#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy4 n SER 5 N 0.00 0.41 -0.51 1.61 3.41 -1.26 -5.03 113.62 112.25 3fy4 n SER 5 Ca 0.00 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 3fy4 n SER 5 Cb 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3fy4 n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fy4 n GLY 6 N 0.12 6.07 3.67 5.00 0.00 -1.23 -3.79 105.19 115.03 3fy4 n GLY 6 Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 3fy4 n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fy4 s SER 7 N 0.24 3.76 -0.19 1.61 1.04 -0.39 -2.04 113.70 117.72 3fy4 s SER 7 Ca 0.00 -1.58 -0.05 0.00 0.48 0.00 0.00 55.95 54.81 3fy4 s SER 7 Cb 0.00 0.28 0.08 0.00 0.10 0.00 0.00 66.02 66.48 3fy4 s SER 7 CO 0.00 -0.76 0.15 -0.22 0.98 0.00 0.00 173.24 173.39 3fy4 s LEU 8 N -3.77 0.14 -0.31 2.42 2.96 -0.14 -0.14 118.68 119.83 3fy4 s LEU 8 Ca 0.17 -0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 3fy4 s LEU 8 Cb 0.04 0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.75 3fy4 s LEU 8 CO 0.09 -0.34 0.53 -0.51 -1.32 0.00 0.00 176.35 174.80 3fy4 s ILE 9 N 2.22 5.02 -0.23 6.68 1.10 -0.40 -1.28 121.20 134.31 3fy4 s ILE 9 Ca 0.04 0.61 -0.10 0.00 -0.51 0.00 0.00 60.65 60.69 3fy4 s ILE 9 Cb -0.16 -3.92 -0.05 0.00 0.15 0.00 0.00 42.46 38.48 3fy4 s ILE 9 CO -0.11 -0.10 0.14 0.86 -2.11 0.00 0.00 174.94 173.62 3fy4 s TRP 10 N 2.41 3.31 -0.17 3.50 -0.00 0.93 -1.32 118.94 127.61 3fy4 s TRP 10 Ca 0.21 0.19 -0.08 0.00 -0.00 0.00 0.00 56.10 56.41 3fy4 s TRP 10 Cb -0.15 -2.23 -0.05 0.00 -0.00 0.00 0.00 33.47 31.04 3fy4 s TRP 10 CO 0.12 0.08 0.12 -0.06 -0.00 0.00 0.00 176.95 177.21 3fy4 s PHE 11 N 0.92 3.44 0.13 5.86 0.40 0.81 -4.38 117.98 125.16 3fy4 s PHE 11 Ca 0.07 0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 3fy4 s PHE 11 Cb -0.13 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.33 3fy4 s PHE 11 CO 0.03 0.43 0.00 0.54 0.70 0.00 0.00 175.22 176.92 3fy4 n ARG 12 N 2.97 0.00 -0.70 0.44 3.00 -1.26 -4.31 116.66 116.80 3fy4 n ARG 12 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 3fy4 n ARG 12 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.93 3fy4 n ARG 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3fy4 n LYS 13 N -3.01 3.04 -3.81 5.56 5.02 -1.26 -4.80 118.16 118.89 3fy4 n LYS 13 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3fy4 n LYS 13 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3fy4 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fy4 n GLY 14 N 5.00 -0.39 2.91 0.72 0.00 -1.00 -4.78 105.19 107.66 3fy4 n GLY 14 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3fy4 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fy4 n LEU 15 N -4.49 5.34 -3.71 0.99 4.77 -0.18 -4.79 117.00 114.92 3fy4 n LEU 15 Ca -0.13 -3.43 -0.09 0.00 -0.03 0.00 0.00 56.01 52.33 3fy4 n LEU 15 Cb 0.60 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 3fy4 n LEU 15 CO 0.72 0.32 0.39 0.00 -1.33 0.00 0.00 177.39 177.49 3fy4 s ARG 16 N 4.16 1.54 -0.19 3.23 1.70 -1.25 -3.99 118.95 124.15 3fy4 s ARG 16 Ca 0.53 -0.83 0.12 0.00 -0.47 0.00 0.00 55.73 55.09 3fy4 s ARG 16 Cb 0.14 0.58 -0.21 0.00 -0.57 0.00 0.00 34.95 34.89 3fy4 s ARG 16 CO 0.03 -0.69 -0.01 0.28 -1.08 0.00 0.00 175.30 173.83 3fy4 n VAL 17 N -0.41 1.28 -2.43 4.99 0.31 -1.26 -4.83 118.33 115.97 3fy4 n VAL 17 Ca -0.09 -0.71 -0.34 0.00 -0.01 0.00 0.00 64.34 63.20 3fy4 n VAL 17 Cb 0.62 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 3fy4 n VAL 17 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3fy4 s HIS 18 N -2.45 3.04 -1.26 3.52 -3.43 -1.26 -3.93 115.29 109.52 3fy4 s HIS 18 Ca -0.15 1.56 -0.30 0.00 -0.80 0.00 0.00 55.06 55.37 3fy4 s HIS 18 Cb 0.06 -3.02 0.04 0.00 -1.43 0.00 0.00 32.58 28.23 3fy4 s HIS 18 CO 0.69 -0.83 0.59 -3.47 -2.00 0.00 0.00 174.74 169.73 3fy4 n ASP 19 N -1.24 -3.42 -3.77 7.38 4.64 0.13 -4.85 116.55 115.42 3fy4 n ASP 19 Ca 0.09 -1.30 -0.28 0.00 -1.38 0.00 0.00 54.79 51.93 3fy4 n ASP 19 Cb 0.53 -1.69 -0.11 0.00 -1.04 0.00 0.00 41.12 38.81 3fy4 n ASP 19 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3fy4 n ASN 20 N -2.26 2.39 -0.28 1.67 2.85 -1.25 -4.96 115.26 113.42 3fy4 n ASN 20 Ca -0.14 -3.07 0.09 0.00 -0.11 0.00 0.00 54.58 51.35 3fy4 n ASN 20 Cb 0.58 -0.71 0.24 0.00 1.24 0.00 0.00 39.78 41.12 3fy4 n ASN 20 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fy4 h PRO 21 N 5.32 0.26 -0.75 1.20 0.11 -1.94 0.84 132.00 137.05 3fy4 h PRO 21 Ca 0.17 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.36 3fy4 h PRO 21 Cb 0.78 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.76 3fy4 h PRO 21 CO 0.66 0.17 0.41 0.00 -0.21 0.00 0.00 178.00 179.03 3fy4 h ALA 22 N 1.69 1.05 -0.11 -0.75 0.00 -1.92 -0.35 119.26 118.87 3fy4 h ALA 22 Ca 0.48 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 3fy4 h ALA 22 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3fy4 h ALA 22 CO -0.57 0.03 0.01 1.25 0.00 0.00 0.00 179.25 179.97 3fy4 h LEU 23 N 0.70 0.18 -0.60 0.00 6.46 -1.29 -1.52 115.31 119.23 3fy4 h LEU 23 Ca 0.36 -0.29 0.12 0.00 -0.12 0.00 0.00 57.88 57.96 3fy4 h LEU 23 Cb 0.34 -0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.12 3fy4 h LEU 23 CO -0.25 0.42 -0.02 -0.08 -0.62 0.00 0.00 178.44 177.90 3fy4 h GLU 24 N -0.07 0.10 0.09 1.25 4.81 -0.29 0.12 114.58 120.59 3fy4 h GLU 24 Ca 0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3fy4 h GLU 24 Cb 0.33 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3fy4 h GLU 24 CO 0.00 0.06 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.38 3fy4 h TYR 25 N 0.10 -0.11 -0.12 0.92 -0.00 -0.98 -2.37 116.97 114.41 3fy4 h TYR 25 Ca 0.31 -0.00 0.04 0.00 -0.00 0.00 0.00 58.73 59.07 3fy4 h TYR 25 Cb 0.50 0.04 -0.00 0.00 -0.00 0.00 0.00 36.73 37.26 3fy4 h TYR 25 CO -0.38 0.21 0.11 0.00 -0.00 0.00 0.00 178.16 178.10 3fy4 h ALA 26 N 0.43 1.87 0.00 1.82 0.00 -0.74 -0.22 119.26 122.42 3fy4 h ALA 26 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fy4 h ALA 26 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fy4 h ALA 26 CO 0.02 -0.17 -0.41 0.66 0.00 0.00 0.00 179.25 179.35 3fy4 h SER 27 N 0.00 0.00 -3.18 0.00 4.64 -0.61 -3.43 113.55 110.97 3fy4 h SER 27 Ca 0.06 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.73 3fy4 h SER 27 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 3fy4 h SER 27 CO -0.00 0.04 0.65 -0.75 -0.87 0.00 0.00 176.83 175.90 3fy4 s LYS 28 N -3.19 4.32 -0.79 4.77 2.20 -0.10 -4.35 119.74 122.60 3fy4 s LYS 28 Ca 0.06 1.31 -0.00 0.00 -0.36 0.00 0.00 55.97 56.98 3fy4 s LYS 28 Cb 0.11 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3fy4 s LYS 28 CO 0.69 -0.47 0.66 0.41 -0.36 0.00 0.00 175.35 176.28 3fy4 n GLY 29 N 3.28 -1.27 3.35 5.54 0.00 -1.26 -4.99 105.19 109.83 3fy4 n GLY 29 Ca 0.10 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.54 3fy4 n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fy4 s SER 30 N -3.01 -0.56 0.04 1.61 0.01 -1.26 -5.00 113.70 105.53 3fy4 s SER 30 Ca 0.01 0.99 -0.32 0.00 1.31 0.00 0.00 55.95 57.94 3fy4 s SER 30 Cb -0.00 0.91 -0.18 0.00 0.21 0.00 0.00 66.02 66.95 3fy4 s SER 30 CO 0.82 -0.19 1.36 -0.33 0.41 0.00 0.00 173.24 175.31 3fy4 h GLU 31 N 6.57 -1.06 -6.16 12.44 5.08 -1.95 -3.45 114.58 126.05 3fy4 h GLU 31 Ca -0.33 0.07 -0.59 0.00 -1.00 0.00 0.00 59.36 57.51 3fy4 h GLU 31 Cb 1.19 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.56 3fy4 h GLU 31 CO 0.25 -0.70 -0.70 -0.59 -1.00 0.00 0.00 179.01 176.27 3fy4 s PHE 32 N -5.37 2.45 -0.09 4.33 -0.71 -1.26 -4.13 117.98 113.20 3fy4 s PHE 32 Ca -0.17 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 55.34 3fy4 s PHE 32 Cb 0.02 -1.15 0.04 0.00 -1.21 0.00 0.00 43.02 40.71 3fy4 s PHE 32 CO 0.52 0.64 0.22 1.41 -1.34 0.00 0.00 175.22 176.68 3fy4 s MET 33 N -3.59 0.19 -0.35 1.99 1.75 0.69 -1.26 119.30 118.71 3fy4 s MET 33 Ca 0.31 0.45 -0.05 0.00 -1.25 0.00 0.00 55.69 55.15 3fy4 s MET 33 Cb -0.04 -0.09 0.06 0.00 2.84 0.00 0.00 34.83 37.60 3fy4 s MET 33 CO 0.17 -0.14 0.12 0.71 -0.65 0.00 0.00 175.02 175.24 3fy4 s TYR 34 N 1.02 3.32 -0.18 4.11 1.51 0.81 -4.02 117.35 123.92 3fy4 s TYR 34 Ca -0.07 -1.67 -0.22 0.00 -1.01 0.00 0.00 57.07 54.10 3fy4 s TYR 34 Cb -0.09 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3fy4 s TYR 34 CO -0.06 -0.80 0.66 -2.14 -1.11 0.00 0.00 175.55 172.10 3fy4 s PRO 35 N 1.34 4.25 0.08 -1.71 0.02 -1.26 -1.27 135.00 136.45 3fy4 s PRO 35 Ca -0.00 0.70 0.03 0.00 0.02 0.00 0.00 61.00 61.75 3fy4 s PRO 35 Cb -0.21 -3.56 -0.03 0.00 0.02 0.00 0.00 34.50 30.72 3fy4 s PRO 35 CO 0.01 -0.21 -0.08 0.14 -0.33 0.00 0.00 177.00 176.52 3fy4 s VAL 36 N 1.80 0.74 -0.02 3.83 -7.23 -0.43 -0.48 120.40 118.61 3fy4 s VAL 36 Ca 0.31 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 3fy4 s VAL 36 Cb -0.16 -1.18 0.02 0.00 0.56 0.00 0.00 36.38 35.61 3fy4 s VAL 36 CO 0.11 -0.57 0.05 0.12 -0.31 0.00 0.00 175.10 174.50 3fy4 s PHE 37 N -2.37 -0.03 -0.23 2.82 5.36 -0.39 -0.13 117.98 123.00 3fy4 s PHE 37 Ca 0.02 0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 56.09 3fy4 s PHE 37 Cb -0.03 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 3fy4 s PHE 37 CO -0.01 -0.06 -0.01 0.08 -1.46 0.00 0.00 175.22 173.76 3fy4 s VAL 38 N 0.48 3.63 -0.29 3.12 1.01 -1.26 -1.34 120.40 125.74 3fy4 s VAL 38 Ca -0.04 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3fy4 s VAL 38 Cb -0.05 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3fy4 s VAL 38 CO -0.02 0.38 1.15 -0.63 0.00 0.00 0.00 175.10 175.98 3fy4 s ILE 39 N 1.51 4.40 -0.35 2.22 -1.09 0.48 -4.88 121.20 123.50 3fy4 s ILE 39 Ca 0.06 1.62 -0.18 0.00 -2.23 0.00 0.00 60.65 59.92 3fy4 s ILE 39 Cb -0.15 -4.30 -0.00 0.00 -1.58 0.00 0.00 42.46 36.43 3fy4 s ILE 39 CO -0.01 -0.43 0.49 -0.62 -1.23 0.00 0.00 174.94 173.14 3fy4 s ASP 40 N 1.94 6.30 0.55 3.58 3.68 -1.26 -1.93 116.67 129.52 3fy4 s ASP 40 Ca 0.49 -0.08 0.28 0.00 2.13 0.00 0.00 52.55 55.37 3fy4 s ASP 40 Cb -0.14 -2.26 1.45 0.00 -1.45 0.00 0.00 42.92 40.52 3fy4 s ASP 40 CO 0.17 -0.47 1.95 -0.65 0.13 0.00 0.00 175.17 176.30 3fy4 h PRO 41 N 8.47 0.00 0.00 4.34 0.11 -1.95 -1.06 132.00 141.91 3fy4 h PRO 41 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 3fy4 h PRO 41 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fy4 h PRO 41 CO 0.77 0.00 -0.42 1.25 -0.21 0.00 0.00 178.00 179.38 3fy4 h HIS 42 N 0.00 0.00 0.00 0.65 2.76 -1.92 -1.28 115.15 115.36 3fy4 h HIS 42 Ca 0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3fy4 h HIS 42 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 3fy4 h HIS 42 CO 0.00 0.42 -0.78 0.66 -1.30 0.00 0.00 177.93 176.93 3fy4 n TYR 43 N -3.64 0.00 -0.04 5.26 4.01 -0.64 -4.41 117.16 117.70 3fy4 n TYR 43 Ca -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.69 3fy4 n TYR 43 Cb 0.52 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 3fy4 n TYR 43 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 3fy4 n MET 44 N -1.40 1.97 -2.51 -0.72 1.56 -0.50 -4.53 117.12 111.00 3fy4 n MET 44 Ca 0.03 0.02 -0.36 0.00 -0.27 0.00 0.00 57.70 57.12 3fy4 n MET 44 Cb 0.25 -1.17 -0.03 0.00 2.15 0.00 0.00 33.22 34.41 3fy4 n MET 44 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3fy4 s GLU 45 N -2.17 3.97 0.24 2.12 2.02 -0.49 -4.66 118.70 119.74 3fy4 s GLU 45 Ca -0.06 1.48 -0.31 0.00 0.02 0.00 0.00 54.97 56.10 3fy4 s GLU 45 Cb 0.02 -2.35 -0.14 0.00 0.10 0.00 0.00 34.13 31.77 3fy4 s GLU 45 CO 0.25 -0.30 1.34 0.45 0.02 0.00 0.00 175.26 177.01 3fy4 n SER 46 N -0.48 2.48 -3.89 -0.19 2.88 -0.93 -3.92 113.62 109.57 3fy4 n SER 46 Ca 0.07 1.15 -0.30 0.00 -1.33 0.00 0.00 58.87 58.46 3fy4 n SER 46 Cb 0.51 -1.40 -0.15 0.00 -0.75 0.00 0.00 64.21 62.41 3fy4 n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3fy4 s ASP 47 N 0.13 3.89 0.00 -3.46 2.15 -0.04 -4.92 116.67 114.43 3fy4 s ASP 47 Ca 0.67 -1.34 0.03 0.00 0.43 0.00 0.00 52.55 52.34 3fy4 s ASP 47 Cb -0.67 -1.12 0.16 0.00 -0.30 0.00 0.00 42.92 40.99 3fy4 s ASP 47 CO 0.52 -0.29 1.03 -2.65 -0.17 0.00 0.00 175.17 173.61 3fy4 n PRO 48 N 4.69 0.02 0.02 4.34 -0.02 -1.26 -2.52 135.00 140.27 3fy4 n PRO 48 Ca -0.08 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3fy4 n PRO 48 Cb 0.44 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.70 3fy4 n PRO 48 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3fy4 n SER 49 N -1.40 0.49 -0.23 2.55 7.64 -1.26 -5.07 113.62 116.34 3fy4 n SER 49 Ca 0.01 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3fy4 n SER 49 Cb 0.03 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3fy4 n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fy4 n ALA 50 N -1.60 0.00 -0.09 -0.43 0.00 -1.05 -5.14 120.51 112.20 3fy4 n ALA 50 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 3fy4 n ALA 50 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3fy4 n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fy4 n SER 52 N 0.00 -0.35 -4.59 0.00 3.41 -1.26 -5.06 113.62 105.77 3fy4 n SER 52 Ca 0.00 0.04 -0.50 0.00 -0.26 0.00 0.00 58.87 58.15 3fy4 n SER 52 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3fy4 n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3fy4 n PRO 53 N 0.14 1.22 -0.27 4.33 -0.02 -1.26 -4.83 135.00 134.31 3fy4 n PRO 53 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3fy4 n PRO 53 Cb 0.04 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3fy4 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fy4 n GLY 54 N 2.31 0.87 0.00 -1.23 0.00 -1.26 -1.45 105.19 104.43 3fy4 n GLY 54 Ca 0.17 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3fy4 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fy4 n SER 55 N 0.63 0.00 0.02 1.61 3.41 0.11 -0.86 113.62 118.55 3fy4 n SER 55 Ca 0.00 -0.88 0.12 0.00 -0.26 0.00 0.00 58.87 57.86 3fy4 n SER 55 Cb 0.00 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.47 3fy4 n SER 55 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fy4 n SER 56 N -2.63 0.17 0.00 4.04 3.41 -1.26 -3.80 113.62 113.55 3fy4 n SER 56 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3fy4 n SER 56 Cb 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 3fy4 n SER 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fy4 n ARG 57 N -1.66 0.55 -3.68 4.33 1.74 -1.26 -4.97 116.66 111.69 3fy4 n ARG 57 Ca 0.06 -0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 56.40 3fy4 n ARG 57 Cb 0.31 -0.61 -0.10 0.00 -1.02 0.00 0.00 32.46 31.04 3fy4 n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fy4 s ALA 58 N -0.19 -1.07 0.66 7.54 0.00 -1.25 -4.12 121.76 123.34 3fy4 s ALA 58 Ca 0.00 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 3fy4 s ALA 58 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3fy4 s ALA 58 CO 0.00 -0.42 1.05 0.20 0.00 0.00 0.00 175.76 176.58 3fy4 s GLY 59 N 1.80 1.68 0.31 0.00 0.00 0.10 0.05 107.32 111.26 3fy4 s GLY 59 Ca -0.07 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.72 3fy4 s GLY 59 CO -0.13 0.32 1.83 -0.39 0.00 0.00 0.00 173.10 174.73 3fy4 h VAL 60 N -0.51 0.84 -0.48 1.40 -1.51 -1.57 -2.08 116.25 112.35 3fy4 h VAL 60 Ca -0.44 -0.29 0.10 0.00 -1.23 0.00 0.00 66.70 64.83 3fy4 h VAL 60 Cb 1.20 -0.08 -0.09 0.00 -2.13 0.00 0.00 31.29 30.19 3fy4 h VAL 60 CO 0.59 0.16 -0.13 0.78 -1.23 0.00 0.00 177.57 177.74 3fy4 h ASN 61 N 0.85 -0.46 0.66 4.19 -0.26 -1.92 0.42 115.58 119.06 3fy4 h ASN 61 Ca 0.50 0.15 -0.14 0.00 -0.56 0.00 0.00 56.30 56.25 3fy4 h ASN 61 Cb 0.66 0.30 -0.02 0.00 -1.06 0.00 0.00 38.32 38.21 3fy4 h ASN 61 CO -0.27 -0.16 -0.67 -0.09 -1.06 0.00 0.00 177.43 175.17 3fy4 h ARG 62 N -0.01 0.00 -0.52 0.81 2.43 -1.69 -1.79 114.38 113.62 3fy4 h ARG 62 Ca 0.23 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3fy4 h ARG 62 Cb 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3fy4 h ARG 62 CO -0.50 0.67 -0.11 0.82 -1.51 0.00 0.00 179.97 179.35 3fy4 h ILE 63 N 0.00 1.27 -0.35 1.20 2.04 -0.58 -0.64 117.51 120.45 3fy4 h ILE 63 Ca -0.01 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 3fy4 h ILE 63 Cb 1.18 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3fy4 h ILE 63 CO 0.09 0.44 0.01 -0.09 0.00 0.00 0.00 178.15 178.59 3fy4 h ARG 64 N 0.86 0.62 -0.49 2.37 2.43 -0.12 0.10 114.38 120.16 3fy4 h ARG 64 Ca 0.14 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3fy4 h ARG 64 Cb 0.65 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3fy4 h ARG 64 CO 0.05 0.73 0.20 0.35 -1.51 0.00 0.00 179.97 179.78 3fy4 h PHE 65 N 0.44 0.36 0.24 2.20 3.57 -1.07 0.24 116.94 122.91 3fy4 h PHE 65 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3fy4 h PHE 65 Cb 0.44 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3fy4 h PHE 65 CO 0.03 0.14 -0.11 1.25 -2.23 0.00 0.00 178.31 177.39 3fy4 h LEU 66 N 0.40 -0.27 -1.15 0.59 5.85 -0.91 0.65 115.31 120.46 3fy4 h LEU 66 Ca 0.23 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.98 3fy4 h LEU 66 Cb 0.21 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3fy4 h LEU 66 CO -0.21 -0.05 0.60 -0.07 -0.34 0.00 0.00 178.44 178.37 3fy4 h LEU 67 N -0.48 0.78 -0.58 2.25 3.38 -0.36 0.16 115.31 120.46 3fy4 h LEU 67 Ca -0.03 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3fy4 h LEU 67 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fy4 h LEU 67 CO 0.05 0.39 -0.37 -0.33 0.09 0.00 0.00 178.44 178.27 3fy4 h GLU 68 N 0.82 0.71 -0.75 1.13 5.08 -0.25 -2.35 114.58 118.98 3fy4 h GLU 68 Ca 0.48 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3fy4 h GLU 68 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3fy4 h GLU 68 CO -0.25 0.97 0.37 0.77 -1.00 0.00 0.00 179.01 179.88 3fy4 h SER 69 N 0.59 0.97 -0.01 1.42 0.02 0.16 -2.30 113.55 114.41 3fy4 h SER 69 Ca 0.05 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3fy4 h SER 69 Cb 0.91 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3fy4 h SER 69 CO 0.08 0.82 0.00 -0.07 -1.14 0.00 0.00 176.83 176.52 3fy4 h LEU 70 N 1.05 0.01 -0.60 5.07 3.38 -0.91 -1.32 115.31 121.99 3fy4 h LEU 70 Ca 0.26 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3fy4 h LEU 70 Cb 0.10 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3fy4 h LEU 70 CO -0.03 0.22 0.21 0.11 0.09 0.00 0.00 178.44 179.03 3fy4 h LYS 71 N -0.20 0.37 0.11 1.13 1.57 -1.31 0.27 116.57 118.51 3fy4 h LYS 71 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fy4 h LYS 71 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3fy4 h LYS 71 CO -0.00 0.24 -0.08 0.22 -0.57 0.00 0.00 179.45 179.26 3fy4 h ASP 72 N 0.38 -0.21 -0.70 0.86 1.82 -1.28 0.11 116.42 117.40 3fy4 h ASP 72 Ca 0.30 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.07 3fy4 h ASP 72 Cb 0.38 0.07 -0.08 0.00 0.68 0.00 0.00 39.33 40.38 3fy4 h ASP 72 CO -0.31 -0.13 0.30 0.25 -1.61 0.00 0.00 179.24 177.74 3fy4 h LEU 73 N -0.20 0.34 0.22 2.28 5.85 -0.33 0.17 115.31 123.64 3fy4 h LEU 73 Ca -0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fy4 h LEU 73 Cb 0.18 