#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 1.30 -0.07 1.45 1.02 0.11 -4.99 119.74 118.56 2wc4 s LYS 4 Ca 0.00 -1.58 -0.16 0.00 0.02 0.00 0.00 55.97 54.25 2wc4 s LYS 4 Cb 0.00 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 2wc4 s LYS 4 CO 0.00 -0.92 0.42 0.21 -0.92 0.00 0.00 175.35 174.14 2wc4 s LYS 5 N 1.14 4.14 0.64 1.68 2.47 -1.26 -1.35 119.74 127.20 2wc4 s LYS 5 Ca 0.09 0.38 -0.05 0.00 -1.56 0.00 0.00 55.97 54.82 2wc4 s LYS 5 Cb -0.19 -3.34 0.04 0.00 -1.46 0.00 0.00 37.83 32.88 2wc4 s LYS 5 CO -0.13 0.41 0.94 -0.06 0.16 0.00 0.00 175.35 176.67 2wc4 s PHE 6 N -0.16 3.05 0.67 4.03 0.40 0.56 -5.00 117.98 121.52 2wc4 s PHE 6 Ca 0.23 0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 56.87 2wc4 s PHE 6 Cb -0.15 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.42 2wc4 s PHE 6 CO 0.11 -1.11 1.22 -2.14 0.70 0.00 0.00 175.22 173.99 2wc4 s PRO 7 N -5.09 2.51 0.19 0.24 0.02 -1.26 -4.89 135.00 126.72 2wc4 s PRO 7 Ca 0.57 1.82 -0.33 0.00 0.02 0.00 0.00 61.00 63.08 2wc4 s PRO 7 Cb -0.11 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.40 2wc4 s PRO 7 CO 0.44 -1.56 1.49 -1.91 -0.33 0.00 0.00 177.00 175.13 2wc4 n GLU 8 N -2.19 2.02 -1.00 5.54 2.13 -1.26 -1.75 120.64 124.12 2wc4 n GLU 8 Ca 0.14 0.73 -0.00 0.00 0.66 0.00 0.00 57.16 58.68 2wc4 n GLU 8 Cb 0.50 -2.44 -0.00 0.00 0.27 0.00 0.00 31.44 29.77 2wc4 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wc4 n GLY 9 N 2.85 0.44 3.64 8.31 0.00 -1.26 -5.00 105.19 114.17 2wc4 n GLY 9 Ca 0.15 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.86 1.85 -3.28 1.61 7.35 -0.72 -4.92 117.46 116.48 2wc4 n PHE 10 Ca -0.00 0.55 -0.45 0.00 -0.76 0.00 0.00 57.45 56.80 2wc4 n PHE 10 Cb 0.07 -2.38 -0.06 0.00 0.35 0.00 0.00 39.48 37.46 2wc4 n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2wc4 s LEU 11 N 0.06 5.53 -0.17 -2.13 1.43 -0.47 -4.97 118.68 117.94 2wc4 s LEU 11 Ca 0.65 -1.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.19 2wc4 s LEU 11 Cb -0.68 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2wc4 s LEU 11 CO 0.55 -0.80 0.81 0.26 0.23 0.00 0.00 176.35 177.39 2wc4 s TRP 12 N 2.01 3.41 0.37 0.29 0.52 -1.26 -1.06 118.94 123.22 2wc4 s TRP 12 Ca 0.08 1.21 0.04 0.00 0.02 0.00 0.00 56.10 57.45 2wc4 s TRP 12 Cb -0.24 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 2wc4 s TRP 12 CO 0.07 -0.23 0.11 0.20 0.02 0.00 0.00 176.95 177.12 2wc4 s GLY 13 N 1.16 2.39 0.13 0.98 0.00 0.54 -1.28 107.32 111.24 2wc4 s GLY 13 Ca 0.37 -1.51 0.04 0.00 0.00 0.00 0.00 44.72 43.62 2wc4 s GLY 13 CO 0.12 -1.80 -0.10 -1.34 0.00 0.00 0.00 173.10 169.98 2wc4 s VAL 14 N -3.29 1.05 0.05 1.40 -7.23 -0.88 -1.54 120.40 109.95 2wc4 s VAL 14 Ca 0.28 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2wc4 s VAL 14 Cb 0.05 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 2wc4 s VAL 14 CO 0.15 -0.70 -0.11 0.00 -0.31 0.00 0.00 175.10 174.13 2wc4 s ALA 15 N -3.09 0.88 0.35 1.32 0.00 -0.35 -1.24 121.76 119.63 2wc4 s ALA 15 Ca 0.13 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2wc4 s ALA 15 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2wc4 s ALA 15 CO -0.00 0.10 0.40 0.95 0.00 0.00 0.00 175.76 177.21 2wc4 s THR 16 N -1.10 0.00 0.02 0.00 -4.23 -0.21 -2.58 115.64 107.54 2wc4 s THR 16 Ca -0.04 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2wc4 s THR 16 Cb -0.09 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 2wc4 s THR 16 CO 0.01 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.06 2wc4 s ALA 17 N -3.13 0.14 0.12 3.99 0.00 -1.26 -3.86 121.76 117.76 2wc4 s ALA 17 Ca 0.36 -0.54 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 2wc4 s ALA 17 Cb 0.01 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 2wc4 s ALA 17 CO 0.25 -0.13 1.63 0.66 0.00 0.00 0.00 175.76 178.16 2wc4 h SER 18 N 4.80 -0.85 0.89 0.00 4.64 -1.89 -2.41 113.55 118.73 2wc4 h SER 18 Ca -0.31 0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 2wc4 h SER 18 Cb 1.21 0.34 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2wc4 h SER 18 CO 0.42 -0.36 -0.14 0.22 -0.87 0.00 0.00 176.83 176.10 2wc4 h TYR 19 N -0.45 0.00 0.00 4.77 3.20 -1.93 -0.80 116.97 121.75 2wc4 h TYR 19 Ca 0.05 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2wc4 h TYR 19 Cb 0.53 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2wc4 h TYR 19 CO -0.30 0.14 -0.19 1.96 -1.64 0.00 0.00 178.16 178.13 2wc4 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.70 -3.38 115.11 116.05 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 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2wc4 h GLN 20 CO 0.02 0.19 -0.88 0.44 -0.67 0.00 0.00 178.83 177.93 2wc4 n ILE 21 N -3.18 0.00 0.03 2.54 -5.35 -0.96 -1.92 119.36 110.52 2wc4 n ILE 21 Ca 0.03 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.32 2wc4 n ILE 21 Cb 0.56 0.17 -0.14 0.00 -1.74 0.00 0.00 39.64 38.48 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 0.24 0.00 6.28 5.08 -1.34 -1.88 114.58 122.97 2wc4 h GLU 22 Ca 0.00 -0.41 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2wc4 h GLU 22 Cb 0.18 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2wc4 h GLU 22 CO 0.00 1.20 -0.13 0.41 -1.00 0.00 0.00 179.01 179.49 2wc4 n GLY 23 N 1.66 -1.99 3.75 -3.84 0.00 -1.22 -1.29 105.19 102.27 2wc4 n GLY 23 Ca -0.13 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.61 -1.97 0.23 1.61 7.64 0.25 -4.73 113.62 115.05 2wc4 n SER 24 Ca 0.00 -0.81 0.14 0.00 1.01 0.00 0.00 58.87 59.21 2wc4 n SER 24 Cb 0.16 -4.01 0.79 0.00 -1.01 0.00 0.00 64.21 60.14 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 -1.93 0.00 -0.21 1.43 0.13 -1.82 -2.16 132.00 127.45 2wc4 h PRO 25 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 2wc4 n LEU 26 N -4.08 3.14 -4.76 1.56 4.77 -1.26 -4.64 117.00 111.74 2wc4 n LEU 26 Ca -0.00 -2.63 -0.37 0.00 -0.03 0.00 0.00 56.01 52.98 2wc4 n LEU 26 Cb 0.21 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2wc4 n LEU 26 CO 0.30 0.68 0.88 0.00 -1.33 0.00 0.00 177.39 177.92 2wc4 s ALA 27 N -2.12 2.77 -1.42 -1.18 0.00 -0.81 -3.82 121.76 115.18 2wc4 s ALA 27 Ca 0.30 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 2wc4 s ALA 27 Cb 0.23 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.92 2wc4 s ALA 27 CO 0.09 -1.07 1.13 -0.25 0.00 0.00 0.00 175.76 175.66 2wc4 n ASP 28 N -1.06 -5.91 0.00 0.00 8.00 -1.26 -1.73 116.55 114.59 2wc4 n ASP 28 Ca 0.11 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2wc4 n ASP 28 Cb 0.48 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 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 -1.92 0.50 3.74 0.44 0.00 -1.25 -4.66 105.19 102.05 2wc4 n GLY 29 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.12 2.34 0.51 4.61 0.00 -0.70 -4.79 121.76 121.60 2wc4 s ALA 30 Ca 0.00 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 2wc4 s ALA 30 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2wc4 s ALA 30 CO 0.00 -1.56 0.80 0.20 0.00 0.00 0.00 175.76 175.21 2wc4 s GLY 31 N -1.71 1.53 0.47 0.00 0.00 -0.36 -4.71 107.32 102.53 2wc4 s GLY 31 Ca 0.78 -0.61 -0.23 0.00 0.00 0.00 0.00 44.72 44.66 2wc4 s GLY 31 CO 0.40 -0.41 1.19 1.06 0.00 0.00 0.00 173.10 175.34 2wc4 s MET 32 N -4.79 3.70 0.39 2.90 -1.94 -1.26 -4.61 119.30 113.69 2wc4 s MET 32 Ca 0.49 1.85 0.07 0.00 -1.71 0.00 0.00 55.69 56.39 2wc4 s MET 32 Cb -0.10 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.33 2wc4 s MET 32 CO 0.44 -0.62 0.54 -1.54 -0.01 0.00 0.00 175.02 173.83 2wc4 s SER 33 N -1.28 5.77 0.56 3.03 1.04 -1.26 -0.63 113.70 120.93 2wc4 s SER 33 Ca 0.64 -0.31 0.33 0.00 0.48 0.00 0.00 55.95 57.09 2wc4 s SER 33 Cb -0.30 -0.90 1.59 0.00 0.10 0.00 0.00 66.02 66.50 2wc4 s SER 33 CO 0.37 -0.64 2.09 0.16 0.98 0.00 0.00 173.24 176.19 2wc4 h ILE 34 N 0.72 0.27 -0.00 -1.02 3.07 -0.80 -1.89 117.51 117.86 2wc4 h ILE 34 Ca -0.42 -0.47 -0.20 0.00 1.55 0.00 0.00 64.86 65.32 2wc4 h ILE 34 Cb 1.27 1.36 -0.01 0.00 -0.27 0.00 0.00 36.82 39.17 2wc4 h ILE 34 CO 0.48 0.07 -0.87 -0.50 -1.05 0.00 0.00 178.15 176.28 2wc4 h TRP 35 N 0.00 0.31 -0.07 0.16 4.06 -1.83 -0.49 115.95 118.08 2wc4 h TRP 35 Ca -0.00 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.78 2wc4 h TRP 35 Cb 0.36 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2wc4 h TRP 35 CO 0.00 0.97 0.04 1.25 -3.56 0.00 0.00 178.44 177.14 2wc4 h HIS 36 N 0.12 0.09 -0.10 0.49 2.76 -1.81 -0.85 115.15 115.86 2wc4 h HIS 36 Ca -0.04 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.93 2wc4 h HIS 36 Cb 1.49 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.42 2wc4 h HIS 36 CO 0.03 0.13 -0.75 1.79 -1.30 0.00 0.00 177.93 177.82 2wc4 h THR 37 N 0.03 1.35 -0.32 6.26 1.35 -1.36 -1.84 112.91 118.37 2wc4 h THR 37 Ca 0.02 -2.10 -0.04 0.00 -0.55 0.00 0.00 66.41 63.74 2wc4 h THR 37 Cb 0.06 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 2wc4 h THR 37 CO -0.00 0.64 0.04 0.15 -0.25 0.00 0.00 175.52 176.10 2wc4 h PHE 38 N 0.36 0.58 0.00 4.73 3.57 -1.11 -2.81 116.94 122.26 2wc4 h PHE 38 Ca -0.04 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2wc4 h PHE 38 Cb 1.35 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2wc4 h PHE 38 CO 0.06 0.63 -0.12 0.66 -2.23 0.00 0.00 178.31 177.31 2wc4 h SER 39 N 0.36 0.00 -0.06 0.41 4.64 -1.09 -2.11 113.55 115.70 2wc4 h SER 39 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2wc4 h SER 39 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2wc4 h SER 39 CO 0.01 0.12 0.00 1.41 -0.87 0.00 0.00 176.83 177.50 2wc4 n HIS 40 N -3.16 0.08 -3.46 4.77 8.25 -0.70 -4.69 115.22 116.31 2wc4 n HIS 40 Ca 0.02 -0.04 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 2wc4 n HIS 40 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.92 5.24 0.34 1.59 2.01 -0.79 -5.05 115.64 117.05 2wc4 s THR 41 Ca 0.30 0.57 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 2wc4 s THR 41 Cb 0.15 -3.67 -0.12 0.00 0.01 0.00 0.00 72.50 68.87 2wc4 s THR 41 CO 0.24 0.27 1.43 -2.65 -0.69 0.00 0.00 174.62 173.22 2wc4 n PRO 42 N 4.44 2.42 -0.11 4.92 -0.02 -1.26 -3.08 135.00 142.31 2wc4 n PRO 42 Ca -0.10 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2wc4 n PRO 42 Cb 0.51 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.02 0.89 0.09 -1.23 0.00 -1.26 -4.93 105.19 99.77 2wc4 n GLY 43 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2wc4 n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wc4 n ASN 44 N 0.00 0.83 -4.06 1.61 3.02 -1.18 -4.92 115.26 110.57 2wc4 n ASN 44 Ca 0.00 0.36 -0.20 0.00 -0.03 0.00 0.00 54.58 54.71 2wc4 n ASN 44 Cb 0.00 0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 39.26 2wc4 n ASN 44 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wc4 s VAL 45 N -2.97 0.90 0.28 2.41 1.01 -1.26 -4.77 120.40 115.99 2wc4 s VAL 45 Ca -0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2wc4 s VAL 45 Cb 0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 36.38 35.58 2wc4 s VAL 45 CO 0.81 0.26 1.19 1.17 0.00 0.00 0.00 175.10 178.52 2wc4 n LYS 46 N 2.85 1.69 -1.11 2.72 4.81 -0.31 -1.86 118.16 126.94 2wc4 n LYS 46 Ca -0.14 0.59 -0.04 0.00 -0.87 0.00 0.00 58.31 57.85 2wc4 n LYS 46 Cb 0.56 -2.10 -0.02 0.00 0.02 0.00 0.00 35.03 33.50 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 1.38 -5.63 -2.27 3.14 3.02 -1.26 -2.03 115.26 111.61 2wc4 n ASN 47 Ca 0.09 0.10 -0.19 0.00 -0.03 0.00 0.00 54.58 54.55 2wc4 n ASN 47 Cb 0.32 -3.47 -0.00 0.00 -0.61 0.00 0.00 39.78 36.01 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 0.37 -0.42 3.78 7.41 0.00 -0.78 -4.98 105.19 110.57 2wc4 n GLY 48 Ca -0.04 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.22 6.38 0.25 1.61 1.01 -0.86 -5.03 116.67 117.81 2wc4 s ASP 49 Ca 0.04 2.10 0.03 0.00 0.71 0.00 0.00 52.55 55.42 2wc4 s ASP 49 Cb -0.02 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2wc4 s ASP 49 CO 0.05 -0.76 0.04 0.42 0.21 0.00 0.00 175.17 175.13 2wc4 s THR 50 N -1.72 0.89 -0.84 -1.27 -4.23 -1.26 -4.79 115.64 102.42 2wc4 s THR 50 Ca 0.63 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.16 2wc4 s THR 50 Cb -0.22 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.31 2wc4 s THR 50 CO 0.27 -0.19 0.76 0.61 -0.54 0.00 0.00 174.62 175.53 2wc4 n GLY 51 N -0.46 1.81 0.35 3.99 0.00 -1.26 -4.47 105.19 105.15 2wc4 n GLY 51 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 0.82 0.92 0.00 1.61 3.32 -1.94 -3.31 116.42 117.84 2wc4 h ASP 52 Ca 0.00 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 2wc4 h ASP 52 Cb 0.81 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2wc4 h ASP 52 CO 0.10 0.70 -1.66 0.52 -1.72 0.00 0.00 179.24 177.18 2wc4 n VAL 53 N -4.39 0.65 -0.83 -1.35 0.31 -1.26 -0.58 118.33 110.89 2wc4 n VAL 53 Ca 0.08 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2wc4 n VAL 53 Cb 0.06 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 -3.45 0.00 1.17 3.52 0.00 -1.26 -0.40 120.51 120.09 2wc4 n ALA 54 Ca -0.23 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.28 2wc4 n ALA 54 Cb 0.67 0.00 0.25 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 0.29 -3.72 0.27 0.00 2.03 0.46 -4.82 116.55 111.06 2wc4 n ASP 56 Ca 0.13 -0.12 0.14 0.00 0.52 0.00 0.00 54.79 55.45 2wc4 n ASP 56 Cb 0.27 -3.11 0.77 0.00 -0.72 0.00 0.00 41.12 38.33 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 -0.58 0.00 -0.93 -0.67 -0.00 -1.00 -0.13 115.15 111.85 2wc4 h HIS 57 Ca -0.36 0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.21 2wc4 h HIS 57 Cb 1.25 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.58 2wc4 h HIS 57 CO 0.69 0.09 0.60 -0.92 -0.00 0.00 0.00 177.93 178.39 2wc4 h TYR 58 N 0.00 0.70 0.00 5.26 3.20 -1.42 -0.29 116.97 124.41 2wc4 h TYR 58 Ca -0.00 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.55 2wc4 h TYR 58 Cb 0.28 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 2wc4 h TYR 58 CO 0.00 0.18 -2.30 0.09 -1.64 0.00 0.00 178.16 174.49 2wc4 n ASN 59 N -4.57 0.09 -1.27 -2.11 3.02 -0.45 -4.61 115.26 105.36 2wc4 n ASN 59 Ca 0.20 0.04 0.10 0.00 -0.03 0.00 0.00 54.58 54.89 2wc4 n ASN 59 Cb 0.65 0.94 0.30 0.00 -0.61 0.00 0.00 39.78 41.06 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 -2.76 3.01 -0.33 3.52 1.74 -0.19 -4.66 116.66 117.00 2wc4 n ARG 60 Ca -0.30 -2.62 0.15 0.00 -0.77 0.00 0.00 57.85 54.31 2wc4 n ARG 60 Cb 1.12 -1.60 0.37 0.00 -1.02 0.00 0.00 32.46 31.33 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 3.77 0.96 -0.25 -1.55 5.08 -1.30 -1.79 115.95 120.86 2wc4 h TRP 61 Ca 0.00 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.95 2wc4 h TRP 61 Cb 1.07 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 26.93 2wc4 h TRP 61 CO 0.51 0.20 -0.02 -0.22 -1.28 0.00 0.00 178.44 177.63 2wc4 h LYS 62 N 0.67 0.46 -0.62 0.12 3.64 -1.87 -0.75 116.57 118.22 2wc4 h LYS 62 Ca 0.57 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 2wc4 h LYS 62 Cb 1.00 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 2wc4 h LYS 62 CO -0.35 0.65 0.34 1.49 -2.27 0.00 0.00 179.45 179.31 2wc4 h GLU 63 N 0.23 0.61 -0.56 1.90 4.81 -1.71 0.05 114.58 119.90 2wc4 h GLU 63 Ca 0.07 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2wc4 h GLU 63 Cb 0.46 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2wc4 h GLU 63 CO 0.02 0.40 0.23 -0.44 -0.73 0.00 0.00 179.01 178.49 2wc4 h ASP 64 N 0.63 0.78 -0.07 1.04 3.32 -1.14 -1.17 116.42 119.80 2wc4 h ASP 64 Ca 0.28 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2wc4 h ASP 64 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wc4 h ASP 64 CO -0.18 0.73 -0.19 0.40 -1.72 0.00 0.00 179.24 178.29 2wc4 h ILE 65 N 0.77 1.24 0.00 0.35 2.04 -0.90 -2.08 117.51 118.94 2wc4 h ILE 65 Ca 0.19 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 2wc4 h ILE 65 Cb 0.20 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2wc4 h ILE 65 CO -0.02 0.35 -0.16 -0.33 0.00 0.00 0.00 178.15 178.00 2wc4 h GLU 66 N 0.40 0.00 -0.20 2.37 5.08 -0.36 -0.66 114.58 121.22 2wc4 h GLU 66 Ca 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2wc4 h GLU 66 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wc4 h GLU 66 CO 0.04 0.16 -0.34 0.82 -1.00 0.00 0.00 179.01 178.69 2wc4 h ILE 67 N 0.00 1.33 -0.74 3.13 2.04 -0.53 0.02 117.51 122.77 2wc4 h ILE 67 Ca -0.00 -1.57 0.07 0.00 1.00 0.00 0.00 64.86 64.36 2wc4 h ILE 67 Cb 0.37 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 2wc4 h ILE 67 CO 0.02 0.48 0.42 0.40 0.00 0.00 0.00 178.15 179.47 2wc4 h ILE 68 N 0.25 0.95 -0.10 -0.67 2.04 -1.07 -1.31 117.51 117.60 2wc4 h ILE 68 Ca 0.01 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2wc4 h ILE 68 Cb 0.93 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2wc4 h ILE 68 CO 0.08 0.14 0.05 -0.08 0.00 0.00 0.00 178.15 178.34 2wc4 h GLU 69 N 0.74 0.15 -0.59 2.37 4.81 -1.06 -1.77 114.58 119.22 2wc4 h GLU 69 Ca 0.34 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2wc4 h GLU 69 Cb 0.24 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2wc4 h GLU 69 CO -0.20 0.19 0.29 -0.22 -0.73 0.00 0.00 179.01 178.34 2wc4 h LYS 70 N 0.06 0.83 0.00 1.92 3.64 -0.39 -1.19 116.57 121.45 2wc4 h LYS 70 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wc4 h LYS 70 Cb 0.09 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2wc4 h LYS 70 CO -0.01 0.64 0.00 1.28 -2.27 0.00 0.00 179.45 179.09 2wc4 n LEU 71 N -4.36 0.30 -0.16 5.20 4.77 -0.55 -4.92 117.00 117.28 2wc4 n LEU 71 Ca 0.05 0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 56.55 2wc4 n LEU 71 Cb 0.12 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2wc4 n LEU 71 CO 0.38 -0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 176.94 2wc4 n GLY 72 N 1.31 0.42 3.75 -0.72 0.00 -0.45 -4.43 105.19 105.08 2wc4 n GLY 72 Ca 0.06 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.07 3.75 -0.14 1.61 1.01 -0.81 -4.87 120.40 118.87 2wc4 s VAL 73 Ca 0.00 1.70 0.17 0.00 0.00 0.00 0.00 61.98 63.85 2wc4 s VAL 73 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2wc4 s VAL 73 CO 0.00 0.38 0.95 0.11 0.00 0.00 0.00 175.10 176.54 2wc4 h LYS 74 N 4.22 0.00 -3.88 2.72 1.79 -1.52 -3.45 116.57 116.46 2wc4 h LYS 74 Ca -0.46 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.88 2wc4 h LYS 74 Cb 1.21 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.68 2wc4 h LYS 74 CO 0.68 0.28 -0.58 0.00 -1.08 0.00 0.00 179.45 178.76 2wc4 s ALA 75 N -2.99 0.03 -0.17 3.86 0.00 -0.73 -1.05 121.76 120.70 2wc4 s ALA 75 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2wc4 s ALA 75 Cb 0.09 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.48 2wc4 s ALA 75 CO 0.80 -0.29 0.02 -0.47 0.00 0.00 0.00 175.76 175.82 2wc4 s TYR 76 N -2.48 1.10 -0.18 0.00 5.04 -0.55 -2.07 117.35 118.21 2wc4 s TYR 76 Ca -0.06 -0.81 -0.20 0.00 -2.44 0.00 0.00 57.07 53.56 2wc4 s TYR 76 Cb -0.02 -1.05 -0.03 0.00 0.35 0.00 0.00 41.96 41.21 2wc4 s TYR 76 CO -0.04 -0.57 0.58 0.50 -1.34 0.00 0.00 175.55 174.68 2wc4 s ARG 77 N 1.83 4.24 0.20 4.97 3.52 -0.37 -0.78 118.95 132.56 2wc4 s ARG 77 Ca -0.00 0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 56.09 2wc4 s ARG 77 Cb -0.16 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 2wc4 s ARG 77 CO -0.07 -0.13 0.28 -0.59 -0.81 0.00 0.00 175.30 173.97 2wc4 s PHE 78 N 1.56 0.69 0.29 5.12 -0.71 -0.49 -1.04 117.98 123.40 2wc4 s PHE 78 Ca 0.28 -1.00 0.12 0.00 -1.04 0.00 0.00 56.93 55.28 2wc4 s PHE 78 Cb -0.16 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2wc4 s PHE 78 CO 0.11 -0.77 -0.18 -1.54 -1.34 0.00 0.00 175.22 171.50 2wc4 s SER 79 N -3.06 3.65 -0.13 1.98 1.04 -1.25 -0.40 113.70 115.54 2wc4 s SER 79 Ca 0.27 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.62 2wc4 s SER 79 Cb 0.04 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2wc4 s SER 79 CO 0.07 0.01 0.05 -0.63 0.98 0.00 0.00 173.24 173.72 2wc4 s ILE 80 N -2.51 4.73 -0.42 -1.02 1.01 -0.84 -4.12 121.20 118.04 2wc4 s ILE 80 Ca 0.30 -0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.61 2wc4 s ILE 80 Cb -0.04 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.39 2wc4 s ILE 80 CO 0.15 0.56 1.01 -0.55 0.00 0.00 0.00 174.94 176.11 2wc4 s SER 81 N -0.47 6.65 0.19 3.58 0.15 -1.26 -4.67 113.70 117.87 2wc4 s SER 81 Ca 0.10 0.49 -0.12 0.00 0.70 0.00 0.00 55.95 57.12 2wc4 s SER 81 Cb -0.12 -2.50 0.18 0.00 -1.71 0.00 0.00 66.02 61.87 2wc4 s SER 81 CO 0.02 -1.03 1.78 -0.25 1.20 0.00 0.00 173.24 174.96 2wc4 h TRP 82 N 8.81 0.50 0.00 3.44 2.91 -1.85 -1.05 115.95 128.71 2wc4 h TRP 82 Ca -0.23 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.81 2wc4 h TRP 82 Cb 1.07 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2wc4 h TRP 82 CO 0.89 0.23 0.00 -0.35 -1.03 0.00 0.00 178.44 178.17 2wc4 n PRO 83 N -4.88 0.12 0.10 2.65 -0.04 -1.26 -0.44 135.00 131.25 2wc4 n PRO 83 Ca 0.06 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2wc4 n PRO 83 Cb 0.16 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.19 0.10 0.54 3.08 -1.44 -0.94 114.38 115.90 2wc4 h ARG 84 Ca 0.00 -0.11 -0.32 0.00 0.07 0.00 0.00 59.98 59.62 2wc4 h ARG 84 Cb 0.31 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2wc4 h ARG 84 CO 0.00 0.64 -1.72 0.82 -1.07 0.00 0.00 179.97 178.65 2wc4 h ILE 85 N 0.16 0.77 -3.05 2.04 1.08 -1.06 -3.34 117.51 114.11 2wc4 h ILE 85 Ca 0.01 -2.32 -0.61 0.00 -0.39 0.00 0.00 64.86 61.56 2wc4 h ILE 85 Cb 0.92 2.47 -0.40 0.00 -3.07 0.00 0.00 36.82 36.75 2wc4 h ILE 85 CO 0.07 0.72 -0.74 -0.76 -0.69 0.00 0.00 178.15 176.75 2wc4 s LEU 86 N -7.34 2.61 0.48 1.44 1.43 0.42 -0.65 118.68 117.07 2wc4 s LEU 86 Ca -0.23 -2.35 0.13 0.00 -1.03 0.00 0.00 54.13 50.65 2wc4 s LEU 86 Cb 0.06 -1.00 1.13 0.00 0.03 0.00 0.00 46.19 46.42 2wc4 s LEU 86 CO 0.73 -0.31 2.11 -0.65 0.23 0.00 0.00 176.35 178.46 2wc4 h PRO 87 N 7.11 0.15 -0.63 1.29 0.11 -1.72 0.22 132.00 138.52 2wc4 h PRO 87 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wc4 h PRO 87 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2wc4 h PRO 87 CO 0.47 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 2wc4 n GLU 88 N -4.50 3.07 0.00 1.05 1.02 -1.26 -4.26 120.64 115.76 2wc4 n GLU 88 Ca -0.01 -2.39 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 2wc4 n GLU 88 Cb 0.09 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 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 1.17 2.11 3.29 0.62 0.00 0.76 -4.59 105.19 108.56 2wc4 n GLY 89 Ca 0.22 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.30 0.22 0.00 2.61 -4.23 -1.26 -4.79 115.64 107.89 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 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 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 -0.50 1.58 3.69 3.99 0.00 -1.26 -4.86 105.19 107.83 2wc4 n GLY 91 Ca 0.02 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2wc4 n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wc4 s ARG 92 N 0.00 4.22 -0.01 1.61 3.52 -1.26 -4.98 118.95 122.05 2wc4 s ARG 92 Ca 0.00 2.24 -0.21 0.00 -0.13 0.00 0.00 55.73 57.63 2wc4 s ARG 92 Cb 0.00 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 2wc4 s ARG 92 CO 0.00 -0.68 0.60 0.08 -0.81 0.00 0.00 175.30 174.50 2wc4 s VAL 93 N 2.42 4.93 -0.47 7.11 1.01 -1.26 -4.21 120.40 129.92 2wc4 s VAL 93 Ca 0.71 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 2wc4 s VAL 93 Cb -0.38 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.10 2wc4 s VAL 93 CO 0.31 0.40 0.66 0.21 0.00 0.00 0.00 175.10 176.67 2wc4 s ASN 94 N -0.06 6.28 0.26 3.32 2.47 0.18 -4.93 114.94 122.45 2wc4 s ASN 94 Ca 0.32 -0.58 -0.03 0.00 0.42 0.00 0.00 52.86 52.99 2wc4 s ASN 94 Cb -0.18 -2.31 0.42 0.00 -1.45 0.00 0.00 41.25 37.72 2wc4 s ASN 94 CO 0.17 -0.86 1.84 -0.61 -3.72 0.00 0.00 177.10 173.92 2wc4 h GLN 95 N 8.96 0.94 -0.06 0.43 5.75 -1.89 -1.76 115.11 127.47 2wc4 h GLN 95 Ca -0.26 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 2wc4 h GLN 95 Cb 1.09 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 2wc4 h GLN 95 CO 0.93 0.62 -0.04 0.87 -2.65 0.00 0.00 178.83 178.56 2wc4 h LYS 96 N 0.96 0.09 -0.15 1.69 1.79 -1.90 0.30 116.57 119.35 2wc4 h LYS 96 Ca 0.42 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.70 2wc4 h LYS 96 Cb 0.30 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2wc4 h LYS 96 CO -0.22 0.14 -0.60 0.78 -1.08 0.00 0.00 179.45 178.48 2wc4 h GLY 97 N 0.32 0.74 0.38 3.86 0.00 -1.45 -2.42 103.07 104.50 2wc4 h GLY 97 Ca 0.02 -1.01 0.11 0.00 0.00 0.00 0.00 47.33 46.45 2wc4 h GLY 97 CO 0.01 0.90 0.35 1.41 0.00 0.00 0.00 176.54 179.20 2wc4 h LEU 98 N 0.35 0.42 -0.88 3.11 3.38 -1.06 -2.93 115.31 117.72 2wc4 h LEU 98 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wc4 h LEU 98 Cb 1.23 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2wc4 h LEU 98 CO 0.13 0.23 0.49 0.44 0.09 0.00 0.00 178.44 179.81 2wc4 h ASP 99 N 0.57 1.09 -0.35 -0.43 3.32 -0.79 0.52 116.42 120.35 2wc4 h ASP 99 Ca 0.37 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2wc4 h ASP 99 Cb 0.44 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2wc4 h ASP 99 CO -0.30 0.87 0.12 0.15 -1.72 0.00 0.00 179.24 178.35 2wc4 h PHE 100 N 1.22 0.55 0.01 4.55 3.57 -1.26 -1.09 116.94 124.51 2wc4 h PHE 100 Ca 0.31 -0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.55 2wc4 h PHE 100 Cb 0.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2wc4 h PHE 100 CO 0.01 0.53 -0.98 1.88 -2.23 0.00 0.00 178.31 177.52 2wc4 h TYR 101 N 0.41 0.06 -0.98 0.41 0.05 -1.36 -3.02 116.97 112.54 2wc4 h TYR 101 Ca 0.11 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.88 2wc4 h TYR 101 Cb 0.23 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2wc4 h TYR 101 CO 0.00 0.99 0.65 -0.91 -1.05 0.00 0.00 178.16 177.84 2wc4 h ASN 102 N 0.01 1.10 -0.66 3.88 2.35 -0.71 0.68 115.58 122.23 2wc4 h ASN 102 Ca -0.02 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2wc4 h ASN 102 Cb 1.71 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.79 2wc4 h ASN 102 CO 0.13 0.77 0.26 0.03 -1.65 0.00 0.00 177.43 176.97 2wc4 h ARG 103 N 1.28 1.02 -0.10 0.81 3.08 -1.11 0.90 114.38 120.26 2wc4 h ARG 103 Ca 0.38 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2wc4 h ARG 103 Cb -0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 2wc4 h ARG 103 CO -0.11 0.84 -0.14 0.82 -1.07 0.00 0.00 179.97 180.32 2wc4 h ILE 104 N 1.00 1.38 -0.06 2.04 2.04 -1.31 -1.75 117.51 120.84 2wc4 h ILE 104 Ca 0.23 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.75 2wc4 h ILE 104 Cb 0.22 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2wc4 h ILE 104 CO -0.02 0.39 -0.04 0.40 0.00 0.00 0.00 178.15 178.88 2wc4 h ILE 105 N -0.15 0.87 -0.71 -0.67 2.04 -0.69 -0.16 117.51 118.03 2wc4 h ILE 105 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2wc4 h ILE 105 Cb 0.69 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2wc4 h ILE 105 CO 0.03 0.00 0.44 0.44 0.00 0.00 0.00 178.15 179.06 2wc4 h ASP 106 N -0.05 0.85 -0.62 1.72 3.32 -0.82 -1.64 116.42 119.17 2wc4 h ASP 106 Ca 0.04 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2wc4 h ASP 106 Cb 0.11 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2wc4 h ASP 106 CO -0.09 0.65 0.25 0.74 -1.72 0.00 0.00 179.24 179.07 2wc4 h THR 107 N 0.97 1.23 -0.41 0.35 2.02 -1.00 0.52 112.91 116.59 2wc4 h THR 107 Ca 0.26 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2wc4 h THR 107 Cb -0.05 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2wc4 h THR 107 CO -0.05 0.29 0.22 -0.07 0.37 0.00 0.00 175.52 176.27 2wc4 h LEU 108 N 0.87 0.52 -0.59 2.58 3.38 -0.57 -2.01 115.31 119.49 2wc4 h LEU 108 Ca 0.21 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2wc4 h LEU 108 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2wc4 h LEU 108 CO -0.02 0.47 -0.20 -0.07 0.09 0.00 0.00 178.44 178.72 2wc4 h LEU 109 N 0.52 0.93 -2.00 1.67 3.38 -0.97 -0.02 115.31 118.82 2wc4 h LEU 109 Ca 0.14 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2wc4 h LEU 109 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wc4 h LEU 109 CO -0.02 1.09 0.31 -0.33 0.09 0.00 0.00 178.44 179.58 2wc4 h GLU 110 N 0.80 0.00 -0.28 1.13 5.08 -0.64 -0.30 114.58 120.36 2wc4 h GLU 110 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2wc4 h GLU 110 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2wc4 h GLU 110 CO 0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 2wc4 n LYS 111 N -4.40 2.26 -1.74 2.33 5.02 -0.57 -4.94 118.16 116.12 2wc4 n LYS 111 Ca 0.07 -1.90 -0.11 0.00 -2.02 0.00 0.00 58.31 54.35 2wc4 n LYS 111 Cb 0.50 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.38 0.61 3.71 0.72 0.00 -0.12 -5.00 105.19 106.48 2wc4 n GLY 112 Ca 0.18 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.48 5.17 -0.18 -0.61 1.01 -0.13 -4.92 121.20 119.07 2wc4 s ILE 113 Ca 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.52 2wc4 s ILE 113 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2wc4 s ILE 113 CO 0.00 0.47 0.73 -0.89 0.00 0.00 0.00 174.94 175.25 2wc4 s THR 114 N 0.19 4.95 0.08 2.92 2.01 -0.22 -4.06 115.64 121.51 2wc4 s THR 114 Ca 0.07 1.40 -0.25 0.00 0.31 0.00 0.00 61.69 63.23 2wc4 s THR 114 Cb -0.12 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 2wc4 s THR 114 CO -0.01 0.07 0.75 -2.16 -0.69 0.00 0.00 174.62 172.59 2wc4 s PRO 115 N 2.00 4.50 -0.24 4.92 0.04 -1.26 -1.48 135.00 143.47 2wc4 s PRO 115 Ca 0.33 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2wc4 s PRO 115 Cb -0.16 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.09 2wc4 s PRO 115 CO 0.11 0.39 -0.10 -0.06 0.04 0.00 0.00 177.00 177.39 2wc4 s PHE 116 N -0.44 3.08 -0.25 0.56 0.40 0.04 -4.12 117.98 117.24 2wc4 s PHE 116 Ca 0.37 -1.80 -0.10 0.00 -0.60 0.00 0.00 56.93 54.80 2wc4 s PHE 116 Cb -0.21 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 2wc4 s PHE 116 CO 0.24 -0.79 0.14 0.08 0.70 0.00 0.00 175.22 175.59 2wc4 s VAL 117 N 1.25 5.03 -0.35 -0.44 1.01 -0.83 -1.39 120.40 124.68 2wc4 s VAL 117 Ca -0.02 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 2wc4 s VAL 117 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2wc4 s VAL 117 CO -0.06 