#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 1.28 0.10 5.55 1.02 0.09 -4.99 119.74 122.79 2wc4 s LYS 4 Ca 0.00 -1.86 -0.19 0.00 0.02 0.00 0.00 55.97 53.94 2wc4 s LYS 4 Cb 0.00 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 2wc4 s LYS 4 CO 0.00 -1.08 0.58 0.21 -0.92 0.00 0.00 175.35 174.14 2wc4 s LYS 5 N 0.64 4.18 0.49 1.68 2.47 -1.26 -0.92 119.74 127.01 2wc4 s LYS 5 Ca 0.15 0.72 0.01 0.00 -1.56 0.00 0.00 55.97 55.28 2wc4 s LYS 5 Cb -0.22 -3.16 0.01 0.00 -1.46 0.00 0.00 37.83 33.00 2wc4 s LYS 5 CO -0.07 0.60 0.70 -0.06 0.16 0.00 0.00 175.35 176.68 2wc4 s PHE 6 N -1.20 3.05 0.67 4.03 0.40 -0.16 -5.00 117.98 119.78 2wc4 s PHE 6 Ca 0.31 0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.56 2wc4 s PHE 6 Cb -0.19 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 40.85 2wc4 s PHE 6 CO 0.19 -0.56 1.08 -2.30 0.70 0.00 0.00 175.22 174.33 2wc4 n PRO 7 N -2.16 0.77 -1.87 0.24 -0.02 -1.26 -4.92 135.00 125.78 2wc4 n PRO 7 Ca 0.04 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 2wc4 n PRO 7 Cb 0.59 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 2wc4 n PRO 7 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wc4 s GLU 8 N -3.24 4.18 0.00 -0.52 2.56 -1.26 -1.88 118.70 118.54 2wc4 s GLU 8 Ca 0.77 2.46 0.00 0.00 0.00 0.00 0.00 54.97 58.20 2wc4 s GLU 8 Cb -0.37 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 32.67 2wc4 s GLU 8 CO 0.46 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.98 2wc4 n GLY 9 N 2.86 0.91 3.69 -1.50 0.00 -1.26 -5.02 105.19 104.87 2wc4 n GLY 9 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 2wc4 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wc4 n PHE 10 N -2.00 2.26 -3.42 1.61 7.35 -0.79 -4.94 117.46 117.53 2wc4 n PHE 10 Ca 0.00 0.45 -0.41 0.00 -0.76 0.00 0.00 57.45 56.73 2wc4 n PHE 10 Cb 0.00 -2.46 -0.10 0.00 0.35 0.00 0.00 39.48 37.27 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 -0.29 4.61 -0.20 -2.13 1.43 -0.70 -5.00 118.68 116.39 2wc4 s LEU 11 Ca 0.64 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 2wc4 s LEU 11 Cb -0.61 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2wc4 s LEU 11 CO 0.53 -0.38 0.33 0.26 0.23 0.00 0.00 176.35 177.33 2wc4 s TRP 12 N 1.95 3.37 0.38 0.29 0.52 -1.26 -1.10 118.94 123.09 2wc4 s TRP 12 Ca 0.10 0.52 0.04 0.00 0.02 0.00 0.00 56.10 56.78 2wc4 s TRP 12 Cb -0.17 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 2wc4 s TRP 12 CO 0.12 0.04 0.14 0.20 0.02 0.00 0.00 176.95 177.47 2wc4 s GLY 13 N 0.97 2.47 0.14 0.98 0.00 0.92 -1.93 107.32 110.87 2wc4 s GLY 13 Ca 0.16 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.46 2wc4 s GLY 13 CO 0.07 -1.76 -0.07 -1.34 0.00 0.00 0.00 173.10 170.00 2wc4 s VAL 14 N -3.30 0.92 0.01 1.40 -7.23 -0.94 -1.47 120.40 109.79 2wc4 s VAL 14 Ca 0.28 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2wc4 s VAL 14 Cb 0.03 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 2wc4 s VAL 14 CO 0.16 -0.72 -0.03 0.00 -0.31 0.00 0.00 175.10 174.19 2wc4 s ALA 15 N -3.49 0.26 0.30 1.32 0.00 -0.20 -1.34 121.76 118.62 2wc4 s ALA 15 Ca 0.17 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2wc4 s ALA 15 Cb 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2wc4 s ALA 15 CO -0.00 0.02 0.18 0.95 0.00 0.00 0.00 175.76 176.91 2wc4 s THR 16 N -0.41 0.22 0.05 0.00 -4.23 -0.16 -2.58 115.64 108.53 2wc4 s THR 16 Ca -0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 2wc4 s THR 16 Cb -0.03 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2wc4 s THR 16 CO -0.00 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.99 2wc4 s ALA 17 N -3.62 0.67 0.11 3.99 0.00 -1.26 -3.80 121.76 117.85 2wc4 s ALA 17 Ca 0.37 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2wc4 s ALA 17 Cb 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 2wc4 s ALA 17 CO 0.19 0.01 1.61 0.66 0.00 0.00 0.00 175.76 178.22 2wc4 h SER 18 N 4.45 -1.04 0.48 0.00 4.64 -1.89 -2.37 113.55 117.82 2wc4 h SER 18 Ca -0.37 0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 2wc4 h SER 18 Cb 1.20 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 63.67 2wc4 h SER 18 CO 0.41 -0.44 -0.32 0.22 -0.87 0.00 0.00 176.83 175.82 2wc4 h TYR 19 N -0.59 0.00 0.00 4.77 3.20 -1.93 -1.17 116.97 121.25 2wc4 h TYR 19 Ca 0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2wc4 h TYR 19 Cb 0.62 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2wc4 h TYR 19 CO -0.31 0.32 -0.34 1.96 -1.64 0.00 0.00 178.16 178.15 2wc4 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.70 -3.39 115.11 116.04 2wc4 h GLN 20 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2wc4 h GLN 20 Cb 0.65 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2wc4 h GLN 20 CO 0.04 0.34 -1.03 0.44 -0.67 0.00 0.00 178.83 177.95 2wc4 n ILE 21 N -3.46 0.02 -0.04 2.54 -5.35 -1.01 -1.87 119.36 110.18 2wc4 n ILE 21 Ca 0.00 -0.02 -0.15 0.00 -0.27 0.00 0.00 62.75 62.32 2wc4 n ILE 21 Cb 0.50 -0.28 -0.08 0.00 -1.74 0.00 0.00 39.64 38.04 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 0.44 0.00 6.28 5.08 -1.42 -1.83 114.58 123.13 2wc4 h GLU 22 Ca -0.01 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2wc4 h GLU 22 Cb 0.55 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wc4 h GLU 22 CO 0.00 0.92 0.00 0.41 -1.00 0.00 0.00 179.01 179.34 2wc4 n GLY 23 N 0.50 -0.92 3.99 -3.84 0.00 -1.19 -1.56 105.19 102.17 2wc4 n GLY 23 Ca -0.07 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.44 -0.48 0.27 1.61 7.64 -0.39 -4.71 113.62 115.13 2wc4 n SER 24 Ca 0.00 -1.02 0.18 0.00 1.01 0.00 0.00 58.87 59.04 2wc4 n SER 24 Cb 0.00 -2.98 0.93 0.00 -1.01 0.00 0.00 64.21 61.16 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 -1.81 0.00 -0.08 1.43 0.13 -1.81 -2.76 132.00 127.09 2wc4 h PRO 25 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2wc4 h PRO 25 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2wc4 h PRO 25 CO 0.64 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 2wc4 n LEU 26 N -3.52 1.94 -4.75 1.56 4.77 -1.26 -4.67 117.00 111.07 2wc4 n LEU 26 Ca -0.01 -1.34 -0.37 0.00 -0.03 0.00 0.00 56.01 54.26 2wc4 n LEU 26 Cb 0.24 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2wc4 n LEU 26 CO 0.24 0.44 0.90 0.00 -1.33 0.00 0.00 177.39 177.64 2wc4 s ALA 27 N -0.74 2.71 -1.48 -1.18 0.00 -1.04 -3.78 121.76 116.24 2wc4 s ALA 27 Ca 0.11 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 2wc4 s ALA 27 Cb 0.07 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2wc4 s ALA 27 CO 0.09 -1.21 1.03 -0.25 0.00 0.00 0.00 175.76 175.43 2wc4 n ASP 28 N -1.21 -5.32 0.00 0.00 8.00 -1.26 -1.88 116.55 114.88 2wc4 n ASP 28 Ca 0.11 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2wc4 n ASP 28 Cb 0.47 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 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 -1.77 0.50 3.75 0.44 0.00 -1.25 -4.61 105.19 102.25 2wc4 n GLY 29 Ca 0.03 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 2.60 0.54 4.61 0.00 -0.79 -4.75 121.76 121.96 2wc4 s ALA 30 Ca 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 2wc4 s ALA 30 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2wc4 s ALA 30 CO 0.00 -1.23 0.82 0.20 0.00 0.00 0.00 175.76 175.55 2wc4 s GLY 31 N -1.43 1.58 0.67 0.00 0.00 -0.19 -4.73 107.32 103.22 2wc4 s GLY 31 Ca 0.76 -0.79 -0.14 0.00 0.00 0.00 0.00 44.72 44.55 2wc4 s GLY 31 CO 0.37 -0.56 1.10 1.06 0.00 0.00 0.00 173.10 175.07 2wc4 s MET 32 N -4.83 2.77 0.40 2.90 -1.94 -1.26 -4.66 119.30 112.68 2wc4 s MET 32 Ca 0.52 1.33 0.08 0.00 -1.71 0.00 0.00 55.69 55.90 2wc4 s MET 32 Cb -0.10 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 2wc4 s MET 32 CO 0.43 -1.26 0.27 -1.54 -0.01 0.00 0.00 175.02 172.91 2wc4 s SER 33 N -2.76 4.80 0.45 3.03 1.04 -1.26 -0.94 113.70 118.06 2wc4 s SER 33 Ca 0.65 -0.84 0.30 0.00 0.48 0.00 0.00 55.95 56.55 2wc4 s SER 33 Cb -0.19 -0.60 1.25 0.00 0.10 0.00 0.00 66.02 66.58 2wc4 s SER 33 CO 0.44 -0.54 1.90 0.16 0.98 0.00 0.00 173.24 176.17 2wc4 h ILE 34 N 1.26 0.00 0.00 -1.02 3.07 -1.21 -2.29 117.51 117.33 2wc4 h ILE 34 Ca -0.42 -0.40 -0.23 0.00 1.55 0.00 0.00 64.86 65.35 2wc4 h ILE 34 Cb 1.26 1.31 -0.04 0.00 -0.27 0.00 0.00 36.82 39.08 2wc4 h ILE 34 CO 0.63 0.00 -1.19 -0.50 -1.05 0.00 0.00 178.15 176.03 2wc4 h TRP 35 N 0.00 0.00 -0.03 0.16 4.06 -1.83 -0.83 115.95 117.48 2wc4 h TRP 35 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wc4 h TRP 35 Cb 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 2wc4 h TRP 35 CO 0.00 0.97 0.02 1.25 -3.56 0.00 0.00 178.44 177.12 2wc4 h HIS 36 N 0.00 0.04 -0.42 0.49 2.76 -1.85 -0.98 115.15 115.19 2wc4 h HIS 36 Ca -0.09 -0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.93 2wc4 h HIS 36 Cb 1.82 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.76 2wc4 h HIS 36 CO 0.00 0.08 -0.31 1.79 -1.30 0.00 0.00 177.93 178.19 2wc4 h THR 37 N -0.02 1.27 0.06 6.26 1.35 -1.46 -1.46 112.91 118.91 2wc4 h THR 37 Ca 0.01 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 2wc4 h THR 37 Cb 0.06 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2wc4 h THR 37 CO -0.00 0.50 -0.05 0.15 -0.25 0.00 0.00 175.52 175.87 2wc4 h PHE 38 N 0.78 -0.13 0.00 4.73 3.57 -1.18 -2.76 116.94 121.94 2wc4 h PHE 38 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2wc4 h PHE 38 Cb 0.90 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2wc4 h PHE 38 CO 0.06 -0.08 -0.09 0.66 -2.23 0.00 0.00 178.31 176.63 2wc4 h SER 39 N -0.12 0.00 -0.07 0.41 4.64 -1.12 -1.84 113.55 115.45 2wc4 h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wc4 h SER 39 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2wc4 h SER 39 CO -0.01 0.09 0.00 1.41 -0.87 0.00 0.00 176.83 177.45 2wc4 n HIS 40 N -3.17 0.09 -3.56 4.77 8.25 -0.56 -4.72 115.22 116.33 2wc4 n HIS 40 Ca 0.02 -0.05 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 2wc4 n HIS 40 Cb 0.43 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.91 5.30 0.38 1.59 2.01 -0.69 -5.04 115.64 117.28 2wc4 s THR 41 Ca 0.24 0.37 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 2wc4 s THR 41 Cb 0.12 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 68.94 2wc4 s THR 41 CO 0.19 0.31 1.33 -2.65 -0.69 0.00 0.00 174.62 173.10 2wc4 n PRO 42 N 4.37 2.17 0.00 4.92 -0.02 -1.26 -2.76 135.00 142.41 2wc4 n PRO 42 Ca -0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2wc4 n PRO 42 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.71 1.02 0.10 -1.23 0.00 -1.26 -4.92 105.19 99.62 2wc4 n GLY 43 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 2wc4 n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wc4 h ASN 44 N 0.00 0.00 -3.70 1.61 2.35 -1.80 -3.46 115.58 110.58 2wc4 h ASN 44 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2wc4 h ASN 44 Cb 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.05 2wc4 h ASN 44 CO 0.00 0.40 -0.80 -0.69 -1.65 0.00 0.00 177.43 174.69 2wc4 s VAL 45 N -3.05 0.96 0.19 2.81 1.01 -1.26 -4.76 120.40 116.30 2wc4 s VAL 45 Ca -0.02 -0.43 -0.32 0.00 0.00 0.00 0.00 61.98 61.22 2wc4 s VAL 45 Cb 0.09 -0.86 -0.16 0.00 0.00 0.00 0.00 36.38 35.45 2wc4 s VAL 45 CO 0.80 0.30 1.07 0.29 0.00 0.00 0.00 175.10 177.56 2wc4 n LYS 46 N 3.46 1.07 -0.96 2.72 5.02 -0.29 -1.63 118.16 127.55 2wc4 n LYS 46 Ca -0.20 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2wc4 n LYS 46 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2wc4 n LYS 46 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wc4 n ASN 47 N 1.83 -4.85 -1.46 4.39 3.02 -1.26 -1.98 115.26 114.95 2wc4 n ASN 47 Ca 0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.54 2wc4 n ASN 47 Cb 0.26 -2.79 -0.03 0.00 -0.61 0.00 0.00 39.78 36.61 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 -0.04 0.56 3.77 7.41 0.00 -0.65 -4.98 105.19 111.25 2wc4 n GLY 48 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.56 5.68 0.31 1.61 1.01 -0.84 -5.02 116.67 116.87 2wc4 s ASP 49 Ca 0.00 2.33 0.03 0.00 0.71 0.00 0.00 52.55 55.62 2wc4 s ASP 49 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2wc4 s ASP 49 CO 0.00 -1.25 0.14 0.42 0.21 0.00 0.00 175.17 174.68 2wc4 s THR 50 N -1.61 0.46 -0.44 -1.27 -4.23 -1.26 -4.81 115.64 102.49 2wc4 s THR 50 Ca 0.71 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 2wc4 s THR 50 Cb -0.29 -2.53 0.46 0.00 1.34 0.00 0.00 72.50 71.48 2wc4 s THR 50 CO 0.33 0.00 1.37 0.61 -0.54 0.00 0.00 174.62 176.38 2wc4 n GLY 51 N -0.61 2.82 0.31 3.99 0.00 -1.26 -4.50 105.19 105.93 2wc4 n GLY 51 Ca -0.00 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.44 2wc4 n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wc4 h ASP 52 N 1.71 0.62 0.00 1.61 5.19 -1.95 -3.33 116.42 120.28 2wc4 h ASP 52 Ca 0.15 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2wc4 h ASP 52 Cb 1.67 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.03 2wc4 h ASP 52 CO 0.44 0.53 -0.87 0.52 -3.12 0.00 0.00 179.24 176.74 2wc4 n VAL 53 N -4.39 0.00 0.00 -1.35 0.31 -1.26 -1.26 118.33 110.38 2wc4 n VAL 53 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2wc4 n VAL 53 Cb 0.12 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.81 0.00 0.72 3.52 0.00 -1.26 -0.60 120.51 120.07 2wc4 n ALA 54 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2wc4 n ALA 54 Cb 0.44 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.17 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 0.92 -4.40 0.26 0.00 2.03 0.23 -4.82 116.55 110.76 2wc4 n ASP 56 Ca 0.18 -0.37 0.13 0.00 0.52 0.00 0.00 54.79 55.24 2wc4 n ASP 56 Cb 0.46 -3.61 0.70 0.00 -0.72 0.00 0.00 41.12 37.95 2wc4 n ASP 56 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2wc4 h HIS 57 N -1.13 0.00 -0.95 -0.67 -0.00 -0.93 -0.80 115.15 110.68 2wc4 h HIS 57 Ca -0.46 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.06 2wc4 h HIS 57 Cb 1.31 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.64 2wc4 h HIS 57 CO 0.63 0.13 0.60 -0.92 -0.00 0.00 0.00 177.93 178.37 2wc4 h TYR 58 N 0.00 0.93 0.00 5.26 3.20 -1.51 -0.99 116.97 123.86 2wc4 h TYR 58 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2wc4 h TYR 58 Cb 0.41 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 2wc4 h TYR 58 CO 0.00 0.31 -1.85 0.09 -1.64 0.00 0.00 178.16 175.07 2wc4 n ASN 59 N -4.61 0.14 -0.70 -2.11 3.02 -0.61 -4.59 115.26 105.80 2wc4 n ASN 59 Ca 0.19 0.06 0.06 0.00 -0.03 0.00 0.00 54.58 54.86 2wc4 n ASN 59 Cb 0.48 1.71 0.18 0.00 -0.61 0.00 0.00 39.78 41.54 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 -2.35 2.90 -0.35 3.52 1.74 -0.41 -4.71 116.66 117.01 2wc4 n ARG 60 Ca -0.04 -2.23 0.10 0.00 -0.77 0.00 0.00 57.85 54.90 2wc4 n ARG 60 Cb 0.59 -1.40 0.27 0.00 -1.02 0.00 0.00 32.46 30.90 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 1.98 1.07 -0.26 -1.55 5.08 -1.44 -1.75 115.95 119.08 2wc4 h TRP 61 Ca 0.00 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.97 2wc4 h TRP 61 Cb 0.90 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 2wc4 h TRP 61 CO 0.29 0.33 0.05 -0.22 -1.28 0.00 0.00 178.44 177.62 2wc4 h LYS 62 N 0.86 0.43 -0.93 0.12 3.64 -1.87 -0.54 116.57 118.27 2wc4 h LYS 62 Ca 0.53 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 