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3fy4 h LEU 73 CO -0.00 0.18 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.29 3fy4 h ASP 74 N 0.50 -0.54 -0.96 1.25 3.58 0.21 -0.28 116.42 120.18 3fy4 h ASP 74 Ca 0.36 0.05 0.11 0.00 0.42 0.00 0.00 57.03 57.97 3fy4 h ASP 74 Cb 0.45 0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.61 3fy4 h ASP 74 CO -0.32 -0.30 0.61 0.28 -2.88 0.00 0.00 179.24 176.63 3fy4 h SER 75 N -0.45 0.88 -0.37 2.28 0.02 0.24 0.18 113.55 116.33 3fy4 h SER 75 Ca -0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3fy4 h SER 75 Cb 0.41 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3fy4 h SER 75 CO -0.04 0.49 0.18 0.28 -1.14 0.00 0.00 176.83 176.59 3fy4 h SER 76 N 0.95 0.49 -0.26 3.07 0.02 0.02 -2.42 113.55 115.44 3fy4 h SER 76 Ca 0.46 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 3fy4 h SER 76 Cb 0.46 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3fy4 h SER 76 CO -0.23 0.49 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.81 3fy4 h LEU 77 N 0.47 0.61 -0.69 5.07 3.38 0.21 -2.80 115.31 121.56 3fy4 h LEU 77 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3fy4 h LEU 77 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3fy4 h LEU 77 CO -0.02 0.73 0.30 0.11 0.09 0.00 0.00 178.44 179.66 3fy4 h LYS 78 N 0.59 1.02 -0.42 1.13 1.57 -0.75 0.12 116.57 119.81 3fy4 h LYS 78 Ca 0.11 -0.17 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 3fy4 h LYS 78 Cb 0.48 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3fy4 h LYS 78 CO 0.03 0.83 0.36 0.87 -0.57 0.00 0.00 179.45 180.96 3fy4 h LYS 79 N 0.97 0.00 -0.66 3.15 1.57 -1.16 0.22 116.57 120.66 3fy4 h LYS 79 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3fy4 h LYS 79 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3fy4 h LYS 79 CO -0.02 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.14 3fy4 n LEU 80 N -4.09 4.42 -1.57 2.94 4.32 -0.61 -4.92 117.00 117.48 3fy4 n LEU 80 Ca 0.07 -2.23 -0.10 0.00 -0.02 0.00 0.00 56.01 53.74 3fy4 n LEU 80 Cb 0.55 -0.55 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 3fy4 n LEU 80 CO 0.33 0.79 0.04 0.61 -1.22 0.00 0.00 177.39 177.93 3fy4 n GLY 81 N 1.17 0.23 0.00 -0.72 0.00 0.76 -2.69 105.19 103.93 3fy4 n GLY 81 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3fy4 n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fy4 n SER 82 N -0.19 0.46 -3.61 1.61 2.88 0.30 -4.23 113.62 110.83 3fy4 n SER 82 Ca -0.03 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 3fy4 n SER 82 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 3fy4 n SER 82 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3fy4 s ARG 83 N 1.38 0.40 -0.20 -1.46 3.52 -1.26 -3.64 118.95 117.70 3fy4 s ARG 83 Ca 0.00 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.34 3fy4 s ARG 83 Cb 0.00 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 3fy4 s ARG 83 CO 0.00 -0.18 0.04 -1.17 -0.81 0.00 0.00 175.30 173.18 3fy4 s LEU 84 N -2.62 3.55 -0.46 -0.88 2.96 -1.26 -4.32 118.68 115.65 3fy4 s LEU 84 Ca 0.12 -0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 3fy4 s LEU 84 Cb 0.02 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.86 3fy4 s LEU 84 CO -0.04 0.11 0.40 -0.76 -1.32 0.00 0.00 176.35 174.74 3fy4 s LEU 85 N 0.75 5.43 -0.19 -0.68 1.43 0.37 -4.91 118.68 120.88 3fy4 s LEU 85 Ca 0.02 -1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 51.85 3fy4 s LEU 85 Cb -0.14 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 3fy4 s LEU 85 CO 0.02 -0.63 0.13 -0.69 0.23 0.00 0.00 176.35 175.41 3fy4 s VAL 86 N 1.77 5.42 0.27 -1.59 1.01 -1.17 -1.26 120.40 124.84 3fy4 s VAL 86 Ca 0.06 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3fy4 s VAL 86 Cb -0.22 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3fy4 s VAL 86 CO 0.08 0.47 -0.02 -0.36 0.00 0.00 0.00 175.10 175.27 3fy4 s PHE 87 N 0.14 1.78 0.09 5.22 2.99 -0.45 -3.71 117.98 124.04 3fy4 s PHE 87 Ca 0.09 -0.84 0.09 0.00 0.00 0.00 0.00 56.93 56.27 3fy4 s PHE 87 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 43.02 41.82 3fy4 s PHE 87 CO -0.01 0.10 -0.22 0.15 -0.00 0.00 0.00 175.22 175.23 3fy4 s LYS 88 N -3.81 1.28 0.00 0.44 1.02 -1.26 0.18 119.74 117.59 3fy4 s LYS 88 Ca 0.30 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.15 3fy4 s LYS 88 Cb 0.05 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.82 3fy4 s LYS 88 CO 0.11 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 3fy4 n GLY 89 N 1.27 0.92 3.70 -3.33 0.00 -0.82 -4.91 105.19 102.02 3fy4 n GLY 89 Ca -0.19 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 3fy4 n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fy4 s GLU 90 N -0.99 4.41 0.20 1.61 4.04 -1.26 -4.17 118.70 122.53 3fy4 s GLU 90 Ca 0.00 1.61 -0.13 0.00 0.04 0.00 0.00 54.97 56.50 3fy4 s GLU 90 Cb 0.00 -3.50 0.25 0.00 0.02 0.00 0.00 34.13 30.90 3fy4 s GLU 90 CO 0.00 -0.34 1.30 -2.30 -1.84 0.00 0.00 175.26 172.09 3fy4 n PRO 91 N 4.75 -0.17 0.05 -4.83 -0.02 -1.26 -2.24 135.00 131.29 3fy4 n PRO 91 Ca 0.10 1.30 -0.12 0.00 -2.02 0.00 0.00 63.50 62.75 3fy4 n PRO 91 Cb 0.47 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 3fy4 n PRO 91 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3fy4 h GLY 92 N 0.00 -1.20 0.15 -1.23 0.00 -1.92 0.25 103.07 99.13 3fy4 h GLY 92 Ca 0.32 0.64 0.12 0.00 0.00 0.00 0.00 47.33 48.41 3fy4 h GLY 92 CO -0.84 -0.32 0.13 0.83 0.00 0.00 0.00 176.54 176.35 3fy4 h GLU 93 N -0.51 0.26 -0.25 4.80 5.08 -1.87 -1.17 114.58 120.92 3fy4 h GLU 93 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3fy4 h GLU 93 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3fy4 h GLU 93 CO -0.25 0.17 0.11 0.28 -1.00 0.00 0.00 179.01 178.32 3fy4 h VAL 94 N 0.26 1.16 -0.75 3.13 2.07 -1.01 -0.92 116.25 120.19 3fy4 h VAL 94 Ca 0.33 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3fy4 h VAL 94 Cb 0.50 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3fy4 h VAL 94 CO -0.42 0.16 0.46 -0.07 0.02 0.00 0.00 177.57 177.72 3fy4 h LEU 95 N 0.26 0.74 -0.45 2.57 -0.00 0.11 0.56 115.31 119.10 3fy4 h LEU 95 Ca 0.08 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 3fy4 h LEU 95 Cb 0.14 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 3fy4 h LEU 95 CO -0.01 0.50 0.19 0.58 -0.00 0.00 0.00 178.44 179.70 3fy4 h VAL 96 N 0.88 1.20 -0.01 1.22 2.07 -1.04 -0.74 116.25 119.84 3fy4 h VAL 96 Ca 0.31 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3fy4 h VAL 96 Cb 0.07 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3fy4 h VAL 96 CO -0.13 0.22 -0.34 -0.09 0.02 0.00 0.00 177.57 177.25 3fy4 h ARG 97 N 0.58 0.01 -0.18 1.57 2.43 -0.68 -0.56 114.38 117.56 3fy4 h ARG 97 Ca 0.15 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 3fy4 h ARG 97 Cb 0.17 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3fy4 h ARG 97 CO -0.01 0.35 -0.56 0.00 -1.51 0.00 0.00 179.97 178.24 3fy4 h LEU 99 N 0.41 0.17 -0.02 0.00 3.38 -0.50 -2.31 115.31 116.45 3fy4 h LEU 99 Ca 0.01 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3fy4 h LEU 99 Cb 1.10 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3fy4 h LEU 99 CO 0.10 0.72 -0.36 1.56 0.09 0.00 0.00 178.44 180.56 3fy4 h GLN 100 N 0.11 0.27 -0.01 1.13 4.20 -0.91 -3.36 115.11 116.54 3fy4 h GLN 100 Ca -0.00 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3fy4 h GLN 100 Cb 1.07 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 3fy4 h GLN 100 CO 0.09 0.96 0.00 1.49 -0.67 0.00 0.00 178.83 180.70 3fy4 h GLU 101 N -0.32 0.02 -6.70 1.46 4.57 -1.07 -3.44 114.58 109.10 3fy4 h GLU 101 Ca -0.04 -0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.67 3fy4 h GLU 101 Cb 1.07 -0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3fy4 h GLU 101 CO 0.07 0.24 -0.09 -1.58 -1.18 0.00 0.00 179.01 176.47 3fy4 s TRP 102 N -5.27 1.83 -0.35 0.92 0.51 -0.87 -4.94 118.94 110.78 3fy4 s TRP 102 Ca -0.14 -0.53 0.02 0.00 -2.12 0.00 0.00 56.10 53.32 3fy4 s TRP 102 Cb 0.04 -2.42 0.11 0.00 -0.81 0.00 0.00 33.47 30.39 3fy4 s TRP 102 CO 0.67 -1.08 0.10 0.15 -0.51 0.00 0.00 176.95 176.28 3fy4 s LYS 103 N -4.69 1.15 -0.08 4.98 -0.14 -1.26 -4.68 119.74 115.02 3fy4 s LYS 103 Ca 0.61 -1.59 0.03 0.00 -1.36 0.00 0.00 55.97 53.66 3fy4 s LYS 103 Cb -0.07 -2.60 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 3fy4 s LYS 103 CO 0.39 -0.99 -0.17 0.14 -0.76 0.00 0.00 175.35 173.95 3fy4 s VAL 104 N 1.09 2.72 -2.41 3.17 -7.23 -1.26 -3.53 120.40 112.95 3fy4 s VAL 104 Ca 0.12 -0.81 0.24 0.00 -1.81 0.00 0.00 61.98 59.71 3fy4 s VAL 104 Cb -0.19 -2.08 0.16 0.00 0.56 0.00 0.00 36.38 34.83 3fy4 s VAL 104 CO -0.14 0.56 1.29 0.29 -0.31 0.00 0.00 175.10 176.78 3fy4 n LYS 105 N 3.00 1.63 -3.91 4.82 4.01 -0.87 -4.85 118.16 122.00 3fy4 n LYS 105 Ca -0.18 -1.27 -0.23 0.00 -0.51 0.00 0.00 58.31 56.12 3fy4 n LYS 105 Cb 0.52 -1.47 -0.17 0.00 -0.51 0.00 0.00 35.03 33.40 3fy4 n LYS 105 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3fy4 s ARG 106 N -2.25 0.82 -0.21 1.97 3.52 -1.24 -1.55 118.95 120.01 3fy4 s ARG 106 Ca 0.25 -0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 3fy4 s ARG 106 Cb 0.19 -1.03 0.04 0.00 -1.56 0.00 0.00 34.95 32.59 3fy4 s ARG 106 CO 0.44 -0.23 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.37 3fy4 s LEU 107 N 1.62 2.60 0.06 -0.88 2.96 0.49 -0.97 118.68 124.56 3fy4 s LEU 107 Ca 0.00 -0.93 0.09 0.00 -0.22 0.00 0.00 54.13 53.07 3fy4 s LEU 107 Cb -0.13 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3fy4 