0.31 0.80 -0.89 0.00 0.00 0.00 175.10 175.27 2wc4 s THR 118 N 1.42 4.73 0.18 3.92 2.01 0.47 -0.59 115.64 127.78 2wc4 s THR 118 Ca 0.07 0.99 -0.10 0.00 0.31 0.00 0.00 61.69 62.96 2wc4 s THR 118 Cb -0.15 -4.21 0.08 0.00 0.01 0.00 0.00 72.50 68.23 2wc4 s THR 118 CO 0.07 -0.41 1.69 0.40 -0.69 0.00 0.00 174.62 175.68 2wc4 h ILE 119 N 5.73 1.26 -3.27 1.82 2.04 -1.05 -2.23 117.51 121.80 2wc4 h ILE 119 Ca -0.24 -0.96 -0.53 0.00 1.00 0.00 0.00 64.86 64.12 2wc4 h ILE 119 Cb 1.09 0.66 -0.40 0.00 -0.74 0.00 0.00 36.82 37.44 2wc4 h ILE 119 CO 0.91 0.36 -0.77 -0.47 0.00 0.00 0.00 178.15 178.19 2wc4 s TYR 120 N -5.27 1.20 -0.37 1.37 5.04 -0.95 -4.41 117.35 113.96 2wc4 s TYR 120 Ca -0.12 -1.05 0.09 0.00 -2.44 0.00 0.00 57.07 53.56 2wc4 s TYR 120 Cb 0.14 -1.16 0.44 0.00 0.35 0.00 0.00 41.96 41.73 2wc4 s TYR 120 CO 0.83 -0.67 1.10 1.58 -1.34 0.00 0.00 175.55 177.05 2wc4 n HIS 121 N 5.00 2.65 0.00 4.97 -0.00 -1.26 -1.10 115.22 125.48 2wc4 n HIS 121 Ca -0.08 -2.77 0.00 0.00 0.46 0.00 0.00 57.72 55.33 2wc4 n HIS 121 Cb 0.46 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 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 -0.46 0.00 -2.68 1.57 8.01 -1.26 -4.83 117.44 117.79 2wc4 n TRP 122 Ca 0.32 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.08 2wc4 n TRP 122 Cb 0.77 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 30.08 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 6.37 -4.72 -0.99 5.75 -1.26 -4.69 116.55 117.00 2wc4 n ASP 123 Ca 0.00 -3.35 -0.42 0.00 -0.01 0.00 0.00 54.79 51.00 2wc4 n ASP 123 Cb 0.00 -1.32 -0.01 0.00 -1.03 0.00 0.00 41.12 38.76 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 1.81 3.98 -4.75 -2.12 7.94 -1.26 -4.21 117.00 118.39 2wc4 n LEU 124 Ca 0.36 1.20 -0.42 0.00 -1.11 0.00 0.00 56.01 56.04 2wc4 n LEU 124 Cb 0.32 -1.53 -0.01 0.00 0.53 0.00 0.00 43.42 42.72 2wc4 n LEU 124 CO 0.72 -0.20 1.22 -2.65 -1.11 0.00 0.00 177.39 175.36 2wc4 n PRO 125 N 0.90 2.68 -0.04 1.96 -0.02 -1.26 -0.13 135.00 139.10 2wc4 n PRO 125 Ca 0.05 0.95 -0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2wc4 n PRO 125 Cb 0.36 -2.72 0.29 0.00 -0.02 0.00 0.00 33.50 31.42 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 4.43 0.62 -0.92 6.00 3.57 -1.11 -1.52 116.94 128.00 2wc4 h PHE 126 Ca -0.48 -0.05 0.20 0.00 3.53 0.00 0.00 57.97 61.18 2wc4 h PHE 126 Cb 1.23 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 2wc4 h PHE 126 CO 0.57 0.54 0.60 0.00 -2.23 0.00 0.00 178.31 177.80 2wc4 h ALA 127 N 1.51 2.10 0.04 2.41 0.00 -1.85 -1.49 119.26 121.97 2wc4 h ALA 127 Ca 0.13 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 2wc4 h ALA 127 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wc4 h ALA 127 CO -0.00 -0.40 -1.12 -0.07 0.00 0.00 0.00 179.25 177.66 2wc4 h LEU 128 N 0.48 0.12 -1.52 0.00 3.38 -1.53 -3.21 115.31 113.04 2wc4 h LEU 128 Ca 0.49 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.40 2wc4 h LEU 128 Cb 1.10 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2wc4 h LEU 128 CO -0.21 1.11 0.42 -0.61 0.09 0.00 0.00 178.44 179.23 2wc4 h GLN 129 N 0.02 0.56 0.00 1.13 5.75 -1.03 -0.10 115.11 121.45 2wc4 h GLN 129 Ca -0.06 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2wc4 h GLN 129 Cb 1.84 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 30.26 2wc4 h GLN 129 CO 0.15 0.37 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.59 2wc4 h LEU 130 N 0.58 0.00 -3.17 -2.39 3.38 -1.37 0.50 115.31 112.84 2wc4 h LEU 130 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2wc4 h LEU 130 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wc4 h LEU 130 CO -0.09 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.78 2wc4 n LYS 131 N -3.33 3.75 0.00 1.13 5.02 -0.47 -4.92 118.16 119.34 2wc4 n LYS 131 Ca -0.02 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 2wc4 n LYS 131 Cb 0.19 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.95 0.85 7.00 0.72 0.00 0.17 -4.69 105.19 110.19 2wc4 n GLY 132 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.45 2.97 0.00 -0.02 0.00 -0.17 -1.36 105.19 105.15 2wc4 n GLY 133 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 0.51 1.61 7.02 -1.26 -2.03 117.44 137.28 2wc4 n TRP 134 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2wc4 n TRP 134 Cb 0.00 -0.46 0.29 0.00 -2.42 0.00 0.00 31.31 28.71 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 2.39 0.89 -2.71 6.99 0.00 -1.53 -3.34 119.26 121.95 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 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 2wc4 h ALA 135 CO 0.00 0.00 -0.20 1.21 0.00 0.00 0.00 179.25 180.26 2wc4 s ASN 136 N -4.85 6.28 0.55 0.00 3.84 -0.86 -4.86 114.94 115.04 2wc4 s ASN 136 Ca 0.08 0.33 0.34 0.00 0.21 0.00 0.00 52.86 53.82 2wc4 s ASN 136 Cb 0.11 -2.22 1.50 0.00 -0.55 0.00 0.00 41.25 40.09 2wc4 s ASN 136 CO 0.65 -0.20 1.83 0.03 -2.79 0.00 0.00 177.10 176.63 2wc4 h ARG 137 N 8.13 0.00 0.00 0.43 3.08 -1.87 -0.43 114.38 123.72 2wc4 h ARG 137 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2wc4 h ARG 137 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2wc4 h ARG 137 CO 0.66 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.95 2wc4 n GLU 138 N -4.14 0.15 0.31 0.04 1.02 -1.26 -2.12 120.64 114.63 2wc4 n GLU 138 Ca 0.21 0.50 0.18 0.00 -0.02 0.00 0.00 57.16 58.04 2wc4 n GLU 138 Cb 1.09 -1.86 1.00 0.00 -0.02 0.00 0.00 31.44 31.65 2wc4 n GLU 138 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2wc4 h ILE 139 N 0.00 0.27 -0.77 -3.67 2.10 -1.33 -0.64 117.51 113.47 2wc4 h ILE 139 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 2wc4 h ILE 139 Cb 0.19 1.10 -0.04 0.00 -1.09 0.00 0.00 36.82 36.98 2wc4 h ILE 139 CO 0.00 0.02 0.49 0.00 -1.08 0.00 0.00 178.15 177.58 2wc4 h ALA 140 N 1.98 0.98 -0.38 0.18 0.00 -1.66 0.32 119.26 120.68 2wc4 h ALA 140 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wc4 h ALA 140 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wc4 h ALA 140 CO 0.00 0.41 0.08 -0.44 0.00 0.00 0.00 179.25 179.30 2wc4 h ASP 141 N 1.05 0.58 -0.50 0.00 3.32 -1.35 -1.84 116.42 117.68 2wc4 h ASP 141 Ca 0.28 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2wc4 h ASP 141 Cb -0.09 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2wc4 h ASP 141 CO -0.06 0.68 0.00 -0.50 -1.72 0.00 0.00 179.24 177.64 2wc4 h TRP 142 N 0.46 0.96 -0.50 4.55 6.55 -0.92 -1.46 115.95 125.59 2wc4 h TRP 142 Ca 0.12 -0.17 -0.06 0.00 0.95 0.00 0.00 58.89 59.73 2wc4 h TRP 142 Cb 0.33 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 2wc4 h TRP 142 CO 0.02 0.90 0.07 0.35 -1.05 0.00 0.00 178.44 178.73 2wc4 h PHE 143 N 0.74 0.81 -0.62 0.49 3.57 -0.41 -1.41 116.94 120.12 2wc4 h PHE 143 Ca 0.14 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2wc4 h PHE 143 Cb 0.51 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2wc4 h PHE 143 CO 0.04 0.71 0.23 0.00 -2.23 0.00 0.00 178.31 177.07 2wc4 h ALA 144 N 1.34 0.81 0.06 2.41 0.00 -0.93 0.61 119.26 123.55 2wc4 h ALA 144 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wc4 h ALA 144 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wc4 h ALA 144 CO 0.01 0.44 -0.03 1.49 0.00 0.00 0.00 179.25 181.16 2wc4 h GLU 145 N 0.87 -0.08 -0.33 0.00 4.81 -1.05 -1.15 114.58 117.65 2wc4 h GLU 145 Ca 0.21 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2wc4 h GLU 145 Cb 0.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2wc4 h GLU 145 CO -0.01 0.16 0.13 -0.92 -0.73 0.00 0.00 179.01 177.64 2wc4 h TYR 146 N -0.31 0.24 -0.97 0.92 3.20 -1.15 -1.33 116.97 117.58 2wc4 h TYR 146 Ca -0.01 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2wc4 h TYR 146 Cb 0.27 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2wc4 h TYR 146 CO 0.00 0.11 0.64 0.66 -1.64 0.00 0.00 178.16 177.94 2wc4 h SER 147 N 0.29 1.10 -0.42 -2.11 4.64 -0.80 -1.84 113.55 114.41 2wc4 h SER 147 Ca 0.15 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2wc4 h SER 147 Cb 0.10 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 2wc4 h SER 147 CO -0.13 0.79 0.22 -0.09 -0.87 0.00 0.00 176.83 176.74 2wc4 h ARG 148 N 1.30 0.59 -0.78 4.77 2.43 -0.68 0.12 114.38 122.13 2wc4 h ARG 148 Ca 0.36 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.52 2wc4 h ARG 148 Cb -0.12 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.26 2wc4 h ARG 148 CO -0.09 0.49 0.46 0.28 -1.51 0.00 0.00 179.97 179.61 2wc4 h VAL 149 N 0.54 0.99 -0.30 0.20 2.07 -0.75 -0.11 116.25 118.90 2wc4 h VAL 149 Ca 0.15 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 2wc4 h VAL 149 Cb 0.08 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2wc4 h VAL 149 CO -0.02 0.15 -0.16 -0.07 0.02 0.00 0.00 177.57 177.49 2wc4 h LEU 150 N 0.83 0.65 -0.62 2.57 3.38 -0.46 -2.26 115.31 119.41 2wc4 h LEU 150 Ca 0.35 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wc4 h LEU 150 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2wc4 h LEU 150 CO -0.19 0.92 0.36 -0.26 0.09 0.00 0.00 178.44 179.37 2wc4 h PHE 151 N 0.38 0.82 -0.33 1.13 0.04 -0.43 0.14 116.94 118.70 2wc4 h PHE 151 Ca 0.06 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.67 2wc4 h PHE 151 Cb 0.68 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2wc4 h PHE 151 CO 0.06 0.57 -0.41 0.93 -0.60 0.00 0.00 178.31 178.86 2wc4 h GLU 152 N 0.83 0.81 0.07 1.51 5.08 -0.99 -0.20 114.58 121.69 2wc4 h GLU 152 Ca 0.22 -0.43 -0.24 0.00 -1.00 0.00 0.00 59.36 57.91 2wc4 h GLU 152 Cb -0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2wc4 h GLU 152 CO -0.04 1.07 -1.10 -0.91 -1.00 0.00 0.00 179.01 177.03 2wc4 h ASN 153 N 0.65 0.27 0.00 1.42 2.35 -1.28 -3.40 115.58 115.59 2wc4 h ASN 153 Ca 0.05 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2wc4 h ASN 153 Cb 0.98 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2wc4 h ASN 153 CO 0.09 1.19 -0.34 0.49 -1.65 0.00 0.00 177.43 177.21 2wc4 n PHE 154 N -3.50 0.00 0.67 1.19 3.72 0.49 -4.74 117.46 115.28 2wc4 n PHE 154 Ca -0.05 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.44 2wc4 n PHE 154 Cb 0.96 -0.01 0.41 0.00 -0.94 0.00 0.00 39.48 39.89 2wc4 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wc4 n GLY 155 N 1.40 -1.13 0.23 1.37 0.00 -0.09 -0.75 105.19 106.23 2wc4 n GLY 155 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2wc4 n GLY 155 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wc4 h ASP 156 N 0.00 0.00 0.00 1.61 2.03 -1.85 -3.37 116.42 114.84 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 0.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2wc4 h ASP 156 CO 0.00 0.17 -1.07 0.54 -1.03 0.00 0.00 179.24 177.86 2wc4 n ARG 157 N -3.31 0.10 -3.03 4.15 1.74 -0.82 -4.98 116.66 110.52 2wc4 n ARG 157 Ca 0.00 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 2wc4 n ARG 157 Cb 0.41 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 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 -2.02 4.95 -0.65 1.55 1.01 0.07 -4.92 120.40 120.39 2wc4 s VAL 158 Ca -0.02 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.37 2wc4 s VAL 158 Cb 0.00 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2wc4 s VAL 158 CO 0.03 0.05 0.61 0.29 0.00 0.00 0.00 175.10 176.08 2wc4 n LYS 159 N 5.34 0.67 -3.90 2.72 4.76 -1.26 -4.44 118.16 122.04 2wc4 n LYS 159 Ca 0.01 -0.71 -0.29 0.00 -2.87 0.00 0.00 58.31 54.45 2wc4 n LYS 159 Cb 0.49 -1.05 -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 -0.64 3.03 0.09 4.39 0.01 -1.26 -0.10 114.94 120.46 2wc4 s ASN 160 Ca 0.06 -0.77 0.08 0.00 -0.71 0.00 0.00 52.86 51.52 2wc4 s ASN 160 Cb 0.05 -0.96 -0.03 0.00 0.41 0.00 0.00 41.25 40.72 2wc4 s ASN 160 CO 0.09 -0.20 -0.20 0.26 -1.51 0.00 0.00 177.10 175.55 2wc4 s TRP 161 N 1.59 1.70 -0.07 2.20 0.52 -0.53 -1.97 118.94 122.39 2wc4 s TRP 161 Ca -0.00 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.72 2wc4 s TRP 161 Cb -0.16 -0.95 0.01 0.00 -1.15 0.00 0.00 33.47 31.23 2wc4 s TRP 161 CO -0.08 0.17 -0.13 0.42 0.02 0.00 0.00 176.95 177.36 2wc4 s ILE 162 N -1.12 1.17 -0.09 2.03 1.01 0.25 -1.25 121.20 123.20 2wc4 s ILE 162 Ca 0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 2wc4 s ILE 162 Cb -0.10 -1.07 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 2wc4 s ILE 162 CO 0.04 0.36 0.55 0.71 0.00 0.00 0.00 174.94 176.60 2wc4 h THR 163 N 5.96 0.77 -3.91 2.92 1.35 -1.50 0.15 112.91 118.65 2wc4 h THR 163 Ca -0.30 -1.37 -0.51 0.00 -0.55 0.00 0.00 66.41 63.68 2wc4 h THR 163 Cb 1.19 1.39 -0.31 0.00 -1.73 0.00 0.00 68.15 68.69 2wc4 h THR 163 CO 0.47 0.24 -0.82 -0.76 -0.25 0.00 0.00 175.52 174.40 2wc4 s LEU 164 N -8.65 1.88 -0.32 3.87 1.43 -1.26 -2.25 118.68 113.38 2wc4 s LEU 164 Ca -0.10 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2wc4 s LEU 164 Cb -0.01 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.41 2wc4 s LEU 164 CO 0.36 0.13 0.73 0.21 0.23 0.00 0.00 176.35 178.01 2wc4 s ASN 165 N 0.05 6.58 -0.95 2.29 2.47 -0.26 -2.26 114.94 122.86 2wc4 s ASN 165 Ca -0.02 0.51 -0.09 0.00 0.42 0.00 0.00 52.86 53.67 2wc4 s ASN 165 Cb -0.10 -2.38 -0.01 0.00 -1.45 0.00 0.00 41.25 37.31 2wc4 s ASN 165 CO 0.01 -0.59 0.75 -0.62 -3.72 0.00 0.00 177.10 172.93 2wc4 n GLU 166 N 6.13 -1.43 0.30 0.43 1.02 0.28 -4.75 120.64 122.62 2wc4 n GLU 166 Ca 0.02 0.87 0.16 0.00 -0.02 0.00 0.00 57.16 58.18 2wc4 n GLU 166 Cb 0.48 -4.46 0.94 0.00 -0.02 0.00 0.00 31.44 28.38 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 -0.81 0.00 -0.79 3.49 0.13 -1.83 -0.06 132.00 132.14 2wc4 h PRO 167 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wc4 h PRO 167 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 2wc4 h PRO 167 CO 0.40 0.01 0.50 2.35 -0.23 0.00 0.00 178.00 181.04 2wc4 h TRP 168 N 0.00 1.00 -0.14 1.56 7.01 -1.92 -0.20 115.95 123.27 2wc4 h TRP 168 Ca -0.00 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 2wc4 h TRP 168 Cb 0.03 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 26.75 2wc4 h TRP 168 CO 0.00 0.65 -0.02 0.28 -2.79 0.00 0.00 178.44 176.56 2wc4 h VAL 169 N 1.07 1.27 -0.53 2.65 2.07 -1.38 0.25 116.25 121.65 2wc4 h VAL 169 Ca 0.29 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2wc4 h VAL 169 Cb -0.09 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2wc4 h VAL 169 CO -0.06 0.26 0.19 0.58 0.02 0.00 0.00 177.57 178.56 2wc4 h VAL 170 N -0.03 0.81 0.13 2.57 2.07 -1.05 0.14 116.25 120.89 2wc4 h VAL 170 Ca 0.04 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2wc4 h VAL 170 Cb 0.41 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2wc4 h VAL 170 CO 0.01 0.07 -0.06 0.00 0.02 0.00 0.00 177.57 177.60 2wc4 h ALA 171 N 1.36 -0.18 0.12 1.67 0.00 -0.93 -3.04 119.26 118.26 2wc4 h ALA 171 Ca 0.26 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2wc4 h ALA 171 Cb 0.29 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wc4 h ALA 171 CO -0.27 -0.22 -0.92 0.82 0.00 0.00 0.00 179.25 178.67 2wc4 h ILE 172 N -0.95 1.39 0.00 0.00 1.08 -0.43 -0.05 117.51 118.56 2wc4 h ILE 172 Ca -0.02 -2.48 -0.18 0.00 -0.39 0.00 0.00 64.86 61.80 2wc4 h ILE 