2wc4 h LYS 62 Cb 0.68 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2wc4 h LYS 62 CO -0.33 0.54 0.60 1.49 -2.27 0.00 0.00 179.45 179.49 2wc4 h GLU 63 N 0.25 1.06 -0.22 1.90 4.81 -1.75 0.74 114.58 121.36 2wc4 h GLU 63 Ca 0.08 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2wc4 h GLU 63 Cb 0.31 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2wc4 h GLU 63 CO 0.00 0.70 -0.58 -0.44 -0.73 0.00 0.00 179.01 177.96 2wc4 h ASP 64 N 1.09 0.78 -0.09 1.04 3.32 -0.82 -1.42 116.42 120.33 2wc4 h ASP 64 Ca 0.39 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2wc4 h ASP 64 Cb 0.15 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2wc4 h ASP 64 CO -0.14 1.19 -0.20 0.40 -1.72 0.00 0.00 179.24 178.77 2wc4 h ILE 65 N 0.52 1.25 0.00 0.35 2.04 -0.77 -2.38 117.51 118.52 2wc4 h ILE 65 Ca 0.00 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 2wc4 h ILE 65 Cb 1.16 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2wc4 h ILE 65 CO 0.12 0.37 -0.30 -0.33 0.00 0.00 0.00 178.15 178.01 2wc4 h GLU 66 N 0.44 0.00 -0.25 2.37 5.08 -0.35 -1.31 114.58 120.56 2wc4 h GLU 66 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2wc4 h GLU 66 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2wc4 h GLU 66 CO 0.04 0.30 -0.07 0.82 -1.00 0.00 0.00 179.01 179.10 2wc4 h ILE 67 N 0.00 1.29 -0.43 3.13 2.04 -0.78 0.94 117.51 123.69 2wc4 h ILE 67 Ca -0.00 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 64.83 2wc4 h ILE 67 Cb 0.54 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 2wc4 h ILE 67 CO 0.04 0.34 0.09 0.40 0.00 0.00 0.00 178.15 179.02 2wc4 h ILE 68 N 0.23 0.78 -0.01 -0.67 2.04 -1.04 -0.51 117.51 118.32 2wc4 h ILE 68 Ca 0.06 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2wc4 h ILE 68 Cb 0.54 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2wc4 h ILE 68 CO 0.03 0.04 -0.08 -0.08 0.00 0.00 0.00 178.15 178.06 2wc4 h GLU 69 N 0.22 -0.12 -0.71 2.37 4.81 -1.14 -1.99 114.58 118.02 2wc4 h GLU 69 Ca 0.21 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 2wc4 h GLU 69 Cb 0.26 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2wc4 h GLU 69 CO -0.27 -0.08 0.47 -0.22 -0.73 0.00 0.00 179.01 178.17 2wc4 h LYS 70 N -0.13 0.71 0.00 1.92 3.64 -0.38 -1.37 116.57 120.97 2wc4 h LYS 70 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wc4 h LYS 70 Cb 0.17 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2wc4 h LYS 70 CO -0.09 0.47 0.00 1.28 -2.27 0.00 0.00 179.45 178.84 2wc4 n LEU 71 N -4.48 0.16 -0.03 5.20 4.77 -0.24 -4.90 117.00 117.49 2wc4 n LEU 71 Ca 0.10 0.52 -0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2wc4 n LEU 71 Cb 0.23 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2wc4 n LEU 71 CO 0.34 -0.12 -0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2wc4 n GLY 72 N 1.01 0.46 3.75 -0.72 0.00 -0.51 -4.46 105.19 104.72 2wc4 n GLY 72 Ca 0.06 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 2.85 -0.61 1.61 1.01 -0.84 -4.89 120.40 117.61 2wc4 s VAL 73 Ca 0.00 0.76 0.22 0.00 0.00 0.00 0.00 61.98 62.96 2wc4 s VAL 73 Cb 0.00 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.70 2wc4 s VAL 73 CO 0.00 0.14 0.88 0.29 0.00 0.00 0.00 175.10 176.41 2wc4 n LYS 74 N 1.87 0.27 -3.91 2.72 4.76 -0.81 -4.68 118.16 118.39 2wc4 n LYS 74 Ca 0.04 -0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2wc4 n LYS 74 Cb 0.42 -1.55 -0.12 0.00 -1.84 0.00 0.00 35.03 31.94 2wc4 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wc4 s ALA 75 N -3.20 -0.07 -0.18 7.82 0.00 -0.85 -0.27 121.76 125.01 2wc4 s ALA 75 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2wc4 s ALA 75 Cb 0.15 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.35 2wc4 s ALA 75 CO 0.84 -0.12 -0.09 -0.47 0.00 0.00 0.00 175.76 175.92 2wc4 s TYR 76 N -0.84 2.12 -0.31 0.00 5.04 -0.10 -2.22 117.35 121.03 2wc4 s TYR 76 Ca -0.09 -1.33 -0.18 0.00 -2.44 0.00 0.00 57.07 53.03 2wc4 s TYR 76 Cb -0.06 -1.52 -0.01 0.00 0.35 0.00 0.00 41.96 40.72 2wc4 s TYR 76 CO -0.00 -0.68 0.51 0.50 -1.34 0.00 0.00 175.55 174.54 2wc4 s ARG 77 N 1.50 3.82 0.13 4.97 3.52 -0.45 -1.06 118.95 131.38 2wc4 s ARG 77 Ca 0.01 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 2wc4 s ARG 77 Cb -0.15 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 2wc4 s ARG 77 CO -0.09 -0.51 -0.02 -0.59 -0.81 0.00 0.00 175.30 173.28 2wc4 s PHE 78 N 2.36 1.01 0.29 5.12 -0.71 -0.68 -0.99 117.98 124.38 2wc4 s PHE 78 Ca 0.20 -1.01 0.11 0.00 -1.04 0.00 0.00 56.93 55.18 2wc4 s PHE 78 Cb -0.15 -0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 41.02 2wc4 s PHE 78 CO 0.12 -0.24 -0.10 -1.54 -1.34 0.00 0.00 175.22 172.11 2wc4 s SER 79 N -3.10 3.98 -0.13 1.98 1.04 -1.25 -0.68 113.70 115.55 2wc4 s SER 79 Ca 0.19 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 2wc4 s SER 79 Cb 0.06 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 2wc4 s SER 79 CO -0.00 -0.02 -0.05 -0.63 0.98 0.00 0.00 173.24 173.52 2wc4 s ILE 80 N -2.46 3.85 -0.48 -1.02 1.01 -0.89 -4.04 121.20 117.18 2wc4 s ILE 80 Ca 0.31 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 2wc4 s ILE 80 Cb -0.04 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.79 2wc4 s ILE 80 CO 0.17 0.53 1.41 -0.55 0.00 0.00 0.00 174.94 176.51 2wc4 s SER 81 N -0.06 6.23 0.20 3.58 0.15 -1.26 -4.69 113.70 117.86 2wc4 s SER 81 Ca 0.01 0.58 -0.15 0.00 0.70 0.00 0.00 55.95 57.09 2wc4 s SER 81 Cb -0.13 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.83 2wc4 s SER 81 CO 0.03 -1.57 1.63 -0.25 1.20 0.00 0.00 173.24 174.28 2wc4 h TRP 82 N 10.91 -0.40 0.00 3.44 2.91 -1.84 -0.61 115.95 130.35 2wc4 h TRP 82 Ca -0.27 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.80 2wc4 h TRP 82 Cb 1.10 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 30.02 2wc4 h TRP 82 CO 1.00 -0.28 0.00 -0.35 -1.03 0.00 0.00 178.44 177.78 2wc4 n PRO 83 N -5.41 0.16 0.14 2.65 -0.04 -1.26 -0.78 135.00 130.46 2wc4 n PRO 83 Ca 0.06 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2wc4 n PRO 83 Cb 0.32 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.00 0.01 0.54 3.08 -1.37 -0.46 114.38 116.17 2wc4 h ARG 84 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 2wc4 h ARG 84 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2wc4 h ARG 84 CO 0.00 0.62 -1.11 0.82 -1.07 0.00 0.00 179.97 179.24 2wc4 h ILE 85 N 0.00 1.04 -3.25 2.04 1.08 -1.06 -3.35 117.51 114.01 2wc4 h ILE 85 Ca -0.01 -2.22 -0.62 0.00 -0.39 0.00 0.00 64.86 61.63 2wc4 h ILE 85 Cb 1.12 2.42 -0.40 0.00 -3.07 0.00 0.00 36.82 36.89 2wc4 h ILE 85 CO 0.08 0.39 -0.72 -0.76 -0.69 0.00 0.00 178.15 176.45 2wc4 s LEU 86 N -7.88 3.24 0.49 1.44 1.43 0.04 -0.01 118.68 117.43 2wc4 s LEU 86 Ca -0.27 -2.26 0.17 0.00 -1.03 0.00 0.00 54.13 50.74 2wc4 s LEU 86 Cb 0.05 -1.20 1.21 0.00 0.03 0.00 0.00 46.19 46.27 2wc4 s LEU 86 CO 0.62 -0.33 2.06 -0.65 0.23 0.00 0.00 176.35 178.27 2wc4 h PRO 87 N 7.32 0.15 -0.70 1.29 0.11 -1.72 0.11 132.00 138.56 2wc4 h PRO 87 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wc4 h PRO 87 Cb 0.97 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2wc4 h PRO 87 CO 0.52 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 2wc4 n GLU 88 N -4.47 3.22 0.00 1.05 -0.58 -1.26 -4.23 120.64 114.37 2wc4 n GLU 88 Ca 0.04 -2.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.00 2wc4 n GLU 88 Cb 0.30 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2wc4 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc4 n GLY 89 N 1.42 2.21 3.27 0.62 0.00 0.37 -4.57 105.19 108.51 2wc4 n GLY 89 Ca 0.25 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.25 0.56 0.00 2.61 -4.23 -1.26 -4.80 115.64 108.27 2wc4 s THR 90 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2wc4 s THR 90 Cb 0.00 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2wc4 s THR 90 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2wc4 n GLY 91 N -0.34 1.20 3.71 3.99 0.00 -1.26 -4.87 105.19 107.62 2wc4 n GLY 91 Ca -0.03 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 4.23 -0.06 1.61 3.52 -1.26 -4.98 118.95 122.01 2wc4 s ARG 92 Ca 0.00 2.32 -0.22 0.00 -0.13 0.00 0.00 55.73 57.70 2wc4 s ARG 92 Cb 0.00 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2wc4 s ARG 92 CO 0.00 -0.61 0.62 0.08 -0.81 0.00 0.00 175.30 174.59 2wc4 s VAL 93 N 1.42 5.03 -0.52 7.11 1.01 -1.26 -4.29 120.40 128.90 2wc4 s VAL 93 Ca 0.70 1.29 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 2wc4 s VAL 93 Cb -0.42 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.04 2wc4 s VAL 93 CO 0.31 0.32 0.80 0.21 0.00 0.00 0.00 175.10 176.74 2wc4 s ASN 94 N 0.46 6.31 0.41 3.32 2.47 0.99 -4.93 114.94 123.97 2wc4 s ASN 94 Ca 0.33 -0.49 0.08 0.00 0.42 0.00 0.00 52.86 53.20 2wc4 s ASN 94 Cb -0.17 -2.38 0.87 0.00 -1.45 0.00 0.00 41.25 38.12 2wc4 s ASN 94 CO 0.16 -1.05 2.03 -0.61 -3.72 0.00 0.00 177.10 173.91 2wc4 h GLN 95 N 9.14 0.43 0.00 0.43 5.75 -1.89 -1.38 115.11 127.59 2wc4 h GLN 95 Ca -0.26 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 2wc4 h GLN 95 Cb 1.08 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 2wc4 h GLN 95 CO 1.02 0.34 -0.14 0.87 -2.65 0.00 0.00 178.83 178.27 2wc4 h LYS 96 N 0.43 0.00 -0.28 1.69 1.57 -1.90 0.35 116.57 118.43 2wc4 h LYS 96 Ca 0.11 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 2wc4 h LYS 96 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wc4 h LYS 96 CO -0.02 0.14 -0.30 0.78 -0.57 0.00 0.00 179.45 179.49 2wc4 h GLY 97 N 2.75 0.76 1.16 3.86 0.00 -1.39 -2.35 103.07 107.87 2wc4 h GLY 97 Ca -0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 2wc4 h GLY 97 CO 0.02 0.71 0.21 1.41 0.00 0.00 0.00 176.54 178.89 2wc4 h LEU 98 N 0.44 0.98 -0.30 3.11 3.38 -1.15 -3.07 115.31 118.70 2wc4 h LEU 98 Ca 0.04 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2wc4 h LEU 98 Cb 0.87 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2wc4 h LEU 98 CO 0.07 0.91 0.12 0.44 0.09 0.00 0.00 178.44 180.08 2wc4 h ASP 99 N 1.01 0.16 -0.37 -0.43 3.32 -0.87 -0.71 116.42 118.53 2wc4 h ASP 99 Ca 0.22 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.37 2wc4 h ASP 99 Cb 0.29 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2wc4 h ASP 99 CO -0.01 0.13 -0.10 0.15 -1.72 0.00 0.00 179.24 177.69 2wc4 h PHE 100 N 0.27 -0.22 0.00 4.55 3.57 -1.33 -1.83 116.94 121.95 2wc4 h PHE 100 Ca 0.13 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 2wc4 h PHE 100 Cb 0.08 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2wc4 h PHE 100 CO -0.12 -0.17 -0.65 1.88 -2.23 0.00 0.00 178.31 177.02 2wc4 h TYR 101 N -0.01 0.00 -0.46 0.41 0.05 -1.45 -2.98 116.97 112.53 2wc4 h TYR 101 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2wc4 h TYR 101 Cb 0.28 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2wc4 h TYR 101 CO -0.34 0.65 0.30 -0.91 -1.05 0.00 0.00 178.16 176.81 2wc4 h ASN 102 N 0.00 0.53 -0.78 3.88 2.35 -0.72 0.74 115.58 121.59 2wc4 h ASN 102 Ca -0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2wc4 h ASN 102 Cb 1.49 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.69 2wc4 h ASN 102 CO 0.08 0.39 0.41 0.03 -1.65 0.00 0.00 177.43 176.69 2wc4 h ARG 103 N 0.62 1.10 -0.06 0.81 3.08 -1.32 0.23 114.38 118.84 2wc4 h ARG 103 Ca 0.17 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2wc4 h ARG 103 Cb -0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 2wc4 h ARG 103 CO -0.04 0.83 0.04 0.82 -1.07 0.00 0.00 179.97 180.55 2wc4 h ILE 104 N 1.08 1.04 -0.18 2.04 2.04 -1.29 -1.87 117.51 120.38 2wc4 h ILE 104 Ca 0.27 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 2wc4 h ILE 104 Cb 0.07 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2wc4 h ILE 104 CO -0.04 0.04 0.09 0.40 0.00 0.00 0.00 178.15 178.64 2wc4 h ILE 105 N 0.06 1.11 -0.71 -0.67 2.04 -0.48 -0.99 117.51 117.87 2wc4 h ILE 105 Ca 0.02 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2wc4 h ILE 105 Cb 0.03 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2wc4 h ILE 105 CO -0.00 0.10 0.42 0.44 0.00 0.00 0.00 178.15 179.11 2wc4 h ASP 106 N 0.18 0.85 -0.37 1.72 3.32 -0.97 -1.58 116.42 119.57 2wc4 h ASP 106 Ca 0.06 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 2wc4 h ASP 106 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2wc4 h ASP 106 CO -0.01 0.66 -0.35 0.74 -1.72 0.00 0.00 179.24 178.56 2wc4 h THR 107 N 0.98 1.28 -0.22 0.35 2.02 -0.86 -1.29 112.91 115.16 2wc4 h THR 107 Ca 0.25 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 2wc4 h THR 107 Cb -0.03 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2wc4 h THR 107 CO -0.05 0.51 0.11 -0.07 0.37 0.00 0.00 175.52 176.39 2wc4 h LEU 108 N 0.70 0.28 -0.73 2.58 3.38 -0.78 -2.33 115.31 118.41 2wc4 h LEU 108 Ca 0.06 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2wc4 h LEU 108 Cb 0.95 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2wc4 h LEU 108 CO 0.09 0.30 0.48 -0.07 0.09 0.00 0.00 178.44 179.33 2wc4 h LEU 109 N 0.23 0.83 -1.55 1.67 4.07 -1.23 -0.55 115.31 118.78 2wc4 h LEU 109 Ca 0.08 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.09 2wc4 h LEU 109 Cb 0.09 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 2wc4 h LEU 109 CO -0.01 0.60 0.41 -0.33 -1.08 0.00 0.00 178.44 178.02 2wc4 h GLU 110 N 0.98 0.51 -0.32 1.13 5.08 -0.92 -2.23 114.58 118.81 2wc4 h GLU 110 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2wc4 h GLU 110 Cb -0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2wc4 h GLU 110 CO -0.06 0.34 0.00 1.63 -1.00 0.00 0.00 179.01 179.92 2wc4 n LYS 111 N -4.48 2.23 -1.47 2.33 5.02 -0.78 -4.95 118.16 116.07 2wc4 n LYS 111 Ca 0.09 -1.85 -0.04 0.00 -2.02 0.00 0.00 58.31 54.49 2wc4 n LYS 111 Cb 0.29 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.37 0.49 3.67 0.72 0.00 -0.71 -5.00 105.19 105.73 2wc4 n GLY 112 Ca 0.18 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.15 5.10 -0.22 -0.61 1.01 -0.30 -4.91 121.20 119.13 2wc4 s ILE 113 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.46 2wc4 s ILE 113 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2wc4 s ILE 113 CO 0.00 0.44 0.94 -0.89 0.00 0.00 0.00 174.94 175.42 2wc4 s THR 114 N 0.47 4.77 0.20 2.92 2.01 0.63 -3.97 115.64 122.66 2wc4 s THR 114 Ca 0.06 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 2wc4 s THR 114 Cb -0.12 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 2wc4 s THR 114 CO -0.00 -0.11 1.18 -2.16 -0.69 0.00 0.00 174.62 172.84 2wc4 s PRO 115 N 2.90 4.51 -0.22 4.92 0.04 -1.26 -0.92 135.00 144.97 2wc4 s PRO 115 Ca 0.40 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2wc4 s PRO 115 Cb -0.15 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.19 2wc4 s PRO 115 CO 0.08 -0.04 -0.14 -0.06 0.04 0.00 0.00 177.00 176.88 2wc4 s PHE 116 N -0.26 3.04 -0.27 0.56 0.40 -0.22 -4.26 117.98 116.96 2wc4 s PHE 116 Ca 0.51 -1.94 -0.12 0.00 -0.60 0.00 0.00 56.93 54.79 2wc4 s PHE 116 Cb -0.33 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 2wc4 s PHE 116 CO 0.38 -0.83 0.21 0.08 0.70 0.00 0.00 175.22 175.76 2wc4 s VAL 117 N 1.21 5.30 -0.28 -0.44 1.01 -0.62 -1.69 120.40 124.89 2wc4 s VAL 117 Ca -0.02 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 