s LEU 107 CO -0.04 -0.08 -0.25 0.00 -1.32 0.00 0.00 176.35 174.65 3fy4 s PHE 109 N -0.85 -0.49 0.20 0.00 -0.71 -0.90 -0.05 117.98 115.19 3fy4 s PHE 109 Ca 0.11 1.07 -0.32 0.00 -1.04 0.00 0.00 56.93 56.75 3fy4 s PHE 109 Cb -0.10 0.36 -0.12 0.00 -1.21 0.00 0.00 43.02 41.95 3fy4 s PHE 109 CO 0.03 -0.24 1.70 -1.91 -1.34 0.00 0.00 175.22 173.46 3fy4 n GLU 110 N 2.90 2.68 -1.71 1.99 2.13 -1.26 -4.13 120.64 123.24 3fy4 n GLU 110 Ca -0.15 0.97 -0.34 0.00 0.66 0.00 0.00 57.16 58.30 3fy4 n GLU 110 Cb 0.57 -2.80 0.06 0.00 0.27 0.00 0.00 31.44 29.54 3fy4 n GLU 110 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3fy4 s TYR 111 N 1.08 2.44 0.03 4.31 6.14 -0.61 -4.88 117.35 125.86 3fy4 s TYR 111 Ca 0.75 1.57 -0.13 0.00 0.64 0.00 0.00 57.07 59.90 3fy4 s TYR 111 Cb -0.53 -3.28 0.02 0.00 0.42 0.00 0.00 41.96 38.59 3fy4 s TYR 111 CO 0.34 -1.97 0.27 0.34 0.64 0.00 0.00 175.55 175.17 3fy4 s ASP 112 N -2.32 -0.09 -0.00 4.32 2.15 -1.26 -4.67 116.67 114.80 3fy4 s ASP 112 Ca 0.70 -0.19 0.21 0.00 0.43 0.00 0.00 52.55 53.69 3fy4 s ASP 112 Cb -0.24 0.33 -0.23 0.00 -0.30 0.00 0.00 42.92 42.48 3fy4 s ASP 112 CO 0.41 -0.57 0.56 0.35 -0.17 0.00 0.00 175.17 175.76 3fy4 n THR 113 N 0.74 0.56 -1.58 1.71 -2.24 -1.26 -4.56 114.28 107.65 3fy4 n THR 113 Ca -0.19 -0.60 -0.51 0.00 -2.27 0.00 0.00 64.05 60.47 3fy4 n THR 113 Cb 0.59 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 3fy4 n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fy4 n ASP 114 N -2.53 1.38 -0.32 3.42 10.43 -1.26 -4.64 116.55 123.04 3fy4 n ASP 114 Ca -0.09 1.13 0.18 0.00 2.57 0.00 0.00 54.79 58.58 3fy4 n ASP 114 Cb 0.72 -1.18 0.37 0.00 1.84 0.00 0.00 41.12 42.87 3fy4 n ASP 114 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3fy4 h PRO 115 N 3.92 0.22 -0.64 -0.24 0.11 -1.99 0.42 132.00 133.79 3fy4 h PRO 115 Ca -0.46 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 3fy4 h PRO 115 Cb 1.35 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 3fy4 h PRO 115 CO 0.73 0.15 0.43 -0.92 -0.21 0.00 0.00 178.00 178.18 3fy4 h TYR 116 N 0.23 0.60 0.00 0.65 3.20 -1.99 -2.05 116.97 117.60 3fy4 h TYR 116 Ca 0.64 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.52 3fy4 h TYR 116 Cb 1.39 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3fy4 h TYR 116 CO -0.17 0.31 -0.92 0.66 -1.64 0.00 0.00 178.16 176.39 3fy4 n TYR 117 N -4.48 0.82 0.05 -3.82 4.02 0.14 -2.70 117.16 111.19 3fy4 n TYR 117 Ca 0.10 0.24 -0.14 0.00 -0.01 0.00 0.00 57.90 58.08 3fy4 n TYR 117 Cb 0.28 -0.85 -0.04 0.00 -0.02 0.00 0.00 39.34 38.70 3fy4 n TYR 117 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3fy4 h GLN 118 N 0.00 0.52 -0.18 -0.72 4.20 -0.65 0.33 115.11 118.60 3fy4 h GLN 118 Ca 0.00 -0.51 -0.06 0.00 0.06 0.00 0.00 58.65 58.14 3fy4 h GLN 118 Cb 0.92 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 3fy4 h GLN 118 CO 0.00 1.14 -0.11 0.00 -0.67 0.00 0.00 178.83 179.19 3fy4 h ALA 119 N 0.69 0.26 -0.58 3.87 0.00 -1.52 -1.68 119.26 120.31 3fy4 h ALA 119 Ca -0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3fy4 h ALA 119 Cb 1.52 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3fy4 h ALA 119 CO 0.16 0.11 -0.01 1.25 0.00 0.00 0.00 179.25 180.76 3fy4 h LEU 120 N 0.08 1.01 -1.05 0.00 5.85 -1.50 -3.00 115.31 116.70 3fy4 h LEU 120 Ca 0.04 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 3fy4 h LEU 120 Cb 0.61 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3fy4 h LEU 120 CO 0.03 1.07 -0.23 0.44 -0.34 0.00 0.00 178.44 179.42 3fy4 h ASP 121 N 0.91 0.00 -0.07 1.25 3.32 -0.28 -2.52 116.42 119.03 3fy4 h ASP 121 Ca 0.16 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3fy4 h ASP 121 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 3fy4 h ASP 121 CO 0.03 0.23 -0.55 1.62 -1.72 0.00 0.00 179.24 178.85 3fy4 h VAL 122 N 0.00 1.38 -0.64 -1.35 3.04 -1.19 -2.16 116.25 115.33 3fy4 h VAL 122 Ca -0.00 -1.91 -0.04 0.00 -1.01 0.00 0.00 66.70 63.74 3fy4 h VAL 122 Cb 0.77 2.30 -0.03 0.00 -2.01 0.00 0.00 31.29 32.32 3fy4 h VAL 122 CO 0.03 0.57 0.22 0.11 -1.01 0.00 0.00 177.57 177.49 3fy4 h LYS 123 N 0.08 0.96 -0.13 4.17 1.57 -1.44 -2.62 116.57 119.17 3fy4 h LYS 123 Ca -0.05 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 3fy4 h LYS 123 Cb 1.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3fy4 h LYS 123 CO 0.11 0.81 -0.42 0.28 -0.57 0.00 0.00 179.45 179.66 3fy4 h VAL 124 N 0.93 1.37 -0.14 0.50 2.07 -1.48 -2.78 116.25 116.71 3fy4 h VAL 124 Ca 0.21 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 3fy4 h VAL 124 Cb 0.23 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3fy4 h VAL 124 CO -0.01 0.52 -0.11 0.11 0.02 0.00 0.00 177.57 178.09 3fy4 h LYS 125 N 0.11 0.22 -0.34 1.57 1.57 -1.35 0.23 116.57 118.58 3fy4 h LYS 125 Ca -0.02 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3fy4 h LYS 125 Cb 1.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3fy4 h LYS 125 CO 0.09 0.35 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.65 3fy4 h ASP 126 N 0.22 0.78 0.44 0.86 3.45 -1.47 -2.14 116.42 118.56 3fy4 h ASP 126 Ca 0.05 -0.43 -0.14 0.00 0.43 0.00 0.00 57.03 56.94 3fy4 h ASP 126 Cb 0.34 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3fy4 h ASP 126 CO 0.02 1.05 -0.59 0.22 -1.57 0.00 0.00 179.24 178.36 3fy4 h TYR 127 N 0.53 0.19 0.22 4.55 5.03 -1.16 -1.10 116.97 125.22 3fy4 h TYR 127 Ca 0.07 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3fy4 h TYR 127 Cb 0.78 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.03 3fy4 h TYR 127 CO 0.06 0.70 -0.11 0.00 -1.32 0.00 0.00 178.16 177.50 3fy4 h ALA 128 N 1.28 -0.30 -0.47 1.82 0.00 -0.87 -1.63 119.26 119.09 3fy4 h ALA 128 Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3fy4 h ALA 128 Cb 1.07 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3fy4 h ALA 128 CO 0.09 -0.47 -0.08 0.66 0.00 0.00 0.00 179.25 179.44 3fy4 h SER 129 N -0.69 0.82 0.09 0.00 4.64 -1.43 0.92 113.55 117.89 3fy4 h SER 129 Ca -0.03 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3fy4 h SER 129 Cb 0.48 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3fy4 h SER 129 CO 0.05 0.93 -0.05 -1.28 -0.87 0.00 0.00 176.83 175.61 3fy4 h SER 130 N 0.76 0.00 -0.35 4.97 0.87 -1.17 -1.87 113.55 116.76 3fy4 h SER 130 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3fy4 h SER 130 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3fy4 h SER 130 CO 0.04 0.05 0.00 0.35 -0.53 0.00 0.00 176.83 176.73 3fy4 n THR 131 N -4.10 2.03 -2.12 2.23 -2.24 -0.62 -4.96 114.28 104.51 3fy4 n THR 131 Ca -0.03 -1.59 -0.07 0.00 -2.27 0.00 0.00 64.05 60.09 3fy4 n THR 131 Cb 0.14 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3fy4 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fy4 n GLY 132 N -0.03 0.09 3.51 3.38 0.00 -0.70 -5.03 105.19 106.40 3fy4 n GLY 132 Ca 0.20 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3fy4 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fy4 s VAL 133 N -2.35 3.82 0.35 1.61 1.01 0.31 -4.92 120.40 120.24 3fy4 s VAL 133 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 3fy4 s VAL 133 Cb 0.00 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 3fy4 s VAL 133 CO 0.00 0.51 1.16 -0.70 0.00 0.00 0.00 175.10 176.07 3fy4 s GLU 134 N 0.16 4.30 -0.13 2.72 2.12 -0.59 -3.55 118.70 123.72 3fy4 s GLU 134 Ca -0.02 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.17 3fy4 s GLU 134 Cb -0.14 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.39 3fy4 s GLU 134 CO 0.03 -0.11 -0.12 0.08 -0.54 0.00 0.00 175.26 174.59 3fy4 s VAL 135 N -1.32 1.39 -0.22 3.70 1.01 -1.26 -0.38 120.40 123.33 3fy4 s VAL 135 Ca 0.52 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3fy4 s VAL 135 Cb -0.32 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.76 3fy4 s VAL 135 CO 0.41 0.43 -0.13 0.12 0.00 0.00 0.00 175.10 175.92 3fy4 s PHE 136 N 1.53 3.00 -0.41 5.22 5.99 -0.68 -5.02 117.98 127.61 3fy4 s PHE 136 Ca 0.04 -1.80 0.02 0.00 0.00 0.00 0.00 56.93 55.19 3fy4 s PHE 136 Cb -0.13 -1.97 0.15 0.00 0.00 0.00 0.00 43.02 41.07 3fy4 s PHE 136 CO -0.09 -0.80 0.27 0.45 -0.00 0.00 0.00 175.22 175.04 3fy4 s SER 137 N 1.25 2.91 0.59 6.13 0.15 -1.26 -2.11 113.70 121.37 3fy4 s SER 137 Ca -0.00 -2.62 -0.15 0.00 0.70 0.00 0.00 55.95 53.88 3fy4 s SER 137 Cb -0.16 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 3fy4 s SER 137 CO -0.08 -0.25 1.04 -2.16 1.20 0.00 0.00 173.24 172.99 3fy4 s PRO 138 N 0.48 3.41 -0.77 5.44 0.04 -1.26 -4.35 135.00 137.99 3fy4 s PRO 138 Ca 0.22 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 3fy4 s PRO 138 Cb -0.16 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.44 3fy4 s PRO 138 CO -0.05 -0.73 0.97 0.08 0.04 0.00 0.00 177.00 177.30 3fy4 s VAL 139 N -2.59 4.67 -0.06 -0.36 1.01 -1.26 -1.58 120.40 120.24 3fy4 s VAL 139 Ca 0.62 -1.12 0.18 0.00 0.00 0.00 0.00 61.98 61.66 3fy4 s VAL 139 Cb -0.14 -4.67 0.36 0.00 0.00 0.00 0.00 36.38 31.92 3fy4 s VAL 139 CO 0.39 -1.39 1.16 -1.54 0.00 0.00 0.00 175.10 173.72 3fy4 n SER 140 N 6.73 1.10 -0.00 3.32 3.41 -1.26 -4.70 113.62 122.21 3fy4 n SER 140 Ca 0.07 -2.50 0.04 0.00 -0.26 0.00 0.00 58.87 56.22 3fy4 n SER 140 Cb 0.46 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 3fy4 n SER 140 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3fy4 n HIS 141 N -0.06 0.00 -4.19 7.33 -0.00 -1.26 -4.73 115.22 112.31 3fy4 n HIS 141 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.69 