172 Cb 0.48 3.06 -0.02 0.00 -3.07 0.00 0.00 36.82 37.27 2wc4 h ILE 172 CO 0.03 0.69 -0.82 0.58 -0.69 0.00 0.00 178.15 177.94 2wc4 h VAL 173 N -0.43 1.55 0.04 1.67 2.07 -0.86 -0.06 116.25 120.23 2wc4 h VAL 173 Ca -0.18 -2.69 -0.23 0.00 0.82 0.00 0.00 66.70 64.42 2wc4 h VAL 173 Cb 1.61 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 2wc4 h VAL 173 CO 0.10 0.77 -1.07 1.23 0.02 0.00 0.00 177.57 178.63 2wc4 h GLY 174 N 2.21 0.09 0.00 2.17 0.00 -1.29 -1.31 103.07 104.95 2wc4 h GLY 174 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2wc4 h GLY 174 CO 0.11 0.21 0.00 1.42 0.00 0.00 0.00 176.54 178.28 2wc4 n HIS 175 N -3.41 0.00 -0.03 5.60 8.25 -0.03 -1.45 115.22 124.15 2wc4 n HIS 175 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2wc4 n HIS 175 Cb 0.96 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.78 0.74 0.17 2.41 7.94 -0.19 -0.83 117.00 126.47 2wc4 n LEU 176 Ca 0.00 0.12 0.12 0.00 -1.11 0.00 0.00 56.01 55.14 2wc4 n LEU 176 Cb 0.00 -0.29 0.18 0.00 0.53 0.00 0.00 43.42 43.85 2wc4 n LEU 176 CO 0.00 0.01 0.67 1.88 -1.11 0.00 0.00 177.39 178.84 2wc4 h TYR 177 N -0.30 0.00 -1.58 1.96 0.05 -1.28 -3.39 116.97 112.43 2wc4 h TYR 177 Ca -0.17 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.19 2wc4 h TYR 177 Cb 1.00 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.62 2wc4 h TYR 177 CO -0.05 0.00 -0.43 0.41 -1.05 0.00 0.00 178.16 177.04 2wc4 n GLY 178 N 1.16 1.23 0.10 3.88 0.00 -0.73 -4.88 105.19 105.95 2wc4 n GLY 178 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2wc4 n GLY 178 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wc4 n VAL 179 N -2.89 1.03 -4.28 1.61 0.31 -0.54 -4.47 118.33 109.09 2wc4 n VAL 179 Ca -0.22 -0.65 -0.23 0.00 -0.01 0.00 0.00 64.34 63.23 2wc4 n VAL 179 Cb 0.68 -0.63 -0.07 0.00 -0.91 0.00 0.00 33.84 32.91 2wc4 n VAL 179 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2wc4 s HIS 180 N -3.05 2.65 0.48 3.52 3.76 -0.93 -4.72 115.29 117.00 2wc4 s HIS 180 Ca -0.02 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.36 2wc4 s HIS 180 Cb 0.09 -1.31 -0.07 0.00 1.11 0.00 0.00 32.58 32.40 2wc4 s HIS 180 CO 0.80 0.55 1.38 0.00 -0.85 0.00 0.00 174.74 176.63 2wc4 n ALA 181 N -0.93 1.75 0.52 -1.40 0.00 -1.26 -0.18 120.51 119.00 2wc4 n ALA 181 Ca -0.05 0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.65 2wc4 n ALA 181 Cb 0.60 -2.36 0.19 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.47 2.22 -1.85 0.00 -0.04 -1.25 -4.53 135.00 129.09 2wc4 n PRO 182 Ca 0.07 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2wc4 n PRO 182 Cb 0.42 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.00 0.84 3.94 0.55 0.00 0.75 -5.04 105.19 107.23 2wc4 n GLY 183 Ca 0.14 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2wc4 n GLY 183 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wc4 s MET 184 N -3.78 3.51 -0.46 1.61 0.00 -0.53 -4.73 119.30 114.91 2wc4 s MET 184 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 55.69 55.38 2wc4 s MET 184 Cb 0.00 -2.74 0.18 0.00 0.00 0.00 0.00 34.83 32.26 2wc4 s MET 184 CO 0.00 0.27 0.38 0.54 0.00 0.00 0.00 175.02 176.21 2wc4 n ARG 185 N -1.28 0.51 -3.57 4.11 1.74 -1.19 -1.77 116.66 115.21 2wc4 n ARG 185 Ca -0.05 -3.41 -0.13 0.00 -0.77 0.00 0.00 57.85 53.50 2wc4 n ARG 185 Cb 0.55 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.12 2wc4 n ARG 185 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wc4 s ASP 186 N -0.29 0.42 0.40 0.55 -1.08 -0.01 -4.95 116.67 111.70 2wc4 s ASP 186 Ca 0.32 0.44 0.19 0.00 -0.52 0.00 0.00 52.55 52.99 2wc4 s ASP 186 Cb 0.04 0.83 0.81 0.00 -1.46 0.00 0.00 42.92 43.14 2wc4 s ASP 186 CO -0.19 -0.27 1.80 -0.29 0.52 0.00 0.00 175.17 176.75 2wc4 h ILE 187 N 6.25 0.89 -0.09 4.11 2.10 -1.91 0.01 117.51 128.88 2wc4 h ILE 187 Ca -0.16 -1.32 -0.09 0.00 1.08 0.00 0.00 64.86 64.37 2wc4 h ILE 187 Cb 1.13 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 2wc4 h ILE 187 CO 0.18 0.33 -0.29 1.88 -1.08 0.00 0.00 178.15 179.17 2wc4 h TYR 188 N 0.00 0.46 -0.97 2.19 -1.99 -1.94 -2.37 116.97 112.35 2wc4 h TYR 188 Ca -0.00 -0.19 0.01 0.00 2.00 0.00 0.00 58.73 60.55 2wc4 h TYR 188 Cb 0.77 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.37 2wc4 h TYR 188 CO 0.00 0.90 0.64 0.28 -0.00 0.00 0.00 178.16 179.99 2wc4 h VAL 189 N -0.12 1.24 -0.37 -2.88 2.07 -1.79 -1.59 116.25 112.81 2wc4 h VAL 189 Ca -0.01 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2wc4 h VAL 189 Cb 0.92 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2wc4 h VAL 189 CO 0.06 0.24 0.23 0.00 0.02 0.00 0.00 177.57 178.12 2wc4 h ALA 190 N 1.40 0.47 0.00 1.67 0.00 -0.94 0.93 119.26 122.79 2wc4 h ALA 190 Ca 0.36 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2wc4 h ALA 190 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2wc4 h ALA 190 CO -0.08 -0.03 -0.37 0.74 0.00 0.00 0.00 179.25 179.50 2wc4 h PHE 191 N 0.49 0.00 -0.02 0.00 0.04 -1.27 -1.49 116.94 114.68 2wc4 h PHE 191 Ca 0.13 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.77 2wc4 h PHE 191 Cb -0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2wc4 h PHE 191 CO -0.04 0.37 -0.62 0.00 -0.60 0.00 0.00 178.31 177.43 2wc4 h ARG 192 N 0.00 0.09 -0.54 1.51 3.08 -0.65 -2.32 114.38 115.55 2wc4 h ARG 192 Ca -0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2wc4 h ARG 192 Cb 0.84 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2wc4 h ARG 192 CO 0.05 0.68 0.14 0.00 -1.07 0.00 0.00 179.97 179.77 2wc4 h ALA 193 N 1.31 0.71 -0.61 0.04 0.00 -0.37 -0.80 119.26 119.55 2wc4 h ALA 193 Ca -0.01 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2wc4 h ALA 193 Cb 1.10 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2wc4 h ALA 193 CO 0.09 0.40 0.23 0.28 0.00 0.00 0.00 179.25 180.25 2wc4 h VAL 194 N 0.76 0.78 -0.25 0.00 2.07 -1.12 0.64 116.25 119.12 2wc4 h VAL 194 Ca 0.17 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 2wc4 h VAL 194 Cb 0.32 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2wc4 h VAL 194 CO 0.00 0.08 -0.42 -0.74 0.02 0.00 0.00 177.57 176.50 2wc4 h HIS 195 N 0.41 0.90 0.00 1.57 6.17 -1.13 -2.57 115.15 120.51 2wc4 h HIS 195 Ca 0.30 -0.31 -0.10 0.00 0.71 0.00 0.00 60.37 60.97 2wc4 h HIS 195 Cb 0.37 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 2wc4 h HIS 195 CO -0.16 1.10 -0.46 -0.91 0.71 0.00 0.00 177.93 178.20 2wc4 h ASN 196 N 0.45 0.00 -0.28 3.26 2.35 -0.94 -1.41 115.58 119.01 2wc4 h ASN 196 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2wc4 h ASN 196 Cb 1.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 2wc4 h ASN 196 CO 0.10 0.46 0.14 -0.07 -1.65 0.00 0.00 177.43 176.41 2wc4 h LEU 197 N 0.00 0.37 -0.37 1.61 3.38 -0.71 0.83 115.31 120.42 2wc4 h LEU 197 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2wc4 h LEU 197 Cb 0.86 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2wc4 h LEU 197 CO 0.06 0.38 0.25 -0.07 0.09 0.00 0.00 178.44 179.15 2wc4 h LEU 198 N 0.33 0.43 -0.81 1.67 3.38 -1.21 0.02 115.31 119.13 2wc4 h LEU 198 Ca 0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2wc4 h LEU 198 Cb 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2wc4 h LEU 198 CO -0.01 0.31 0.52 0.03 0.09 0.00 0.00 178.44 179.38 2wc4 h ARG 199 N 0.51 0.98 -0.30 1.13 3.08 -1.00 -1.31 114.38 117.47 2wc4 h ARG 199 Ca 0.14 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2wc4 h ARG 199 Cb -0.06 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 2wc4 h ARG 199 CO -0.03 0.65 -0.44 0.00 -1.07 0.00 0.00 179.97 179.08 2wc4 h ALA 200 N 1.34 0.46 -0.28 0.04 0.00 -0.60 -1.93 119.26 118.28 2wc4 h ALA 200 Ca 0.32 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2wc4 h ALA 200 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2wc4 h ALA 200 CO -0.11 0.59 -0.09 1.25 0.00 0.00 0.00 179.25 180.89 2wc4 h HIS 201 N 0.60 -0.20 -0.77 0.00 -0.00 -0.80 -1.22 115.15 112.76 2wc4 h HIS 201 Ca 0.03 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 2wc4 h HIS 201 Cb 1.04 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 2wc4 h HIS 201 CO 0.07 -0.15 0.28 0.00 -0.00 0.00 0.00 177.93 178.13 2wc4 h ALA 202 N 1.24 1.04 -0.87 5.26 0.00 -1.08 -1.02 119.26 123.83 2wc4 h ALA 202 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2wc4 h ALA 202 Cb 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2wc4 h ALA 202 CO -0.31 0.66 0.47 0.00 0.00 0.00 0.00 179.25 180.08 2wc4 h ARG 203 N 1.12 1.22 -0.57 0.00 2.47 -1.08 -1.06 114.38 116.49 2wc4 h ARG 203 Ca 0.25 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 2wc4 h ARG 203 Cb 0.25 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2wc4 h ARG 203 CO -0.02 0.90 0.20 0.00 0.56 0.00 0.00 179.97 181.61 2wc4 h ALA 204 N 1.26 0.74 -0.68 0.04 0.00 -0.69 -1.83 119.26 118.10 2wc4 h ALA 204 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wc4 h ALA 204 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2wc4 h ALA 204 CO -0.05 0.39 0.18 0.28 0.00 0.00 0.00 179.25 180.05 2wc4 h VAL 205 N 0.79 1.26 -0.75 0.00 2.07 -0.94 -0.57 116.25 118.11 2wc4 h VAL 205 Ca 0.19 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2wc4 h VAL 205 Cb 0.25 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2wc4 h VAL 205 CO -0.01 0.36 0.40 0.50 0.02 0.00 0.00 177.57 178.83 2wc4 h LYS 206 N 1.03 1.06 0.00 1.57 3.64 -1.03 -2.05 116.57 120.78 2wc4 h LYS 206 Ca 0.22 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2wc4 h LYS 206 Cb 0.34 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2wc4 h LYS 206 CO -0.00 0.80 -0.40 -0.24 -2.27 0.00 0.00 179.45 177.34 2wc4 h VAL 207 N 1.04 0.69 -0.51 2.00 3.04 -1.05 -2.98 116.25 118.48 2wc4 h VAL 207 Ca 0.26 -1.95 0.04 0.00 -1.01 0.00 0.00 66.70 64.04 2wc4 h VAL 207 Cb 0.06 2.32 -0.04 0.00 -2.01 0.00 0.00 31.29 31.62 2wc4 h VAL 207 CO -0.04 0.39 0.27 0.15 -1.01 0.00 0.00 177.57 177.33 2wc4 h PHE 208 N 0.00 0.51 -0.03 3.17 3.57 -0.53 -2.04 116.94 121.58 2wc4 h PHE 208 Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2wc4 h PHE 208 Cb 1.29 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 2wc4 h PHE 208 CO 0.00 0.26 0.05 0.00 -2.23 0.00 0.00 178.31 176.39 2wc4 h ARG 209 N 0.54 0.00 -0.00 1.11 2.47 -1.23 -0.81 114.38 116.46 2wc4 h ARG 209 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2wc4 h ARG 209 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2wc4 h ARG 209 CO -0.14 0.00 -0.80 0.39 0.56 0.00 0.00 179.97 179.98 2wc4 n GLU 210 N -3.57 0.14 0.00 0.04 1.02 -0.80 -4.58 120.64 112.89 2wc4 n GLU 210 Ca -0.02 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2wc4 n GLU 210 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2wc4 n GLU 210 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wc4 n THR 211 N -1.33 0.00 -4.52 2.62 -2.24 -0.65 -5.03 114.28 103.13 2wc4 n THR 211 Ca 0.05 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 2wc4 n THR 211 Cb 0.34 0.41 -0.17 0.00 -2.10 0.00 0.00 70.33 68.82 2wc4 n THR 211 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wc4 s VAL 212 N -1.33 1.68 -0.11 2.28 1.01 -0.40 -4.79 120.40 118.73 2wc4 s VAL 212 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2wc4 s VAL 212 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2wc4 s VAL 212 CO 0.00 0.48 0.56 -0.75 0.00 0.00 0.00 175.10 175.39 2wc4 s LYS 213 N 0.94 4.35 -1.45 2.72 2.47 -1.26 -4.11 119.74 123.40 2wc4 s LYS 213 Ca -0.07 0.59 -0.09 0.00 -1.56 0.00 0.00 55.97 54.85 2wc4 s LYS 213 Cb -0.15 -3.46 0.03 0.00 -1.46 0.00 0.00 37.83 32.79 2wc4 s LYS 213 CO -0.02 0.08 0.94 -0.25 0.16 0.00 0.00 175.35 176.26 2wc4 n ASP 214 N 3.89 -5.83 -4.86 1.43 10.43 -1.26 -4.99 116.55 115.36 2wc4 n ASP 214 Ca -0.05 -0.51 -0.23 0.00 2.57 0.00 0.00 54.79 56.57 2wc4 n ASP 214 Cb 0.51 -4.64 -0.04 0.00 1.84 0.00 0.00 41.12 38.79 2wc4 n ASP 214 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2wc4 s GLY 215 N -3.10 1.48 -0.01 0.44 0.00 -1.26 -4.92 107.32 99.95 2wc4 s GLY 215 Ca 0.51 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 44.02 2wc4 s GLY 215 CO 0.64 -1.31 -0.23 0.54 0.00 0.00 0.00 173.10 172.73 2wc4 s LYS 216 N -3.61 1.84 0.01 2.90 1.02 0.86 -5.03 119.74 117.72 2wc4 s LYS 216 Ca 0.33 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.47 2wc4 s LYS 216 Cb -0.09 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 2wc4 s LYS 216 CO 0.26 0.49 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.59 2wc4 s ILE 217 N -0.60 0.68 0.00 2.17 2.07 -1.26 -1.45 121.20 122.81 2wc4 s ILE 217 Ca 0.09 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 2wc4 s ILE 217 Cb -0.09 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.89 2wc4 s ILE 217 CO -0.00 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2wc4 n GLY 218 N 2.41 4.57 3.37 1.50 0.00 -0.38 -0.79 105.19 115.87 2wc4 n GLY 218 Ca -0.16 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.14 0.03 -0.10 -0.61 2.07 -1.24 -1.34 121.20 118.88 2wc4 s ILE 219 Ca 0.00 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 59.03 2wc4 s ILE 219 Cb 0.00 -0.79 -0.00 0.00 0.13 0.00 0.00 42.46 41.80 2wc4 s ILE 219 CO 0.00 -0.14 -0.23 -0.69 -1.91 0.00 0.00 174.94 171.97 2wc4 s VAL 220 N -1.22 2.15 0.00 4.00 1.01 -0.96 -0.73 120.40 124.66 2wc4 s VAL 220 Ca -0.12 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 60.94 2wc4 s VAL 220 Cb -0.03 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2wc4 s VAL 220 CO 0.07 0.56 -0.21 -0.36 0.00 0.00 0.00 175.10 175.15 2wc4 s PHE 221 N 0.33 2.48 0.51 5.22 0.08 -0.05 -0.56 117.98 125.99 2wc4 s PHE 221 Ca -0.18 -0.31 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 2wc4 s PHE 221 Cb -0.18 -1.50 -0.07 0.00 -0.57 0.00 0.00 43.02 40.70 2wc4 s PHE 221 CO 0.09 0.13 1.04 0.54 -0.10 0.00 0.00 175.22 176.92 2wc4 s ASN 222 N -1.00 6.23 -0.09 1.36 4.22 -1.26 -0.22 114.94 124.17 2wc4 s ASN 222 Ca 0.12 1.89 -0.14 0.00 -2.14 0.00 0.00 52.86 52.59 2wc4 s ASN 222 Cb -0.10 -2.55 0.03 0.00 1.28 0.00 0.00 41.25 39.91 2wc4 s ASN 222 CO 0.02 -0.86 0.36 0.20 -2.04 0.00 0.00 177.10 174.78 2wc4 s ASN 223 N -2.19 -0.32 0.22 3.54 0.01 -0.90 -4.18 114.94 111.11 2wc4 s ASN 223 Ca 0.66 0.51 0.11 0.00 -0.71 0.00 0.00 52.86 53.43 2wc4 s ASN 223 Cb -0.16 0.59 -0.05 0.00 0.41 0.00 0.00 41.25 42.05 2wc4 s ASN 223 CO 0.24 -0.25 -0.21 -0.83 -1.51 0.00 0.00 177.10 174.54 2wc4 s GLY 224 N -0.38 1.69 -0.50 0.66 0.00 -1.26 -4.19 107.32 103.35 2wc4 s GLY 224 Ca -0.05 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.80 2wc4 s GLY 224 CO 0.02 -1.77 0.48 -0.47 0.00 0.00 0.00 173.10 171.36 2wc4 s TYR 225 N -2.18 3.18 -0.16 1.90 5.04 -0.84 -4.95 117.35 119.34 2wc4 s TYR 225 Ca 0.23 -0.88 -0.15 0.00 -2.44 0.00 0.00 57.07 53.84 2wc4 s TYR 225 Cb -0.06 -3.38 -0.04 0.00 0.35 0.00 0.00 41.96 38.83 2wc4 s TYR 225 CO 0.11 -0.91 0.34 -0.06 -1.34 0.00 0.00 175.55 173.69 2wc4 s PHE 226 N 1.93 3.45 0.12 4.97 0.08 -1.26 -0.38 117.98 126.89 2wc4 s PHE 226 Ca 0.07 0.64 0.09 0.00 0.12 0.00 0.00 56.93 57.85 2wc4 s PHE 226 Cb -0.24 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2wc4 s PHE 226 CO 0.07 0.18 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.94 2wc4 s GLU 227 N 0.64 1.23 0.12 0.44 2.02 -0.03 -4.96 118.70 118.17 2wc4 s GLU 227 Ca 0.18 -1.25 -0.24 0.00 0.02 0.00 0.00 54.97 53.68 2wc4 s GLU 227 Cb -0.14 -1.55 -0.07 0.00 0.10 0.00 0.00 34.13 32.47 2wc4 s GLU 227 CO 0.06 0.36 0.73 -1.25 0.02 0.00 0.00 175.26 175.17 2wc4 s PRO 228 N -2.05 4.48 0.56 0.39 0.04 -1.26 -0.79 135.00 136.37 2wc4 s PRO 228 Ca 0.10 1.05 0.33 0.00 0.04 0.00 0.00 61.00 62.51 2wc4 s PRO 228 Cb -0.10 -3.28 1.64 0.00 0.04 0.00 0.00 34.50 32.81 2wc4 s PRO 228 CO 0.05 0.53 2.11 0.00 0.04 0.00 0.00 177.00 179.73 2wc4 h ALA 229 N 4.64 1.14 -2.97 8.56 0.00 -1.09 -3.45 119.26 126.09 2wc4 h ALA 229 Ca -0.47 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 2wc4 h ALA 229 Cb 1.