 121.20 121.52 2wc4 s ILE 427 Ca 0.14 -1.07 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 2wc4 s ILE 427 Cb -0.13 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.41 2wc4 s ILE 427 CO 0.03 0.27 1.68 -0.69 0.00 0.00 0.00 174.94 176.23 2wc4 s VAL 428 N 1.32 2.95 0.67 2.92 1.01 -1.26 0.03 120.40 128.03 2wc4 s VAL 428 Ca -0.00 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 2wc4 s VAL 428 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2wc4 s VAL 428 CO -0.09 -0.00 1.05 -0.54 0.00 0.00 0.00 175.10 175.52 2wc4 s LYS 429 N 2.63 3.19 0.37 2.72 1.02 -0.41 -4.54 119.74 124.72 2wc4 s LYS 429 Ca 0.75 0.82 0.12 0.00 0.02 0.00 0.00 55.97 57.68 2wc4 s LYS 429 Cb -0.41 -2.03 0.91 0.00 -0.52 0.00 0.00 37.83 35.78 2wc4 s LYS 429 CO 0.33 -0.89 1.86 -0.44 -0.92 0.00 0.00 175.35 175.29 2wc4 h ASP 430 N -0.56 0.58 -0.08 2.83 5.19 -1.37 0.11 116.42 123.12 2wc4 h ASP 430 Ca -0.44 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2wc4 h ASP 430 Cb 1.21 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 2wc4 h ASP 430 CO 0.60 0.26 0.03 0.77 -3.12 0.00 0.00 179.24 177.78 2wc4 h SER 431 N 0.59 0.15 0.05 6.45 4.64 -1.81 0.98 113.55 124.60 2wc4 h SER 431 Ca 0.47 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.61 2wc4 h SER 431 Cb 0.90 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2wc4 h SER 431 CO -0.21 0.17 -0.59 1.23 -0.87 0.00 0.00 176.83 176.55 2wc4 h GLY 432 N 0.32 0.61 1.55 -0.77 0.00 -0.86 0.14 103.07 104.06 2wc4 h GLY 432 Ca 0.05 -0.74 -0.20 0.00 0.00 0.00 0.00 47.33 46.44 2wc4 h GLY 432 CO -0.00 0.66 -0.82 -0.97 0.00 0.00 0.00 176.54 175.41 2wc4 h TYR 433 N 0.42 0.60 -0.34 5.60 0.05 -0.93 -2.25 116.97 120.11 2wc4 h TYR 433 Ca -0.00 -0.29 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 2wc4 h TYR 433 Cb 1.15 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 2wc4 h TYR 433 CO 0.05 1.08 0.15 2.35 -1.05 0.00 0.00 178.16 180.74 2wc4 h TRP 434 N 0.27 0.51 -0.61 4.88 7.01 -0.80 -2.70 115.95 124.51 2wc4 h TRP 434 Ca -0.05 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.86 2wc4 h TRP 434 Cb 1.42 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.30 2wc4 h TRP 434 CO 0.05 0.45 0.15 -0.92 -2.79 0.00 0.00 178.44 175.39 2wc4 h TYR 435 N 0.41 1.03 -0.91 2.65 3.20 -0.89 -1.49 116.97 120.97 2wc4 h TYR 435 Ca 0.12 -0.12 0.22 0.00 3.14 0.00 0.00 58.73 62.09 2wc4 h TYR 435 Cb 0.15 -0.29 -0.12 0.00 1.54 0.00 0.00 36.73 38.01 2wc4 h TYR 435 CO -0.01 0.87 0.42 1.03 -1.64 0.00 0.00 178.16 178.83 2wc4 h SER 436 N 0.90 0.38 -0.16 -2.11 0.87 -1.35 0.35 113.55 112.42 2wc4 h SER 436 Ca 0.19 0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.78 2wc4 h SER 436 Cb 0.35 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2wc4 h SER 436 CO 0.00 0.01 -0.31 0.78 -0.53 0.00 0.00 176.83 176.78 2wc4 h ASN 437 N 0.42 0.68 -0.65 6.23 2.35 -0.95 -0.56 115.58 123.10 2wc4 h ASN 437 Ca 0.57 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2wc4 h ASN 437 Cb 1.09 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 2wc4 h ASN 437 CO -0.52 0.94 0.34 0.58 -1.65 0.00 0.00 177.43 177.12 2wc4 h VAL 438 N 0.56 1.21 -0.20 2.81 2.07 -0.58 -1.15 116.25 120.97 2wc4 h VAL 438 Ca 0.07 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2wc4 h VAL 438 Cb 0.81 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2wc4 h VAL 438 CO 0.07 0.24 0.01 0.58 0.02 0.00 0.00 177.57 178.48 2wc4 h VAL 439 N 0.89 1.25 -0.14 2.57 2.07 -0.79 0.10 116.25 122.20 2wc4 h VAL 439 Ca 0.23 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2wc4 h VAL 439 Cb 0.07 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2wc4 h VAL 439 CO -0.03 0.26 -0.02 0.50 0.02 0.00 0.00 177.57 178.29 2wc4 h LYS 440 N 0.11 0.20 -0.01 1.57 3.64 -0.90 -1.98 116.57 119.20 2wc4 h LYS 440 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wc4 h LYS 440 Cb 0.38 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wc4 h LYS 440 CO 0.01 0.25 -0.39 0.09 -2.27 0.00 0.00 179.45 177.13 2wc4 n ASN 441 N -4.39 1.50 -4.02 4.20 3.02 -0.45 -4.96 115.26 110.15 2wc4 n ASN 441 Ca -0.01 -1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 53.05 2wc4 n ASN 441 Cb 0.18 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 2wc4 n ASN 441 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wc4 n ASN 442 N -0.39 -3.49 0.00 6.41 5.15 0.18 -4.82 115.26 118.29 2wc4 n ASN 442 Ca 0.10 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 2wc4 n ASN 442 Cb 0.40 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.27 2wc4 n ASN 442 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wc4 n GLY 443 N -1.61 0.22 3.82 8.20 0.00 -0.17 -0.65 105.19 115.00 2wc4 n GLY 443 Ca -0.01 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 2wc4 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc4 s LEU 444 N 0.00 4.10 0.00 0.99 1.43 -0.58 -4.41 118.68 120.21 2wc4 s LEU 444 Ca 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2wc4 s LEU 444 Cb 0.00 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2wc4 s LEU 444 CO 0.00 0.34 0.00 -0.62 0.23 0.00 0.00 176.35 176.30