3fy4 n HIS 141 Cb 0.95 -0.13 -0.10 0.00 -0.00 0.00 0.00 29.99 30.70 3fy4 n HIS 141 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3fy4 s THR 142 N -2.35 0.40 -0.70 3.57 -4.23 -1.26 -4.73 115.64 106.33 3fy4 s THR 142 Ca -0.01 -1.94 0.25 0.00 -1.18 0.00 0.00 61.69 58.82 3fy4 s THR 142 Cb 0.06 -2.03 0.22 0.00 1.34 0.00 0.00 72.50 72.09 3fy4 s THR 142 CO 0.37 -0.52 1.64 0.18 -0.54 0.00 0.00 174.62 175.74 3fy4 n LEU 143 N -0.15 0.80 -3.97 4.79 4.77 -1.26 -4.87 117.00 117.11 3fy4 n LEU 143 Ca -0.07 0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 3fy4 n LEU 143 Cb 0.63 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 3fy4 n LEU 143 CO 0.32 -0.15 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.51 3fy4 s PHE 144 N -3.12 0.27 -0.48 -1.77 0.40 -1.26 -4.40 117.98 107.61 3fy4 s PHE 144 Ca 0.09 -0.43 -0.23 0.00 -0.60 0.00 0.00 56.93 55.76 3fy4 s PHE 144 Cb 0.13 -0.18 0.03 0.00 0.51 0.00 0.00 43.02 43.50 3fy4 s PHE 144 CO 0.64 -0.14 0.83 1.21 0.70 0.00 0.00 175.22 178.45 3fy4 s ASN 145 N -1.20 6.38 0.46 1.36 2.47 -1.26 -4.91 114.94 118.24 3fy4 s ASN 145 Ca -0.12 -0.24 0.33 0.00 0.42 0.00 0.00 52.86 53.25 3fy4 s ASN 145 Cb -0.08 -2.40 1.47 0.00 -1.45 0.00 0.00 41.25 38.79 3fy4 s ASN 145 CO -0.01 -1.01 1.62 -0.65 -3.72 0.00 0.00 177.10 173.33 3fy4 h PRO 146 N 9.08 0.07 -2.52 0.43 0.11 -1.93 -2.93 132.00 134.31 3fy4 h PRO 146 Ca -0.25 -0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.11 3fy4 h PRO 146 Cb 1.08 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.02 3fy4 h PRO 146 CO 1.00 0.05 2.08 0.00 -0.21 0.00 0.00 178.00 180.92 3fy4 n ALA 147 N -2.59 6.67 0.00 -0.75 0.00 -1.26 -0.59 120.51 121.99 3fy4 n ALA 147 Ca 0.38 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.68 3fy4 n ALA 147 Cb 1.50 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3fy4 n ALA 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fy4 n ILE 149 N 1.35 0.00 0.30 0.00 2.08 -1.11 -3.62 119.36 118.36 3fy4 n ILE 149 Ca 0.59 0.00 0.18 0.00 0.56 0.00 0.00 62.75 64.08 3fy4 n ILE 149 Cb 0.26 0.00 0.84 0.00 -0.75 0.00 0.00 39.64 39.99 3fy4 n ILE 149 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3fy4 h ILE 150 N 0.00 0.00 0.00 1.39 2.04 -1.10 -1.15 117.51 118.68 3fy4 h ILE 150 Ca 0.00 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 3fy4 h ILE 150 Cb 0.00 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3fy4 h ILE 150 CO 0.00 0.00 -0.73 -0.08 0.00 0.00 0.00 178.15 177.34 3fy4 h GLU 151 N 0.00 0.00 0.00 2.37 4.81 -1.76 -3.27 114.58 116.73 3fy4 h GLU 151 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fy4 h GLU 151 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3fy4 h GLU 151 CO 0.00 0.83 0.04 -0.22 -0.73 0.00 0.00 179.01 178.93 3fy4 h LYS 152 N -1.00 0.00 -0.48 1.92 3.64 -1.75 0.70 116.57 119.60 3fy4 h LYS 152 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3fy4 h LYS 152 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3fy4 h LYS 152 CO -0.11 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.36 3fy4 n ASN 153 N -2.47 4.82 0.00 4.20 5.15 -0.46 -5.04 115.26 121.46 3fy4 n ASN 153 Ca -0.02 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 3fy4 n ASN 153 Cb 0.08 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 3fy4 n ASN 153 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fy4 n GLY 154 N 0.37 0.96 0.00 8.20 0.00 0.24 -4.36 105.19 110.60 3fy4 n GLY 154 Ca 0.25 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 3fy4 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy4 n GLY 155 N 0.00 -0.04 3.80 -0.02 0.00 -1.24 -4.39 105.19 103.31 3fy4 n GLY 155 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3fy4 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy4 s LYS 156 N -2.03 2.24 0.36 1.61 1.02 -1.25 -4.87 119.74 116.81 3fy4 s LYS 156 Ca -0.00 -2.01 -0.12 0.00 0.02 0.00 0.00 55.97 53.86 3fy4 s LYS 156 Cb 0.00 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 3fy4 s LYS 156 CO 0.04 -0.34 0.73 -1.25 -0.92 0.00 0.00 175.35 173.61 3fy4 s PRO 157 N -4.03 3.86 0.19 -1.68 0.04 -1.26 -4.62 135.00 127.49 3fy4 s PRO 157 Ca 0.32 0.52 -0.33 0.00 0.04 0.00 0.00 61.00 61.55 3fy4 s PRO 157 Cb 0.01 -2.43 -0.15 0.00 0.04 0.00 0.00 34.50 31.97 3fy4 s PRO 157 CO 0.18 0.07 1.37 -2.30 0.04 0.00 0.00 177.00 176.36 3fy4 n PRO 158 N -0.84 1.70 0.00 0.56 -0.02 -1.26 -4.89 135.00 130.25 3fy4 n PRO 158 Ca 0.03 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 3fy4 n PRO 158 Cb 0.54 -2.24 0.52 0.00 -0.02 0.00 0.00 33.50 32.29 3fy4 n PRO 158 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fy4 n LEU 159 N 2.41 0.00 -3.77 2.45 4.32 -1.26 -4.73 117.00 116.42 3fy4 n LEU 159 Ca 0.14 0.37 -0.10 0.00 -0.02 0.00 0.00 56.01 56.41 3fy4 n LEU 159 Cb 0.27 -0.37 -0.05 0.00 -1.62 0.00 0.00 43.42 41.65 3fy4 n LEU 159 CO 0.62 -0.10 0.12 -0.94 -1.22 0.00 0.00 177.39 175.87 3fy4 s SER 160 N -2.74 -0.13 0.12 -1.43 1.04 -1.26 -4.97 113.70 104.33 3fy4 s SER 160 Ca 0.17 -0.55 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 3fy4 s SER 160 Cb 0.14 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.67 3fy4 s SER 160 CO 0.36 -0.91 1.59 0.22 0.98 0.00 0.00 173.24 175.48 3fy4 h TYR 161 N 2.40 -1.14 -0.45 5.02 3.20 -1.98 0.85 116.97 124.87 3fy4 h TYR 161 Ca -0.32 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.64 3fy4 h TYR 161 Cb 1.24 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 39.97 3fy4 h TYR 161 CO 0.36 -0.48 0.18 1.96 -1.64 0.00 0.00 178.16 178.55 3fy4 h GLN 162 N -0.55 0.36 -0.36 1.82 7.50 -1.98 0.46 115.11 122.37 3fy4 h GLN 162 Ca 0.05 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.20 3fy4 h GLN 162 Cb 0.64 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.06 3fy4 h GLN 162 CO -0.32 0.24 0.20 1.03 -1.50 0.00 0.00 178.83 178.48 3fy4 h SER 163 N 0.37 0.33 0.12 1.46 0.87 -1.78 -1.50 113.55 113.42 3fy4 h SER 163 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3fy4 h SER 163 Cb 0.17 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3fy4 h SER 163 CO -0.19 0.24 -0.06 0.15 -0.53 0.00 0.00 176.83 176.45 3fy4 h PHE 164 N 0.42 -0.15 -0.30 2.24 3.04 0.15 -2.12 116.94 120.21 3fy4 h PHE 164 Ca 0.14 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.18 3fy4 h PHE 164 Cb 0.01 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 3fy4 h PHE 164 CO -0.08 0.02 0.28 -0.07 -2.02 0.00 0.00 178.31 176.44 3fy4 h LEU 165 N -0.29 0.00 0.03 0.59 4.07 0.07 -0.74 115.31 119.03 3fy4 h LEU 165 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 3fy4 h LEU 165 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3fy4 h LEU 165 CO 0.03 0.00 -0.01 0.50 -1.08 0.00 0.00 178.44 177.87 3fy4 h LYS 166 N 0.00 -0.04 0.00 1.13 1.63 -0.91 -1.73 116.57 116.64 3fy4 h LYS 166 Ca 0.14 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 3fy4 h LYS 166 Cb 0.71 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 3fy4 h LYS 166 CO -0.00 0.63 -0.12 0.28 -3.45 0.00 0.00 179.45 176.79 3fy4 h VAL 167 N -0.92 1.05 0.13 2.00 2.07 -0.85 -3.14 116.25 116.59 3fy4 h VAL 167 Ca -0.00 -0.43 -0.30 0.00 0.82 0.00 0.00 66.70 66.79 3fy4 h VAL 167 Cb 0.69 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3fy4 h VAL 167 CO 0.01 0.12 -1.53 0.00 0.02 0.00 0.00 177.57 176.19 3fy4 h ALA 168 N 1.88 0.18 -0.83 1.67 0.00 -1.24 -3.49 119.26 117.43 3fy4 h ALA 168 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3fy4 h ALA 168 Cb 0.23 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fy4 h ALA 168 CO 0.02 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.57 3fy4 n GLY 169 N 1.78 1.37 3.70 0.00 0.00 -0.65 -4.64 105.19 106.75 3fy4 n GLY 169 Ca -0.25 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3fy4 n GLY 169 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fy4 s GLU 170 N 0.00 4.46 0.17 1.61 2.56 -1.26 -4.99 118.70 121.25 3fy4 s GLU 170 Ca 0.00 1.59 -0.31 0.00 0.00 0.00 0.00 54.97 56.26 3fy4 s GLU 170 Cb 0.00 -3.44 -0.09 0.00 2.00 0.00 0.00 34.13 32.60 3fy4 s GLU 170 CO 0.00 -0.22 1.36 -1.25 -0.56 0.00 0.00 175.26 174.58 3fy4 s PRO 171 N 1.34 4.35 -0.08 4.30 0.04 -1.26 -4.88 135.00 138.81 3fy4 s PRO 171 Ca 0.55 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 3fy4 s PRO 171 Cb -0.25 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3fy4 s PRO 171 CO 0.26 -0.35 1.01 -1.13 0.04 0.00 0.00 177.00 176.84 3fy4 n SER 172 N 3.17 0.77 0.00 6.66 3.41 -1.26 -1.51 113.62 124.86 3fy4 n SER 172 Ca 0.08 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 3fy4 n SER 172 Cb 0.42 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3fy4 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy4 h ALA 174 N 0.00 0.10 0.08 0.00 0.00 -1.65 -3.30 119.26 114.48 3fy4 h ALA 174 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fy4 h ALA 174 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fy4 h ALA 174 CO 0.00 -0.29 -0.04 0.87 0.00 0.00 0.00 179.25 179.79 3fy4 h LYS 175 N -0.07 -0.10 -3.44 0.00 1.79 -1.91 -3.48 116.57 109.37 3fy4 h LYS 175 Ca 0.02 0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.15 3fy4 h LYS 175 Cb 0.21 0.02 0.10 0.00 -1.58 0.00 0.00 32.23 30.98 3fy4 h LYS 175 CO -0.00 0.35 -0.62 0.45 -1.08 0.00 0.00 179.45 178.55 3fy4 n SER 176 N -4.80 -1.94 -4.07 0.86 2.88 -1.24 -4.92 113.62 100.39 3fy4 n SER 176 Ca -0.06 0.41 -0.34 0.00 -1.33 0.00 0.00 58.87 57.55 3fy4 n SER 176 Cb 0.24 -0.49 -0.12 0.00 -0.75 0.00 0.00 64.21 63.09 3fy4 n SER 176 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3fy4 s GLU 177 N -0.57 2.13 0.77 -1.46 2.56 -1.26 -4.97 118.70 115.89 3fy4 s GLU 177 Ca 0.33 -2.22 -0.15 0.00 0.00 0.00 0.00 54.97 52.93 3fy4 s GLU 177 Cb -0.31 -3.54 0.03 0.00 2.00 0.00 0.00 34.13 32.30 3fy4 s GLU 177 CO 0.37 -1.10 0.95 1.28 -0.56 0.00 0.00 175.26 176.20 3fy4 n LEU 178 N 3.89 3.17 -4.36 2.70 4.77 -1.26 -4.96 117.00 120.95 3fy4 n LEU 178 Ca 0.03 0.60 -0.45 0.00 -0.03 0.00 0.00 56.01 56.17 3fy4 n LEU 178 Cb 0.39 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.02 3fy4 n LEU 178 CO 0.32 -2.19 0.31 -0.69 -1.33 0.00 0.00 177.39 173.81 3fy4 s VAL 179 N -1.98 4.95 -0.55 4.08 1.01 -1.26 -4.93 120.40 121.72 3fy4 s VAL 179 Ca 0.71 -1.10 0.24 0.00 0.00 0.00 0.00 61.98 61.83 3fy4 s VAL 179 Cb -0.31 -4.41 0.13 0.00 0.00 0.00 0.00 36.38 31.78 3fy4 s VAL 179 CO 0.53 -1.00 1.39 0.24 0.00 0.00 0.00 175.10 176.26 3fy4 h MET 180 N 9.07 0.00 -3.50 2.72 0.00 -1.93 0.39 114.93 121.67 3fy4 h MET 180 Ca -0.29 0.00 -0.07 0.00 0.00 0.00 0.00 59.70 59.34 3fy4 h MET 180 Cb 1.09 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 32.63 3fy4 h MET 180 CO 1.06 0.00 0.00 -1.54 0.00 0.00 0.00 176.91 176.43 3fy4 s SER 181 N -4.80 0.08 -0.02 1.22 1.04 -1.26 -4.33 113.70 105.64 3fy4 s SER 181 Ca 0.06 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.49 3fy4 s SER 181 Cb 0.11 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.92 3fy4 s SER 181 CO 0.70 -1.31 -0.04 -0.31 0.98 0.00 0.00 173.24 173.26 3fy4 s TYR 182 N -3.51 0.52 0.21 5.02 1.51 -1.26 -5.02 117.35 114.82 3fy4 s TYR 182 Ca 0.21 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.12 3fy4 s TYR 182 Cb -0.02 -0.42 0.17 0.00 -0.11 0.00 0.00 41.96 41.57 3fy4 s TYR 182 CO 0.11 -0.08 1.61 0.66 -1.11 0.00 0.00 175.55 176.75 3fy4 h SER 183 N 6.55 0.80 -5.21 2.29 4.64 -2.02 -3.47 113.55 117.12 3fy4 h SER 183 Ca -0.34 -0.30 0.12 0.00 -0.47 0.00 0.00 61.79 60.81 3fy4 h SER 183 Cb 1.17 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.99 3fy4 h SER 183 CO 0.49 1.01 0.41 -0.94 -0.87 0.00 0.00 176.83 176.92 3fy4 s SER 184 N -6.76 -0.15 0.01 4.97 1.04 -1.26 -4.99 113.70 106.56 3fy4 s SER 184 Ca -0.09 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3fy4 s SER 184 Cb 0.13 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.84 3fy4 s SER 184 CO 0.84 -1.14 -0.02 -0.22 0.98 0.00 0.00 173.24 173.68 3fy4 s LEU 185 N -3.02 2.13 0.21 2.42 2.96 -1.10 -5.08 118.68 117.20 3fy4 s LEU 185 Ca 0.14 -0.28 -0.32 0.00 -0.22 0.00 0.00 54.13 53.44 3fy4 s LEU 185 Cb -0.03 0.05 -0.13 0.00 0.50 0.00 0.00 46.19 46.58 3fy4 s LEU 185 CO 0.05 -0.17 1.53 -2.65 -1.32 0.00 0.00 176.35 173.80 3fy4 n PRO 186 N 2.25 2.23 -0.67 0.98 -0.02 -1.26 -4.71 135.00 133.79 3fy4 n PRO 186 Ca -0.19 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 61.84 3fy4 n PRO 186 Cb 0.57 -2.54 0.22 0.00 -0.02 0.00 0.00 33.50 31.74 3fy4 n PRO 186 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fy4 n PRO 187 N 2.85 -3.33 -3.43 0.52 -0.04 -1.26 -4.23 135.00 126.08 3fy4 n PRO 187 Ca 0.14 -1.41 -0.30 0.00 -0.04 0.00 0.00 63.50 61.90 3fy4 n PRO 187 Cb 0.31 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 3fy4 n PRO 187 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fy4 s ILE 188 N -2.45 5.04 0.00 0.52 1.09 -1.26 -0.22 121.20 123.92 3fy4 s ILE 188 Ca 0.59 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 3fy4 s ILE 188 Cb -0.07 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 3fy4 s ILE 188 CO 0.47 -0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.70 3fy4 n GLY 189 N -0.62 0.85 3.72 6.18 0.00 -1.26 -4.84 105.19 109.22 3fy4 n GLY 189 Ca -0.02 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3fy4 n GLY 189 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fy4 s ASP 190 N -1.00 6.67 0.25 1.61 1.01 -1.26 -4.89 116.67 119.06 3fy4 s ASP 190 Ca 0.00 2.51 0.04 0.00 0.71 0.00 0.00 52.55 55.81 3fy4 s ASP 190 Cb 0.00 -2.59 0.28 0.00 1.01 0.00 0.00 42.92 41.62 3fy4 s ASP 190 CO 0.00 -0.76 1.59 0.40 0.21 0.00 0.00 175.17 176.61 3fy4 h ILE 191 N 4.09 1.36 0.00 0.77 2.04 -1.97 -3.47 117.51 120.34 3fy4 h ILE 191 Ca -0.42 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.57 3fy4 h ILE 191 Cb 1.21 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3fy4 h ILE 191 CO 0.89 0.55 0.00 0.61 0.00 0.00 0.00 178.15 180.21 3fy4 n GLY 192 N 0.16 1.80 0.24 5.37 0.00 -1.26 -3.46 105.19 108.05 3fy4 n GLY 192 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.39 3fy4 n GLY 192 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fy4 n ASN 193 N 2.44 0.59 -4.88 1.61 5.15 -1.26 -4.88 115.26 114.03 3fy4 n ASN 193 Ca 0.00 -2.02 -0.31 0.00 -0.60 0.00 0.00 54.58 51.65 3fy4 n ASN 193 Cb 0.00 -0.17 -0.05 0.00 -0.53 0.00 0.00 39.78 39.03 3fy4 n ASN 193 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fy4 s LEU 194 N -0.78 4.16 -0.97 1.20 1.02 -1.22 -4.97 118.68 117.11 3fy4 s LEU 194 Ca 0.04 0.82 -0.13 0.00 0.02 0.00 0.00 54.13 54.88 3fy4 s LEU 194 Cb 0.02 -3.59 -0.09 0.00 0.02 0.00 0.00 46.19 42.56 3fy4 s LEU 194 CO 0.02 -0.07 2.12 0.61 0.02 0.00 0.00 176.35 179.05 3fy4 n GLY 195 N -0.25 3.14 2.23 -3.19 0.00 -1.26 -4.92 105.19 100.95 3fy4 n GLY 195 Ca -0.00 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3fy4 n GLY 195 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fy4 n ILE 196 N 4.95 0.00 -4.10 -0.61 3.06 -1.26 -4.90 119.36 116.50 3fy4 n ILE 196 Ca 0.50 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.67 3fy4 n ILE 196 Cb 0.27 -0.30 -0.10 0.00 0.54 0.00 0.00 39.64 40.05 3fy4 n ILE 196 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3fy4 s SER 197 N 1.87 0.59 0.31 9.51 0.15 -1.24 -5.08 113.70 119.80 3fy4 s SER 197 Ca 0.63 -0.96 0.06 0.00 0.70 0.00 0.00 55.95 56.39 3fy4 s SER 197 Cb -0.90 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 3fy4 s SER 197 CO 0.49 -0.55 0.39 -1.61 1.20 0.00 0.00 173.24 173.16 3fy4 s GLU 198 N -3.70 3.11 -0.02 5.44 0.41 -1.26 -3.03 118.70 119.64 3fy4 s GLU 198 Ca 0.06 -1.01 -0.30 0.00 -0.41 0.00 0.00 54.97 53.31 3fy4 s GLU 198 Cb 0.06 -2.75 -0.07 0.00 -1.78 0.00 0.00 34.13 29.59 3fy4 s GLU 198 CO -0.08 0.18 1.75 0.08 -0.49 0.00 0.00 175.26 176.70 3fy4 s VAL 199 N -2.15 3.38 0.96 2.63 1.01 -1.26 -4.82 120.40 120.15 3fy4 s VAL 199 Ca 0.41 0.49 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 3fy4 s VAL 199 Cb -0.09 -3.32 0.17 0.00 0.00 0.00 0.00 36.38 33.15 3fy4 s VAL 199 CO 0.29 -0.04 1.12 -2.16 0.00 0.00 0.00 175.10 174.31 3fy4 s PRO 200 N 4.06 0.64 0.34 2.72 0.04 -1.26 -5.06 135.00 136.49 3fy4 s PRO 200 Ca 0.78 1.37 0.07 0.00 0.04 0.00 0.00 61.00 63.26 3fy4 s PRO 200 Cb -0.37 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3fy4 s PRO 200 CO 0.33 -2.83 0.46 -1.54 0.04 0.00 0.00 177.00 173.46 3fy4 s SER 201 N -2.68 5.86 0.21 6.66 1.04 -1.26 -4.98 113.70 118.56 3fy4 s SER 201 Ca 0.67 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 3fy4 s SER 201 Cb -0.23 -1.14 0.15 0.00 0.10 0.00 0.00 66.02 64.90 3fy4 s SER 201 CO 0.59 -0.46 1.81 -0.07 0.98 0.00 0.00 173.24 176.10 3fy4 h LEU 202 N 0.91 0.98 -0.51 2.42 3.38 -1.97 -0.67 115.31 119.84 3fy4 h LEU 202 Ca -0.45 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.41 3fy4 h LEU 202 Cb 1.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3fy4 h LEU 202 CO 0.53 0.81 0.34 -0.08 0.09 0.00 0.00 178.44 180.12 3fy4 h GLU 203 N 1.07 0.66 0.00 1.13 4.22 -1.93 -0.59 114.58 119.15 3fy4 h GLU 203 Ca 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.65 3fy4 h GLU 203 Cb 0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3fy4 h GLU 203 CO -0.04 0.44 -0.09 0.93 -2.18 0.00 0.00 179.01 178.07 3fy4 h GLU 204 N 0.68 0.00 -0.11 1.92 5.08 -1.70 0.63 114.58 121.09 3fy4 h GLU 204 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3fy4 h GLU 204 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3fy4 h GLU 204 CO -0.05 0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 3fy4 n LEU 205 N -3.95 0.95 0.00 1.33 7.99 -0.32 -4.90 117.00 118.10 3fy4 n LEU 205 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 56.01 55.56 3fy4 n LEU 205 Cb 0.18 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 3fy4 n LEU 205 CO 0.31 0.21 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 3fy4 n GLY 206 N 0.96 0.83 3.83 -0.72 0.00 0.21 -2.19 105.19 108.11 3fy4 n GLY 206 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3fy4 n GLY 206 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy4 s TYR 207 N -2.09 3.71 0.76 1.61 1.51 -0.63 -4.73 117.35 117.49 3fy4 s TYR 207 Ca 0.00 1.11 -0.11 0.00 -1.01 0.00 0.00 57.07 57.05 3fy4 s TYR 207 Cb 0.00 -2.38 0.05 0.00 -0.11 0.00 0.00 41.96 39.51 3fy4 s TYR 207 CO 0.00 0.55 1.09 0.15 -1.11 0.00 0.00 175.55 176.23 3fy4 s LYS 208 N -1.42 2.40 0.40 -0.62 1.02 -1.26 -4.05 119.74 116.20 3fy4 s LYS 208 Ca 0.31 0.68 0.12 0.00 0.02 0.00 0.00 55.97 57.10 3fy4 s LYS 208 Cb -0.17 -1.95 0.84 0.00 -0.52 0.00 0.00 37.83 36.02 3fy4 s LYS 208 CO 0.18 -1.41 1.91 -0.44 -0.92 0.00 0.00 175.35 174.66 3fy4 h ASP 209 N -0.94 0.05 1.85 2.83 3.32 -1.97 -2.27 116.42 119.29 3fy4 h ASP 209 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3fy4 h ASP 209 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3fy4 h ASP 209 CO 0.59 0.31 -0.10 -2.24 -1.72 0.00 0.00 179.24 176.08 3fy4 h ASP 210 N 0.05 