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2wc4 h ALA 229 CO 0.66 0.08 0.04 -1.54 0.00 0.00 0.00 179.25 178.49 2wc4 s SER 230 N -5.81 0.54 0.00 0.00 1.04 -1.26 -5.03 113.70 103.19 2wc4 s SER 230 Ca -0.02 -1.36 0.30 0.00 0.48 0.00 0.00 55.95 55.35 2wc4 s SER 230 Cb 0.12 0.77 1.50 0.00 0.10 0.00 0.00 66.02 68.51 2wc4 s SER 230 CO 0.54 -1.51 2.03 1.21 0.98 0.00 0.00 173.24 176.49 2wc4 n GLU 231 N -0.56 0.59 -1.61 4.02 0.00 -1.26 -4.48 120.64 117.33 2wc4 n GLU 231 Ca -0.04 -0.07 -0.48 0.00 0.00 0.00 0.00 57.16 56.58 2wc4 n GLU 231 Cb 0.61 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.51 2wc4 n GLU 231 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wc4 n LYS 232 N -1.15 1.45 -0.27 5.31 5.02 -1.26 -4.80 118.16 122.46 2wc4 n LYS 232 Ca 0.16 0.52 0.08 0.00 -2.02 0.00 0.00 58.31 57.04 2wc4 n LYS 232 Cb 0.23 -2.07 0.22 0.00 -0.02 0.00 0.00 35.03 33.39 2wc4 n LYS 232 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2wc4 h GLU 233 N 3.72 0.30 0.00 1.97 -0.00 -2.00 0.16 114.58 118.74 2wc4 h GLU 233 Ca -0.44 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.36 58.86 2wc4 h GLU 233 Cb 1.32 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 2wc4 h GLU 233 CO 0.72 0.20 -0.20 1.05 -0.00 0.00 0.00 179.01 180.78 2wc4 h GLU 234 N 0.31 0.00 -0.07 1.06 9.09 -1.97 0.16 114.58 123.17 2wc4 h GLU 234 Ca 0.46 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.64 2wc4 h GLU 234 Cb 0.82 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.93 2wc4 h GLU 234 CO -0.52 0.20 -0.88 -0.44 0.05 0.00 0.00 179.01 177.42 2wc4 h ASP 235 N 0.00 0.80 -0.54 3.06 3.32 -1.29 -0.81 116.42 120.96 2wc4 h ASP 235 Ca -0.00 -0.58 -0.09 0.00 0.02 0.00 0.00 57.03 56.38 2wc4 h ASP 235 Cb 0.40 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2wc4 h ASP 235 CO 0.03 1.37 0.00 0.40 -1.72 0.00 0.00 179.24 179.32 2wc4 h ILE 236 N 0.41 1.26 -0.66 0.35 2.04 -0.91 -2.07 117.51 117.93 2wc4 h ILE 236 Ca -0.08 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 2wc4 h ILE 236 Cb 1.51 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 2wc4 h ILE 236 CO 0.17 0.40 0.20 -0.09 0.00 0.00 0.00 178.15 178.83 2wc4 h ARG 237 N 0.91 1.03 -0.93 2.37 2.43 -0.96 -1.91 114.38 117.33 2wc4 h ARG 237 Ca 0.17 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2wc4 h ARG 237 Cb 0.52 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 2wc4 h ARG 237 CO 0.03 0.91 0.61 0.00 -1.51 0.00 0.00 179.97 180.00 2wc4 h ALA 238 N 1.08 1.43 -0.39 2.80 0.00 -0.87 -0.78 119.26 122.53 2wc4 h ALA 238 Ca 0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2wc4 h ALA 238 Cb 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wc4 h ALA 238 CO -0.00 0.47 -0.15 0.28 0.00 0.00 0.00 179.25 179.84 2wc4 h VAL 239 N 1.14 1.28 -0.29 0.00 2.07 -0.92 -0.87 116.25 118.65 2wc4 h VAL 239 Ca 0.38 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.64 2wc4 h VAL 239 Cb 0.06 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2wc4 h VAL 239 CO -0.12 0.42 0.14 0.03 0.02 0.00 0.00 177.57 178.06 2wc4 h ARG 240 N 0.60 0.29 -0.34 1.57 3.08 -0.83 -0.25 114.38 118.50 2wc4 h ARG 240 Ca 0.09 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.18 2wc4 h ARG 240 Cb 0.70 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 2wc4 h ARG 240 CO 0.05 0.19 0.02 0.35 -1.07 0.00 0.00 179.97 179.51 2wc4 h PHE 241 N 0.30 0.03 -0.84 3.04 3.57 -1.05 -0.19 116.94 121.80 2wc4 h PHE 241 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2wc4 h PHE 241 Cb 0.05 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2wc4 h PHE 241 CO -0.10 -0.03 0.51 0.52 -2.23 0.00 0.00 178.31 176.98 2wc4 h MET 242 N 0.12 1.13 -0.67 1.11 2.86 -0.72 -0.27 114.93 118.50 2wc4 h MET 242 Ca 0.16 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2wc4 h MET 242 Cb 0.21 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2wc4 h MET 242 CO -0.25 0.79 0.19 1.25 1.06 0.00 0.00 176.91 179.95 2wc4 h HIS 243 N 1.15 1.10 -0.02 -0.22 -0.00 -0.75 0.17 115.15 116.58 2wc4 h HIS 243 Ca 0.30 -0.12 -0.16 0.00 -0.00 0.00 0.00 60.37 60.39 2wc4 h HIS 243 Cb -0.06 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.02 2wc4 h HIS 243 CO -0.00 0.89 -0.74 1.96 -0.00 0.00 0.00 177.93 180.04 2wc4 h GLN 244 N 0.99 0.11 0.03 5.26 4.20 -0.57 -2.29 115.11 122.84 2wc4 h GLN 244 Ca 0.21 -0.10 -0.23 0.00 0.06 0.00 0.00 58.65 58.60 2wc4 h GLN 244 Cb 0.32 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2wc4 h GLN 244 CO -0.00 0.80 -1.22 0.35 -0.67 0.00 0.00 178.83 178.08 2wc4 h PHE 245 N 0.07 0.13 0.00 2.96 3.57 -0.97 -2.15 116.94 120.56 2wc4 h PHE 245 Ca -0.02 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 2wc4 h PHE 245 Cb 1.30 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2wc4 h PHE 245 CO 0.01 1.48 -1.16 -0.97 -2.23 0.00 0.00 178.31 175.45 2wc4 h ASN 246 N -0.76 0.00 -4.45 0.41 -1.24 -0.75 -3.42 115.58 105.35 2wc4 h ASN 246 Ca -0.31 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.59 2wc4 h ASN 246 Cb 1.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.48 2wc4 h ASN 246 CO -0.11 0.28 -0.03 0.59 -1.29 0.00 0.00 177.43 176.87 2wc4 n ASN 247 N -2.80 0.67 0.07 1.15 3.02 -0.86 -4.56 115.26 111.95 2wc4 n ASN 247 Ca -0.04 -1.36 0.21 0.00 -0.03 0.00 0.00 54.58 53.35 2wc4 n ASN 247 Cb 0.69 -0.08 0.74 0.00 -0.61 0.00 0.00 39.78 40.53 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 0.13 0.00 0.00 3.10 -0.00 -1.78 -2.87 116.97 115.55 2wc4 h TYR 248 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.65 2wc4 h TYR 248 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.01 2wc4 h TYR 248 CO 0.00 0.00 -0.06 -1.35 -0.00 0.00 0.00 178.16 176.75 2wc4 h PRO 249 N 0.00 0.00 -0.56 0.10 0.11 -1.77 0.12 132.00 129.99 2wc4 h PRO 249 Ca 0.21 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.48 2wc4 h PRO 249 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2wc4 h PRO 249 CO -0.00 0.06 0.41 1.25 -0.21 0.00 0.00 178.00 179.51 2wc4 h LEU 250 N 0.00 0.01 0.00 2.35 5.85 -1.14 -1.02 115.31 121.36 2wc4 h LEU 250 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2wc4 h LEU 250 Cb 0.13 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2wc4 h LEU 250 CO 0.01 0.01 -1.88 0.49 -0.34 0.00 0.00 178.44 176.73 2wc4 n PHE 251 N -4.37 0.00 0.11 1.25 3.72 -0.28 -4.45 117.46 113.44 2wc4 n PHE 251 Ca 0.11 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.49 2wc4 n PHE 251 Cb 0.63 -0.62 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.51 4.37 3.38 -0.69 -2.06 115.31 119.80 2wc4 h LEU 252 Ca -0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2wc4 h LEU 252 Cb 1.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2wc4 h LEU 252 CO -0.01 0.72 0.20 -1.13 0.09 0.00 0.00 178.44 178.30 2wc4 h ASN 253 N 0.00 0.71 -0.28 -0.43 -1.24 -1.40 0.25 115.58 113.19 2wc4 h ASN 253 Ca -0.01 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 2wc4 h ASN 253 Cb 1.46 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2wc4 h ASN 253 CO 0.09 0.69 0.13 -0.65 -1.29 0.00 0.00 177.43 176.40 2wc4 h PRO 254 N 0.68 0.41 -0.55 6.67 0.11 -1.31 0.39 132.00 138.40 2wc4 h PRO 254 Ca 0.17 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2wc4 h PRO 254 Cb 0.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 2wc4 h PRO 254 CO -0.01 0.41 0.09 0.82 -0.21 0.00 0.00 178.00 179.10 2wc4 h ILE 255 N 0.31 1.25 0.00 4.15 2.04 -1.10 -1.72 117.51 122.45 2wc4 h ILE 255 Ca 0.10 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 2wc4 h ILE 255 Cb 0.14 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2wc4 h ILE 255 CO -0.01 0.35 -1.71 -1.22 0.00 0.00 0.00 178.15 175.56 2wc4 n TYR 256 N -4.36 0.47 -0.07 1.37 4.01 0.86 -4.42 117.16 115.02 2wc4 n TYR 256 Ca 0.02 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2wc4 n TYR 256 Cb 0.26 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 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 -2.61 3.53 -0.93 -0.72 1.74 0.13 -5.04 116.66 112.76 2wc4 n ARG 257 Ca -0.10 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2wc4 n ARG 257 Cb 0.75 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 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 0.53 0.49 3.62 -0.13 0.00 -0.65 -4.96 105.19 104.10 2wc4 n GLY 258 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.33 -0.40 0.77 1.61 -1.08 -1.23 -4.83 116.67 109.19 2wc4 s ASP 259 Ca 0.00 -0.32 -0.12 0.00 -0.52 0.00 0.00 52.55 51.59 2wc4 s ASP 259 Cb 0.00 0.65 0.06 0.00 -1.46 0.00 0.00 42.92 42.17 2wc4 s ASP 259 CO 0.00 -1.14 1.12 -0.31 0.52 0.00 0.00 175.17 175.36 2wc4 s TYR 260 N -3.84 2.31 0.67 -5.34 2.02 -1.26 -1.76 117.35 110.15 2wc4 s TYR 260 Ca 0.06 1.61 -0.16 0.00 -0.37 0.00 0.00 57.07 58.21 2wc4 s TYR 260 Cb -0.03 -3.19 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 2wc4 s TYR 260 CO -0.03 -2.10 1.20 -2.14 -1.57 0.00 0.00 175.55 170.91 2wc4 s PRO 261 N -4.54 2.54 0.18 -1.71 0.02 -1.26 -4.77 135.00 125.46 2wc4 s PRO 261 Ca 0.65 1.75 -0.17 0.00 0.02 0.00 0.00 61.00 63.26 2wc4 s PRO 261 Cb -0.21 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.56 2wc4 s PRO 261 CO 0.52 -1.52 1.65 1.49 -0.33 0.00 0.00 177.00 178.80 2wc4 h GLU 262 N 0.21 -0.04 0.00 5.54 4.81 -1.98 -0.81 114.58 122.31 2wc4 h GLU 262 Ca -0.49 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 2wc4 h GLU 262 Cb 1.29 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2wc4 h GLU 262 CO 0.52 -0.03 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.24 2wc4 h LEU 263 N -0.04 0.00 -0.19 1.64 3.38 -1.96 -0.51 115.31 117.63 2wc4 h LEU 263 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2wc4 h LEU 263 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2wc4 h LEU 263 CO -0.49 0.46 -0.06 0.58 0.09 0.00 0.00 178.44 179.02 2wc4 h VAL 264 N 0.00 1.30 -0.68 1.22 2.07 -1.69 -2.78 116.25 115.69 2wc4 h VAL 264 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2wc4 h VAL 264 Cb 1.09 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2wc4 h VAL 264 CO 0.06 0.32 0.44 -0.07 0.02 0.00 0.00 177.57 178.34 2wc4 h LEU 265 N 0.08 0.78 -1.13 2.57 3.38 -0.77 0.41 115.31 120.64 2wc4 h LEU 265 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wc4 h LEU 265 Cb 0.52 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2wc4 h LEU 265 CO 0.02 0.57 0.56 -0.08 0.09 0.00 0.00 178.44 179.60 2wc4 h GLU 266 N 0.92 1.14 0.00 1.13 4.81 -1.00 -1.22 114.58 120.37 2wc4 h GLU 266 Ca 0.25 -0.08 -0.24 0.00 -0.13 0.00 0.00 59.36 59.16 2wc4 h GLU 266 Cb -0.10 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 28.99 2wc4 h GLU 266 CO -0.05 0.77 -1.98 0.34 -0.73 0.00 0.00 179.01 177.36 2wc4 n PHE 267 N -4.39 0.37 -0.06 0.92 7.35 -0.95 -4.66 117.46 116.04 2wc4 n PHE 267 Ca 0.10 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2wc4 n PHE 267 Cb 0.03 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 38.91 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 -2.54 2.15 -0.26 3.13 0.00 0.14 -4.65 120.51 118.48 2wc4 n ALA 268 Ca -0.19 -0.71 0.09 0.00 0.00 0.00 0.00 53.44 52.62 2wc4 n ALA 268 Cb 0.95 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.75 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 0.75 -0.12 0.00 2.43 -1.35 -0.15 114.38 115.94 2wc4 h ARG 269 Ca 0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2wc4 h ARG 269 Cb 0.27 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2wc4 h ARG 269 CO 0.00 0.49 0.11 0.93 -1.51 0.00 0.00 179.97 179.99 2wc4 h GLU 270 N 0.77 0.00 0.00 0.20 3.07 -1.84 -2.50 114.58 114.28 2wc4 h GLU 270 Ca 0.41 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.18 2wc4 h GLU 270 Cb 0.52 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 2wc4 h GLU 270 CO -0.17 0.00 -1.27 0.66 -1.40 0.00 0.00 179.01 176.83 2wc4 n TYR 271 N -4.12 0.93 -1.77 4.33 4.01 -0.09 -4.92 117.16 115.54 2wc4 n TYR 271 Ca -0.00 0.29 -0.32 0.00 -0.16 0.00 0.00 57.90 57.71 2wc4 n TYR 271 Cb 0.22 -1.01 0.04 0.00 -0.31 0.00 0.00 39.34 38.27 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 -5.55 3.31 0.44 7.72 1.43 -0.94 -4.42 118.68 120.67 2wc4 s LEU 272 Ca -0.02 1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 54.58 2wc4 s LEU 272 Cb 0.09 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 2wc4 s LEU 272 CO 0.81 -1.38 1.33 -2.65 0.23 0.00 0.00 176.35 174.69 2wc4 n PRO 273 N -2.62 2.02 -0.31 1.29 -0.02 -1.26 -4.88 135.00 129.22 2wc4 n PRO 273 Ca 0.08 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 2wc4 n PRO 273 Cb 0.53 -2.49 0.21 0.00 -0.02 0.00 0.00 33.50 31.73 2wc4 n PRO 273 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2wc4 h GLU 274 N 2.10 1.07 -1.17 -0.52 9.09 -1.94 -2.70 114.58 120.51 2wc4 h GLU 274 Ca -0.49 -0.06 -0.66 0.00 0.05 0.00 0.00 59.36 58.19 2wc4 h GLU 274 Cb 1.29 -0.24 -0.32 0.00 -1.65 0.00 0.00 28.75 27.82 2wc4 h GLU 274 CO 0.60 0.71 0.46 0.09 0.05 0.00 0.00 179.01 180.92 2wc4 n ASN 275 N -4.46 6.92 0.13 3.06 3.02 -1.26 -4.72 115.26 117.95 2wc4 n ASN 275 Ca 0.13 -3.79 -0.01 0.00 -0.03 0.00 0.00 54.58 50.87 2wc4 n ASN 275 Cb 0.13 -0.83 0.20 0.00 -0.61 0.00 0.00 39.78 38.67 2wc4 n ASN 275 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wc4 h TYR 276 N 2.26 0.10 0.00 3.10 -0.00 -1.85 -2.70 116.97 117.89 2wc4 h TYR 276 Ca 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 58.73 59.21 2wc4 h TYR 276 Cb 0.82 -0.02 -0.00 0.00 0.00 0.00 0.00 36.73 37.52 2wc4 h TYR 276 CO 1.23 0.61 -0.07 -0.22 -0.00 0.00 0.00 178.16 179.70 2wc4 h LYS 277 N 0.06 0.00 -0.22 0.10 3.64 -1.86 -1.88 116.57 116.40 2wc4 h LYS 277 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2wc4 h LYS 277 Cb 0.98 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2wc4 h LYS 277 CO 0.08 0.07 0.28 -0.44 -2.27 0.00 0.00 179.45 177.17 2wc4 h ASP 278 N 0.00 0.00 0.36 4.20 3.32 -1.88 -0.78 116.42 121.64 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 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2wc4 h ASP 278 CO 0.01 0.00 -0.49 0.47 -1.72 0.00 0.00 179.24 177.51 2wc4 n ASP 279 N -3.66 0.74 0.14 6.45 8.00 -0.71 -4.30 116.55 123.22 2wc4 n ASP 279 Ca 0.03 -0.54 0.03 0.00 0.71 0.00 0.00 54.79 55.02 2wc4 n ASP 279 Cb 0.41 0.30 0.41 0.00 -0.02 0.00 