2wc4 s VAL 117 Cb -0.17 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2wc4 s VAL 117 CO -0.08 0.26 0.56 0.42 0.00 0.00 0.00 175.10 176.26 2wc4 s THR 118 N 1.62 5.02 0.15 3.92 -4.23 0.15 -0.54 115.64 121.71 2wc4 s THR 118 Ca 0.09 0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 61.36 2wc4 s THR 118 Cb -0.15 -3.89 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 2wc4 s THR 118 CO 0.09 0.00 1.52 0.40 -0.54 0.00 0.00 174.62 176.09 2wc4 h ILE 119 N 5.45 1.27 -3.30 2.99 2.04 -0.70 -2.37 117.51 122.89 2wc4 h ILE 119 Ca -0.28 -1.41 -0.54 0.00 1.00 0.00 0.00 64.86 63.63 2wc4 h ILE 119 Cb 1.13 1.24 -0.40 0.00 -0.74 0.00 0.00 36.82 38.05 2wc4 h ILE 119 CO 0.75 0.48 -0.77 -0.47 0.00 0.00 0.00 178.15 178.14 2wc4 s TYR 120 N -4.59 1.35 -0.39 1.37 5.04 -0.69 -4.45 117.35 114.98 2wc4 s TYR 120 Ca -0.12 -1.15 0.08 0.00 -2.44 0.00 0.00 57.07 53.44 2wc4 s TYR 120 Cb 0.11 -1.23 0.44 0.00 0.35 0.00 0.00 41.96 41.63 2wc4 s TYR 120 CO 0.86 -0.69 1.10 1.58 -1.34 0.00 0.00 175.55 177.07 2wc4 n HIS 121 N 4.96 2.88 -0.03 4.97 -0.00 -1.26 -1.25 115.22 125.49 2wc4 n HIS 121 Ca -0.08 -2.89 0.00 0.00 0.46 0.00 0.00 57.72 55.20 2wc4 n HIS 121 Cb 0.46 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 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 -0.45 0.00 -2.20 1.57 8.01 -1.26 -4.82 117.44 118.28 2wc4 n TRP 122 Ca 0.34 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.12 2wc4 n TRP 122 Cb 0.74 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.04 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 6.70 -4.74 -0.99 5.75 -1.26 -4.67 116.55 117.34 2wc4 n ASP 123 Ca 0.00 -3.16 -0.42 0.00 -0.01 0.00 0.00 54.79 51.20 2wc4 n ASP 123 Cb 0.00 -1.40 -0.01 0.00 -1.03 0.00 0.00 41.12 38.68 2wc4 n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2wc4 n LEU 124 N 2.55 4.19 -4.75 -2.12 7.94 -1.26 -4.31 117.00 119.25 2wc4 n LEU 124 Ca 0.51 1.21 -0.42 0.00 -1.11 0.00 0.00 56.01 56.20 2wc4 n LEU 124 Cb 0.30 -1.56 -0.01 0.00 0.53 0.00 0.00 43.42 42.68 2wc4 n LEU 124 CO 0.74 -0.12 1.22 -2.65 -1.11 0.00 0.00 177.39 175.47 2wc4 n PRO 125 N 0.69 2.69 -0.24 1.96 -0.02 -1.26 -0.74 135.00 138.09 2wc4 n PRO 125 Ca 0.04 0.95 0.01 0.00 -2.02 0.00 0.00 63.50 62.48 2wc4 n PRO 125 Cb 0.37 -2.73 0.24 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.97 -0.98 6.00 3.57 -1.28 -0.95 116.94 128.70 2wc4 h PHE 126 Ca -0.48 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.25 2wc4 h PHE 126 Cb 1.23 -0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 2wc4 h PHE 126 CO 0.57 0.59 0.62 0.00 -2.23 0.00 0.00 178.31 177.86 2wc4 h ALA 127 N 1.52 1.91 0.00 2.41 0.00 -1.85 -0.56 119.26 122.69 2wc4 h ALA 127 Ca 0.30 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 2wc4 h ALA 127 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wc4 h ALA 127 CO -0.08 -0.26 -0.81 -0.07 0.00 0.00 0.00 179.25 178.03 2wc4 h LEU 128 N 0.61 0.00 -1.08 0.00 3.38 -1.42 -3.11 115.31 113.69 2wc4 h LEU 128 Ca 0.55 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.43 2wc4 h LEU 128 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2wc4 h LEU 128 CO -0.31 0.81 -0.29 -0.61 0.09 0.00 0.00 178.44 178.13 2wc4 h GLN 129 N 0.00 0.29 -0.22 1.13 5.75 -0.90 -0.08 115.11 121.07 2wc4 h GLN 129 Ca -0.01 -0.11 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2wc4 h GLN 129 Cb 1.52 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 2wc4 h GLN 129 CO 0.11 0.56 0.18 -0.07 -2.65 0.00 0.00 178.83 176.96 2wc4 h LEU 130 N 0.26 0.00 -3.12 -2.39 3.38 -1.26 -0.18 115.31 112.00 2wc4 h LEU 130 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wc4 h LEU 130 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2wc4 h LEU 130 CO 0.05 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.87 2wc4 n LYS 131 N -4.25 4.06 0.00 1.13 5.02 -0.58 -4.91 118.16 118.63 2wc4 n LYS 131 Ca 0.02 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 2wc4 n LYS 131 Cb 0.32 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2wc4 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc4 n GLY 132 N 0.82 1.21 7.00 0.72 0.00 -0.08 -4.69 105.19 110.17 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 -1.47 3.18 0.08 -0.02 0.00 -0.15 -1.46 105.19 105.34 2wc4 n GLY 133 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.49 0.40 1.61 7.02 -1.26 -1.81 117.44 137.89 2wc4 n TRP 134 Ca 0.00 0.18 0.13 0.00 -1.02 0.00 0.00 57.50 56.80 2wc4 n TRP 134 Cb 0.00 -0.80 0.44 0.00 -2.42 0.00 0.00 31.31 28.54 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 2.41 1.00 -2.88 6.99 0.00 -1.57 -3.34 119.26 121.87 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 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 2wc4 h ALA 135 CO 0.00 0.00 -0.32 1.21 0.00 0.00 0.00 179.25 180.14 2wc4 s ASN 136 N -5.05 6.27 0.42 0.00 3.84 -0.75 -4.86 114.94 114.80 2wc4 s ASN 136 Ca 0.06 0.30 0.22 0.00 0.21 0.00 0.00 52.86 53.65 2wc4 s ASN 136 Cb 0.09 -2.18 1.20 0.00 -0.55 0.00 0.00 41.25 39.81 2wc4 s ASN 136 CO 0.54 -0.07 1.75 0.03 -2.79 0.00 0.00 177.10 176.57 2wc4 h ARG 137 N 7.71 0.29 0.00 0.43 3.08 -1.87 -0.94 114.38 123.09 2wc4 h ARG 137 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2wc4 h ARG 137 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2wc4 h ARG 137 CO 0.67 0.19 0.00 0.93 -1.07 0.00 0.00 179.97 180.69 2wc4 h GLU 138 N 0.30 0.00 -0.02 0.04 5.08 -1.93 -2.42 114.58 115.62 2wc4 h GLU 138 Ca 0.62 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.99 2wc4 h GLU 138 Cb 1.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 2wc4 h GLU 138 CO -0.28 0.00 0.03 0.97 -1.00 0.00 0.00 179.01 178.73 2wc4 h ILE 139 N 0.00 0.46 -0.90 3.13 2.10 -1.43 -0.61 117.51 120.26 2wc4 h ILE 139 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2wc4 h ILE 139 Cb 0.04 0.97 -0.04 0.00 -1.09 0.00 0.00 36.82 36.70 2wc4 h ILE 139 CO 0.00 0.00 0.55 0.00 -1.08 0.00 0.00 178.15 177.62 2wc4 h ALA 140 N 1.96 1.27 -0.15 0.18 0.00 -1.67 0.12 119.26 120.98 2wc4 h ALA 140 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2wc4 h ALA 140 Cb 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wc4 h ALA 140 CO -0.00 0.63 -0.06 -0.44 0.00 0.00 0.00 179.25 179.38 2wc4 h ASP 141 N 1.23 0.31 -0.60 0.00 3.32 -1.36 -1.55 116.42 117.78 2wc4 h ASP 141 Ca 0.32 -0.40 0.05 0.00 0.02 0.00 0.00 57.03 57.03 2wc4 h ASP 141 Cb -0.06 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 2wc4 h ASP 141 CO -0.06 0.64 0.33 -0.50 -1.72 0.00 0.00 179.24 177.93 2wc4 h TRP 142 N -0.01 0.60 -0.26 4.55 6.55 -1.14 -1.03 115.95 125.21 2wc4 h TRP 142 Ca 0.04 0.02 -0.18 0.00 0.95 0.00 0.00 58.89 59.71 2wc4 h TRP 142 Cb 0.51 -0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 28.63 2wc4 h TRP 142 CO 0.06 0.30 -0.57 0.35 -1.05 0.00 0.00 178.44 177.53 2wc4 h PHE 143 N 0.62 1.02 -0.74 0.49 3.57 -0.76 -1.65 116.94 119.50 2wc4 h PHE 143 Ca 0.27 -0.37 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2wc4 h PHE 143 Cb 0.15 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2wc4 h PHE 143 CO -0.09 1.18 0.40 0.00 -2.23 0.00 0.00 178.31 177.57 2wc4 h ALA 144 N 0.74 0.94 -0.33 2.41 0.00 -0.97 0.59 119.26 122.65 2wc4 h ALA 144 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2wc4 h ALA 144 Cb 1.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2wc4 h ALA 144 CO 0.12 0.46 -0.43 0.93 0.00 0.00 0.00 179.25 180.33 2wc4 h GLU 145 N 1.02 0.83 -0.11 0.00 4.39 -1.00 -0.12 114.58 119.59 2wc4 h GLU 145 Ca 0.26 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2wc4 h GLU 145 Cb 0.05 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2wc4 h GLU 145 CO -0.04 1.10 0.07 -0.92 -1.16 0.00 0.00 179.01 178.05 2wc4 h TYR 146 N 0.67 0.13 -0.76 4.33 3.20 -1.05 -2.09 116.97 121.40 2wc4 h TYR 146 Ca 0.04 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.01 2wc4 h TYR 146 Cb 1.01 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.17 2wc4 h TYR 146 CO 0.06 0.08 0.41 0.77 -1.64 0.00 0.00 178.16 177.84 2wc4 h SER 147 N 0.14 0.58 -0.29 -2.11 0.02 -0.74 -2.06 113.55 109.09 2wc4 h SER 147 Ca 0.04 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2wc4 h SER 147 Cb -0.01 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2wc4 h SER 147 CO -0.01 0.34 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.87 2wc4 h ARG 148 N 0.71 0.02 -0.69 3.45 2.43 -0.52 0.57 114.38 120.36 2wc4 h ARG 148 Ca 0.36 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.65 2wc4 h ARG 148 Cb 0.33 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 2wc4 h ARG 148 CO -0.24 0.02 0.28 0.28 -1.51 0.00 0.00 179.97 178.79 2wc4 h VAL 149 N 0.02 0.73 -0.43 0.20 2.07 -0.80 0.64 116.25 118.69 2wc4 h VAL 149 Ca 0.14 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 2wc4 h VAL 149 Cb 0.20 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2wc4 h VAL 149 CO -0.28 0.08 -0.11 -0.07 0.02 0.00 0.00 177.57 177.21 2wc4 h LEU 150 N 0.46 0.84 -0.63 2.57 3.38 -0.73 -2.19 115.31 119.01 2wc4 h LEU 150 Ca 0.36 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2wc4 h LEU 150 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2wc4 h LEU 150 CO -0.34 1.01 0.03 -0.26 0.09 0.00 0.00 178.44 178.97 2wc4 h PHE 151 N 0.65 1.18 -0.41 1.13 0.04 -0.41 0.64 116.94 119.76 2wc4 h PHE 151 Ca 0.11 -0.19 -0.11 0.00 2.80 0.00 0.00 57.97 60.58 2wc4 h PHE 151 Cb 0.65 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 2wc4 h PHE 151 CO 0.05 1.02 -0.18 0.93 -0.60 0.00 0.00 178.31 179.53 2wc4 h GLU 152 N 0.99 0.84 0.04 1.51 5.08 -0.86 0.39 114.58 122.58 2wc4 h GLU 152 Ca 0.18 -0.36 -0.23 0.00 -1.00 0.00 0.00 59.36 57.95 2wc4 h GLU 152 Cb 0.53 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2wc4 h GLU 152 CO 0.03 0.99 -1.08 -0.91 -1.00 0.00 0.00 179.01 177.04 2wc4 h ASN 153 N 0.65 0.14 0.00 1.42 2.35 -1.27 -3.40 115.58 115.47 2wc4 h ASN 153 Ca 0.09 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2wc4 h ASN 153 Cb 0.73 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2wc4 h ASN 153 CO 0.06 1.12 0.00 0.49 -1.65 0.00 0.00 177.43 177.44 2wc4 n PHE 154 N -3.41 0.00 0.61 1.19 3.72 0.21 -4.75 117.46 115.03 2wc4 n PHE 154 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 2wc4 n PHE 154 Cb 0.97 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.96 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 0.42 -1.48 0.33 1.37 0.00 0.13 0.48 105.19 106.44 2wc4 n GLY 155 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 1.07 0.00 1.61 2.03 -1.85 -3.36 116.42 115.92 2wc4 h ASP 156 Ca 0.00 -0.21 -0.28 0.00 -0.73 0.00 0.00 57.03 55.81 2wc4 h ASP 156 Cb 0.54 -0.28 -0.05 0.00 -0.83 0.00 0.00 39.33 38.71 2wc4 h ASP 156 CO 0.00 1.01 -2.06 0.54 -1.03 0.00 0.00 179.24 177.70 2wc4 n ARG 157 N -4.24 1.00 -3.57 4.15 1.74 -0.79 -4.94 116.66 110.01 2wc4 n ARG 157 Ca 0.06 0.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.81 2wc4 n ARG 157 Cb 0.24 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.37 5.30 -0.23 1.55 1.01 0.18 -4.95 120.40 120.89 2wc4 s VAL 158 Ca -0.17 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2wc4 s VAL 158 Cb 0.06 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2wc4 s VAL 158 CO 0.53 0.27 0.73 0.29 0.00 0.00 0.00 175.10 176.91 2wc4 n LYS 159 N 4.83 0.55 -3.78 2.72 4.76 -1.26 -4.37 118.16 121.60 2wc4 n LYS 159 Ca -0.13 -0.96 -0.27 0.00 -2.87 0.00 0.00 58.31 54.08 2wc4 n LYS 159 Cb 0.52 -1.04 -0.16 0.00 -1.84 0.00 0.00 35.03 32.50 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 -0.45 2.84 0.05 4.39 0.01 -1.26 -0.37 114.94 120.15 2wc4 s ASN 160 Ca 0.03 -0.75 0.06 0.00 -0.71 0.00 0.00 52.86 51.49 2wc4 s ASN 160 Cb 0.02 -0.69 -0.02 0.00 0.41 0.00 0.00 41.25 40.97 2wc4 s ASN 160 CO 0.03 -0.27 -0.17 0.26 -1.51 0.00 0.00 177.10 175.44 2wc4 s TRP 161 N 1.79 1.49 -0.10 2.20 0.52 -0.47 -1.59 118.94 122.79 2wc4 s TRP 161 Ca -0.01 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.76 2wc4 s TRP 161 Cb -0.16 -0.88 0.02 0.00 -1.15 0.00 0.00 33.47 31.29 2wc4 s TRP 161 CO -0.07 0.07 -0.13 0.42 0.02 0.00 0.00 176.95 177.26 2wc4 s ILE 162 N -0.87 1.33 0.01 2.03 1.01 0.29 -0.74 121.20 124.26 2wc4 s ILE 162 Ca 0.04 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2wc4 s ILE 162 Cb -0.08 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 41.04 2wc4 s ILE 162 CO 0.02 0.41 0.99 0.71 0.00 0.00 0.00 174.94 177.07 2wc4 h THR 163 N 6.00 0.00 -3.95 2.92 1.35 -1.49 0.18 112.91 117.92 2wc4 h THR 163 Ca -0.31 -0.24 -0.50 0.00 -0.55 0.00 0.00 66.41 64.82 2wc4 h THR 163 Cb 1.17 0.00 -0.31 0.00 -1.73 0.00 0.00 68.15 67.28 2wc4 h THR 163 CO 0.47 0.00 -0.81 -0.76 -0.25 0.00 0.00 175.52 174.17 2wc4 s LEU 164 N -8.23 1.89 -0.34 3.87 1.43 -1.26 -1.70 118.68 114.34 2wc4 s LEU 164 Ca -0.11 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 2wc4 s LEU 164 Cb 0.01 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2wc4 s LEU 164 CO 0.32 0.13 0.55 0.21 0.23 0.00 0.00 176.35 177.78 2wc4 s ASN 165 N 0.01 6.37 -0.89 2.29 2.47 -0.38 -1.82 114.94 122.98 2wc4 s ASN 165 Ca -0.01 0.11 -0.06 0.00 0.42 0.00 0.00 52.86 53.32 2wc4 s ASN 165 Cb -0.09 -2.29 -0.01 0.00 -1.45 0.00 0.00 41.25 37.41 2wc4 s ASN 165 CO 0.01 -0.48 0.74 -0.62 -3.72 0.00 0.00 177.10 173.03 2wc4 n GLU 166 N 5.79 -1.48 0.28 0.43 1.02 -0.25 -4.75 120.64 121.68 2wc4 n GLU 166 Ca -0.04 1.02 0.11 0.00 -0.02 0.00 0.00 57.16 58.24 2wc4 n GLU 166 Cb 0.49 -4.74 0.77 0.00 -0.02 0.00 0.00 31.44 27.94 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 -0.46 0.00 -0.39 3.49 0.13 -1.83 -0.61 132.00 132.33 2wc4 h PRO 167 Ca -0.37 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2wc4 h PRO 167 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2wc4 h PRO 167 CO 0.38 0.00 0.21 2.35 -0.23 0.00 0.00 178.00 180.71 2wc4 h TRP 168 N 0.00 0.39 -0.38 1.56 7.01 -1.92 -0.65 115.95 121.95 2wc4 h TRP 168 Ca -0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2wc4 h TRP 168 Cb 0.00 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2wc4 h TRP 168 CO 0.00 0.21 0.08 0.28 -2.79 0.00 0.00 178.44 176.23 2wc4 h VAL 169 N 0.43 1.23 -0.47 2.65 2.07 -1.48 0.75 116.25 121.42 2wc4 h VAL 169 Ca 0.16 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.95 2wc4 h VAL 169 Cb 0.05 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 2wc4 h VAL 169 CO -0.10 0.27 0.13 0.58 0.02 0.00 0.00 177.57 178.48 2wc4 h VAL 170 N 0.48 0.80 0.29 2.57 2.07 -1.14 -0.49 116.25 120.83 2wc4 h VAL 170 Ca 0.12 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2wc4 h VAL 170 Cb 0.32 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2wc4 h VAL 170 CO 0.00 0.05 -0.14 0.00 0.02 0.00 0.00 177.57 177.50 2wc4 h ALA 171 N 1.33 -0.43 -0.00 1.67 0.00 -0.98 -3.01 119.26 117.85 2wc4 h ALA 171 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wc4 h ALA 171 Cb 0.