0.00 0.00 6.45 2.03 -2.02 -3.06 116.42 119.88 3fy4 h ASP 210 Ca 0.01 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3fy4 h ASP 210 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 3fy4 h ASP 210 CO 0.03 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.63 3fy4 n GLU 211 N -2.98 0.88 -1.33 4.15 1.02 -0.86 -3.36 120.64 118.17 3fy4 n GLU 211 Ca 0.04 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.22 3fy4 n GLU 211 Cb 0.52 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.52 3fy4 n GLU 211 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fy4 n GLN 212 N -0.97 0.26 0.09 3.49 10.64 -1.16 -4.85 117.38 124.88 3fy4 n GLN 212 Ca 0.20 -2.19 -0.13 0.00 -1.83 0.00 0.00 57.00 53.05 3fy4 n GLN 212 Cb 0.09 -0.27 -0.09 0.00 -0.86 0.00 0.00 30.24 29.11 3fy4 n GLN 212 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3fy4 h ALA 213 N 0.98 0.27 -2.49 2.61 0.00 -1.61 -3.45 119.26 115.57 3fy4 h ALA 213 Ca -0.19 -0.82 -0.53 0.00 0.00 0.00 0.00 54.91 53.38 3fy4 h ALA 213 Cb 1.74 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 3fy4 h ALA 213 CO 0.08 0.96 -0.09 -0.51 0.00 0.00 0.00 179.25 179.69 3fy4 s ASP 214 N -7.04 6.62 -0.02 0.00 -0.00 -1.26 -5.09 116.67 109.88 3fy4 s ASP 214 Ca -0.04 0.95 0.02 0.00 -0.00 0.00 0.00 52.55 53.48 3fy4 s ASP 214 Cb 0.08 -2.24 0.00 0.00 -0.00 0.00 0.00 42.92 40.77 3fy4 s ASP 214 CO 0.86 -0.10 -0.07 0.26 -0.00 0.00 0.00 175.17 176.12 3fy4 s TRP 215 N -1.87 0.74 0.50 4.23 0.52 -1.26 -5.02 118.94 116.78 3fy4 s TRP 215 Ca 0.48 -0.16 -0.22 0.00 0.02 0.00 0.00 56.10 56.22 3fy4 s TRP 215 Cb -0.11 -0.53 -0.06 0.00 -1.15 0.00 0.00 33.47 31.62 3fy4 s TRP 215 CO 0.22 -0.07 1.20 -0.08 0.02 0.00 0.00 176.95 178.23 3fy4 s THR 216 N 0.16 2.89 -2.00 2.01 -1.32 -1.25 -4.88 115.64 111.25 3fy4 s THR 216 Ca -0.02 0.64 0.03 0.00 -1.21 0.00 0.00 61.69 61.13 3fy4 s THR 216 Cb -0.07 -3.31 0.08 0.00 -1.51 0.00 0.00 72.50 67.70 3fy4 s THR 216 CO 0.00 -0.04 0.81 -0.81 -2.21 0.00 0.00 174.62 172.38 3fy4 n PRO 217 N -0.81 0.68 -4.08 7.08 -0.04 -1.26 -4.69 135.00 131.88 3fy4 n PRO 217 Ca 0.09 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 3fy4 n PRO 217 Cb 0.48 -1.07 -0.15 0.00 -0.04 0.00 0.00 33.50 32.72 3fy4 n PRO 217 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fy4 s PHE 218 N -2.00 3.19 0.20 0.54 0.40 -1.26 -5.09 117.98 113.96 3fy4 s PHE 218 Ca 0.04 -2.22 -0.30 0.00 -0.60 0.00 0.00 56.93 53.86 3fy4 s PHE 218 Cb 0.02 -1.93 -0.08 0.00 0.51 0.00 0.00 43.02 41.54 3fy4 s PHE 218 CO 0.03 -0.87 1.19 1.03 0.70 0.00 0.00 175.22 177.30 3fy4 s ARG 219 N 1.13 4.51 0.73 0.44 3.00 -1.26 -4.89 118.95 122.61 3fy4 s ARG 219 Ca -0.07 1.88 -0.08 0.00 0.00 0.00 0.00 55.73 57.46 3fy4 s ARG 219 Cb -0.19 -3.23 0.07 0.00 0.00 0.00 0.00 34.95 31.60 3fy4 s ARG 219 CO -0.06 -0.05 1.05 0.20 0.00 0.00 0.00 175.30 176.44 3fy4 s GLY 220 N -0.04 1.67 0.00 -3.53 0.00 -1.26 -4.81 107.32 99.35 3fy4 s GLY 220 Ca 0.51 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3fy4 s GLY 220 CO 0.38 -0.44 0.00 0.61 0.00 0.00 0.00 173.10 173.65 3fy4 n GLY 221 N -3.02 3.33 0.34 0.20 0.00 -1.26 -4.29 105.19 100.49 3fy4 n GLY 221 Ca 0.08 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.40 3fy4 n GLY 221 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fy4 h GLU 222 N 0.00 0.76 0.43 1.61 4.81 -1.77 0.29 114.58 120.71 3fy4 h GLU 222 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3fy4 h GLU 222 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3fy4 h GLU 222 CO 0.00 0.50 -0.21 0.77 -0.73 0.00 0.00 179.01 179.35 3fy4 h SER 223 N 0.78 -0.49 -0.69 1.04 0.02 -1.89 -0.80 113.55 111.53 3fy4 h SER 223 Ca 0.24 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3fy4 h SER 223 Cb 0.01 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3fy4 h SER 223 CO -0.06 -0.25 0.45 -0.33 -1.14 0.00 0.00 176.83 175.50 3fy4 h GLU 224 N -0.70 0.68 0.75 3.45 4.39 -1.71 0.13 114.58 121.58 3fy4 h GLU 224 Ca -0.06 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3fy4 h GLU 224 Cb 0.51 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3fy4 h GLU 224 CO 0.10 0.45 -0.36 0.00 -1.16 0.00 0.00 179.01 178.04 3fy4 h ALA 225 N 1.63 -1.01 -0.17 3.43 0.00 -0.57 -0.53 119.26 122.04 3fy4 h ALA 225 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3fy4 h ALA 225 Cb 0.26 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3fy4 h ALA 225 CO -0.09 -1.02 -0.04 -0.07 0.00 0.00 0.00 179.25 178.03 3fy4 h LEU 226 N -1.11 0.22 -0.69 0.00 3.38 -0.90 0.19 115.31 116.41 3fy4 h LEU 226 Ca -0.10 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3fy4 h LEU 226 Cb 0.79 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3fy4 h LEU 226 CO 0.17 0.31 -0.54 0.50 0.09 0.00 0.00 178.44 178.97 3fy4 h LYS 227 N 0.24 0.31 0.11 1.13 3.64 -0.86 -2.81 116.57 118.32 3fy4 h LYS 227 Ca 0.05 -0.19 -0.27 0.00 -1.27 0.00 0.00 60.65 58.98 3fy4 h LYS 227 Cb 0.24 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3fy4 h LYS 227 CO 0.01 0.78 -1.22 -0.09 -2.27 0.00 0.00 179.45 176.65 3fy4 h ARG 228 N 0.24 0.23 -0.03 1.90 2.43 -0.21 -3.07 114.38 115.86 3fy4 h ARG 228 Ca 0.00 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3fy4 h ARG 228 Cb 1.03 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3fy4 h ARG 228 CO 0.09 1.18 -0.10 1.25 -1.51 0.00 0.00 179.97 180.88 3fy4 h LEU 229 N 0.06 0.04 0.21 3.80 5.85 -0.60 0.12 115.31 124.79 3fy4 h LEU 229 Ca -0.12 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3fy4 h LEU 229 Cb 1.94 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.97 3fy4 h LEU 229 CO 0.19 0.15 -0.10 0.74 -0.34 0.00 0.00 178.44 179.08 3fy4 h THR 230 N 0.05 0.86 -0.10 1.05 2.02 -1.50 -2.70 112.91 112.59 3fy4 h THR 230 Ca 0.01 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 3fy4 h THR 230 Cb 0.20 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3fy4 h THR 230 CO 0.01 0.17 -0.12 0.11 0.37 0.00 0.00 175.52 176.06 3fy4 h LYS 231 N -0.71 0.15 0.00 6.66 1.57 -1.35 -2.74 116.57 120.16 3fy4 h LYS 231 Ca -0.03 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3fy4 h LYS 231 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3fy4 h LYS 231 CO 0.05 0.29 -0.48 0.77 -0.57 0.00 0.00 179.45 179.51 3fy4 h SER 232 N 0.15 0.00 -0.09 0.86 0.02 -0.75 -3.29 113.55 110.45 3fy4 h SER 232 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3fy4 h SER 232 Cb 0.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3fy4 h SER 232 CO 0.02 0.48 -0.23 2.30 -1.14 0.00 0.00 176.83 178.26 3fy4 n ILE 233 N -3.48 2.19 0.03 3.27 -5.35 -1.02 -4.68 119.36 110.32 3fy4 n ILE 233 Ca 0.00 -2.75 -0.20 0.00 -0.27 0.00 0.00 62.75 59.54 3fy4 n ILE 233 Cb 0.60 -0.26 -0.11 0.00 -1.74 0.00 0.00 39.64 38.14 3fy4 n ILE 233 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3fy4 h SER 234 N 0.78 0.82 -0.86 7.28 4.64 -1.56 -3.37 113.55 121.29 3fy4 h SER 234 Ca 0.04 -0.74 -0.68 0.00 -0.47 0.00 0.00 61.79 59.94 3fy4 h SER 234 Cb 1.17 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 62.93 3fy4 h SER 234 CO 0.09 1.46 2.21 -0.67 -0.87 0.00 0.00 176.83 179.05 3fy4 n ASP 235 N -3.95 4.93 -0.09 4.97 4.64 -1.26 -4.79 116.55 121.00 3fy4 n ASP 235 Ca -0.11 -2.92 0.26 0.00 -1.38 0.00 0.00 54.79 50.64 3fy4 n ASP 235 Cb 0.83 -1.75 0.63 0.00 -1.04 0.00 0.00 41.12 39.79 3fy4 n ASP 235 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3fy4 h LYS 236 N 7.58 0.00 -0.01 -0.67 1.57 -1.96 0.18 116.57 123.26 3fy4 h LYS 236 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 3fy4 h LYS 236 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3fy4 h LYS 236 CO 1.46 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 180.29 3fy4 h ALA 237 N 1.10 0.02 -0.09 3.86 0.00 -1.95 -0.52 119.26 121.67 3fy4 h ALA 237 Ca 0.37 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3fy4 h ALA 237 Cb 2.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 3fy4 h ALA 237 CO -0.00 -0.11 -0.07 2.35 0.00 0.00 0.00 179.25 181.42 3fy4 h TRP 238 N -0.60 -0.17 -0.43 0.00 7.01 -1.08 0.12 115.95 120.79 3fy4 h TRP 238 Ca -0.00 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.04 3fy4 h TRP 238 Cb 0.72 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 3fy4 h TRP 238 CO 0.16 -0.11 0.22 0.28 -2.79 0.00 0.00 178.44 176.20 3fy4 h VAL 239 N -0.08 0.98 -0.34 2.65 2.07 -1.36 -1.09 116.25 119.08 3fy4 h VAL 239 Ca 0.06 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3fy4 h VAL 239 Cb 0.17 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3fy4 h VAL 239 CO -0.14 0.08 0.02 0.00 0.02 0.00 0.00 177.57 177.55 3fy4 h ALA 240 N 1.22 1.40 -0.48 1.67 0.00 -0.50 -2.70 119.26 119.88 3fy4 h ALA 240 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fy4 h ALA 240 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fy4 h ALA 240 CO -0.12 0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.64 3fy4 n ASN 241 N -4.30 2.92 -4.61 0.00 3.02 0.36 -1.33 115.26 111.31 3fy4 n ASN 241 Ca 0.02 -1.96 -0.52 0.00 -0.03 0.00 0.00 54.58 52.08 3fy4 n ASN 241 Cb 0.23 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 3fy4 n ASN 241 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3fy4 n PHE 242 N 1.10 1.65 -3.44 3.10 7.35 -0.46 -4.84 117.46 121.92 3fy4 n PHE 242 Ca 0.19 0.59 -0.22 0.00 -0.76 0.00 0.00 57.45 57.24 3fy4 n PHE 242 Cb 0.48 -2.37 -0.11 0.00 0.35 0.00 0.00 39.48 37.83 3fy4 n PHE 242 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3fy4 