0.00 41.12 42.22 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 0.41 0.19 -0.11 -1.24 2.86 -1.25 -2.27 114.93 113.51 2wc4 h MET 280 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wc4 h MET 280 Cb 0.51 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2wc4 h MET 280 CO 0.00 0.34 0.07 1.03 1.06 0.00 0.00 176.91 179.41 2wc4 h SER 281 N 0.18 0.13 -0.49 1.22 0.87 -1.76 -2.64 113.55 111.06 2wc4 h SER 281 Ca 0.04 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2wc4 h SER 281 Cb 0.37 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2wc4 h SER 281 CO 0.02 0.11 0.05 -0.33 -0.53 0.00 0.00 176.83 176.15 2wc4 h GLU 282 N 0.15 0.89 -0.00 2.24 5.08 -1.81 -2.72 114.58 118.40 2wc4 h GLU 282 Ca 0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2wc4 h GLU 282 Cb -0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2wc4 h GLU 282 CO -0.01 0.85 0.00 0.82 -1.00 0.00 0.00 179.01 179.67 2wc4 h ILE 283 N 0.83 0.25 -0.16 3.13 2.04 -1.17 -2.65 117.51 119.78 2wc4 h ILE 283 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2wc4 h ILE 283 Cb 0.42 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2wc4 h ILE 283 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 2wc4 n GLN 284 N -3.45 1.62 -1.56 2.37 6.02 -1.02 -4.52 117.38 116.84 2wc4 n GLN 284 Ca -0.03 -0.69 -0.55 0.00 -0.01 0.00 0.00 57.00 55.72 2wc4 n GLN 284 Cb 0.08 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 29.91 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 0.07 0.68 -2.03 -1.09 4.07 -1.00 -4.82 120.64 116.52 2wc4 n GLU 285 Ca 0.06 0.25 -0.41 0.00 -0.06 0.00 0.00 57.16 57.00 2wc4 n GLU 285 Cb 0.28 -1.83 -0.02 0.00 -0.06 0.00 0.00 31.44 29.81 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 0.41 4.28 0.26 5.31 2.20 -1.26 -5.02 119.74 125.92 2wc4 s LYS 286 Ca 0.88 2.29 0.09 0.00 -0.36 0.00 0.00 55.97 58.87 2wc4 s LYS 286 Cb -1.09 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 2wc4 s LYS 286 CO 0.52 -0.38 0.02 0.96 -0.36 0.00 0.00 175.35 176.11 2wc4 s ILE 287 N -0.21 3.57 -0.09 5.43 -4.36 -1.26 -5.00 121.20 119.27 2wc4 s ILE 287 Ca 0.57 -1.85 0.14 0.00 -0.26 0.00 0.00 60.65 59.25 2wc4 s ILE 287 Cb -0.41 -2.91 -0.24 0.00 1.25 0.00 0.00 42.46 40.15 2wc4 s ILE 287 CO 0.45 -0.37 0.47 0.47 0.24 0.00 0.00 174.94 176.20 2wc4 n ASP 288 N -0.93 0.63 -3.65 4.36 8.00 0.03 -4.92 116.55 120.07 2wc4 n ASP 288 Ca -0.07 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 2wc4 n ASP 288 Cb 0.59 0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.56 -0.24 -0.16 1.24 -0.12 -1.19 -3.70 117.98 111.24 2wc4 s PHE 289 Ca -0.07 0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.86 2wc4 s PHE 289 Cb 0.07 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 2wc4 s PHE 289 CO 0.82 -0.63 -0.04 0.08 -0.05 0.00 0.00 175.22 175.40 2wc4 s VAL 290 N -3.07 3.77 -0.19 -2.49 1.01 -0.62 -3.60 120.40 115.22 2wc4 s VAL 290 Ca -0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2wc4 s VAL 290 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2wc4 s VAL 290 CO -0.07 0.49 0.36 -0.83 0.00 0.00 0.00 175.10 175.05 2wc4 s GLY 291 N 0.49 2.11 -0.15 4.51 0.00 0.09 -1.24 107.32 113.13 2wc4 s GLY 291 Ca -0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 2wc4 s GLY 291 CO 0.03 0.70 -0.10 1.08 0.00 0.00 0.00 173.10 174.81 2wc4 s LEU 292 N 1.11 2.84 -0.00 0.66 1.43 0.22 -0.87 118.68 124.06 2wc4 s LEU 292 Ca 0.18 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2wc4 s LEU 292 Cb -0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2wc4 s LEU 292 CO 0.07 0.13 0.30 0.20 0.23 0.00 0.00 176.35 177.28 2wc4 s ASN 293 N 0.54 6.56 -0.11 2.29 0.01 0.69 -1.07 114.94 123.84 2wc4 s ASN 293 Ca -0.07 0.66 -0.07 0.00 -0.71 0.00 0.00 52.86 52.67 2wc4 s ASN 293 Cb -0.15 -2.13 0.04 0.00 0.41 0.00 0.00 41.25 39.42 2wc4 s ASN 293 CO 0.03 0.28 0.28 -0.47 -1.51 0.00 0.00 177.10 175.71 2wc4 s TYR 294 N -1.23 -0.36 0.00 2.20 5.04 -0.80 -2.11 117.35 120.08 2wc4 s TYR 294 Ca 0.26 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 2wc4 s TYR 294 Cb -0.14 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.27 2wc4 s TYR 294 CO 0.14 -0.22 0.00 0.66 -1.34 0.00 0.00 175.55 174.79 2wc4 n TYR 295 N 3.84 0.00 -3.82 4.97 4.02 -1.26 -4.26 117.16 120.65 2wc4 n TYR 295 Ca -0.21 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.58 2wc4 n TYR 295 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.82 0.03 0.15 7.72 1.04 -1.26 -4.72 113.70 114.84 2wc4 s SER 296 Ca 0.00 -0.51 0.09 0.00 0.48 0.00 0.00 55.95 56.01 2wc4 s SER 296 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2wc4 s SER 296 CO 0.00 -0.70 -0.13 -0.83 0.98 0.00 0.00 173.24 172.55 2wc4 s GLY 297 N -2.64 1.73 -0.03 7.32 0.00 -1.19 -1.99 107.32 110.52 2wc4 s GLY 297 Ca 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.32 2wc4 s GLY 297 CO -0.09 -1.43 0.01 0.30 0.00 0.00 0.00 173.10 171.89 2wc4 s HIS 298 N -1.48 0.21 -0.05 1.90 3.76 0.49 -4.44 115.29 115.68 2wc4 s HIS 298 Ca 0.22 0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.92 2wc4 s HIS 298 Cb -0.10 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 2wc4 s HIS 298 CO 0.13 -0.11 0.79 -1.17 -0.85 0.00 0.00 174.74 173.53 2wc4 s LEU 299 N 1.03 4.32 0.12 0.89 2.96 -1.26 -0.85 118.68 125.90 2wc4 s LEU 299 Ca -0.10 1.33 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 2wc4 s LEU 299 Cb -0.13 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 2wc4 s LEU 299 CO -0.02 -0.18 -0.12 0.68 -1.32 0.00 0.00 176.35 175.39 2wc4 s VAL 300 N 0.97 1.15 0.04 1.68 -7.23 0.03 -0.35 120.40 116.70 2wc4 s VAL 300 Ca 0.42 -1.75 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2wc4 s VAL 300 Cb -0.19 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2wc4 s VAL 300 CO 0.21 -0.53 -0.04 -1.59 -0.31 0.00 0.00 175.10 172.83 2wc4 s LYS 301 N -2.92 0.51 0.28 4.82 -2.85 -0.39 -0.51 119.74 118.68 2wc4 s LYS 301 Ca 0.09 -0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 53.81 2wc4 s LYS 301 Cb -0.03 0.08 -0.11 0.00 -2.06 0.00 0.00 37.83 35.71 2wc4 s LYS 301 CO 0.01 -0.06 1.61 0.12 0.10 0.00 0.00 175.35 177.13 2wc4 s PHE 302 N -2.67 2.78 -0.15 1.78 5.36 -1.26 -1.31 117.98 122.51 2wc4 s PHE 302 Ca -0.03 0.71 -0.04 0.00 -0.96 0.00 0.00 56.93 56.62 2wc4 s PHE 302 Cb -0.01 -4.08 0.05 0.00 -0.34 0.00 0.00 43.02 38.65 2wc4 s PHE 302 CO -0.05 -3.69 0.06 0.34 -1.46 0.00 0.00 175.22 170.42 2wc4 s ASP 303 N 0.61 2.32 0.35 6.13 3.68 -0.66 -4.77 116.67 124.33 2wc4 s ASP 303 Ca 0.65 -0.56 0.04 0.00 2.13 0.00 0.00 52.55 54.82 2wc4 s ASP 303 Cb -0.48 -0.36 0.63 0.00 -1.45 0.00 0.00 42.92 41.26 2wc4 s ASP 303 CO 0.45 -0.31 1.91 1.55 0.13 0.00 0.00 175.17 178.90 2wc4 h PRO 304 N 8.36 0.57 -0.89 4.34 0.13 -1.95 -2.67 132.00 139.89 2wc4 h PRO 304 Ca -0.15 -0.10 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 2wc4 h PRO 304 Cb 1.13 -0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.07 2wc4 h PRO 304 CO 0.29 0.53 0.21 -0.25 -0.23 0.00 0.00 178.00 178.55 2wc4 n ASP 305 N -4.32 3.58 -4.51 1.44 8.00 -1.26 -4.85 116.55 114.63 2wc4 n ASP 305 Ca 0.02 -2.76 -0.28 0.00 0.71 0.00 0.00 54.79 52.48 2wc4 n ASP 305 Cb 0.20 -0.66 -0.11 0.00 -0.02 0.00 0.00 41.12 40.53 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 -1.96 2.75 0.26 2.24 0.00 -1.01 -5.02 121.76 119.03 2wc4 s ALA 306 Ca 0.32 -1.41 -0.31 0.00 0.00 0.00 0.00 51.96 50.56 2wc4 s ALA 306 Cb 0.26 -0.65 -0.11 0.00 0.00 0.00 0.00 23.12 22.62 2wc4 s ALA 306 CO 0.08 0.54 1.60 -1.25 0.00 0.00 0.00 175.76 176.73 2wc4 s PRO 307 N -2.40 4.15 0.00 0.00 0.05 -1.26 -0.40 135.00 135.13 2wc4 s PRO 307 Ca 0.20 2.53 0.00 0.00 0.05 0.00 0.00 61.00 63.79 2wc4 s PRO 307 Cb -0.10 -3.06 0.00 0.00 0.05 0.00 0.00 34.50 31.40 2wc4 s PRO 307 CO 0.12 -0.63 0.00 0.00 0.05 0.00 0.00 177.00 176.53 2wc4 n ALA 308 N 2.75 0.00 -2.63 8.56 0.00 -1.26 -3.81 120.51 124.12 2wc4 n ALA 308 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 2wc4 n ALA 308 Cb 0.37 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.40 2wc4 n ALA 308 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wc4 n LYS 309 N -2.00 -2.82 -4.09 0.00 -0.00 0.46 -4.98 118.16 104.73 2wc4 n LYS 309 Ca 0.00 0.75 -0.16 0.00 -0.00 0.00 0.00 58.31 58.90 2wc4 n LYS 309 Cb 0.00 -5.20 -0.15 0.00 -0.00 0.00 0.00 35.03 29.68 2wc4 n LYS 309 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wc4 s VAL 310 N -2.95 0.34 0.11 0.58 1.01 -1.25 -1.65 120.40 116.59 2wc4 s VAL 310 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2wc4 s VAL 310 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2wc4 s VAL 310 CO 0.17 0.12 -0.13 -0.44 0.00 0.00 0.00 175.10 174.83 2wc4 s SER 311 N 0.24 1.81 0.21 3.32 0.01 -0.43 -4.74 113.70 114.13 2wc4 s SER 311 Ca -0.02 -0.79 -0.11 0.00 1.31 0.00 0.00 55.95 56.33 2wc4 s SER 311 Cb -0.06 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.06 2wc4 s SER 311 CO -0.00 -0.17 0.55 -0.36 0.41 0.00 0.00 173.24 173.66 2wc4 s PHE 312 N -2.15 3.46 -0.17 2.43 0.40 -1.26 -1.26 117.98 119.43 2wc4 s PHE 312 Ca 0.07 0.92 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 2wc4 s PHE 312 Cb -0.05 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.21 2wc4 s PHE 312 CO 0.02 0.30 -0.20 0.08 0.70 0.00 0.00 175.22 176.13 2wc4 s VAL 313 N -1.74 2.13 0.25 -0.44 1.01 0.52 -4.93 120.40 117.21 2wc4 s VAL 313 Ca 0.45 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2wc4 s VAL 313 Cb -0.12 -1.88 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 2wc4 s VAL 313 CO 0.21 0.54 1.58 -0.70 0.00 0.00 0.00 175.10 176.73 2wc4 s GLU 314 N 1.12 4.16 0.21 2.72 2.12 -1.26 -4.26 118.70 123.52 2wc4 s GLU 314 Ca 0.01 2.50 0.08 0.00 0.36 0.00 0.00 54.97 57.92 2wc4 s GLU 314 Cb -0.14 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2wc4 s GLU 314 CO -0.09 -0.61 0.01 1.03 -0.54 0.00 0.00 175.26 175.06 2wc4 s ARG 315 N 0.07 2.38 -1.26 4.30 0.52 -1.26 -5.03 118.95 118.67 2wc4 s ARG 315 Ca 0.66 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.54 2wc4 s ARG 315 Cb -0.46 -2.29 0.17 0.00 0.52 0.00 0.00 34.95 32.89 2wc4 s ARG 315 CO 0.42 0.42 1.80 -3.47 0.02 0.00 0.00 175.30 174.48 2wc4 n ASP 316 N -0.46 5.16 -4.57 0.23 2.03 -1.26 -4.93 116.55 112.75 2wc4 n ASP 316 Ca -0.08 -3.11 -0.25 0.00 0.52 0.00 0.00 54.79 51.87 2wc4 n ASP 316 Cb 0.57 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.39 2wc4 n ASP 316 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wc4 s LEU 317 N -0.03 2.85 0.40 -2.67 1.43 -1.26 -5.11 118.68 114.29 2wc4 s LEU 317 Ca 0.40 -1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2wc4 s LEU 317 Cb 0.08 -1.24 -0.10 0.00 0.03 0.00 0.00 46.19 44.95 2wc4 s LEU 317 CO 0.01 -0.14 1.28 -2.65 0.23 0.00 0.00 176.35 175.07 2wc4 n PRO 318 N -0.83 2.00 -4.26 1.29 -0.02 -1.26 -4.83 135.00 127.08 2wc4 n PRO 318 Ca -0.05 0.71 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 2wc4 n PRO 318 Cb 0.62 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.12 1.07 0.61 -0.52 1.02 -1.26 -0.52 119.74 118.02 2wc4 s LYS 319 Ca 0.59 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 2wc4 s LYS 319 Cb -0.52 -0.85 0.13 0.00 -0.52 0.00 0.00 37.83 36.07 2wc4 s LYS 319 CO 0.59 0.15 0.83 0.25 -0.92 0.00 0.00 175.35 176.25 2wc4 n THR 320 N 0.21 0.00 0.29 2.17 -2.24 -0.47 -4.89 114.28 109.35 2wc4 n THR 320 Ca -0.13 -0.91 0.04 0.00 -2.27 0.00 0.00 64.05 60.79 2wc4 n THR 320 Cb 0.58 -1.35 0.20 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.27 1.38 0.84 6.98 0.00 0.28 -0.52 120.51 126.20 2wc4 n ALA 321 Ca -0.14 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.41 2wc4 n ALA 321 Cb 0.42 -1.15 0.33 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.55 0.11 -0.71 0.00 2.81 -1.26 -4.91 117.12 111.61 2wc4 n MET 322 Ca 0.02 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2wc4 n MET 322 Cb 0.10 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 1.44 0.66 3.73 3.03 0.00 0.32 -5.04 105.19 109.33 2wc4 n GLY 323 Ca 0.05 0.00 -0.41 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 -2.06 3.77 0.25 1.61 0.51 -1.26 -4.77 118.94 117.00 2wc4 s TRP 324 Ca 0.00 1.65 -0.30 0.00 -2.12 0.00 0.00 56.10 55.34 2wc4 s TRP 324 Cb 0.00 -2.96 -0.10 0.00 -0.81 0.00 0.00 33.47 29.61 2wc4 s TRP 324 CO 0.00 0.23 1.34 -1.21 -0.51 0.00 0.00 176.95 176.79 2wc4 s GLU 325 N 0.02 4.36 -0.44 4.98 2.02 -1.26 -1.36 118.70 127.01 2wc4 s GLU 325 Ca 0.43 2.16 -0.22 0.00 0.02 0.00 0.00 54.97 57.37 2wc4 s GLU 325 Cb -0.22 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 30.90 2wc4 s GLU 325 CO 0.27 -0.26 0.70 0.42 0.02 0.00 0.00 175.26 176.41 2wc4 s ILE 326 N -0.33 4.75 -0.46 -1.63 1.01 0.32 -3.16 121.20 121.71 2wc4 s ILE 326 Ca 0.55 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.47 2wc4 s ILE 326 Cb -0.39 -4.26 0.15 0.00 0.01 0.00 0.00 42.46 37.98 2wc4 s ILE 326 CO 0.44 -0.65 0.31 -0.69 0.00 0.00 0.00 174.94 174.35 2wc4 s VAL 327 N 3.02 1.02 0.30 2.92 1.01 -1.26 -4.73 120.40 122.69 2wc4 s VAL 327 Ca 0.26 -2.71 0.26 0.00 0.00 0.00 0.00 61.98 59.79 2wc4 s VAL 327 Cb -0.13 -1.70 0.26 0.00 0.00 0.00 0.00 36.38 34.81 2wc4 s VAL 327 CO 0.21 -1.05 1.96 -0.65 0.00 0.00 0.00 175.10 175.57 2wc4 h PRO 328 N 6.18 0.00 0.00 2.72 0.11 -1.93 -1.38 132.00 137.70 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 0.44 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 2wc4 n GLU 329 N -3.54 0.12 0.23 1.05 0.00 -1.26 -1.77 120.64 115.47 2wc4 n GLU 329 Ca -0.01 0.44 0.11 0.00 0.00 0.00 0.00 57.16 57.70 2wc4 n GLU 329 Cb 0.32 -1.77 0.50 0.00 0.00 0.00 0.00 31.44 30.49 2wc4 n GLU 329 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2wc4 h GLY 330 N 1.58 0.00 1.61 -1.84 0.00 -1.64 -1.14 103.07 101.63 2wc4 h GLY 330 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2wc4 h GLY 330 CO 0.00 0.00 -0.65 1.19 0.00 0.00 0.00 176.54 177.08 2wc4 h ILE 331 N 0.00 1.37 -0.36 2.60 2.10 -1.53 -1.18 117.51 120.52 2wc4 h ILE 331 Ca -0.00 -2.01 -0.00 0.00 1.08 0.00 0.00 64.86 63.92 2wc4 h ILE 331 Cb 0.71 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 38.42 2wc4 h ILE 331 CO 0.02 0.61 0.20 0.22 -1.08 0.00 0.00 178.15 178.12 2wc4 h TYR 332 N 0.29 0.48 -0.22 2.19 5.03 -1.54 -2.57 116.97 120.62 2wc4 h TYR 332 Ca -0.01 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 2wc4 h TYR 332 Cb 1.20 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 2wc4 h TYR 332 CO 0.04 0.37 0.09 2.35 -1.32 0.00 0.00 178.16 179.69 2wc4 h TRP 333 N 0.45 0.34 -0.20 -3.82 7.01 -1.00 -1.09 115.95 117.65 2wc4 h TRP 333 Ca 0.13 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.00 2wc4 h TRP 333 Cb 0.04 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 2wc4 h TRP 333 CO -0.03 0.37 -0.31 -0.84 -2.79 0.00 0.00 178.44 174.83 2wc4 h ILE 334 N 0.21 1.28 -0.33 2.65 -0.00 -1.22 0.32 117.51 120.42 2wc4 h ILE 334 Ca 0.08 -1.35 -0.05 0.00 -0.00 0.00 0.00 64.86 63.53 2wc4 h ILE 334 Cb 0.17 1.47 -0.01 0.00 -0.00 0.00 0.00 36.82 38.45 2wc4 h ILE 334 CO -0.01 0.42 0.01 -0.07 -0.00 0.00 0.00 178.15 178.50 2wc4 h LEU 335 N 0.34 0.57 -0.66 0.16 3.38 -1.15 -1.44 115.31 116.51 2wc4 h LEU 335 Ca 0.04 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2wc4 h LEU 335 Cb 0.72 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2wc4 h LEU 335 CO 0.06 0.73 0.05 0.11 0.09 0.00 0.00 178.44 179.48 2wc4 h LYS 336 N 0.39 1.09 -0.13 1.13 1.79 -0.87 -2.60 116.57 117.37 2wc4 h LYS 336 Ca 0.09 -0.32 -0.16 0.00 -2.18 0.00 0.00 60.65 58.08 2wc4 h LYS 336 Cb 0.44 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2wc4 h LYS 336 CO 0.02 1.03 -0.60 -0.22 -1.08 0.00 0.00 179.45 178.60 2wc4 h LYS 337 N 1.01 0.43 -0.13 3.15 1.63 -0.87 0.11 116.57 121.89 2wc4 h LYS 337 Ca 0.19 -0.29 -0.14 0.00 -0.85 0.00 0.00 60.65 59.56 2wc4 h LYS 337 Cb 0.51 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2wc4 h LYS 337 CO 0.02 0.90 -0.52 -0.24 -3.45 0.00 0.00 179.45 176.16 2wc4 h VAL 338 N 0.32 1.34 -0.30 2.00 3.04 -1.18 0.67 116.25 122.14 2wc4 h VAL 338 Ca -0.00 -1.77 -0.03 0.00 -1.01 0.00 0.00 66.70 63.88 2wc4 h VAL 338 Cb 1.13 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 2wc4 h VAL 338 CO 0.10 0.54 0.06 0.50 -1.01 0.00 0.00 177.57 177.76 2wc4 h LYS 339 N 0.28 0.48 -0.39 4.17 3.64 -1.05 -1.73 116.57 121.98 2wc4 h LYS 339 Ca 0.01 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2wc4 h LYS 339 Cb 1.