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wc4 h ALA 171 CO -0.26 -0.40 -0.09 0.82 0.00 0.00 0.00 179.25 179.32 2wc4 h ILE 172 N -1.00 1.59 -0.16 0.00 1.08 -0.86 0.10 117.51 118.27 2wc4 h ILE 172 Ca -0.04 -1.85 -0.16 0.00 -0.39 0.00 0.00 64.86 62.43 2wc4 h ILE 172 Cb 0.30 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 2wc4 h ILE 172 CO 0.07 0.49 -0.56 0.58 -0.69 0.00 0.00 178.15 178.03 2wc4 h VAL 173 N -0.67 1.33 0.00 1.67 2.07 -1.22 0.99 116.25 120.43 2wc4 h VAL 173 Ca -0.01 -1.83 -0.19 0.00 0.82 0.00 0.00 66.70 65.48 2wc4 h VAL 173 Cb 0.85 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2wc4 h VAL 173 CO 0.02 0.56 -0.91 1.23 0.02 0.00 0.00 177.57 178.49 2wc4 h GLY 174 N 1.15 0.00 0.00 2.17 0.00 -1.25 -1.60 103.07 103.53 2wc4 h GLY 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wc4 h GLY 174 CO 0.10 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.06 2wc4 n HIS 175 N -3.38 0.00 -0.05 5.60 8.25 0.35 -1.65 115.22 124.34 2wc4 n HIS 175 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2wc4 n HIS 175 Cb 0.88 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.96 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 -0.56 0.69 0.14 2.41 7.94 -0.01 -1.15 117.00 126.45 2wc4 n LEU 176 Ca 0.00 0.11 0.02 0.00 -1.11 0.00 0.00 56.01 55.03 2wc4 n LEU 176 Cb 0.02 -0.27 0.02 0.00 0.53 0.00 0.00 43.42 43.71 2wc4 n LEU 176 CO 0.00 0.20 0.46 1.88 -1.11 0.00 0.00 177.39 178.82 2wc4 h TYR 177 N -0.33 0.00 -0.41 1.96 0.05 -1.04 -3.39 116.97 113.81 2wc4 h TYR 177 Ca -0.24 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.37 2wc4 h TYR 177 Cb 1.21 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.88 2wc4 h TYR 177 CO -0.03 0.51 -0.16 0.41 -1.05 0.00 0.00 178.16 177.84 2wc4 n GLY 178 N 1.23 1.01 0.08 3.88 0.00 -0.81 -4.88 105.19 105.70 2wc4 n GLY 178 Ca 0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 2wc4 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wc4 h VAL 179 N 0.00 1.22 -2.13 1.61 2.07 -1.60 -3.40 116.25 114.02 2wc4 h VAL 179 Ca -0.17 -2.93 -0.52 0.00 0.82 0.00 0.00 66.70 63.90 2wc4 h VAL 179 Cb 0.65 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 2wc4 h VAL 179 CO 0.26 0.70 -0.54 -1.00 0.02 0.00 0.00 177.57 177.00 2wc4 s HIS 180 N -2.71 2.97 0.31 1.57 3.76 -1.04 -4.72 115.29 115.43 2wc4 s HIS 180 Ca -0.01 -0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.44 2wc4 s HIS 180 Cb 0.09 -1.43 -0.13 0.00 1.11 0.00 0.00 32.58 32.22 2wc4 s HIS 180 CO 0.81 0.49 1.24 0.00 -0.85 0.00 0.00 174.74 176.43 2wc4 n ALA 181 N -1.14 0.89 0.65 -1.40 0.00 -1.26 0.10 120.51 118.34 2wc4 n ALA 181 Ca -0.06 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.81 2wc4 n ALA 181 Cb 0.59 -2.20 0.18 0.00 0.00 0.00 0.00 19.45 18.01 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 0.80 2.08 -1.62 0.00 -0.04 -1.24 -4.58 135.00 130.40 2wc4 n PRO 182 Ca 0.07 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2wc4 n PRO 182 Cb 0.34 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2wc4 n PRO 182 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wc4 n GLY 183 N 0.98 0.62 3.89 0.55 0.00 0.12 -5.03 105.19 106.31 2wc4 n GLY 183 Ca 0.13 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2wc4 n GLY 183 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wc4 s MET 184 N -3.40 3.70 -0.60 1.61 -1.94 -0.66 -4.64 119.30 113.38 2wc4 s MET 184 Ca 0.00 0.12 0.05 0.00 -1.71 0.00 0.00 55.69 54.15 2wc4 s MET 184 Cb 0.00 -2.65 0.17 0.00 2.01 0.00 0.00 34.83 34.36 2wc4 s MET 184 CO 0.00 0.26 0.44 1.03 -0.01 0.00 0.00 175.02 176.73 2wc4 s ARG 185 N -3.23 1.89 -0.20 2.03 0.52 -1.22 -1.93 118.95 116.81 2wc4 s ARG 185 Ca 0.45 -2.90 -0.04 0.00 -0.52 0.00 0.00 55.73 52.73 2wc4 s ARG 185 Cb -0.11 -2.69 0.10 0.00 0.52 0.00 0.00 34.95 32.77 2wc4 s ARG 185 CO 0.26 -1.32 0.30 0.34 0.02 0.00 0.00 175.30 174.90 2wc4 s ASP 186 N -0.91 0.63 0.41 0.23 -1.08 -0.30 -4.95 116.67 110.70 2wc4 s ASP 186 Ca 0.28 0.22 0.19 0.00 -0.52 0.00 0.00 52.55 52.71 2wc4 s ASP 186 Cb -0.01 0.78 0.91 0.00 -1.46 0.00 0.00 42.92 43.13 2wc4 s ASP 186 CO -0.18 -0.29 1.86 -0.29 0.52 0.00 0.00 175.17 176.79 2wc4 h ILE 187 N 6.25 0.94 -0.14 4.11 2.10 -1.91 -0.61 117.51 128.25 2wc4 h ILE 187 Ca -0.17 -1.15 -0.17 0.00 1.08 0.00 0.00 64.86 64.45 2wc4 h ILE 187 Cb 1.14 1.67 0.01 0.00 -1.09 0.00 0.00 36.82 38.55 2wc4 h ILE 187 CO 0.23 0.30 -0.57 1.88 -1.08 0.00 0.00 178.15 178.91 2wc4 h TYR 188 N 0.00 0.85 -0.82 2.19 -1.99 -1.94 -2.39 116.97 112.88 2wc4 h TYR 188 Ca -0.00 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.33 2wc4 h TYR 188 Cb 0.65 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.20 2wc4 h TYR 188 CO 0.00 1.16 0.38 0.28 -0.00 0.00 0.00 178.16 179.98 2wc4 h VAL 189 N 0.30 1.26 -0.66 -2.88 2.07 -1.79 -2.01 116.25 112.54 2wc4 h VAL 189 Ca -0.03 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2wc4 h VAL 189 Cb 1.20 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2wc4 h VAL 189 CO 0.12 0.31 0.43 0.00 0.02 0.00 0.00 177.57 178.45 2wc4 h ALA 190 N 1.20 0.84 0.00 1.67 0.00 -0.99 0.21 119.26 122.19 2wc4 h ALA 190 Ca 0.28 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2wc4 h ALA 190 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wc4 h ALA 190 CO -0.03 0.27 -0.66 0.74 0.00 0.00 0.00 179.25 179.58 2wc4 h PHE 191 N 0.89 0.00 -0.75 0.00 0.04 -1.33 -1.75 116.94 114.04 2wc4 h PHE 191 Ca 0.24 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 2wc4 h PHE 191 Cb -0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 2wc4 h PHE 191 CO -0.03 0.66 0.35 0.00 -0.60 0.00 0.00 178.31 178.69 2wc4 h ARG 192 N 0.00 1.08 -0.26 1.51 3.08 -0.56 -2.50 114.38 116.73 2wc4 h ARG 192 Ca -0.01 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2wc4 h ARG 192 Cb 1.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2wc4 h ARG 192 CO 0.09 0.84 0.14 0.00 -1.07 0.00 0.00 179.97 179.97 2wc4 h ALA 193 N 1.31 0.33 -0.44 0.04 0.00 -0.11 0.29 119.26 120.69 2wc4 h ALA 193 Ca 0.26 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2wc4 h ALA 193 Cb 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2wc4 h ALA 193 CO -0.03 -0.14 -0.07 0.28 0.00 0.00 0.00 179.25 179.29 2wc4 h VAL 194 N 0.30 0.60 -0.36 0.00 2.07 -1.20 0.16 116.25 117.83 2wc4 h VAL 194 Ca 0.09 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 2wc4 h VAL 194 Cb 0.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2wc4 h VAL 194 CO -0.01 0.01 -0.10 -0.74 0.02 0.00 0.00 177.57 176.74 2wc4 h HIS 195 N 0.04 0.79 -0.13 1.57 6.17 -1.16 -2.13 115.15 120.29 2wc4 h HIS 195 Ca 0.21 -0.17 -0.09 0.00 0.71 0.00 0.00 60.37 61.03 2wc4 h HIS 195 Cb 0.32 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.05 2wc4 h HIS 195 CO -0.34 0.86 -0.32 -0.91 0.71 0.00 0.00 177.93 177.92 2wc4 h ASN 196 N 0.49 0.26 -0.46 3.26 2.35 -0.59 -0.87 115.58 120.01 2wc4 h ASN 196 Ca 0.09 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2wc4 h ASN 196 Cb 0.61 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2wc4 h ASN 196 CO 0.04 0.58 0.26 -0.07 -1.65 0.00 0.00 177.43 176.59 2wc4 h LEU 197 N 0.23 0.58 -0.61 1.61 3.38 -0.51 1.00 115.31 120.98 2wc4 h LEU 197 Ca 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wc4 h LEU 197 Cb 0.69 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2wc4 h LEU 197 CO 0.05 0.50 0.36 -0.07 0.09 0.00 0.00 178.44 179.37 2wc4 h LEU 198 N 0.61 0.73 -0.57 1.67 3.38 -1.01 -0.37 115.31 119.76 2wc4 h LEU 198 Ca 0.16 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2wc4 h LEU 198 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2wc4 h LEU 198 CO -0.03 0.58 0.13 0.03 0.09 0.00 0.00 178.44 179.25 2wc4 h ARG 199 N 0.82 0.92 -0.34 1.13 3.08 -0.85 -1.66 114.38 117.48 2wc4 h ARG 199 Ca 0.22 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wc4 h ARG 199 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2wc4 h ARG 199 CO -0.04 0.86 0.17 0.00 -1.07 0.00 0.00 179.97 179.89 2wc4 h ALA 200 N 1.02 0.44 -0.24 0.04 0.00 -0.52 -2.02 119.26 117.98 2wc4 h ALA 200 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2wc4 h ALA 200 Cb 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2wc4 h ALA 200 CO 0.00 -0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.45 2wc4 h HIS 201 N 0.42 -0.12 -0.15 0.00 -0.00 -0.98 -0.39 115.15 113.93 2wc4 h HIS 201 Ca 0.12 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.39 2wc4 h HIS 201 Cb 0.11 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2wc4 h HIS 201 CO -0.02 -0.10 -0.41 0.00 -0.00 0.00 0.00 177.93 177.40 2wc4 h ALA 202 N 1.24 1.02 -0.37 5.26 0.00 -1.15 -1.72 119.26 123.55 2wc4 h ALA 202 Ca 0.12 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2wc4 h ALA 202 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wc4 h ALA 202 CO -0.25 0.61 -0.24 -0.09 0.00 0.00 0.00 179.25 179.29 2wc4 h ARG 203 N 0.29 0.81 -0.82 0.00 9.65 -1.04 -1.11 114.38 122.16 2wc4 h ARG 203 Ca 0.03 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.52 2wc4 h ARG 203 Cb 0.85 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.38 2wc4 h ARG 203 CO 0.07 1.01 0.51 0.00 2.80 0.00 0.00 179.97 184.36 2wc4 h ALA 204 N 0.78 1.35 -0.26 2.80 0.00 -0.76 -0.96 119.26 122.21 2wc4 h ALA 204 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2wc4 h ALA 204 Cb 0.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wc4 h ALA 204 CO 0.07 0.57 -0.04 0.28 0.00 0.00 0.00 179.25 180.12 2wc4 h VAL 205 N 1.12 1.28 -0.48 0.00 2.07 -0.99 0.48 116.25 119.73 2wc4 h VAL 205 Ca 0.30 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.88 2wc4 h VAL 205 Cb -0.07 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 2wc4 h VAL 205 CO -0.06 0.32 0.02 0.50 0.02 0.00 0.00 177.57 178.38 2wc4 h LYS 206 N 0.25 0.13 -0.80 1.57 3.64 -0.93 0.27 116.57 120.70 2wc4 h LYS 206 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2wc4 h LYS 206 Cb 0.50 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2wc4 h LYS 206 CO 0.02 0.09 0.41 0.28 -2.27 0.00 0.00 179.45 177.98 2wc4 h VAL 207 N 0.14 1.24 -0.87 2.00 2.07 -0.98 -2.55 116.25 117.29 2wc4 h VAL 207 Ca 0.24 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2wc4 h VAL 207 Cb 0.35 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2wc4 h VAL 207 CO -0.38 0.28 0.53 0.15 0.02 0.00 0.00 177.57 178.17 2wc4 h PHE 208 N 1.12 1.14 0.00 1.57 3.57 0.70 -1.53 116.94 123.51 2wc4 h PHE 208 Ca 0.28 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2wc4 h PHE 208 Cb 0.06 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2wc4 h PHE 208 CO 0.01 0.75 -0.19 0.00 -2.23 0.00 0.00 178.31 176.66 2wc4 h ARG 209 N 1.20 0.00 0.00 1.11 2.47 -0.59 -1.12 114.38 117.45 2wc4 h ARG 209 Ca 0.31 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.96 2wc4 h ARG 209 Cb -0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2wc4 h ARG 209 CO -0.06 0.19 -0.36 0.93 0.56 0.00 0.00 179.97 181.22 2wc4 h GLU 210 N 0.00 0.00 0.00 0.04 5.08 -1.19 -3.41 114.58 115.10 2wc4 h GLU 210 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2wc4 h GLU 210 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2wc4 h GLU 210 CO 0.02 0.34 -1.62 2.41 -1.00 0.00 0.00 179.01 179.17 2wc4 n THR 211 N -3.18 0.62 -3.94 1.13 -1.04 -0.87 -4.86 114.28 102.15 2wc4 n THR 211 Ca 0.02 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.46 2wc4 n THR 211 Cb 0.67 -0.85 -0.14 0.00 -1.82 0.00 0.00 70.33 68.19 2wc4 n THR 211 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wc4 s VAL 212 N -2.22 2.45 -0.14 12.58 1.01 -0.48 -4.95 120.40 128.66 2wc4 s VAL 212 Ca -0.12 -3.12 0.24 0.00 0.00 0.00 0.00 61.98 58.98 2wc4 s VAL 212 Cb 0.03 -2.72 0.27 0.00 0.00 0.00 0.00 36.38 33.97 2wc4 s VAL 212 CO 0.28 -0.78 1.70 0.11 0.00 0.00 0.00 175.10 176.42 2wc4 h LYS 213 N 6.68 0.00 -0.42 2.72 1.79 -1.83 -3.23 116.57 122.28 2wc4 h LYS 213 Ca -0.07 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 2wc4 h LYS 213 Cb 0.91 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.47 2wc4 h LYS 213 CO 0.65 0.15 0.05 -0.40 -1.08 0.00 0.00 179.45 178.82 2wc4 n ASP 214 N -3.19 3.33 -4.71 0.86 5.75 -1.26 -5.02 116.55 112.31 2wc4 n ASP 214 Ca 0.02 -3.44 -0.25 0.00 -0.01 0.00 0.00 54.79 51.11 2wc4 n ASP 214 Cb 0.50 -0.63 -0.08 0.00 -1.03 0.00 0.00 41.12 39.88 2wc4 n ASP 214 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wc4 s GLY 215 N -2.06 2.28 0.04 6.12 0.00 -1.22 -4.98 107.32 107.49 2wc4 s GLY 215 Ca 0.46 -2.09 0.09 0.00 0.00 0.00 0.00 44.72 43.18 2wc4 s GLY 215 CO 0.05 -1.92 -0.26 0.54 0.00 0.00 0.00 173.10 171.51 2wc4 s LYS 216 N -3.84 1.83 0.02 2.90 1.02 0.51 -5.02 119.74 117.15 2wc4 s LYS 216 Ca 0.39 -1.09 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2wc4 s LYS 216 Cb 0.03 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 2wc4 s LYS 216 CO 0.21 0.52 -0.11 -1.50 -0.92 0.00 0.00 175.35 173.55 2wc4 s ILE 217 N -0.78 0.85 0.00 2.17 2.07 -1.26 -1.36 121.20 122.88 2wc4 s ILE 217 Ca 0.11 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 2wc4 s ILE 217 Cb -0.10 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.72 2wc4 s ILE 217 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2wc4 n GLY 218 N 2.18 3.81 3.36 1.50 0.00 0.08 -0.80 105.19 115.33 2wc4 n GLY 218 Ca -0.17 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.08 0.03 -0.08 -0.61 2.07 -1.24 -1.30 121.20 117.99 2wc4 s ILE 219 Ca 0.00 -0.28 0.04 0.00 -1.41 0.00 0.00 60.65 59.00 2wc4 s ILE 219 Cb 0.00 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 2wc4 s ILE 219 CO 0.00 -0.15 -0.20 -0.69 -1.91 0.00 0.00 174.94 171.99 2wc4 s VAL 220 N -1.36 2.50 -0.03 4.00 1.01 -0.76 -1.01 120.40 124.75 2wc4 s VAL 220 Ca -0.12 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.04 2wc4 s VAL 220 Cb -0.03 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2wc4 s VAL 220 CO 0.06 0.56 -0.24 -0.36 0.00 0.00 0.00 175.10 175.12 2wc4 s PHE 221 N -0.09 2.39 0.60 5.22 0.08 -0.28 -1.09 117.98 124.82 2wc4 s PHE 221 Ca -0.04 -0.46 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 2wc4 s PHE 221 Cb -0.14 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 2wc4 s PHE 221 CO 0.04 -0.05 1.08 0.54 -0.10 0.00 0.00 175.22 176.73 2wc4 s ASN 222 N -0.54 5.58 -0.14 1.36 4.22 -1.26 -0.56 114.94 123.61 2wc4 s ASN 222 Ca 0.08 1.92 -0.17 0.00 -2.14 0.00 0.00 52.86 52.55 2wc4 s ASN 222 Cb -0.11 -2.55 0.04 0.00 1.28 0.00 0.00 41.25 39.92 2wc4 s ASN 222 CO 0.00 -1.31 0.45 0.20 -2.04 0.00 0.00 177.10 174.40 2wc4 s ASN 223 N -2.57 -0.44 0.26 3.54 0.01 -0.94 -4.13 114.94 110.67 2wc4 s ASN 223 Ca 0.66 0.77 0.11 0.00 -0.71 0.00 0.00 52.86 53.69 2wc4 s ASN 223 Cb -0.18 0.80 -0.05 0.00 0.41 0.00 0.00 41.25 42.23 2wc4 s ASN 223 CO 0.36 -0.23 -0.17 -0.83 -1.51 0.00 0.00 177.10 174.72 2wc4 s GLY 224 N -0.10 1.83 -0.54 0.66 0.00 -1.26 -4.21 107.32 103.69 2wc4 s GLY 224 Ca -0.03 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.70 2wc4 s GLY 224 CO 0.02 -1.88 0.62 -0.47 0.00 0.00 0.00 173.10 171.39 2wc4 s TYR 225 N -2.36 3.06 -0.10 1.90 5.04 -0.94 -4.95 117.35 119.00 2wc4 s TYR 225 Ca 0.29 -0.81 -0.18 0.00 -2.44 0.00 0.00 57.07 53.93 2wc4 s TYR 225 Cb -0.06 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.50 2wc4 s TYR 225 CO 0.15 -1.11 0.48 -0.06 -1.34 0.00 0.00 175.55 173.66 2wc4 s PHE 226 N 2.48 3.54 0.05 4.97 0.08 -1.26 -0.75 117.98 127.09 2wc4 s PHE 226 Ca 0.12 0.91 0.07 0.00 0.12 0.00 0.00 56.93 58.15 2wc4 s PHE 226 Cb -0.23 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 2wc4 s PHE 226 CO 0.08 0.22 -0.20 -1.21 -0.10 0.00 0.00 175.22 174.02 2wc4 s GLU 227 N 0.42 1.26 0.24 0.44 2.02 -0.19 -4.97 118.70 117.92 2wc4 s GLU 227 Ca 0.26 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 54.04 2wc4 s GLU 227 Cb -0.15 -1.38 -0.09 0.00 0.10 0.00 0.00 34.13 32.61 2wc4 s GLU 227 CO 0.11 0.34 0.86 -1.25 0.02 0.00 0.00 175.26 175.34 2wc4 s PRO 228 N -1.33 4.59 0.51 0.39 0.04 -1.26 -0.97 135.00 136.98 2wc4 s PRO 228 Ca 0.06 1.24 0.27 0.00 0.04 0.00 0.00 61.00 62.61 2wc4 s PRO 228 Cb -0.09 -3.07 1.37 0.00 0.04 0.00 0.00 34.50 32.75 2wc4 s PRO 228 CO 0.02 0.45 2.04 0.00 0.04 0.00 0.00 177.00 179.54 2wc4 h ALA 229 N 3.80 1.25 -2.99 8.56 0.00 -1.05 -3.45 119.26 125.38 2wc4 h ALA 229 Ca -0.47 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2wc4 h ALA 229 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2wc4 h ALA 229 CO 0.66 0.17 0.15 -1.54 0.00 0.00 0.00 179.25 178.69 2wc4 s SER 230 N -6.17 0.29 0.00 0.00 1.04 -1.26 -5.04 113.70 102.56 2wc4 s SER 230 Ca -0.02 -1.27 0.28 0.00 0.48 0.00 0.00 55.95 55.42 2wc4 s SER 230 Cb 0.13 0.81 1.11 0.00 0.10 0.00 0.00 66.02 68.17 2wc4 s SER 230 CO 0.59 -1.61 1.78 -0.62 0.98 0.00 0.00 173.24 174.36 2wc4 n GLU 231 N -0.55 1.61 -1.63 4.02 1.02 -1.26 -4.56 120.64 119.30 2wc4 n GLU 231 Ca -0.06 -0.89 -0.44 0.00 -0.02 0.00 0.00 57.16 55.75 2wc4 n GLU 231 Cb 0.60 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 2wc4 n GLU 231 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wc4 n LYS 232 N 0.08 1.61 -0.14 3.49 5.02 -1.26 -4.84 118.16 122.13 2wc4 n LYS 232 Ca 0.19 0.57 0.09 0.00 -2.02 0.00 0.00 58.31 57.14 2wc4 n LYS 232 Cb 0.34 -2.02 0.42 0.00 -0.02 0.00 0.00 35.03 33.75 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 2.14 0.58 0.00 1.97 -0.00 -2.00 -2.14 114.58 115.13 2wc4 h GLU 233 Ca -0.42 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.36 58.80 2wc4 h GLU 233 Cb 1.32 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.92 2wc4 h GLU 233 CO 0.61 0.38 -0.51 1.05 -0.00 0.00 0.00 179.01 180.55 2wc4 h GLU 234 N 0.60 0.00 -0.20 1.06 9.09 -1.96 -0.48 114.58 122.69 2wc4 h GLU 234 Ca 0.30 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.54 2wc4 h GLU 234 Cb 0.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 2wc4 h GLU 234 CO -0.10 0.51 -0.56 -0.44 0.05 0.00 0.00 179.01 178.47 2wc4 h ASP 235 N 0.00 0.67 -0.52 3.06 3.32 -1.70 -1.53 116.42 119.72 2wc4 h ASP 235 Ca -0.01 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.56 2wc4 h ASP 235 Cb 0.98 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2wc4 h ASP 235 CO 0.07 1.09 -0.15 0.40 -1.72 0.00 0.00 179.24 178.93 2wc4 h ILE 236 N 0.46 1.27 -0.37 0.35 2.04 -1.11 -1.57 117.51 118.58 2wc4 h ILE 236 Ca 0.01 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.47 2wc4 h ILE 236 Cb 1.12 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2wc4 h ILE 236 CO 0.11 0.46 -0.11 0.03 0.00 0.00 0.00 178.15 178.64 2wc4 h ARG 237 N 0.90 0.64 -0.54 2.37 3.08 -1.11 -2.46 114.38 117.26 2wc4 h ARG 237 Ca 0.13 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2wc4 h ARG 237 Cb 0.72 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2wc4 h ARG 237 CO 0.06 0.73 0.30 0.00 -1.07 0.00 0.00 179.97 179.99 2wc4 h ALA 238 N 1.30 0.69 -0.67 0.04 0.00 -0.87 0.32 119.26 120.07 2wc4 h ALA 238 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wc4 h ALA 238 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2wc4 h ALA 238 CO 0.03 0.21 0.41 0.28 0.00 0.00 0.00 179.25 180.19 2wc4 h VAL 239 N 0.73 1.19 -0.68 0.00 2.07 -1.18 -0.42 116.25 117.96 2wc4 h VAL 239 Ca 0.19 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2wc4 h VAL 239 Cb 0.04 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 2wc4 h VAL 239 CO -0.03 0.19 0.32 -0.09 0.02 0.00 0.00 177.57 177.98 2wc4 h ARG 240 N 0.91 0.99 -0.14 1.57 2.43 -0.94 0.15 114.38 119.36 2wc4 h ARG 240 Ca 0.24 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2wc4 h ARG 240 Cb -0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2wc4 h ARG 240 CO -0.05 0.79 0.05 0.35 -1.51 0.00 0.00 179.97 179.60 2wc4 h PHE 241 N 0.95 0.09 -0.90 2.20 3.57 -0.65 -1.01 116.94 121.19 2wc4 h PHE 241 Ca 0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2wc4 h PHE 241 Cb 0.13 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2wc4 h PHE 241 CO 0.01 0.05 0.49 0.52 -2.23 0.00 0.00 178.31 177.15 2wc4 h MET 242 N 0.12 1.26 -0.36 1.11 2.86 -0.51 -0.40 114.93 119.01 2wc4 h MET 242 Ca 0.06 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2wc4 h MET 242 Cb 0.03 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2wc4 h MET 242 CO -0.06 0.93 0.11 1.25 1.06 0.00 0.00 176.91 180.21 2wc4 h HIS 243 N 1.27 0.58 -0.03 -0.22 -0.00 -0.85 0.21 115.15 116.10 2wc4 h HIS 243 Ca 0.32 -0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.51 2wc4 h HIS 243 Cb 0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2wc4 h HIS 243 CO 0.01 0.56 -0.52 1.96 -0.00 0.00 0.00 177.93 179.94 2wc4 h GLN 244 N 0.43 0.08 0.07 5.26 4.20 -0.55 -2.35 115.11 122.25 2wc4 h GLN 244 Ca 0.12 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.53 2wc4 h GLN 244 Cb 0.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2wc4 h GLN 244 CO -0.00 0.59 -1.32 0.35 -0.67 0.00 0.00 178.83 177.77 2wc4 h PHE 245 N 0.07 0.25 0.00 2.96 3.57 -1.08 -2.45 116.94 120.26 2wc4 h PHE 245 Ca -0.00 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.26 2wc4 h PHE 245 Cb 0.95 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2wc4 h PHE 245 CO 0.01 1.52 -1.22 0.09 -2.23 0.00 0.00 178.31 176.47 2wc4 n ASN 246 N -4.10 0.79 -3.30 0.41 5.03 0.06 -4.66 115.26 109.47 2wc4 n ASN 246 Ca -0.27 0.32 -0.09 0.00 0.87 0.00 0.00 54.58 55.40 2wc4 n ASN 246 Cb 0.81 0.46 0.02 0.00 -1.02 0.00 0.00 39.78 40.05 2wc4 n ASN 246 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2wc4 n ASN 247 N -2.72 1.17 -0.08 6.41 3.02 -0.89 -4.56 115.26 117.62 2wc4 n ASN 247 Ca -0.04 -1.73 0.26 0.00 -0.03 0.00 0.00 54.58 53.04 2wc4 n ASN 247 Cb 0.65 -0.14 0.69 0.00 -0.61 0.00 0.00 39.78 40.37 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 0.19 0.00 0.00 3.10 -0.00 -1.80 -2.94 116.97 115.52 2wc4 h TYR 248 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.58 2wc4 h TYR 248 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.29 2wc4 h TYR 248 CO 0.00 0.00 -0.09 -1.35 -0.00 0.00 0.00 178.16 176.72 2wc4 h PRO 249 N 0.00 0.00 -0.57 0.10 0.11 -1.77 0.15 132.00 130.02 2wc4 h PRO 249 Ca 0.35 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.56 2wc4 h PRO 249 Cb 1.75 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.83 2wc4 h PRO 249 CO -0.00 0.09 0.39 1.25 -0.21 0.00 0.00 178.00 179.52 2wc4 h LEU 250 N 0.00 0.30 0.00 2.35 5.85 -1.24 -0.27 115.31 122.30 2wc4 h LEU 250 Ca -0.00 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.41 2wc4 h LEU 250 Cb 0.32 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2wc4 h LEU 250 CO 0.01 0.18 -2.20 0.49 -0.34 0.00 0.00 178.44 176.59 2wc4 n PHE 251 N -4.46 0.00 0.09 1.25 3.72 -0.83 -4.41 117.46 112.82 2wc4 n PHE 251 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 2wc4 n PHE 251 Cb 0.40 -0.85 -0.05 0.00 -0.94 0.00 0.00 39.48 38.03 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 -0.27 4.37 3.38 -0.84 -2.18 115.31 119.77 2wc4 h LEU 252 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2wc4 h LEU 252 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2wc4 h LEU 252 CO 0.01 0.73 0.04 -1.13 0.09 0.00 0.00 178.44 178.18 2wc4 h ASN 253 N 0.00 0.43 -0.10 -0.43 -1.24 -1.25 0.86 115.58 113.85 2wc4 h ASN 253 Ca -0.04 -0.27 0.04 0.00 0.71 0.00 0.00 56.30 56.74 2wc4 h ASN 253 Cb 1.59 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 40.48 2wc4 h ASN 253 CO 0.09 0.59 -0.22 -0.65 -1.29 0.00 0.00 177.43 175.95 2wc4 h PRO 254 N 0.26 -0.29 -0.42 6.67 0.11 -1.22 0.30 132.00 137.40 2wc4 h PRO 254 Ca 0.08 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wc4 h PRO 254 Cb 0.35 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2wc4 h PRO 254 CO 0.01 -0.19 0.26 0.82 -0.21 0.00 0.00 178.00 178.68 2wc4 h ILE 255 N -0.30 1.13 0.01 4.15 2.04 -1.15 -0.27 117.51 123.13 2wc4 h ILE 255 Ca 0.09 -0.30 -0.34 0.00 1.00 0.00 0.00 64.86 65.31 2wc4 h ILE 255 Cb 0.43 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2wc4 h ILE 255 CO -0.27 0.13 -2.12 -1.22 0.00 0.00 0.00 178.15 174.68 2wc4 n TYR 256 N -4.75 0.48 0.38 1.37 4.01 0.27 -4.38 117.16 114.54 2wc4 n TYR 256 Ca 0.01 0.16 0.04 0.00 -0.16 0.00 0.00 57.90 57.94 2wc4 n TYR 256 Cb 0.05 -1.08 -0.01 0.00 -0.31 0.00 0.00 39.34 37.99 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 -2.97 2.77 -0.88 -0.72 1.74 0.94 -5.04 116.66 112.50 2wc4 n ARG 257 Ca -0.28 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 2wc4 n ARG 257 Cb 1.09 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 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 0.92 0.51 3.50 -0.13 0.00 -0.11 -4.93 105.19 104.95 2wc4 n GLY 258 Ca 0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.38 -0.51 0.70 1.61 -1.08 -1.22 -4.79 116.67 109.00 2wc4 s ASP 259 Ca 0.00 -0.11 -0.14 0.00 -0.52 0.00 0.00 52.55 51.78 2wc4 s ASP 259 Cb 0.00 0.62 0.02 0.00 -1.46 0.00 0.00 42.92 42.11 2wc4 s ASP 259 CO 0.00 -1.04 1.12 -0.31 0.52 0.00 0.00 175.17 175.47 2wc4 s TYR 260 N -3.78 2.48 0.40 -5.34 2.02 -1.26 -1.37 117.35 110.50 2wc4 s TYR 260 Ca 0.03 1.57 -0.25 0.00 -0.37 0.00 0.00 57.07 58.05 2wc4 s TYR 260 Cb -0.02 -3.20 -0.11 0.00 -0.40 0.00 0.00 41.96 38.23 2wc4 s TYR 260 CO -0.09 -1.90 1.12 -2.30 -1.57 0.00 0.00 175.55 170.80 2wc4 n PRO 261 N -2.74 1.60 -0.36 -1.71 -0.02 -1.26 -4.74 135.00 125.76 2wc4 n PRO 261 Ca 0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2wc4 n PRO 261 Cb 0.52 -2.15 0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2wc4 n PRO 261 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2wc4 h GLU 262 N 1.84 -0.01 -0.19 -0.52 4.11 -1.99 -0.59 114.58 117.23 2wc4 h GLU 262 Ca -0.45 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.91 2wc4 h GLU 262 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2wc4 h GLU 262 CO 0.59 -0.01 -0.20 -0.07 0.07 0.00 0.00 179.01 179.39 2wc4 h LEU 263 N -0.01 0.31 -0.34 3.06 3.38 -1.96 -0.70 115.31 119.05 2wc4 h LEU 263 Ca 0.37 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 2wc4 h LEU 263 Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2wc4 h LEU 263 CO -0.97 0.53 -0.39 0.58 0.09 0.00 0.00 178.44 178.27 2wc4 h VAL 264 N 0.29 1.28 -0.45 1.22 2.07 -1.51 -2.17 116.25 116.99 2wc4 h VAL 264 Ca 0.05 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 2wc4 h VAL 264 Cb 0.53 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2wc4 h VAL 264 CO 0.04 0.52 0.05 -0.07 0.02 0.00 0.00 177.57 178.13 2wc4 h LEU 265 N 0.67 0.73 -0.52 2.57 3.38 -0.99 0.21 115.31 121.36 2wc4 h LEU 265 Ca 0.05 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2wc4 h LEU 265 Cb 0.99 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2wc4 h LEU 265 CO 0.10 0.82 0.10 -0.08 0.09 0.00 0.00 178.44 179.46 2wc4 h GLU 266 N 0.61 0.23 0.19 1.13 4.81 -1.03 -1.54 114.58 118.97 2wc4 h GLU 266 Ca 0.13 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 59.04 2wc4 h GLU 266 Cb 0.41 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.76 2wc4 h GLU 266 CO 0.01 0.15 -1.37 0.35 -0.73 0.00 0.00 179.01 177.43 2wc4 h PHE 267 N 0.24 0.72 0.00 0.92 3.57 -1.26 -3.40 116.94 117.72 2wc4 h PHE 267 Ca 0.26 -0.52 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2wc4 h PHE 267 Cb 0.36 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2wc4 h PHE 267 CO -0.23 1.42 0.00 0.00 -2.23 0.00 0.00 178.31 177.26 2wc4 n ALA 268 N -2.62 2.16 -0.28 2.41 0.00 0.72 -4.72 120.51 118.18 2wc4 n ALA 268 Ca -0.13 -0.72 0.28 0.00 0.00 0.00 0.00 53.44 52.86 2wc4 n ALA 268 Cb 1.06 0.00 0.64 0.00 0.00 0.00 0.00 19.45 21.15 2wc4 n ALA 268 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2wc4 h ARG 269 N 0.00 0.17 -0.29 0.00 0.11 -1.43 0.06 114.38 113.00 2wc4 h ARG 269 Ca 0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2wc4 h ARG 269 Cb 0.28 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2wc4 h ARG 269 CO 0.00 0.11 0.16 1.49 0.10 0.00 0.00 179.97 181.83 2wc4 h GLU 270 N 0.18 0.39 0.00 0.08 4.57 -1.86 -3.10 114.58 114.84 2wc4 h GLU 270 Ca 0.53 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 2wc4 h GLU 270 Cb 1.74 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 2wc4 h GLU 270 CO -0.12 0.29 -1.59 0.66 -1.18 0.00 0.00 179.01 177.07 2wc4 n TYR 271 N -4.46 0.36 -2.29 0.92 4.01 -0.01 -4.90 117.16 110.78 2wc4 n TYR 271 Ca 0.01 0.10 -0.32 0.00 -0.16 0.00 0.00 57.90 57.53 2wc4 n TYR 271 Cb 0.09 -0.65 -0.02 0.00 -0.31 0.00 0.00 39.34 38.45 2wc4 n TYR 271 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wc4 s LEU 272 N -4.77 3.60 0.46 7.72 1.43 -1.08 -4.28 118.68 121.76 2wc4 s LEU 272 Ca -0.05 1.69 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 2wc4 s LEU 272 Cb 0.12 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.75 2wc4 s LEU 272 CO 0.86 -0.81 1.39 -2.84 0.23 0.00 0.00 176.35 175.18 2wc4 s PRO 273 N -3.99 3.62 0.27 1.29 0.02 -1.26 -4.90 135.00 130.05 2wc4 s PRO 273 Ca 0.61 2.33 -0.03 0.00 0.02 0.00 0.00 61.00 63.94 2wc4 s PRO 273 Cb -0.13 -2.58 0.36 0.00 0.02 0.00 0.00 34.50 32.17 2wc4 s PRO 273 CO 0.32 -0.84 1.85 1.49 -0.33 0.00 0.00 177.00 179.49 2wc4 h GLU 274 N 2.19 0.96 -0.99 5.54 4.57 -1.94 -1.89 114.58 123.01 2wc4 h GLU 274 Ca -0.51 -0.16 -0.63 0.00 -1.18 0.00 0.00 59.36 56.89 2wc4 h GLU 274 Cb 1.27 -0.16 -0.30 0.00 -0.16 0.00 0.00 28.75 29.40 2wc4 h GLU 274 CO 0.60 0.79 0.78 0.09 -1.18 0.00 0.00 179.01 180.09 2wc4 n ASN 275 N -4.30 6.52 -0.04 1.04 5.03 -1.26 -4.65 115.26 117.60 2wc4 n ASN 275 Ca 0.06 -3.74 0.10 0.00 0.87 0.00 0.00 54.58 51.87 2wc4 n ASN 275 Cb 0.18 -0.93 0.50 0.00 -1.02 0.00 0.00 39.78 38.51 2wc4 n ASN 275 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 2wc4 h TYR 276 N 1.72 0.41 0.00 3.10 -0.00 -1.70 -2.39 116.97 118.10 2wc4 h TYR 276 Ca 0.61 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.35 2wc4 h TYR 276 Cb 1.40 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 38.00 2wc4 h TYR 276 CO 1.47 0.21 0.00 -0.22 -0.00 0.00 0.00 178.16 179.62 2wc4 h LYS 277 N 0.40 0.00 0.00 0.10 3.64 -1.85 -1.52 116.57 117.33 2wc4 h LYS 277 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2wc4 h LYS 277 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2wc4 h LYS 277 CO -0.06 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 176.68 2wc4 h ASP 278 N 0.00 0.00 0.29 4.20 3.32 -1.82 -1.50 116.42 120.91 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 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2wc4 h ASP 278 CO 0.00 0.00 -0.64 0.47 -1.72 0.00 0.00 179.24 177.35 2wc4 n ASP 279 N -3.06 0.77 -0.06 6.45 8.00 -0.57 -4.38 116.55 123.70 2wc4 n ASP 279 Ca -0.01 -0.60 -0.01 0.00 0.71 0.00 0.00 54.79 54.88 2wc4 n ASP 279 Cb 0.17 0.50 0.27 0.00 -0.02 0.00 0.00 41.12 42.03 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 0.21 