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2wc4 h LYS 339 CO 0.09 0.57 -0.00 0.93 -2.27 0.00 0.00 179.45 178.76 2wc4 h GLU 340 N 0.32 0.62 0.13 1.90 5.08 -0.64 -1.55 114.58 120.43 2wc4 h GLU 340 Ca 0.09 -0.15 -0.36 0.00 -1.00 0.00 0.00 59.36 57.95 2wc4 h GLU 340 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2wc4 h GLU 340 CO 0.00 0.65 -1.93 0.93 -1.00 0.00 0.00 179.01 177.66 2wc4 h GLU 341 N 0.59 0.27 0.00 2.33 5.08 -0.84 -3.43 114.58 118.59 2wc4 h GLU 341 Ca 0.12 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2wc4 h GLU 341 Cb 0.38 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2wc4 h GLU 341 CO 0.01 1.19 -0.04 0.66 -1.00 0.00 0.00 179.01 179.83 2wc4 n TYR 342 N -3.48 0.00 -4.01 4.33 4.01 -0.69 -5.06 117.16 112.26 2wc4 n TYR 342 Ca -0.29 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.13 2wc4 n TYR 342 Cb 1.05 0.00 -0.02 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 -0.52 -1.50 -4.77 7.72 5.15 -0.58 -4.90 115.26 115.86 2wc4 n ASN 343 Ca 0.00 -1.12 -0.38 0.00 -0.60 0.00 0.00 54.58 52.48 2wc4 n ASN 343 Cb 0.00 -2.54 -0.00 0.00 -0.53 0.00 0.00 39.78 36.71 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 -6.80 3.78 0.43 1.20 0.04 -1.26 -4.91 135.00 127.48 2wc4 s PRO 344 Ca 0.16 1.98 0.14 0.00 0.04 0.00 0.00 61.00 63.33 2wc4 s PRO 344 Cb -0.07 -2.55 0.93 0.00 0.04 0.00 0.00 34.50 32.85 2wc4 s PRO 344 CO 0.92 -0.59 1.95 -1.00 0.04 0.00 0.00 177.00 178.32 2wc4 h PRO 345 N 2.27 0.00 -3.55 0.56 0.13 -1.91 -3.43 132.00 126.06 2wc4 h PRO 345 Ca -0.50 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2wc4 h PRO 345 Cb 1.25 -0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 2wc4 h PRO 345 CO 0.61 0.23 -0.53 -1.21 -0.23 0.00 0.00 178.00 176.86 2wc4 s GLU 346 N -4.53 0.39 0.04 0.86 2.02 -1.24 -4.82 118.70 111.42 2wc4 s GLU 346 Ca -0.04 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 54.69 2wc4 s GLU 346 Cb 0.15 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 2wc4 s GLU 346 CO 0.70 -0.09 -0.12 0.08 0.02 0.00 0.00 175.26 175.85 2wc4 s VAL 347 N -1.10 0.96 0.03 2.63 1.01 -0.41 -1.58 120.40 121.94 2wc4 s VAL 347 Ca -0.12 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.96 2wc4 s VAL 347 Cb -0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2wc4 s VAL 347 CO 0.01 -0.06 -0.18 -0.31 0.00 0.00 0.00 175.10 174.56 2wc4 s TYR 348 N -0.90 1.55 -0.55 5.22 1.51 -0.38 -0.24 117.35 123.56 2wc4 s TYR 348 Ca -0.00 -0.34 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 2wc4 s TYR 348 Cb -0.08 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.87 2wc4 s TYR 348 CO 0.01 0.05 1.10 0.42 -1.11 0.00 0.00 175.55 176.02 2wc4 s ILE 349 N -0.72 4.17 -0.78 2.71 -1.09 -0.68 -0.61 121.20 124.19 2wc4 s ILE 349 Ca 0.05 0.77 0.24 0.00 -2.23 0.00 0.00 60.65 59.49 2wc4 s ILE 349 Cb -0.08 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.16 2wc4 s ILE 349 CO 0.01 -1.21 1.31 0.35 -1.23 0.00 0.00 174.94 174.17 2wc4 n THR 350 N 6.56 0.18 -3.68 2.92 -2.24 -0.24 -0.40 114.28 117.38 2wc4 n THR 350 Ca 0.07 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 2wc4 n THR 350 Cb 0.49 0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.10 0.57 -0.19 -0.78 2.02 -1.24 -4.63 118.70 111.34 2wc4 s GLU 351 Ca 0.08 0.86 -0.17 0.00 0.02 0.00 0.00 54.97 55.76 2wc4 s GLU 351 Cb 0.15 0.17 0.05 0.00 0.10 0.00 0.00 34.13 34.60 2wc4 s GLU 351 CO 0.73 -0.12 0.51 1.21 0.02 0.00 0.00 175.26 177.61 2wc4 s ASN 352 N 0.92 -0.55 0.00 -0.19 3.84 -1.01 -1.90 114.94 116.06 2wc4 s ASN 352 Ca -0.05 1.04 0.00 0.00 0.21 0.00 0.00 52.86 54.06 2wc4 s ASN 352 Cb -0.05 1.04 0.00 0.00 -0.55 0.00 0.00 41.25 41.68 2wc4 s ASN 352 CO -0.08 -0.18 0.00 0.61 -2.79 0.00 0.00 177.10 174.66 2wc4 n GLY 353 N 2.96 -1.53 3.47 1.21 0.00 -1.26 -0.69 105.19 109.35 2wc4 n GLY 353 Ca -0.14 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.41 -1.50 -0.10 4.61 0.00 -1.26 -4.90 121.76 117.21 2wc4 s ALA 354 Ca 0.00 1.36 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 2wc4 s ALA 354 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2wc4 s ALA 354 CO 0.00 -0.31 0.47 0.00 0.00 0.00 0.00 175.76 175.92 2wc4 s ALA 355 N -0.50 3.50 0.11 0.00 0.00 -1.26 -4.39 121.76 119.23 2wc4 s ALA 355 Ca -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 2wc4 s ALA 355 Cb -0.03 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2wc4 s ALA 355 CO 0.05 0.07 0.08 -0.06 0.00 0.00 0.00 175.76 175.89 2wc4 s PHE 356 N 0.37 0.64 -1.32 0.00 0.08 -1.17 -0.56 117.98 116.03 2wc4 s PHE 356 Ca 0.26 -1.07 -0.14 0.00 0.12 0.00 0.00 56.93 56.10 2wc4 s PHE 356 Cb -0.15 -0.36 0.11 0.00 -0.57 0.00 0.00 43.02 42.05 2wc4 s PHE 356 CO 0.11 -0.51 1.84 -3.47 -0.10 0.00 0.00 175.22 173.08 2wc4 n ASP 357 N -0.05 4.75 -4.77 1.36 2.03 -1.26 -4.38 116.55 114.23 2wc4 n ASP 357 Ca -0.09 -2.96 -0.40 0.00 0.52 0.00 0.00 54.79 51.86 2wc4 n ASP 357 Cb 0.63 -1.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.39 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 2.78 6.70 0.14 1.67 1.01 -1.26 -5.04 116.67 122.66 2wc4 s ASP 358 Ca 0.46 2.67 0.04 0.00 0.71 0.00 0.00 52.55 56.42 2wc4 s ASP 358 Cb 0.07 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2wc4 s ASP 358 CO -0.00 -0.58 -0.08 0.68 0.21 0.00 0.00 175.17 175.39 2wc4 s VAL 359 N -1.17 1.01 -0.29 -1.27 -7.23 -1.26 -5.12 120.40 105.07 2wc4 s VAL 359 Ca 0.50 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 2wc4 s VAL 359 Cb -0.39 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2wc4 s VAL 359 CO 0.52 -0.76 0.43 -0.69 -0.31 0.00 0.00 175.10 174.29 2wc4 s VAL 360 N -3.43 5.12 0.91 1.32 1.01 -1.26 -4.32 120.40 119.75 2wc4 s VAL 360 Ca 0.16 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 2wc4 s VAL 360 Cb 0.04 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.76 2wc4 s VAL 360 CO -0.01 0.05 1.14 -0.44 0.00 0.00 0.00 175.10 175.85 2wc4 s SER 361 N 1.65 3.56 0.51 3.32 0.01 -0.17 -4.89 113.70 117.68 2wc4 s SER 361 Ca 0.17 0.93 0.20 0.00 1.31 0.00 0.00 55.95 58.56 2wc4 s SER 361 Cb -0.16 -1.49 1.27 0.00 0.21 0.00 0.00 66.02 65.85 2wc4 s SER 361 CO 0.10 -2.51 2.04 -0.33 0.41 0.00 0.00 173.24 172.95 2wc4 h GLU 362 N -1.47 0.09 0.00 12.44 4.39 -1.98 -0.14 114.58 127.91 2wc4 h GLU 362 Ca -0.50 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2wc4 h GLU 362 Cb 1.33 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2wc4 h GLU 362 CO 0.62 0.06 0.00 -0.40 -1.16 0.00 0.00 179.01 178.13 2wc4 n ASP 363 N -4.45 0.00 0.00 1.42 5.68 -1.26 -4.84 116.55 113.10 2wc4 n ASP 363 Ca 0.06 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 2wc4 n ASP 363 Cb 0.39 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.23 0.75 3.85 6.12 0.00 -0.07 -5.05 105.19 111.02 2wc4 n GLY 364 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.33 2.68 -0.37 1.61 0.52 -1.26 -4.84 118.95 116.97 2wc4 s ARG 365 Ca 0.00 -1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 53.86 2wc4 s ARG 365 Cb 0.00 -2.45 0.09 0.00 0.52 0.00 0.00 34.95 33.12 2wc4 s ARG 365 CO 0.00 0.06 0.12 0.08 0.02 0.00 0.00 175.30 175.58 2wc4 s VAL 366 N -2.33 3.01 -0.88 3.52 1.01 -1.26 -1.00 120.40 122.47 2wc4 s VAL 366 Ca 0.42 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 2wc4 s VAL 366 Cb -0.05 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.43 2wc4 s VAL 366 CO 0.27 -0.53 1.10 -1.00 0.00 0.00 0.00 175.10 174.93 2wc4 s HIS 367 N 1.12 3.03 -0.84 5.22 0.09 -1.26 -1.15 115.29 121.50 2wc4 s HIS 367 Ca 0.05 -1.24 0.01 0.00 -0.00 0.00 0.00 55.06 53.89 2wc4 s HIS 367 Cb -0.21 -4.29 0.31 0.00 -0.00 0.00 0.00 32.58 28.39 2wc4 s HIS 367 CO -0.04 -1.52 1.33 -0.40 -0.00 0.00 0.00 174.74 174.11 2wc4 n ASP 368 N 6.77 5.76 0.12 1.40 5.75 -1.26 -4.81 116.55 130.28 2wc4 n ASP 368 Ca 0.19 -3.60 0.05 0.00 -0.01 0.00 0.00 54.79 51.43 2wc4 n ASP 368 Cb 0.48 -0.93 0.50 0.00 -1.03 0.00 0.00 41.12 40.14 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 4.09 0.28 -0.90 0.11 4.15 -1.99 -0.44 115.11 120.41 2wc4 h GLN 369 Ca 0.30 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.80 2wc4 h GLN 369 Cb 0.49 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.04 2wc4 h GLN 369 CO 1.05 0.23 0.53 -0.91 -1.93 0.00 0.00 178.83 177.80 2wc4 h ASN 370 N 0.28 0.77 -0.00 -0.69 2.35 -2.00 0.12 115.58 116.41 2wc4 h ASN 370 Ca 0.07 0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 2wc4 h ASN 370 Cb 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2wc4 h ASN 370 CO -0.01 0.42 -0.48 -0.09 -1.65 0.00 0.00 177.43 175.63 2wc4 h ARG 371 N 0.87 0.56 -0.32 0.81 2.43 -1.48 -1.20 114.38 116.04 2wc4 h ARG 371 Ca 0.44 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2wc4 h ARG 371 Cb 0.42 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2wc4 h ARG 371 CO -0.26 0.91 0.18 0.82 -1.51 0.00 0.00 179.97 180.11 2wc4 h ILE 372 N 0.44 1.14 -0.30 1.20 2.04 -0.85 -1.04 117.51 120.15 2wc4 h ILE 372 Ca 0.02 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 2wc4 h ILE 372 Cb 1.00 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2wc4 h ILE 372 CO 0.09 0.14 -0.18 0.44 0.00 0.00 0.00 178.15 178.64 2wc4 h ASP 373 N 0.40 0.53 0.07 1.72 3.32 -0.63 0.87 116.42 122.70 2wc4 h ASP 373 Ca 0.11 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2wc4 h ASP 373 Cb 0.07 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2wc4 h ASP 373 CO -0.02 0.73 -0.03 0.22 -1.72 0.00 0.00 179.24 178.42 2wc4 h TYR 374 N 0.49 -0.08 -0.55 4.55 5.03 -0.98 -2.59 116.97 122.84 2wc4 h TYR 374 Ca 0.08 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2wc4 h TYR 374 Cb 0.59 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.88 2wc4 h TYR 374 CO 0.02 0.14 0.24 -0.07 -1.32 0.00 0.00 178.16 177.17 2wc4 h LEU 375 N -0.30 0.74 -0.40 2.82 3.38 -0.70 -2.38 115.31 118.47 2wc4 h LEU 375 Ca -0.01 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2wc4 h LEU 375 Cb 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2wc4 h LEU 375 CO 0.01 0.69 0.18 0.50 0.09 0.00 0.00 178.44 179.91 2wc4 h LYS 376 N 0.74 0.35 -0.20 1.13 3.64 -0.84 0.14 116.57 121.54 2wc4 h LYS 376 Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2wc4 h LYS 376 Cb 0.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2wc4 h LYS 376 CO -0.02 0.23 0.09 0.00 -2.27 0.00 0.00 179.45 177.48 2wc4 h ALA 377 N 1.24 0.26 -0.59 5.00 0.00 -1.29 0.01 119.26 123.89 2wc4 h ALA 377 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wc4 h ALA 377 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wc4 h ALA 377 CO -0.15 -0.16 0.16 0.45 0.00 0.00 0.00 179.25 179.55 2wc4 h HIS 378 N 0.18 0.97 -0.87 0.00 3.86 -1.10 -2.35 115.15 115.84 2wc4 h HIS 378 Ca 0.07 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2wc4 h HIS 378 Cb 0.15 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 2wc4 h HIS 378 CO -0.02 0.82 0.45 0.82 0.86 0.00 0.00 177.93 180.86 2wc4 h ILE 379 N 0.84 1.26 -0.93 2.45 2.04 -0.58 -0.11 117.51 122.49 2wc4 h ILE 379 Ca 0.19 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2wc4 h ILE 379 Cb 0.32 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2wc4 h ILE 379 CO -0.00 0.30 0.61 1.23 0.00 0.00 0.00 178.15 180.29 2wc4 h GLY 380 N 1.24 1.35 1.43 5.37 0.00 -0.85 -0.04 103.07 111.57 2wc4 h GLY 380 Ca 0.30 -0.47 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 2wc4 h GLY 380 CO -0.04 0.41 -0.77 1.46 0.00 0.00 0.00 176.54 177.60 2wc4 h GLN 381 N 1.19 0.55 -0.91 4.80 1.08 -0.96 -2.33 115.11 118.53 2wc4 h GLN 381 Ca 0.37 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2wc4 h GLN 381 Cb -0.03 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 2wc4 h GLN 381 CO -0.11 1.09 0.60 0.00 -0.95 0.00 0.00 178.83 179.46 2wc4 h ALA 382 N 0.77 1.39 -0.52 3.87 0.00 -0.58 -1.85 119.26 122.34 2wc4 h ALA 382 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wc4 h ALA 382 Cb 1.37 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2wc4 h ALA 382 CO 0.14 0.54 0.33 2.35 0.00 0.00 0.00 179.25 182.61 2wc4 h TRP 383 N 1.18 0.62 -0.79 0.00 7.01 -0.70 -1.80 115.95 121.48 2wc4 h TRP 383 Ca 0.35 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.40 2wc4 h TRP 383 Cb -0.06 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 26.75 2wc4 h TRP 383 CO -0.00 0.37 0.50 -0.22 -2.79 0.00 0.00 178.44 176.31 2wc4 h LYS 384 N 0.67 0.95 -0.70 2.65 3.64 -1.10 0.13 116.57 122.80 2wc4 h LYS 384 Ca 0.20 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2wc4 h LYS 384 Cb -0.03 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 2wc4 h LYS 384 CO -0.07 0.63 0.41 0.00 -2.27 0.00 0.00 179.45 178.15 2wc4 h ALA 385 N 1.33 1.41 -0.57 5.00 0.00 -0.57 -1.87 119.26 123.99 2wc4 h ALA 385 Ca 0.32 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2wc4 h ALA 385 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wc4 h ALA 385 CO -0.12 0.50 -0.07 0.82 0.00 0.00 0.00 179.25 180.39 2wc4 h ILE 386 N 0.96 1.27 0.00 0.00 2.04 -0.26 -2.03 117.51 119.50 2wc4 h ILE 386 Ca 0.25 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2wc4 h ILE 386 Cb -0.03 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2wc4 h ILE 386 CO -0.05 0.44 0.00 1.56 0.00 0.00 0.00 178.15 180.10 2wc4 h GLN 387 N 0.94 0.00 -0.64 2.37 1.08 -0.31 -1.03 115.11 117.52 2wc4 h GLN 387 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2wc4 h GLN 387 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2wc4 h GLN 387 CO 0.04 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.31 2wc4 n GLU 388 N -3.08 4.18 -0.03 1.46 1.02 -0.78 -4.95 120.64 118.46 2wc4 n GLU 388 Ca -0.01 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 2wc4 n GLU 388 Cb 0.20 