0.66 -0.48 -1.24 2.86 -1.37 -1.68 114.93 113.88 2wc4 h MET 280 Ca 0.00 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2wc4 h MET 280 Cb 0.51 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 2wc4 h MET 280 CO 0.00 0.61 0.16 1.03 1.06 0.00 0.00 176.91 179.77 2wc4 h SER 281 N 0.64 0.15 0.45 1.22 0.87 -1.76 -2.21 113.55 112.91 2wc4 h SER 281 Ca 0.15 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 2wc4 h SER 281 Cb 0.25 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2wc4 h SER 281 CO -0.00 0.12 -0.67 -0.33 -0.53 0.00 0.00 176.83 175.41 2wc4 h GLU 282 N 0.33 0.20 0.00 2.24 5.08 -1.76 -2.93 114.58 117.74 2wc4 h GLU 282 Ca 0.23 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wc4 h GLU 282 Cb 0.25 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2wc4 h GLU 282 CO -0.25 0.80 -0.01 0.82 -1.00 0.00 0.00 179.01 179.37 2wc4 h ILE 283 N 0.14 0.36 -0.07 3.13 2.04 -0.70 -2.61 117.51 119.81 2wc4 h ILE 283 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2wc4 h ILE 283 Cb 1.20 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2wc4 h ILE 283 CO 0.10 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.26 2wc4 n GLN 284 N -3.59 1.16 -1.64 2.37 6.02 -1.02 -4.54 117.38 116.13 2wc4 n GLN 284 Ca -0.03 -0.24 -0.59 0.00 -0.01 0.00 0.00 57.00 56.13 2wc4 n GLN 284 Cb 0.09 -1.07 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 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 -0.32 0.57 -1.74 -1.09 4.07 -0.98 -4.83 120.64 116.32 2wc4 n GLU 285 Ca 0.03 0.21 -0.42 0.00 -0.06 0.00 0.00 57.16 56.92 2wc4 n GLU 285 Cb 0.06 -1.79 -0.03 0.00 -0.06 0.00 0.00 31.44 29.63 2wc4 n GLU 285 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2wc4 s LYS 286 N 1.85 4.12 0.20 5.31 -2.85 -1.26 -5.01 119.74 122.11 2wc4 s LYS 286 Ca 0.95 2.61 0.07 0.00 -1.00 0.00 0.00 55.97 58.60 2wc4 s LYS 286 Cb -1.21 -3.06 -0.04 0.00 -2.06 0.00 0.00 37.83 31.46 2wc4 s LYS 286 CO 0.64 -0.73 0.10 0.96 0.10 0.00 0.00 175.35 176.42 2wc4 s ILE 287 N 0.93 4.16 -0.02 3.79 -4.36 -1.26 -4.99 121.20 119.44 2wc4 s ILE 287 Ca 0.72 -1.36 0.05 0.00 -0.26 0.00 0.00 60.65 59.80 2wc4 s ILE 287 Cb -0.49 -3.16 -0.25 0.00 1.25 0.00 0.00 42.46 39.81 2wc4 s ILE 287 CO 0.35 -0.21 0.74 0.44 0.24 0.00 0.00 174.94 176.50 2wc4 h ASP 288 N 2.16 0.17 -5.14 4.36 3.32 -1.36 -3.47 116.42 116.45 2wc4 h ASP 288 Ca -0.47 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.21 2wc4 h ASP 288 Cb 1.22 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 2wc4 h ASP 288 CO 0.61 1.26 -0.17 0.72 -1.72 0.00 0.00 179.24 179.94 2wc4 s PHE 289 N -2.61 0.05 -0.09 4.55 -0.12 -1.18 -3.73 117.98 114.85 2wc4 s PHE 289 Ca -0.08 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.41 2wc4 s PHE 289 Cb 0.08 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 2wc4 s PHE 289 CO 0.82 -0.74 -0.12 0.08 -0.05 0.00 0.00 175.22 175.22 2wc4 s VAL 290 N -3.88 3.21 -0.18 -2.49 1.01 -0.56 -3.68 120.40 113.84 2wc4 s VAL 290 Ca 0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2wc4 s VAL 290 Cb 0.02 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2wc4 s VAL 290 CO -0.06 0.56 0.06 -0.83 0.00 0.00 0.00 175.10 174.83 2wc4 s GLY 291 N -0.27 1.91 -0.16 4.51 0.00 -0.18 -1.21 107.32 111.93 2wc4 s GLY 291 Ca 0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 2wc4 s GLY 291 CO 0.03 0.01 -0.09 1.08 0.00 0.00 0.00 173.10 174.13 2wc4 s LEU 292 N 0.27 2.85 0.01 0.66 1.43 0.07 -1.12 118.68 122.84 2wc4 s LEU 292 Ca 0.04 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2wc4 s LEU 292 Cb -0.12 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2wc4 s LEU 292 CO 0.00 0.11 0.30 0.20 0.23 0.00 0.00 176.35 177.20 2wc4 s ASN 293 N 0.66 6.56 -0.16 2.29 0.01 0.28 -1.21 114.94 123.37 2wc4 s ASN 293 Ca -0.05 0.66 -0.09 0.00 -0.71 0.00 0.00 52.86 52.66 2wc4 s ASN 293 Cb -0.15 -2.13 0.05 0.00 0.41 0.00 0.00 41.25 39.43 2wc4 s ASN 293 CO 0.02 0.26 0.38 -0.47 -1.51 0.00 0.00 177.10 175.79 2wc4 s TYR 294 N -1.26 -0.53 0.00 2.20 5.04 -0.76 -2.21 117.35 119.82 2wc4 s TYR 294 Ca 0.27 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 2wc4 s TYR 294 Cb -0.14 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2wc4 s TYR 294 CO 0.15 -0.30 0.00 0.66 -1.34 0.00 0.00 175.55 174.71 2wc4 n TYR 295 N 4.04 0.00 -3.79 4.97 4.02 -1.26 -4.30 117.16 120.84 2wc4 n TYR 295 Ca -0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.57 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 -2.39 -0.01 0.13 7.72 1.04 -1.26 -4.73 113.70 114.20 2wc4 s SER 296 Ca 0.00 -0.45 0.09 0.00 0.48 0.00 0.00 55.95 56.07 2wc4 s SER 296 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2wc4 s SER 296 CO 0.00 -0.70 -0.16 -0.83 0.98 0.00 0.00 173.24 172.53 2wc4 s GLY 297 N -2.56 1.71 -0.03 7.32 0.00 -1.23 -2.22 107.32 110.33 2wc4 s GLY 297 Ca 0.01 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.35 2wc4 s GLY 297 CO -0.08 -1.38 -0.03 0.30 0.00 0.00 0.00 173.10 171.91 2wc4 s HIS 298 N -1.30 0.49 -0.08 1.90 3.76 0.07 -4.41 115.29 115.72 2wc4 s HIS 298 Ca 0.20 -0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 54.76 2wc4 s HIS 298 Cb -0.10 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 2wc4 s HIS 298 CO 0.11 -0.11 0.82 -1.17 -0.85 0.00 0.00 174.74 173.55 2wc4 s LEU 299 N 0.62 4.29 0.09 0.89 2.96 -1.26 -1.02 118.68 125.25 2wc4 s LEU 299 Ca -0.07 1.32 0.07 0.00 -0.22 0.00 0.00 54.13 55.23 2wc4 s LEU 299 Cb -0.10 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 2wc4 s LEU 299 CO -0.01 -0.24 -0.17 0.68 -1.32 0.00 0.00 176.35 175.29 2wc4 s VAL 300 N 1.27 1.39 0.04 1.68 -7.23 -0.14 0.18 120.40 117.59 2wc4 s VAL 300 Ca 0.42 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2wc4 s VAL 300 Cb -0.18 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 2wc4 s VAL 300 CO 0.19 -0.16 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.15 2wc4 s LYS 301 N -1.84 0.56 0.28 4.82 -2.85 -0.38 -0.44 119.74 119.89 2wc4 s LYS 301 Ca 0.02 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 53.96 2wc4 s LYS 301 Cb -0.10 -0.38 -0.11 0.00 -2.06 0.00 0.00 37.83 35.18 2wc4 s LYS 301 CO 0.03 0.07 1.62 0.12 0.10 0.00 0.00 175.35 177.30 2wc4 s PHE 302 N -1.25 2.75 -0.16 1.78 5.36 -1.26 -1.46 117.98 123.75 2wc4 s PHE 302 Ca -0.08 0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 2wc4 s PHE 302 Cb -0.09 -4.09 0.06 0.00 -0.34 0.00 0.00 43.02 38.56 2wc4 s PHE 302 CO 0.01 -3.75 0.12 0.34 -1.46 0.00 0.00 175.22 170.47 2wc4 s ASP 303 N 0.59 2.01 0.49 6.13 3.68 0.90 -4.80 116.67 125.67 2wc4 s ASP 303 Ca 0.65 -0.45 0.20 0.00 2.13 0.00 0.00 52.55 55.08 2wc4 s ASP 303 Cb -0.48 -0.09 1.24 0.00 -1.45 0.00 0.00 42.92 42.13 2wc4 s ASP 303 CO 0.46 -0.33 2.05 -0.65 0.13 0.00 0.00 175.17 176.83 2wc4 h PRO 304 N 8.40 0.00 0.00 4.34 0.11 -1.95 -2.50 132.00 140.40 2wc4 h PRO 304 Ca -0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 2wc4 h PRO 304 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wc4 h PRO 304 CO 0.27 0.13 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.59 2wc4 h ASP 305 N 0.00 0.00 -3.87 -2.05 3.32 -1.96 -3.47 116.42 108.39 2wc4 h ASP 305 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2wc4 h ASP 305 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2wc4 h ASP 305 CO 0.02 0.16 0.25 0.00 -1.72 0.00 0.00 179.24 177.95 2wc4 s ALA 306 N -3.13 3.20 0.45 3.45 0.00 -0.94 -4.98 121.76 119.81 2wc4 s ALA 306 Ca 0.06 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 2wc4 s ALA 306 Cb 0.06 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 2wc4 s ALA 306 CO 0.69 0.22 1.13 -1.25 0.00 0.00 0.00 175.76 176.55 2wc4 s PRO 307 N -2.66 3.85 0.00 0.00 0.04 -1.26 -0.93 135.00 134.04 2wc4 s PRO 307 Ca 0.54 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2wc4 s PRO 307 Cb -0.13 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2wc4 s PRO 307 CO 0.18 -0.46 0.00 0.00 0.04 0.00 0.00 177.00 176.76 2wc4 n ALA 308 N -0.42 0.00 -1.66 8.56 0.00 -1.26 -3.97 120.51 121.76 2wc4 n ALA 308 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2wc4 n ALA 308 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2wc4 n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wc4 n LYS 309 N -1.95 -0.99 -4.53 0.00 5.02 -0.10 -4.98 118.16 110.63 2wc4 n LYS 309 Ca 0.00 0.88 -0.21 0.00 -2.02 0.00 0.00 58.31 56.96 2wc4 n LYS 309 Cb 0.00 -5.01 -0.15 0.00 -0.02 0.00 0.00 35.03 29.84 2wc4 n LYS 309 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wc4 s VAL 310 N -2.56 0.96 0.11 -0.18 -7.23 -1.25 -0.07 120.40 110.17 2wc4 s VAL 310 Ca 0.00 -0.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 2wc4 s VAL 310 Cb 0.00 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 2wc4 s VAL 310 CO 0.00 0.28 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.47 2wc4 s SER 311 N -0.14 2.03 0.22 4.85 0.01 -0.53 -4.80 113.70 115.34 2wc4 s SER 311 Ca 0.02 -0.74 -0.20 0.00 1.31 0.00 0.00 55.95 56.34 2wc4 s SER 311 Cb -0.06 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 2wc4 s SER 311 CO -0.00 -0.08 0.73 -0.36 0.41 0.00 0.00 173.24 173.93 2wc4 s PHE 312 N -1.72 3.67 -0.19 2.43 2.99 -1.26 -1.25 117.98 122.65 2wc4 s PHE 312 Ca 0.06 1.41 -0.01 0.00 0.00 0.00 0.00 56.93 58.38 2wc4 s PHE 312 Cb -0.07 -2.63 0.00 0.00 0.00 0.00 0.00 43.02 40.32 2wc4 s PHE 312 CO 0.03 0.35 -0.12 0.08 -0.00 0.00 0.00 175.22 175.56 2wc4 s VAL 313 N -1.50 2.79 0.28 -0.44 1.01 0.13 -4.94 120.40 117.73 2wc4 s VAL 313 Ca 0.42 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 2wc4 s VAL 313 Cb -0.17 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 2wc4 s VAL 313 CO 0.21 0.49 1.29 -1.83 0.00 0.00 0.00 175.10 175.26 2wc4 s GLU 314 N 1.21 4.40 0.22 2.72 1.03 -1.26 -4.15 118.70 122.87 2wc4 s GLU 314 Ca 0.02 2.12 0.09 0.00 0.03 0.00 0.00 54.97 57.23 2wc4 s GLU 314 Cb -0.14 -3.13 -0.04 0.00 -0.80 0.00 0.00 34.13 30.02 2wc4 s GLU 314 CO -0.05 -0.17 -0.06 1.03 -1.33 0.00 0.00 175.26 174.68 2wc4 s ARG 315 N -1.14 2.14 -1.25 -4.83 0.52 -1.26 -5.04 118.95 108.09 2wc4 s ARG 315 Ca 0.51 -1.36 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 2wc4 s ARG 315 Cb -0.38 -2.14 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2wc4 s ARG 315 CO 0.46 0.40 1.72 0.34 0.02 0.00 0.00 175.30 178.24 2wc4 s ASP 316 N -3.22 6.60 0.09 0.23 3.68 -1.26 -4.92 116.67 117.87 2wc4 s ASP 316 Ca 0.28 -2.22 0.02 0.00 2.13 0.00 0.00 52.55 52.75 2wc4 s ASP 316 Cb -0.08 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.78 2wc4 s ASP 316 CO 0.17 -1.41 -0.07 -0.76 0.13 0.00 0.00 175.17 173.23 2wc4 s LEU 317 N 5.04 2.48 0.46 -1.34 1.43 -1.26 -5.13 118.68 120.36 2wc4 s LEU 317 Ca 0.55 -0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2wc4 s LEU 317 Cb 0.03 -0.10 -0.07 0.00 0.03 0.00 0.00 46.19 46.08 2wc4 s LEU 317 CO 0.06 -0.43 1.32 -2.84 0.23 0.00 0.00 176.35 174.70 2wc4 s PRO 318 N -3.54 3.68 0.17 1.29 0.02 -1.26 -4.84 135.00 130.51 2wc4 s PRO 318 Ca 0.09 2.18 0.07 0.00 0.02 0.00 0.00 61.00 63.36 2wc4 s PRO 318 Cb 0.03 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 2wc4 s PRO 318 CO -0.04 -0.74 -0.14 0.15 -0.33 0.00 0.00 177.00 175.90 2wc4 s LYS 319 N -2.51 1.19 0.57 5.54 1.02 -1.26 -0.38 119.74 123.91 2wc4 s LYS 319 Ca 0.62 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 2wc4 s LYS 319 Cb -0.38 -1.00 0.13 0.00 -0.52 0.00 0.00 37.83 36.05 2wc4 s LYS 319 CO 0.48 0.17 0.77 0.25 -0.92 0.00 0.00 175.35 176.11 2wc4 n THR 320 N -0.02 0.00 0.42 2.17 -2.24 -0.78 -4.90 114.28 108.94 2wc4 n THR 320 Ca -0.11 -0.74 0.07 0.00 -2.27 0.00 0.00 64.05 61.00 2wc4 n THR 320 Cb 0.59 -1.49 0.30 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.35 1.57 0.78 6.98 0.00 0.32 -1.15 120.51 125.66 2wc4 n ALA 321 Ca -0.13 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.41 2wc4 n ALA 321 Cb 0.37 -1.23 0.24 0.00 0.00 0.00 0.00 19.45 18.83 2wc4 n ALA 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wc4 n MET 322 N -1.61 0.15 -0.81 0.00 2.81 -1.26 -4.93 117.12 111.47 2wc4 n MET 322 Ca 0.03 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2wc4 n MET 322 Cb 0.15 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 1.42 0.63 3.72 3.03 0.00 -0.30 -5.04 105.19 108.64 2wc4 n GLY 323 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.20 3.65 0.26 1.61 0.51 -1.26 -4.77 118.94 116.74 2wc4 s TRP 324 Ca 0.00 1.64 -0.30 0.00 -2.12 0.00 0.00 56.10 55.32 2wc4 s TRP 324 Cb 0.00 -3.17 -0.10 0.00 -0.81 0.00 0.00 33.47 29.39 2wc4 s TRP 324 CO 0.00 -0.23 1.38 -1.21 -0.51 0.00 0.00 176.95 176.38 2wc4 s GLU 325 N 0.74 4.31 -0.41 4.98 2.02 -1.26 -1.86 118.70 127.22 2wc4 s GLU 325 Ca 0.52 2.24 -0.20 0.00 0.02 0.00 0.00 54.97 57.55 2wc4 s GLU 325 Cb -0.23 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 30.90 2wc4 s GLU 325 CO 0.29 -0.33 0.61 0.42 0.02 0.00 0.00 175.26 176.26 2wc4 s ILE 326 N -0.26 4.88 -0.44 -1.63 1.01 0.49 -3.49 121.20 121.75 2wc4 s ILE 326 Ca 0.56 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.42 2wc4 s ILE 326 Cb -0.40 -4.14 0.16 0.00 0.01 0.00 0.00 42.46 38.09 2wc4 s ILE 326 CO 0.45 -0.49 0.32 -0.69 0.00 0.00 0.00 174.94 174.53 2wc4 s VAL 327 N 2.69 0.74 0.40 2.92 1.01 -1.26 -4.69 120.40 122.21 2wc4 s VAL 327 Ca 0.21 -2.65 0.09 0.00 0.00 0.00 0.00 61.98 59.63 2wc4 s VAL 327 Cb -0.15 -1.51 0.21 0.00 0.00 0.00 0.00 36.38 34.93 2wc4 s VAL 327 CO 0.17 -1.12 1.98 -0.65 0.00 0.00 0.00 175.10 175.48 2wc4 h PRO 328 N 6.01 0.35 0.00 2.72 0.11 -1.94 -0.86 132.00 138.40 2wc4 h PRO 328 Ca 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2wc4 h PRO 328 Cb 0.90 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2wc4 h PRO 328 CO 0.40 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.60 2wc4 h GLU 329 N 0.35 0.00 -0.25 1.05 9.09 -1.94 -1.30 114.58 121.58 2wc4 h GLU 329 Ca 0.08 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.53 2wc4 h GLU 329 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 2wc4 h GLU 329 CO 0.00 0.00 0.17 0.78 0.05 0.00 0.00 179.01 180.01 2wc4 h GLY 330 N 1.35 0.23 1.97 1.06 0.00 -1.55 -0.47 103.07 105.67 2wc4 h GLY 330 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 2wc4 h GLY 330 CO 0.00 0.07 -0.72 1.19 0.00 0.00 0.00 176.54 177.08 2wc4 h ILE 331 N 0.21 1.51 -0.08 2.60 2.10 -1.41 -0.96 117.51 121.47 2wc4 h ILE 331 Ca 0.11 -2.45 -0.02 0.00 1.08 0.00 0.00 64.86 63.58 2wc4 h ILE 331 Cb 0.17 2.32 -0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2wc4 h ILE 331 CO -0.02 0.70 -0.04 0.22 -1.08 0.00 0.00 178.15 177.93 2wc4 h TYR 332 N 0.02 0.20 -0.15 2.19 5.03 -1.50 -2.29 116.97 120.45 2wc4 h TYR 332 Ca -0.01 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2wc4 h TYR 332 Cb 1.28 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.50 2wc4 h TYR 332 CO 0.00 0.54 0.10 2.35 -1.32 0.00 0.00 178.16 179.83 2wc4 h TRP 333 N -0.20 0.19 -0.43 -3.82 7.01 -0.98 0.33 115.95 118.06 2wc4 h TRP 333 Ca 0.02 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2wc4 h TRP 333 Cb 0.48 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 2wc4 h TRP 333 CO 0.07 0.12 0.10 0.97 -2.79 0.00 0.00 178.44 176.91 2wc4 h ILE 334 N 0.21 1.19 -0.27 2.65 6.09 -1.22 0.13 117.51 126.29 2wc4 h ILE 334 Ca 0.06 -0.70 -0.15 0.00 -1.37 0.00 0.00 64.86 62.70 2wc4 h ILE 334 Cb -0.02 0.76 -0.00 0.00 0.47 0.00 0.00 36.82 38.03 2wc4 h ILE 334 CO -0.01 0.25 -0.42 -0.07 -3.07 0.00 0.00 178.15 174.83 2wc4 h LEU 335 N 0.63 0.84 -0.41 2.19 3.38 -1.13 -1.46 115.31 119.34 2wc4 h LEU 335 Ca 0.14 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2wc4 h LEU 335 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2wc4 h LEU 335 CO -0.00 1.19 0.11 0.11 0.09 0.00 0.00 178.44 179.94 2wc4 h LYS 336 N 0.51 0.65 -0.26 1.13 1.79 -0.62 -2.97 116.57 116.80 2wc4 h LYS 336 Ca 0.02 -0.15 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 2wc4 h LYS 336 Cb 1.02 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2wc4 h LYS 336 CO 0.10 0.66 -0.30 -0.22 -1.08 0.00 0.00 179.45 178.61 2wc4 h LYS 337 N 0.53 0.52 -0.48 3.15 3.64 -0.73 -0.05 116.57 123.15 2wc4 h LYS 337 Ca 0.13 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2wc4 h LYS 337 Cb 0.30 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2wc4 h LYS 337 CO -0.00 0.77 -0.15 -0.24 -2.27 0.00 0.00 179.45 177.56 2wc4 h VAL 338 N 0.45 1.27 -0.04 2.00 3.04 -1.23 -0.34 116.25 121.40 2wc4 h VAL 338 Ca 0.06 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 2wc4 h VAL 338 Cb 0.75 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2wc4 h VAL 338 CO 0.06 0.44 0.02 0.50 -1.01 0.00 0.00 177.57 177.59 2wc4 h LYS 339 N 0.82 0.05 -0.69 4.17 3.64 -1.35 -0.00 116.57 123.20 2wc4 h LYS 339 Ca 0.12 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2wc4 h LYS 339 Cb 0.69 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 2wc4 h LYS 339 CO 0.05 0.04 0.36 0.93 -2.27 0.00 0.00 179.45 178.57 2wc4 h GLU 340 N 0.04 0.96 0.16 1.90 5.08 -0.65 -1.97 114.58 120.11 2wc4 h GLU 340 Ca 0.01 -0.11 -0.36 0.00 -1.00 0.00 0.00 59.36 57.90 2wc4 h GLU 340 Cb 0.01 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2wc4 h GLU 340 CO -0.00 0.72 -1.86 0.93 -1.00 0.00 0.00 179.01 177.80 2wc4 h GLU 341 N 0.97 0.34 0.00 2.33 5.08 -1.01 -3.42 114.58 118.87 2wc4 h GLU 341 Ca 0.24 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2wc4 h GLU 341 Cb 0.05 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wc4 h GLU 341 CO -0.04 1.28 -0.19 0.66 -1.00 0.00 0.00 179.01 179.72 2wc4 n TYR 342 N -3.55 0.00 -3.98 4.33 4.01 -0.05 -5.05 117.16 112.87 2wc4 n TYR 342 Ca -0.28 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.17 2wc4 n TYR 342 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.08 2wc4 n TYR 342 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wc4 n ASN 343 N -0.79 -1.25 -4.76 7.72 3.02 -0.74 -4.91 115.26 113.54 2wc4 n ASN 343 Ca 0.00 -1.08 -0.36 0.00 -0.03 0.00 0.00 54.58 53.11 2wc4 n ASN 343 Cb 0.00 -2.73 0.01 0.00 -0.61 0.00 0.00 39.78 36.45 2wc4 n ASN 343 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wc4 s PRO 344 N -6.68 3.29 0.21 3.52 0.04 -1.26 -4.93 135.00 129.18 2wc4 s PRO 344 Ca 0.12 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 2wc4 s PRO 344 Cb -0.05 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.56 2wc4 s PRO 344 CO 0.91 -0.94 1.67 -1.00 0.04 0.00 0.00 177.00 177.68 2wc4 h PRO 345 N 1.29 0.94 -4.43 0.56 0.13 -1.90 -3.43 132.00 125.15 2wc4 h PRO 345 Ca -0.50 -0.31 -0.26 0.00 -0.87 0.00 0.00 66.00 64.06 2wc4 h PRO 345 Cb 1.27 -0.08 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2wc4 h PRO 345 CO 0.57 0.96 -0.73 -1.21 -0.23 0.00 0.00 178.00 177.36 2wc4 s GLU 346 N -4.91 0.47 0.03 0.86 2.02 -1.24 -4.81 118.70 111.12 2wc4 s GLU 346 Ca -0.11 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.28 2wc4 s GLU 346 Cb 0.14 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.11 2wc4 s GLU 346 CO 0.84 0.04 -0.13 0.08 0.02 0.00 0.00 175.26 176.11 2wc4 s VAL 347 N -1.21 1.05 0.08 2.63 1.01 -0.53 -1.50 120.40 121.93 2wc4 s VAL 347 Ca -0.09 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.06 2wc4 s VAL 347 Cb -0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2wc4 s VAL 347 CO 0.00 0.04 -0.20 -0.31 0.00 0.00 0.00 175.10 174.63 2wc4 s TYR 348 N -0.76 1.69 -0.48 5.22 1.51 -0.35 -0.06 117.35 124.12 2wc4 s TYR 348 Ca 0.02 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.42 2wc4 s TYR 348 Cb -0.07 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2wc4 s TYR 348 CO 0.01 0.15 0.90 0.42 -1.11 0.00 0.00 175.55 175.92 2wc4 s ILE 349 N -1.08 4.48 -0.80 2.71 -1.09 -0.78 -0.75 121.20 123.89 2wc4 s ILE 349 Ca 0.05 0.55 0.24 0.00 -2.23 0.00 0.00 60.65 59.26 2wc4 s ILE 349 Cb -0.10 -4.44 -0.06 0.00 -1.58 0.00 0.00 42.46 36.28 2wc4 s ILE 349 CO 0.03 -0.89 1.19 0.35 -1.23 0.00 0.00 174.94 174.40 2wc4 n THR 350 N 6.30 0.11 -3.69 2.92 -2.24 -0.35 -0.59 114.28 116.75 2wc4 n THR 350 Ca 0.04 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2wc4 n THR 350 Cb 0.48 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.56 -0.25 -0.78 2.02 -1.24 -4.70 118.70 111.21 2wc4 s GLU 351 Ca 0.07 0.80 -0.21 0.00 0.02 0.00 0.00 54.97 55.65 2wc4 s GLU 351 Cb 0.16 0.19 0.07 0.00 0.10 0.00 0.00 34.13 34.64 2wc4 s GLU 351 CO 0.76 -0.10 0.65 1.21 0.02 0.00 0.00 175.26 177.80 2wc4 s ASN 352 N 0.75 -0.72 0.00 -0.19 3.04 -1.03 -1.82 114.94 114.97 2wc4 s ASN 352 Ca -0.04 1.34 0.00 0.00 0.04 0.00 0.00 52.86 54.20 2wc4 s ASN 352 Cb -0.05 1.33 0.00 0.00 -1.54 0.00 0.00 41.25 40.99 2wc4 s ASN 352 CO -0.06 -0.23 0.00 0.61 -3.04 0.00 0.00 177.10 174.39 2wc4 n GLY 353 N 3.01 -1.59 3.41 1.21 0.00 -1.26 -0.57 105.19 109.40 2wc4 n GLY 353 Ca -0.15 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.65 -1.38 -0.16 4.61 0.00 -1.26 -4.89 121.76 117.04 2wc4 s ALA 354 Ca 0.00 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2wc4 s ALA 354 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2wc4 s ALA 354 CO 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 175.76 175.38 2wc4 s ALA 355 N -1.93 3.41 0.07 0.00 0.00 -1.26 -4.41 121.76 117.65 2wc4 s ALA 355 Ca -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2wc4 s ALA 355 Cb -0.01 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2wc4 s ALA 355 CO 0.02 0.29 -0.05 -0.06 0.00 0.00 0.00 175.76 175.96 2wc4 s PHE 356 N 0.04 0.72 -1.08 0.00 0.08 -1.23 -0.52 117.98 116.00 2wc4 s PHE 356 Ca 0.05 -0.89 -0.22 0.00 0.12 0.00 0.00 56.93 55.99 2wc4 s PHE 356 Cb -0.12 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 2wc4 s PHE 356 CO 0.01 -0.21 1.65 0.34 -0.10 0.00 0.00 175.22 176.90 2wc4 s ASP 357 N -2.76 6.21 0.23 1.36 2.15 -1.26 -4.59 116.67 118.02 2wc4 s ASP 357 Ca 0.06 -1.56 -0.30 0.00 0.43 0.00 0.00 52.55 51.19 2wc4 s ASP 357 Cb 0.04 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 2wc4 s ASP 357 CO -0.06 -1.78 1.10 -1.81 -0.17 0.00 0.00 175.17 172.45 2wc4 s ASP 358 N 5.48 7.27 -0.06 -0.34 1.01 -1.26 -5.05 116.67 123.72 2wc4 s ASP 358 Ca 0.54 2.19 0.04 0.00 0.71 0.00 0.00 52.55 56.02 2wc4 s ASP 358 Cb -0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2wc4 s ASP 358 CO -0.02 -0.17 -0.17 -0.69 0.21 0.00 0.00 175.17 174.33 2wc4 s VAL 359 N -0.74 1.44 -0.31 -1.27 1.01 -1.26 -5.10 120.40 114.17 2wc4 s VAL 359 Ca 0.47 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 2wc4 s VAL 359 Cb -0.31 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2wc4 s VAL 359 CO 0.38 0.42 0.89 -0.69 0.00 0.00 0.00 175.10 176.10 2wc4 s VAL 360 N 0.25 4.70 0.85 2.92 1.01 -1.26 -4.25 120.40 124.62 2wc4 s VAL 360 Ca -0.09 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 63.17 2wc4 s VAL 360 Cb -0.14 -4.24 0.15 0.00 0.00 0.00 0.00 36.38 32.16 2wc4 s VAL 360 CO 0.04 -0.32 1.18 -0.94 0.00 0.00 0.00 175.10 175.05 2wc4 s SER 361 N 1.62 3.79 0.62 3.32 1.04 0.05 -4.90 113.70 119.23 2wc4 s SER 361 Ca 0.37 0.16 0.36 0.00 0.48 0.00 0.00 55.95 57.32 2wc4 s SER 361 Cb -0.14 -0.42 2.04 0.00 0.10 0.00 0.00 66.02 67.61 2wc4 s SER 361 CO 0.13 -2.28 2.29 -0.33 0.98 0.00 0.00 173.24 174.03 2wc4 h GLU 362 N -1.15 0.00 0.00 4.02 4.39 -1.97 0.61 114.58 120.48 2wc4 h GLU 362 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2wc4 h GLU 362 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2wc4 h GLU 362 CO 0.44 0.01 0.00 -0.40 -1.16 0.00 0.00 179.01 177.90 2wc4 n ASP 363 N -3.51 0.00 -0.72 1.42 5.68 -1.26 -4.89 116.55 113.28 2wc4 n ASP 363 Ca -0.03 -0.96 -0.07 0.00 -0.50 0.00 0.00 54.79 53.23 2wc4 n ASP 363 Cb 0.09 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.91 0.50 3.54 6.12 0.00 0.21 -5.03 105.19 111.43 2wc4 n GLY 364 Ca 0.23 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.53 1.80 -0.26 1.61 1.81 -1.25 -4.91 118.95 114.23 2wc4 s ARG 365 Ca 0.00 -1.95 0.02 0.00 -1.72 0.00 0.00 55.73 52.08 2wc4 s ARG 365 Cb 0.00 -1.56 0.06 0.00 -0.45 0.00 0.00 34.95 33.00 2wc4 s ARG 365 CO 0.00 0.06 -0.08 0.14 -0.68 0.00 0.00 175.30 174.75 2wc4 s VAL 366 N -2.73 1.97 -1.25 3.52 -7.23 -1.26 -0.77 120.40 112.65 2wc4 s VAL 366 Ca 0.33 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 2wc4 s VAL 366 Cb 0.05 -2.16 0.18 0.00 0.56 0.00 0.00 36.38 35.01 2wc4 s VAL 366 CO 0.16 -0.11 1.98 1.41 -0.31 0.00 0.00 175.10 178.24 2wc4 n HIS 367 N 4.49 2.70 -2.00 2.82 -0.00 -1.26 -1.53 115.22 120.45 2wc4 n HIS 367 Ca -0.12 -2.75 -0.41 0.00 -0.00 0.00 0.00 57.72 54.44 2wc4 n HIS 367 Cb 0.43 -1.76 -0.00 0.00 -0.00 0.00 0.00 29.99 28.66 2wc4 n HIS 367 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2wc4 n ASP 368 N 2.52 6.09 -0.04 0.41 5.75 -1.26 -4.65 116.55 125.36 2wc4 n ASP 368 Ca 0.46 -3.00 0.05 0.00 -0.01 0.00 0.00 54.79 52.29 2wc4 n ASP 368 Cb 0.31 -1.49 0.41 0.00 -1.03 0.00 0.00 41.12 39.32 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 5.40 0.57 -0.76 0.11 5.75 -1.98 -1.76 115.11 122.44 2wc4 h GLN 369 Ca 0.57 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 59.08 2wc4 h GLN 369 Cb 0.50 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 2wc4 h GLN 369 CO 1.66 0.38 0.47 -2.95 -2.65 0.00 0.00 178.83 175.75 2wc4 h ASN 370 N 0.59 0.76 -0.04 -0.69 7.08 -2.00 0.11 115.58 121.39 2wc4 h ASN 370 Ca 0.19 0.01 -0.18 0.00 -3.08 0.00 0.00 56.30 53.24 2wc4 h ASN 370 Cb 0.04 -0.16 -0.00 0.00 -2.08 0.00 0.00 38.32 36.12 2wc4 h ASN 370 CO -0.05 0.51 -0.60 -0.09 -2.08 0.00 0.00 177.43 175.12 2wc4 h ARG 371 N 0.90 0.65 -0.28 4.14 2.43 -1.73 -1.90 114.38 118.58 2wc4 h ARG 371 Ca 0.32 -0.44 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2wc4 h ARG 371 Cb 0.08 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2wc4 h ARG 371 CO -0.14 1.06 0.06 0.82 -1.51 0.00 0.00 179.97 180.26 2wc4 h ILE 372 N 0.48 0.88 -0.70 1.20 2.04 -0.96 -0.62 117.51 119.83 2wc4 h ILE 372 Ca -0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2wc4 h ILE 372 Cb 1.18 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2wc4 h ILE 372 CO 0.12 0.03 0.41 0.44 0.00 0.00 0.00 178.15 179.15 2wc4 h ASP 373 N 0.17 0.85 0.34 1.72 3.32 -0.65 0.11 116.42 122.27 2wc4 h ASP 373 Ca 0.13 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2wc4 h ASP 373 Cb 0.12 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2wc4 h ASP 373 CO -0.16 0.67 -0.16 0.22 -1.72 0.00 0.00 179.24 178.08 2wc4 h TYR 374 N 0.97 -0.42 -0.72 4.55 5.03 -1.00 -2.37 116.97 123.02 2wc4 h TYR 374 Ca 0.25 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.53 2wc4 h TYR 374 Cb -0.01 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 2wc4 h TYR 374 CO 0.00 -0.14 0.36 -0.07 -1.32 0.00 0.00 178.16 177.00 2wc4 h LEU 375 N -0.68 0.91 0.02 2.82 3.38 -0.75 -2.50 115.31 118.52 2wc4 h LEU 375 Ca -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wc4 h LEU 375 Cb 0.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2wc4 h LEU 375 CO 0.08 0.76 -0.01 0.50 0.09 0.00 0.00 178.44 179.85 2wc4 h LYS 376 N 1.01 -0.03 -0.70 1.13 3.64 -0.75 -0.02 116.57 120.85 2wc4 h LYS 376 Ca 0.25 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2wc4 h LYS 376 Cb 0.08 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2wc4 h LYS 376 CO -0.04 0.12 0.39 0.00 -2.27 0.00 0.00 179.45 177.66 2wc4 h ALA 377 N 0.79 0.89 -0.34 5.00 0.00 -1.24 -1.41 119.26 122.95 2wc4 h ALA 377 Ca -0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2wc4 h ALA 377 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wc4 h ALA 377 CO 0.01 0.39 -0.39 0.45 0.00 0.00 0.00 179.25 179.71 2wc4 h HIS 378 N 0.95 0.97 -0.47 0.00 3.86 -1.30 -2.53 115.15 116.63 2wc4 h HIS 378 Ca 0.25 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 2wc4 h HIS 378 Cb 0.02 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 2wc4 h HIS 378 CO -0.01 1.07 -0.01 0.82 0.86 0.00 0.00 177.93 180.66 2wc4 h ILE 379 N 0.66 1.24 -0.78 2.45 2.04 -0.60 -0.73 117.51 121.79 2wc4 h ILE 379 Ca 0.05 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 2wc4 h ILE 379 Cb 0.96 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2wc4 h ILE 379 CO 0.09 0.36 0.36 1.23 0.00 0.00 0.00 178.15 180.18 2wc4 h GLY 380 N 0.97 1.22 1.66 5.37 0.00 -1.23 -0.23 103.07 110.84 2wc4 h GLY 380 Ca 0.14 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 2wc4 h GLY 380 CO 0.02 0.59 -0.59 1.46 0.00 0.00 0.00 176.54 178.02 2wc4 h GLN 381 N 1.12 0.36 -0.56 4.80 1.08 -1.00 -1.63 115.11 119.28 2wc4 h GLN 381 Ca 0.27 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 2wc4 h GLN 381 Cb 0.15 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2wc4 h GLN 381 CO -0.03 0.84 -0.08 0.00 -0.95 0.00 0.00 178.83 178.61 2wc4 h ALA 382 N 1.10 0.81 -0.94 3.87 0.00 -0.86 -1.91 119.26 121.34 2wc4 h ALA 382 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wc4 h ALA 382 Cb 1.11 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2wc4 h ALA 382 CO 0.10 0.67 0.60 2.35 0.00 0.00 0.00 179.25 182.96 2wc4 h TRP 383 N 0.92 1.20 -0.74 0.00 7.01 -0.71 -1.91 115.95 121.72 2wc4 h TRP 383 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 2wc4 h TRP 383 Cb 0.64 -0.40 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 2wc4 h TRP 383 CO 0.04 0.78 0.46 -0.22 -2.79 0.00 0.00 178.44 176.71 2wc4 h LYS 384 N 1.28 1.00 -1.00 2.65 3.64 -0.97 -1.26 116.57 121.90 2wc4 h LYS 384 Ca 0.34 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2wc4 h LYS 384 Cb -0.11 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.44 2wc4 h LYS 384 CO -0.07 0.70 0.65 0.00 -2.27 0.00 0.00 179.45 178.46 2wc4 h ALA 385 N 1.24 1.39 -0.63 5.00 0.00 -0.68 -1.65 119.26 123.93 2wc4 h ALA 385 Ca 0.27 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2wc4 h ALA 385 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2wc4 h ALA 385 CO -0.05 0.48 0.04 0.82 0.00 0.00 0.00 179.25 180.53 2wc4 h ILE 386 N 1.20 1.27 -0.20 0.00 2.04 -0.68 -1.99 117.51 119.15 2wc4 h ILE 386 Ca 0.42 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2wc4 h ILE 386 Cb 0.12 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2wc4 h ILE 386 CO -0.16 0.41 0.04 1.56 0.00 0.00 0.00 178.15 180.00 2wc4 h GLN 387 N 0.99 0.27 -0.59 2.37 1.08 -0.35 -0.79 115.11 118.10 2wc4 h GLN 387 Ca 0.18 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2wc4 h GLN 387 Cb 0.52 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2wc4 h GLN 387 CO 0.02 0.27 0.00 0.39 -0.95 0.00 0.00 178.83 178.56 2wc4 n GLU 388 N -4.41 