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 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 0.99 0.47 3.72 0.62 0.00 -0.39 -5.05 105.19 105.56 2wc4 n GLY 389 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.07 3.31 -1.52 1.61 1.01 -0.82 -4.88 120.40 117.04 2wc4 s VAL 390 Ca 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 2wc4 s VAL 390 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2wc4 s VAL 390 CO 0.00 0.10 2.72 -0.81 0.00 0.00 0.00 175.10 177.10 2wc4 n PRO 391 N 3.57 3.87 -2.38 2.72 -0.04 -1.26 -4.45 135.00 137.02 2wc4 n PRO 391 Ca 0.10 -2.61 -0.43 0.00 -0.04 0.00 0.00 63.50 60.52 2wc4 n PRO 391 Cb 0.43 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 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 -0.27 3.83 0.03 1.53 2.96 -1.26 -1.28 118.68 124.22 2wc4 s LEU 392 Ca 0.63 1.18 0.23 0.00 -0.22 0.00 0.00 54.13 55.94 2wc4 s LEU 392 Cb 0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 2wc4 s LEU 392 CO -0.07 -1.16 0.96 0.29 -1.32 0.00 0.00 176.35 175.06 2wc4 n LYS 393 N 7.47 0.27 -3.60 1.98 4.76 0.67 -4.95 118.16 124.76 2wc4 n LYS 393 Ca 0.15 -0.02 0.01 0.00 -2.87 0.00 0.00 58.31 55.58 2wc4 n LYS 393 Cb 0.47 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 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 -3.62 -0.41 -0.15 0.72 0.00 -1.26 -1.37 107.32 101.23 2wc4 s GLY 394 Ca 0.03 1.05 -0.06 0.00 0.00 0.00 0.00 44.72 45.74 2wc4 s GLY 394 CO 0.82 0.25 0.34 -0.47 0.00 0.00 0.00 173.10 174.04 2wc4 s TYR 395 N -2.24 -0.56 -0.17 1.90 6.14 -0.23 -1.69 117.35 120.51 2wc4 s TYR 395 Ca 0.14 1.18 -0.01 0.00 0.64 0.00 0.00 57.07 59.02 2wc4 s TYR 395 Cb 0.04 0.14 -0.00 0.00 0.42 0.00 0.00 41.96 42.56 2wc4 s TYR 395 CO -0.05 -0.38 -0.13 -0.06 0.64 0.00 0.00 175.55 175.57 2wc4 s PHE 396 N 2.14 2.82 -0.00 4.97 0.40 0.46 -0.34 117.98 128.44 2wc4 s PHE 396 Ca -0.03 -1.06 -0.30 0.00 -0.60 0.00 0.00 56.93 54.94 2wc4 s PHE 396 Cb -0.11 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2wc4 s PHE 396 CO -0.11 -0.51 1.04 0.08 0.70 0.00 0.00 175.22 176.42 2wc4 s VAL 397 N 0.98 4.66 -0.27 -0.44 1.01 -0.59 -2.39 120.40 123.36 2wc4 s VAL 397 Ca -0.02 1.92 -0.18 0.00 0.00 0.00 0.00 61.98 63.70 2wc4 s VAL 397 Cb -0.15 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2wc4 s VAL 397 CO -0.02 0.13 0.52 0.86 0.00 0.00 0.00 175.10 176.58 2wc4 s TRP 398 N 1.19 3.25 0.24 5.22 -0.11 0.13 -1.21 118.94 127.65 2wc4 s TRP 398 Ca 0.53 0.58 0.02 0.00 1.22 0.00 0.00 56.10 58.45 2wc4 s TRP 398 Cb -0.23 -2.76 -0.05 0.00 -1.50 0.00 0.00 33.47 28.94 2wc4 s TRP 398 CO 0.27 -0.32 0.06 0.45 -4.62 0.00 0.00 176.95 172.79 2wc4 s SER 399 N 1.58 1.34 0.16 5.86 0.15 -0.42 -4.10 113.70 118.27 2wc4 s SER 399 Ca 0.21 -1.32 -0.16 0.00 0.70 0.00 0.00 55.95 55.38 2wc4 s SER 399 Cb -0.16 0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.34 2wc4 s SER 399 CO 0.10 -0.66 1.75 0.25 1.20 0.00 0.00 173.24 175.87 2wc4 h LEU 400 N 2.45 0.12 -8.67 3.45 5.85 -1.68 0.13 115.31 116.96 2wc4 h LEU 400 Ca -0.38 0.04 -0.67 0.00 0.84 0.00 0.00 57.88 57.71 2wc4 h LEU 400 Cb 1.23 0.03 -0.27 0.00 0.37 0.00 0.00 40.66 42.03 2wc4 h LEU 400 CO 0.62 0.11 -0.88 -0.76 -0.34 0.00 0.00 178.44 177.19 2wc4 s LEU 401 N -10.33 2.14 0.39 2.25 1.43 -1.26 -1.23 118.68 112.07 2wc4 s LEU 401 Ca -0.13 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.16 2wc4 s LEU 401 Cb 0.12 -1.24 -0.11 0.00 0.03 0.00 0.00 46.19 45.00 2wc4 s LEU 401 CO 0.71 0.25 1.17 0.47 0.23 0.00 0.00 176.35 179.18 2wc4 n ASP 402 N 1.93 2.07 -2.30 2.29 8.00 -0.87 -4.06 116.55 123.61 2wc4 n ASP 402 Ca -0.17 1.11 -0.07 0.00 0.71 0.00 0.00 54.79 56.37 2wc4 n ASP 402 Cb 0.52 -1.43 0.01 0.00 -0.02 0.00 0.00 41.12 40.20 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 0.51 -1.50 -4.58 -2.24 6.94 -1.26 -4.73 115.26 108.40 2wc4 n ASN 403 Ca 0.07 -2.18 -0.41 0.00 -0.02 0.00 0.00 54.58 52.05 2wc4 n ASN 403 Cb 0.38 2.54 -0.03 0.00 -2.36 0.00 0.00 39.78 40.32 2wc4 n ASN 403 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wc4 s PHE 404 N -4.02 1.61 -1.31 -2.53 5.36 -0.81 -4.57 117.98 111.71 2wc4 s PHE 404 Ca 0.13 0.79 -0.06 0.00 -0.96 0.00 0.00 56.93 56.83 2wc4 s PHE 404 Cb -0.03 -4.03 0.13 0.00 -0.34 0.00 0.00 43.02 38.76 2wc4 s PHE 404 CO 0.10 -2.82 2.30 -1.91 -1.46 0.00 0.00 175.22 171.44 2wc4 n GLU 405 N 8.75 4.52 0.00 10.12 4.07 -0.07 -4.64 120.64 143.40 2wc4 n GLU 405 Ca 0.25 -3.52 0.00 0.00 -0.06 0.00 0.00 57.16 53.83 2wc4 n GLU 405 Cb 0.49 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 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 1.90 0.00 0.30 4.31 7.02 -1.26 -0.83 117.44 128.88 2wc4 n TRP 406 Ca 0.59 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 57.16 2wc4 n TRP 406 Cb 0.26 0.00 0.39 0.00 -2.42 0.00 0.00 31.31 29.54 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 9.45 1.41 1.34 6.99 0.00 -1.26 -0.88 120.51 137.55 2wc4 n ALA 407 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2wc4 n ALA 407 Cb 0.00 -1.27 0.53 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.94 0.71 0.00 0.00 -0.58 -0.01 -1.17 120.64 117.66 2wc4 n GLU 408 Ca 0.01 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2wc4 n GLU 408 Cb 0.13 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.31 1.85 0.17 0.62 0.00 -0.06 -3.06 105.19 106.02 2wc4 n GLY 409 Ca 0.13 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 7.42 0.00 0.33 1.61 4.01 -1.26 -0.89 117.16 128.37 2wc4 n TYR 410 Ca 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.96 2wc4 n TYR 410 Cb 0.00 -0.10 1.13 0.00 -0.31 0.00 0.00 39.34 40.06 2wc4 n TYR 410 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wc4 h SER 411 N 0.83 0.00 -3.30 7.72 4.64 -1.87 -3.41 113.55 118.17 2wc4 h SER 411 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2wc4 h SER 411 Cb 0.31 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.09 2wc4 h SER 411 CO 0.00 0.00 -0.78 -0.54 -0.87 0.00 0.00 176.83 174.64 2wc4 s LYS 412 N -4.06 3.11 -0.30 4.77 -0.14 -1.25 -5.03 119.74 116.83 2wc4 s LYS 412 Ca -0.04 -0.78 -0.09 0.00 -1.36 0.00 0.00 55.97 53.70 2wc4 s LYS 412 Cb 0.12 -2.84 -0.00 0.00 -1.68 0.00 0.00 37.83 33.43 2wc4 s LYS 412 CO 0.43 -0.25 0.13 1.03 -0.76 0.00 0.00 175.35 175.94 2wc4 s ARG 413 N 1.37 3.29 0.00 1.68 0.52 -1.26 -4.59 118.95 119.96 2wc4 s ARG 413 Ca 0.04 -0.75 0.12 0.00 -0.52 0.00 0.00 55.73 54.63 2wc4 s ARG 413 Cb -0.14 -3.51 0.15 0.00 0.52 0.00 0.00 34.95 31.98 2wc4 s ARG 413 CO -0.07 -0.41 0.98 1.19 0.02 0.00 0.00 175.30 177.01 2wc4 n PHE 414 N 4.95 0.12 -1.68 -0.53 3.01 -1.26 -3.07 117.46 118.99 2wc4 n PHE 414 Ca -0.14 -0.11 -0.31 0.00 1.01 0.00 0.00 57.45 57.90 2wc4 n PHE 414 Cb 0.49 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.99 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 -1.04 1.73 0.00 1.37 0.00 -1.26 -1.30 107.32 106.82 2wc4 s GLY 415 Ca 0.17 0.10 0.27 0.00 0.00 0.00 0.00 44.72 45.26 2wc4 s GLY 415 CO 0.16 0.40 1.65 0.29 0.00 0.00 0.00 173.10 175.61 2wc4 n ILE 416 N -2.92 0.00 -4.40 0.90 -5.35 0.03 -4.76 119.36 102.86 2wc4 n ILE 416 Ca 0.07 -0.17 -0.27 0.00 -0.27 0.00 0.00 62.75 62.12 2wc4 n ILE 416 Cb 0.54 0.40 -0.17 0.00 -1.74 0.00 0.00 39.64 38.66 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 -2.32 1.30 0.18 7.28 1.01 -0.37 -1.06 120.40 126.42 2wc4 s VAL 417 Ca 0.30 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 2wc4 s VAL 417 Cb 0.20 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 2wc4 s VAL 417 CO 0.45 0.40 0.99 -0.47 0.00 0.00 0.00 175.10 176.48 2wc4 s TYR 418 N 1.01 3.80 -0.21 5.22 6.14 0.73 -2.05 117.35 132.00 2wc4 s TYR 418 Ca -0.07 1.79 -0.03 0.00 0.64 0.00 0.00 57.07 59.40 2wc4 s TYR 418 Cb -0.15 -3.10 -0.00 0.00 0.42 0.00 0.00 41.96 39.13 2wc4 s TYR 418 CO -0.01 0.06 -0.07 0.08 0.64 0.00 0.00 175.55 176.25 2wc4 s VAL 419 N -0.49 3.18 -0.41 3.14 1.01 -1.26 -0.98 120.40 124.58 2wc4 s VAL 419 Ca 0.45 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 2wc4 s VAL 419 Cb -0.26 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2wc4 s VAL 419 CO 0.32 0.45 0.94 -0.62 0.00 0.00 0.00 175.10 176.19 2wc4 s ASP 420 N 1.39 6.61 0.30 3.32 -1.08 -0.42 -4.90 116.67 121.88 2wc4 s ASP 420 Ca 0.05 0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.75 2wc4 s ASP 420 Cb -0.14 -2.46 0.91 0.00 -1.46 0.00 0.00 42.92 39.76 2wc4 s ASP 420 CO -0.04 -0.95 1.76 1.88 0.52 0.00 0.00 175.17 178.34 2wc4 h TYR 421 N 8.74 0.00 -0.09 -5.34 0.05 -1.94 0.33 116.97 118.71 2wc4 h TYR 421 Ca -0.23 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.39 2wc4 h TYR 421 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 2wc4 h TYR 421 CO 0.85 0.00 -0.61 0.77 -1.05 0.00 0.00 178.16 178.12 2wc4 h SER 422 N 0.00 0.38 0.00 3.88 0.02 -1.98 -3.36 113.55 112.49 2wc4 h SER 422 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2wc4 h SER 422 Cb 0.58 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2wc4 h SER 422 CO 0.00 0.90 -0.15 0.35 -1.14 0.00 0.00 176.83 176.79 2wc4 n THR 423 N -3.88 0.00 -1.17 -2.27 -2.24 -1.08 -5.00 114.28 98.64 2wc4 n THR 423 Ca -0.03 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 2wc4 n THR 423 Cb 0.63 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.07 -1.57 -1.75 -0.78 1.13 0.12 -4.99 117.38 108.46 2wc4 n GLN 424 Ca 0.00 0.66 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 2wc4 n GLN 424 Cb 0.03 -4.94 -0.01 0.00 0.11 0.00 0.00 30.24 25.43 2wc4 n GLN 424 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2wc4 n LYS 425 N -0.49 2.58 -3.70 -1.09 4.81 -1.21 -4.75 118.16 114.31 2wc4 n LYS 425 Ca -0.06 0.91 -0.35 0.00 -0.87 0.00 0.00 58.31 57.94 2wc4 n LYS 425 Cb 0.48 -2.63 -0.08 0.00 0.02 0.00 0.00 35.03 32.82 2wc4 n LYS 425 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wc4 s ARG 426 N -1.43 4.13 -0.18 1.64 3.00 -1.26 -1.30 118.95 123.54 2wc4 s ARG 426 Ca 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 55.73 56.17 2wc4 s ARG 426 Cb -0.50 -3.40 0.04 0.00 0.00 0.00 0.00 34.95 31.09 2wc4 s ARG 426 CO 0.58 0.34 -0.09 0.42 0.00 0.00 0.00 175.30 176.55 2wc4 s ILE 427 N 0.23 1.43 0.16 1.52 1.01 -0.15 -4.97 121.20 120.42 2wc4 s ILE 427 Ca 0.11 -0.84 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 2wc4 s ILE 427 Cb -0.12 -1.54 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 2wc4 s ILE 427 CO -0.00 0.17 1.44 -0.69 0.00 0.00 0.00 174.94 175.86 2wc4 s VAL 428 N 1.49 3.01 0.75 2.92 1.01 -1.26 -0.19 120.40 128.13 2wc4 s VAL 428 Ca -0.00 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2wc4 s VAL 428 Cb -0.16 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2wc4 s VAL 428 CO -0.08 0.07 1.12 -0.54 0.00 0.00 0.00 175.10 175.67 2wc4 s LYS 429 N 0.80 2.45 0.38 2.72 1.02 -0.23 -4.53 119.74 122.36 2wc4 s LYS 429 Ca 0.65 0.26 0.10 0.00 0.02 0.00 0.00 55.97 57.00 2wc4 s LYS 429 Cb -0.39 -2.01 0.87 0.00 -0.52 0.00 0.00 37.83 35.78 2wc4 s LYS 429 CO 0.33 -1.27 1.93 -0.44 -0.92 0.00 0.00 175.35 174.97 2wc4 h ASP 430 N -0.81 0.56 -0.30 2.83 3.32 -1.43 -0.40 116.42 120.18 2wc4 h ASP 430 Ca -0.45 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2wc4 h ASP 430 Cb 1.29 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2wc4 h ASP 430 CO 0.64 0.32 0.15 0.77 -1.72 0.00 0.00 179.24 179.41 2wc4 h SER 431 N 0.61 0.42 -0.30 6.45 4.64 -1.83 0.31 113.55 123.86 2wc4 h SER 431 Ca 0.36 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 2wc4 h SER 431 Cb 0.55 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2wc4 h SER 431 CO -0.13 0.37 0.04 1.23 -0.87 0.00 0.00 176.83 177.47 2wc4 h GLY 432 N 0.60 0.54 1.24 -0.77 0.00 -1.13 0.24 103.07 103.79 2wc4 h GLY 432 Ca 0.12 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2wc4 h GLY 432 CO -0.02 0.34 0.01 -0.97 0.00 0.00 0.00 176.54 175.91 2wc4 h TYR 433 N 0.32 0.99 -0.32 5.60 0.05 -1.14 -1.76 116.97 120.71 2wc4 h TYR 433 Ca 0.09 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 2wc4 h TYR 433 Cb 0.36 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 2wc4 h TYR 433 CO 0.03 0.89 0.02 2.35 -1.05 0.00 0.00 178.16 180.39 2wc4 h TRP 434 N 0.86 0.60 -0.63 4.88 7.01 -0.81 -2.43 115.95 125.42 2wc4 h TRP 434 Ca 0.16 -0.10 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 2wc4 h TRP 434 Cb 0.49 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 2wc4 h TRP 434 CO 0.03 0.66 0.14 -0.92 -2.79 0.00 0.00 178.44 175.56 2wc4 h TYR 435 N 0.36 1.05 -0.98 2.65 3.20 -0.81 -1.34 116.97 121.09 2wc4 h TYR 435 Ca 0.09 -0.12 0.12 0.00 3.14 0.00 0.00 58.73 61.96 2wc4 h TYR 435 Cb 0.41 -0.30 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 2wc4 h TYR 435 CO 0.03 0.87 0.61 0.66 -1.64 0.00 0.00 178.16 178.69 2wc4 h SER 436 N 0.96 0.89 -0.67 -2.11 4.64 -1.16 0.22 113.55 116.32 2wc4 h SER 436 Ca 0.20 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 2wc4 h SER 436 Cb 0.36 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2wc4 h SER 436 CO 0.00 0.48 0.13 0.78 -0.87 0.00 0.00 176.83 177.35 2wc4 h ASN 437 N 0.97 1.06 -0.64 4.97 2.35 -0.84 -0.99 115.58 122.46 2wc4 h ASN 437 Ca 0.48 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2wc4 h ASN 437 Cb 0.47 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2wc4 h ASN 437 CO -0.26 1.04 0.37 0.58 -1.65 0.00 0.00 177.43 177.50 2wc4 h VAL 438 N 1.04 1.20 -0.20 2.81 2.07 -0.23 -0.79 116.25 122.15 2wc4 h VAL 438 Ca 0.21 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2wc4 h VAL 438 Cb 0.42 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2wc4 h VAL 438 CO 0.01 0.21 0.05 0.58 0.02 0.00 0.00 177.57 178.43 2wc4 h VAL 439 N 0.87 1.21 -0.72 2.57 2.07 -0.79 0.17 116.25 121.63 2wc4 h VAL 439 Ca 0.23 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2wc4 h VAL 439 Cb 0.01 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 2wc4 h VAL 439 CO -0.04 0.21 0.29 0.50 0.02 0.00 0.00 177.57 178.55 2wc4 h LYS 440 N 0.14 0.44 -0.01 1.57 3.64 -0.92 -1.34 116.57 120.10 2wc4 h LYS 440 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wc4 h LYS 440 Cb 0.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2wc4 h LYS 440 CO 0.00 0.29 -0.17 0.09 -2.27 0.00 0.00 179.45 177.40 2wc4 n ASN 441 N -4.98 0.84 -3.84 4.20 3.02 -0.32 -4.92 115.26 109.25 2wc4 n ASN 441 Ca 0.13 -0.83 -0.30 0.00 -0.03 0.00 0.00 54.58 53.55 2wc4 n ASN 441 Cb 0.36 0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.69 -4.68 0.00 6.41 5.15 -0.12 -4.80 115.26 116.52 2wc4 n ASN 442 Ca 0.14 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 2wc4 n ASN 442 Cb 0.32 -3.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 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 -0.07 3.68 8.20 0.00 -0.23 -0.32 105.19 114.84 2wc4 n GLY 443 Ca 0.04 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 3.54 0.00 0.99 1.43 -0.46 -4.46 118.68 119.72 2wc4 s LEU 444 Ca 0.00 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2wc4 s LEU 444 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2wc4 s LEU 444 CO 0.00 0.36 0.00 -0.62 0.23 0.00 0.00 176.35 176.32