2.52 -0.31 1.46 1.02 -0.82 -4.92 120.64 115.17 2wc4 n GLU 388 Ca -0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 2wc4 n GLU 388 Cb 0.15 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.75 0.84 3.71 0.62 0.00 -0.30 -5.06 105.19 105.75 2wc4 n GLY 389 Ca 0.14 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2wc4 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc4 s VAL 390 N -2.00 3.73 -0.70 1.61 1.01 -0.79 -4.92 120.40 118.35 2wc4 s VAL 390 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 2wc4 s VAL 390 Cb 0.00 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 2wc4 s VAL 390 CO 0.00 0.08 3.09 -0.81 0.00 0.00 0.00 175.10 177.46 2wc4 n PRO 391 N 4.16 2.55 -2.39 2.72 -0.04 -1.26 -4.44 135.00 136.30 2wc4 n PRO 391 Ca 0.10 -1.44 -0.43 0.00 -0.04 0.00 0.00 63.50 61.69 2wc4 n PRO 391 Cb 0.45 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 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 0.07 3.94 0.00 1.53 2.96 -1.26 -1.45 118.68 124.47 2wc4 s LEU 392 Ca 0.62 1.34 0.22 0.00 -0.22 0.00 0.00 54.13 56.09 2wc4 s LEU 392 Cb 0.23 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 43.13 2wc4 s LEU 392 CO -0.03 -1.04 0.65 0.29 -1.32 0.00 0.00 176.35 174.90 2wc4 n LYS 393 N 7.23 0.51 -3.67 1.98 4.76 0.92 -4.95 118.16 124.94 2wc4 n LYS 393 Ca 0.15 -0.12 -0.01 0.00 -2.87 0.00 0.00 58.31 55.46 2wc4 n LYS 393 Cb 0.46 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 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 -4.18 -0.33 -0.09 0.72 0.00 -1.26 -1.73 107.32 100.45 2wc4 s GLY 394 Ca -0.04 0.49 -0.04 0.00 0.00 0.00 0.00 44.72 45.13 2wc4 s GLY 394 CO 0.88 0.09 0.21 -0.47 0.00 0.00 0.00 173.10 173.82 2wc4 s TYR 395 N -2.82 -0.28 -0.15 1.90 6.14 -0.26 -1.87 117.35 120.01 2wc4 s TYR 395 Ca 0.13 0.69 0.01 0.00 0.64 0.00 0.00 57.07 58.54 2wc4 s TYR 395 Cb 0.02 0.00 0.02 0.00 0.42 0.00 0.00 41.96 42.42 2wc4 s TYR 395 CO -0.01 -0.21 -0.19 -0.06 0.64 0.00 0.00 175.55 175.72 2wc4 s PHE 396 N 1.23 2.51 0.10 4.97 0.40 0.25 -0.05 117.98 127.39 2wc4 s PHE 396 Ca -0.09 -1.38 -0.30 0.00 -0.60 0.00 0.00 56.93 54.55 2wc4 s PHE 396 Cb -0.11 -1.76 -0.06 0.00 0.51 0.00 0.00 43.02 41.60 2wc4 s PHE 396 CO -0.08 -0.68 1.19 0.08 0.70 0.00 0.00 175.22 176.43 2wc4 s VAL 397 N 1.17 3.92 -0.34 -0.44 1.01 -0.54 -2.46 120.40 122.71 2wc4 s VAL 397 Ca 0.00 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 2wc4 s VAL 397 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2wc4 s VAL 397 CO -0.08 0.15 0.32 0.86 0.00 0.00 0.00 175.10 176.35 2wc4 s TRP 398 N 0.68 3.22 0.17 5.22 -0.11 0.26 -1.03 118.94 127.35 2wc4 s TRP 398 Ca 0.56 -0.12 0.01 0.00 1.22 0.00 0.00 56.10 57.78 2wc4 s TRP 398 Cb -0.30 -2.60 -0.04 0.00 -1.50 0.00 0.00 33.47 29.03 2wc4 s TRP 398 CO 0.31 -0.41 0.02 0.45 -4.62 0.00 0.00 176.95 172.70 2wc4 s SER 399 N 1.73 1.01 0.18 5.86 0.15 -0.86 -4.05 113.70 117.71 2wc4 s SER 399 Ca 0.09 -1.19 -0.13 0.00 0.70 0.00 0.00 55.95 55.42 2wc4 s SER 399 Cb -0.17 0.16 0.15 0.00 -1.71 0.00 0.00 66.02 64.45 2wc4 s SER 399 CO 0.11 -0.61 1.75 0.25 1.20 0.00 0.00 173.24 175.95 2wc4 h LEU 400 N 2.72 0.20 -8.86 3.45 5.85 -1.65 -0.81 115.31 116.21 2wc4 h LEU 400 Ca -0.36 0.05 -0.69 0.00 0.84 0.00 0.00 57.88 57.72 2wc4 h LEU 400 Cb 1.20 0.03 -0.24 0.00 0.37 0.00 0.00 40.66 42.03 2wc4 h LEU 400 CO 0.62 0.14 -0.86 -0.76 -0.34 0.00 0.00 178.44 177.24 2wc4 s LEU 401 N -10.34 2.33 0.43 2.25 1.43 -1.26 -1.52 118.68 112.00 2wc4 s LEU 401 Ca -0.13 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 2wc4 s LEU 401 Cb 0.14 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.93 2wc4 s LEU 401 CO 0.73 0.23 1.18 0.47 0.23 0.00 0.00 176.35 179.18 2wc4 n ASP 402 N 1.40 2.06 -1.37 2.29 8.00 -0.74 -3.94 116.55 124.25 2wc4 n ASP 402 Ca -0.17 1.07 -0.02 0.00 0.71 0.00 0.00 54.79 56.38 2wc4 n ASP 402 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 0.22 -0.40 -4.58 -2.24 2.04 -1.26 -4.78 115.26 104.25 2wc4 n ASN 403 Ca 0.08 -1.34 -0.42 0.00 -0.44 0.00 0.00 54.58 52.46 2wc4 n ASN 403 Cb 0.40 0.68 -0.03 0.00 -2.53 0.00 0.00 39.78 38.31 2wc4 n ASN 403 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2wc4 s PHE 404 N -6.67 2.19 -1.13 -2.53 5.36 -0.78 -4.54 117.98 109.87 2wc4 s PHE 404 Ca 0.04 0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 2wc4 s PHE 404 Cb -0.01 -4.30 0.08 0.00 -0.34 0.00 0.00 43.02 38.45 2wc4 s PHE 404 CO 0.03 -2.15 2.55 -1.91 -1.46 0.00 0.00 175.22 172.29 2wc4 n GLU 405 N 8.49 4.00 0.00 10.12 4.07 0.48 -4.64 120.64 143.16 2wc4 n GLU 405 Ca 0.16 -3.05 0.00 0.00 -0.06 0.00 0.00 57.16 54.21 2wc4 n GLU 405 Cb 0.49 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 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 1.73 0.00 0.41 4.31 7.02 -1.26 -0.52 117.44 129.13 2wc4 n TRP 406 Ca 0.61 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 57.19 2wc4 n TRP 406 Cb 0.33 0.00 0.45 0.00 -2.42 0.00 0.00 31.31 29.67 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 10.79 1.65 0.82 6.99 0.00 -1.26 -0.46 120.51 139.03 2wc4 n ALA 407 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2wc4 n ALA 407 Cb 0.00 -1.35 0.43 0.00 0.00 0.00 0.00 19.45 18.52 2wc4 n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wc4 n GLU 408 N -2.08 0.13 0.00 0.00 -0.58 0.32 -1.14 120.64 117.28 2wc4 n GLU 408 Ca 0.02 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2wc4 n GLU 408 Cb 0.21 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.42 1.93 0.15 0.62 0.00 0.39 -2.96 105.19 106.73 2wc4 n GLY 409 Ca 0.06 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 7.22 0.03 0.33 1.61 4.01 -1.26 -0.39 117.16 128.70 2wc4 n TYR 410 Ca 0.00 -0.01 0.15 0.00 -0.16 0.00 0.00 57.90 57.88 2wc4 n TYR 410 Cb 0.00 0.00 0.63 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.69 0.00 -3.18 7.72 4.64 -1.86 -3.41 113.55 118.15 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 0.15 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.89 2wc4 h SER 411 CO 0.00 0.00 -0.85 -0.54 -0.87 0.00 0.00 176.83 174.57 2wc4 s LYS 412 N -3.54 2.87 -0.29 4.77 -0.14 -1.26 -5.07 119.74 117.08 2wc4 s LYS 412 Ca 0.02 -0.90 -0.09 0.00 -1.36 0.00 0.00 55.97 53.64 2wc4 s LYS 412 Cb 0.09 -2.61 -0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2wc4 s LYS 412 CO 0.45 -0.26 0.12 1.03 -0.76 0.00 0.00 175.35 175.93 2wc4 s ARG 413 N 1.27 3.37 0.00 1.68 0.52 -1.26 -4.60 118.95 119.92 2wc4 s ARG 413 Ca 0.03 -0.69 0.15 0.00 -0.52 0.00 0.00 55.73 54.70 2wc4 s ARG 413 Cb -0.14 -3.48 0.05 0.00 0.52 0.00 0.00 34.95 31.89 2wc4 s ARG 413 CO -0.12 -0.37 0.88 1.19 0.02 0.00 0.00 175.30 176.90 2wc4 n PHE 414 N 4.95 0.00 -1.49 -0.53 3.01 -1.26 -3.56 117.46 118.58 2wc4 n PHE 414 Ca -0.14 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.00 2wc4 n PHE 414 Cb 0.49 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.03 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 -1.59 1.88 0.00 1.37 0.00 -1.25 -2.04 107.32 105.69 2wc4 s GLY 415 Ca 0.15 0.37 0.25 0.00 0.00 0.00 0.00 44.72 45.49 2wc4 s GLY 415 CO 0.30 0.72 1.42 0.29 0.00 0.00 0.00 173.10 175.83 2wc4 n ILE 416 N -3.02 0.00 -4.08 0.90 -5.35 -0.31 -4.77 119.36 102.73 2wc4 n ILE 416 Ca 0.09 -0.39 -0.28 0.00 -0.27 0.00 0.00 62.75 61.90 2wc4 n ILE 416 Cb 0.53 1.12 -0.17 0.00 -1.74 0.00 0.00 39.64 39.38 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 -2.05 1.34 0.32 7.28 1.01 -0.57 -1.17 120.40 126.56 2wc4 s VAL 417 Ca 0.30 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2wc4 s VAL 417 Cb 0.20 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 2wc4 s VAL 417 CO 0.34 0.42 1.04 -0.47 0.00 0.00 0.00 175.10 176.43 2wc4 s TYR 418 N 1.44 3.56 -0.17 5.22 6.14 0.33 -1.79 117.35 132.08 2wc4 s TYR 418 Ca 0.02 1.73 0.01 0.00 0.64 0.00 0.00 57.07 59.47 2wc4 s TYR 418 Cb -0.13 -3.15 0.02 0.00 0.42 0.00 0.00 41.96 39.12 2wc4 s TYR 418 CO -0.08 -0.33 -0.18 0.08 0.64 0.00 0.00 175.55 175.68 2wc4 s VAL 419 N -1.37 1.92 -0.58 3.14 1.01 -1.26 -0.99 120.40 122.26 2wc4 s VAL 419 Ca 0.49 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 2wc4 s VAL 419 Cb -0.26 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2wc4 s VAL 419 CO 0.33 0.52 1.03 -0.62 0.00 0.00 0.00 175.10 176.36 2wc4 s ASP 420 N 1.31 6.34 0.52 3.32 -1.08 -0.68 -4.91 116.67 121.49 2wc4 s ASP 420 Ca 0.04 -0.31 0.26 0.00 -0.52 0.00 0.00 52.55 52.02 2wc4 s ASP 420 Cb -0.13 -2.47 1.43 0.00 -1.46 0.00 0.00 42.92 40.29 2wc4 s ASP 420 CO -0.11 -1.35 2.08 1.88 0.52 0.00 0.00 175.17 178.18 2wc4 h TYR 421 N 9.44 0.00 -0.45 -5.34 0.05 -1.94 0.99 116.97 119.73 2wc4 h TYR 421 Ca -0.26 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.46 2wc4 h TYR 421 Cb 1.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 2wc4 h TYR 421 CO 0.96 0.12 0.06 0.66 -1.05 0.00 0.00 178.16 178.91 2wc4 h SER 422 N 0.00 0.73 0.00 3.88 4.64 -1.98 -3.27 113.55 117.55 2wc4 h SER 422 Ca -0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2wc4 h SER 422 Cb 0.31 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2wc4 h SER 422 CO 0.02 0.82 -0.73 0.35 -0.87 0.00 0.00 176.83 176.41 2wc4 n THR 423 N -4.45 0.00 -1.06 2.95 -2.24 -1.05 -4.97 114.28 103.46 2wc4 n THR 423 Ca 0.00 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 2wc4 n THR 423 Cb 0.26 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.38 -1.51 -1.78 -0.78 1.13 0.34 -4.98 117.38 108.42 2wc4 n GLN 424 Ca 0.02 0.48 -0.41 0.00 -1.94 0.00 0.00 57.00 55.15 2wc4 n GLN 424 Cb 0.23 -4.65 -0.01 0.00 0.11 0.00 0.00 30.24 25.92 2wc4 n GLN 424 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wc4 s LYS 425 N -1.79 4.10 -0.11 -1.09 2.20 -1.19 -4.76 119.74 117.10 2wc4 s LYS 425 Ca 0.00 2.60 -0.10 0.00 -0.36 0.00 0.00 55.97 58.11 2wc4 s LYS 425 Cb 0.00 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.29 2wc4 s LYS 425 CO 0.00 -0.59 0.21 1.03 -0.36 0.00 0.00 175.35 175.65 2wc4 s ARG 426 N -1.57 3.77 -0.21 4.03 3.00 -1.26 -1.69 118.95 125.03 2wc4 s ARG 426 Ca 0.57 -0.00 -0.00 0.00 0.00 0.00 0.00 55.73 56.29 2wc4 s ARG 426 Cb -0.47 -3.27 0.06 0.00 0.00 0.00 0.00 34.95 31.26 2wc4 s ARG 426 CO 0.59 0.61 -0.04 0.42 0.00 0.00 0.00 175.30 176.88 2wc4 s ILE 427 N -0.60 1.23 0.13 1.52 1.01 -0.16 -4.98 121.20 119.34 2wc4 s ILE 427 Ca 0.16 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 2wc4 s ILE 427 Cb -0.13 -1.52 -0.10 0.00 0.01 0.00 0.00 42.46 40.73 2wc4 s ILE 427 CO 0.05 -0.07 1.64 -0.69 0.00 0.00 0.00 174.94 175.87 2wc4 s VAL 428 N 1.55 2.72 0.73 2.92 1.01 -1.26 -0.51 120.40 127.55 2wc4 s VAL 428 Ca -0.03 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2wc4 s VAL 428 Cb -0.18 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2wc4 s VAL 428 CO -0.07 0.02 1.12 -0.54 0.00 0.00 0.00 175.10 175.62 2wc4 s LYS 429 N 1.87 2.64 0.37 2.72 1.02 -0.31 -4.57 119.74 123.48 2wc4 s LYS 429 Ca 0.73 0.38 0.04 0.00 0.02 0.00 0.00 55.97 57.14 2wc4 s LYS 429 Cb -0.43 -2.00 0.72 0.00 -0.52 0.00 0.00 37.83 35.59 2wc4 s LYS 429 CO 0.32 -1.17 2.02 -0.44 -0.92 0.00 0.00 175.35 175.16 2wc4 h ASP 430 N -0.75 0.62 -0.15 2.83 5.19 -1.57 0.13 116.42 122.71 2wc4 h ASP 430 Ca -0.45 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2wc4 h ASP 430 Cb 1.27 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 2wc4 h ASP 430 CO 0.64 0.46 0.09 0.77 -3.12 0.00 0.00 179.24 178.08 2wc4 h SER 431 N 0.72 0.21 0.20 6.45 4.64 -1.82 0.11 113.55 124.05 2wc4 h SER 431 Ca 0.19 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2wc4 h SER 431 Cb -0.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2wc4 h SER 431 CO -0.04 0.18 -0.10 1.23 -0.87 0.00 0.00 176.83 177.23 2wc4 h GLY 432 N 0.31 -0.29 0.98 -0.77 0.00 -0.75 0.23 103.07 102.78 2wc4 h GLY 432 Ca 0.06 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.52 2wc4 h GLY 432 CO -0.01 -0.10 0.66 -0.97 0.00 0.00 0.00 176.54 176.12 2wc4 h TYR 433 N -0.49 1.25 -0.34 5.60 0.05 -1.10 -1.65 116.97 120.29 2wc4 h TYR 433 Ca -0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2wc4 h TYR 433 Cb 0.37 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2wc4 h TYR 433 CO -0.00 0.77 0.16 2.35 -1.05 0.00 0.00 178.16 180.39 2wc4 h TRP 434 N 1.33 0.49 -0.61 4.88 7.01 -0.69 -2.51 115.95 125.85 2wc4 h TRP 434 Ca 0.37 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.30 2wc4 h TRP 434 Cb -0.12 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 2wc4 h TRP 434 CO -0.00 0.43 0.18 -0.92 -2.79 0.00 0.00 178.44 175.34 2wc4 h TYR 435 N 0.41 0.97 -0.73 2.65 3.20 -0.70 -0.64 116.97 122.13 2wc4 h TYR 435 Ca 0.12 -0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.01 2wc4 h TYR 435 Cb 0.12 -0.28 -0.08 0.00 1.54 0.00 0.00 36.73 38.03 2wc4 h TYR 435 CO -0.02 0.78 0.35 1.03 -1.64 0.00 0.00 178.16 178.67 2wc4 h SER 436 N 0.91 0.43 -0.50 -2.11 0.87 -1.04 -0.40 113.55 111.71 2wc4 h SER 436 Ca 0.20 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 2wc4 h SER 436 Cb 0.28 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2wc4 h SER 436 CO -0.01 0.23 -0.03 0.78 -0.53 0.00 0.00 176.83 177.28 2wc4 h ASN 437 N 0.57 0.92 -0.77 6.23 -0.26 -0.96 -0.22 115.58 121.09 2wc4 h ASN 437 Ca 0.37 -0.26 0.03 0.00 -0.56 0.00 0.00 56.30 55.88 2wc4 h ASN 437 Cb 0.44 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.41 2wc4 h ASN 437 CO -0.30 0.99 0.49 0.58 -1.06 0.00 0.00 177.43 178.13 2wc4 h VAL 438 N 0.86 1.12 -0.22 2.81 2.07 0.30 -0.12 116.25 123.08 2wc4 h VAL 438 Ca 0.15 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2wc4 h VAL 438 Cb 0.54 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2wc4 h VAL 438 CO 0.03 0.17 -0.16 0.58 0.02 0.00 0.00 177.57 178.22 2wc4 h VAL 439 N 0.96 1.32 -0.72 2.57 2.07 -0.82 0.22 116.25 121.84 2wc4 h VAL 439 Ca 0.31 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.59 2wc4 h VAL 439 Cb 0.01 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2wc4 h VAL 439 CO -0.11 0.39 0.44 0.50 0.02 0.00 0.00 177.57 178.81 2wc4 h LYS 440 N 0.19 0.80 -0.00 1.57 3.64 -0.79 -1.34 116.57 120.64 2wc4 h LYS 440 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wc4 h LYS 440 Cb 0.68 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2wc4 h LYS 440 CO 0.04 0.53 -0.02 0.09 -2.27 0.00 0.00 179.45 177.83 2wc4 n ASN 441 N -4.69 0.07 -4.01 4.20 3.02 -0.08 -4.92 115.26 108.85 2wc4 n ASN 441 Ca 0.09 -0.32 -0.29 0.00 -0.03 0.00 0.00 54.58 54.03 2wc4 n ASN 441 Cb 0.13 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.20 -1.91 0.00 6.41 5.15 -0.04 -4.82 115.26 118.85 2wc4 n ASN 442 Ca 0.16 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 2wc4 n ASN 442 Cb 0.23 -3.16 0.00 0.00 -0.53 0.00 0.00 39.78 36.32 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 -1.74 0.37 3.79 8.20 0.00 0.58 -0.98 105.19 115.40 2wc4 n GLY 443 Ca -0.15 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 2wc4 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc4 s LEU 444 N 0.00 4.19 0.00 0.99 1.43 -0.09 -4.49 118.68 120.70 2wc4 s LEU 444 Ca 0.00 0.32 0.14 0.00 -1.03 0.00 0.00 54.13 53.56 2wc4 s LEU 444 Cb 0.00 -2.04 0.11 0.00 0.03 0.00 0.00 46.19 44.29 2wc4 s LEU 444 CO 0.00 0.31 0.93 -0.62 0.23 0.00 0.00 176.35 177.20