s GLU 243 N 0.97 0.40 0.18 -4.13 2.02 -1.26 -4.06 118.70 112.83 3fy4 s GLU 243 Ca 0.86 -0.63 -0.26 0.00 0.02 0.00 0.00 54.97 54.96 3fy4 s GLU 243 Cb -0.95 -0.92 0.03 0.00 0.10 0.00 0.00 34.13 32.40 3fy4 s GLU 243 CO 0.49 -1.10 1.54 -0.22 0.02 0.00 0.00 175.26 175.99 3fy4 h LYS 244 N 7.79 -0.00 -0.10 1.61 3.11 -1.70 -0.51 116.57 126.77 3fy4 h LYS 244 Ca -0.07 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.80 3fy4 h LYS 244 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.26 3fy4 h LYS 244 CO 0.32 -0.00 0.32 -1.35 -2.81 0.00 0.00 179.45 175.92 3fy4 h PRO 245 N -0.00 0.00 -0.00 1.90 0.11 -1.97 -1.38 132.00 130.65 3fy4 h PRO 245 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3fy4 h PRO 245 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3fy4 h PRO 245 CO -0.95 0.00 -0.07 1.63 -0.21 0.00 0.00 178.00 178.40 3fy4 n LYS 246 N -3.14 0.91 -1.56 1.05 5.02 -0.20 -4.93 118.16 115.31 3fy4 n LYS 246 Ca 0.00 -0.31 -0.33 0.00 -2.02 0.00 0.00 58.31 55.65 3fy4 n LYS 246 Cb 0.40 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 3fy4 n LYS 246 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3fy4 s GLY 247 N -2.30 2.17 -0.44 0.72 0.00 -0.52 -5.00 107.32 101.95 3fy4 s GLY 247 Ca 0.34 0.65 -0.16 0.00 0.00 0.00 0.00 44.72 45.56 3fy4 s GLY 247 CO 0.43 1.03 0.37 -0.35 0.00 0.00 0.00 173.10 174.58 3fy4 s ASP 248 N -2.43 6.14 0.00 1.64 3.68 -1.26 -4.96 116.67 119.48 3fy4 s ASP 248 Ca 0.69 -1.07 0.12 0.00 2.13 0.00 0.00 52.55 54.43 3fy4 s ASP 248 Cb -0.24 -2.18 0.55 0.00 -1.45 0.00 0.00 42.92 39.61 3fy4 s ASP 248 CO 0.44 -0.56 1.34 -0.81 0.13 0.00 0.00 175.17 175.71 3fy4 n PRO 249 N 5.26 0.08 0.02 4.34 -0.04 -1.26 -2.21 135.00 141.19 3fy4 n PRO 249 Ca -0.11 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 3fy4 n PRO 249 Cb 0.46 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 3fy4 n PRO 249 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fy4 n SER 250 N -1.40 0.63 -4.61 3.54 3.41 -1.26 -4.76 113.62 109.16 3fy4 n SER 250 Ca 0.04 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 57.98 3fy4 n SER 250 Cb 0.12 0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 64.79 3fy4 n SER 250 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy4 s ALA 251 N -3.17 3.11 0.00 7.33 0.00 -0.94 -4.61 121.76 123.48 3fy4 s ALA 251 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3fy4 s ALA 251 Cb 0.15 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3fy4 s ALA 251 CO 0.79 -2.23 0.00 1.97 0.00 0.00 0.00 175.76 176.30 3fy4 n PHE 252 N 9.04 0.00 -0.01 0.00 -1.74 -1.26 -4.01 117.46 119.48 3fy4 n PHE 252 Ca 0.19 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 57.17 3fy4 n PHE 252 Cb 0.46 0.00 0.49 0.00 1.52 0.00 0.00 39.48 41.96 3fy4 n PHE 252 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 3fy4 h LEU 253 N 0.00 0.35 -6.50 5.98 3.38 -2.03 -3.30 115.31 113.20 3fy4 h LEU 253 Ca 0.00 -0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3fy4 h LEU 253 Cb 0.98 -0.08 -0.37 0.00 0.09 0.00 0.00 40.66 41.28 3fy4 h LEU 253 CO 0.00 0.24 -0.83 -0.75 0.09 0.00 0.00 178.44 177.18 3fy4 s LYS 254 N -5.38 0.61 0.19 1.13 2.20 -1.26 -5.13 119.74 112.09 3fy4 s LYS 254 Ca -0.08 -1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 53.94 3fy4 s LYS 254 Cb 0.18 -1.19 -0.16 0.00 -1.51 0.00 0.00 37.83 35.15 3fy4 s LYS 254 CO 0.73 -1.23 0.49 -2.30 -0.36 0.00 0.00 175.35 172.68 3fy4 n PRO 255 N 3.93 0.00 0.19 4.03 -0.02 -1.25 -4.84 135.00 137.05 3fy4 n PRO 255 Ca 0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 3fy4 n PRO 255 Cb 0.40 -0.95 0.38 0.00 -0.02 0.00 0.00 33.50 33.30 3fy4 n PRO 255 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy4 h ALA 256 N 0.94 1.22 -5.06 3.55 0.00 -1.77 -3.45 119.26 114.69 3fy4 h ALA 256 Ca -0.27 -0.34 -0.43 0.00 0.00 0.00 0.00 54.91 53.87 3fy4 h ALA 256 Cb 1.37 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3fy4 h ALA 256 CO 0.54 0.46 -0.26 0.25 0.00 0.00 0.00 179.25 180.25 3fy4 n THR 257 N -3.85 0.00 0.21 0.00 -2.24 -1.26 -4.90 114.28 102.24 3fy4 n THR 257 Ca -0.01 -1.60 0.09 0.00 -2.27 0.00 0.00 64.05 60.25 3fy4 n THR 257 Cb 0.44 0.06 0.39 0.00 -2.10 0.00 0.00 70.33 69.11 3fy4 n THR 257 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fy4 h THR 258 N 0.87 0.61 -5.95 4.28 1.35 -1.94 -3.48 112.91 108.65 3fy4 h THR 258 Ca -0.27 -1.27 -0.41 0.00 -0.55 0.00 0.00 66.41 63.91 3fy4 h THR 258 Cb 0.89 1.86 0.10 0.00 -1.73 0.00 0.00 68.15 69.27 3fy4 h THR 258 CO 0.43 0.26 -0.71 0.52 -0.25 0.00 0.00 175.52 175.77 3fy4 n VAL 259 N -3.38 -3.01 1.04 6.82 0.31 -1.26 -4.87 118.33 113.98 3fy4 n VAL 259 Ca 0.00 -0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.40 3fy4 n VAL 259 Cb 0.47 -3.79 0.15 0.00 -0.91 0.00 0.00 33.84 29.76 3fy4 n VAL 259 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3fy4 n MET 260 N -4.87 0.23 -0.28 5.55 2.81 -1.26 -4.46 117.12 114.84 3fy4 n MET 260 Ca -0.01 -0.16 0.09 0.00 -1.81 0.00 0.00 57.70 55.82 3fy4 n MET 260 Cb 0.56 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.81 3fy4 n MET 260 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3fy4 h SER 261 N 0.38 0.13 0.46 7.83 4.64 -1.99 0.28 113.55 125.28 3fy4 h SER 261 Ca 0.00 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 3fy4 h SER 261 Cb 0.52 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3fy4 h SER 261 CO 0.00 -0.03 -0.38 1.55 -0.87 0.00 0.00 176.83 177.10 3fy4 h PRO 262 N 0.32 0.00 0.00 4.77 0.13 -1.84 -1.39 132.00 133.98 3fy4 h PRO 262 Ca 0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.41 3fy4 h PRO 262 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3fy4 h PRO 262 CO -0.53 0.38 -0.88 1.88 -0.23 0.00 0.00 178.00 178.61 3fy4 h TYR 263 N 0.00 0.36 -0.27 1.56 -1.99 -1.28 -3.05 116.97 112.30 3fy4 h TYR 263 Ca -0.00 -0.20 -0.18 0.00 2.00 0.00 0.00 58.73 60.34 3fy4 h TYR 263 Cb 0.71 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.40 3fy4 h TYR 263 CO 0.00 1.01 -0.54 -0.07 -0.00 0.00 0.00 178.16 178.56 3fy4 h LEU 264 N 0.14 0.95 -0.24 3.88 3.38 -1.09 0.22 115.31 122.55 3fy4 h LEU 264 Ca -0.05 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.43 3fy4 h LEU 264 Cb 1.51 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 3fy4 h LEU 264 CO 0.14 1.31 -0.06 0.50 0.09 0.00 0.00 178.44 180.42 3fy4 h LYS 265 N 0.63 -0.00 -0.01 1.13 3.11 -1.24 -1.85 116.57 118.34 3fy4 h LYS 265 Ca 0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3fy4 h LYS 265 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 3fy4 h LYS 265 CO 0.12 -0.00 -0.04 1.19 -2.81 0.00 0.00 179.45 177.91 3fy4 n PHE 266 N -5.22 0.00 -1.00 1.91 3.72 -1.16 -4.81 117.46 110.90 3fy4 n PHE 266 Ca -0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3fy4 n PHE 266 Cb 0.15 -0.06 -0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3fy4 n PHE 266 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fy4 n GLY 267 N 1.15 0.48 0.30 1.37 0.00 -0.69 -1.02 105.19 106.77 3fy4 n GLY 267 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3fy4 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy4 s LEU 269 N -9.35 2.38 -0.03 0.00 2.96 -0.85 -4.41 118.68 109.37 3fy4 s LEU 269 Ca -0.08 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.15 3fy4 s LEU 269 Cb 0.17 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3fy4 s LEU 269 CO 0.74 0.27 1.07 -0.55 -1.32 0.00 0.00 176.35 176.56 3fy4 s SER 270 N -0.29 7.22 0.50 3.68 0.15 -1.26 -4.49 113.70 119.21 3fy4 s SER 270 Ca 0.01 1.71 0.29 0.00 0.70 0.00 0.00 55.95 58.66 3fy4 s SER 270 Cb -0.13 -2.56 1.13 0.00 -1.71 0.00 0.00 66.02 62.75 3fy4 s SER 270 CO 0.03 -0.42 1.90 0.77 1.20 0.00 0.00 173.24 176.72 3fy4 h SER 271 N 7.03 0.00 -0.05 5.45 4.64 -1.85 -1.93 113.55 126.84 3fy4 h SER 271 Ca -0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 3fy4 h SER 271 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3fy4 h SER 271 CO 0.82 0.08 -0.11 0.03 -0.87 0.00 0.00 176.83 176.78 3fy4 h ARG 272 N 0.00 0.17 -0.44 4.77 3.08 -1.90 -1.29 114.38 118.77 3fy4 h ARG 272 Ca -0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3fy4 h ARG 272 Cb 0.63 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3fy4 h ARG 272 CO 0.01 0.70 0.28 -0.92 -1.07 0.00 0.00 179.97 178.97 3fy4 h TYR 273 N -0.33 0.57 -0.65 3.04 3.20 -1.91 -2.12 116.97 118.76 3fy4 h TYR 273 Ca 0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3fy4 h TYR 273 Cb 0.70 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 3fy4 h TYR 273 CO 0.12 0.38 0.38 0.35 -1.64 0.00 0.00 178.16 177.74 3fy4 h PHE 274 N 0.59 0.70 -0.21 -3.82 -0.00 -1.36 -0.16 116.94 112.67 3fy4 h PHE 274 Ca 0.16 0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.19 3fy4 h PHE 274 Cb -0.03 -0.22 -0.04 0.00 -0.00 0.00 0.00 35.95 35.66 3fy4 h PHE 274 CO -0.04 0.36 -0.05 -0.92 -0.00 0.00 0.00 178.31 177.66 3fy4 h TYR 275 N 0.71 -0.11 0.13 0.41 3.20 -0.70 -1.69 116.97 118.92 3fy4 h TYR 275 Ca 0.28 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3fy4 h TYR 275 Cb 0.12 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3fy4 h TYR 275 CO -0.07 -0.09 -0.06 1.96 -1.64 0.00 0.00 178.16 178.26 3fy4 h GLN 276 N 0.00 -0.16 -0.89 1.82 4.20 -0.91 -0.10 115.11 119.07 3fy4 h GLN 276 Ca 0.10 0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.06 3fy4 h GLN 276 Cb 0.15 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 27.82 3fy4 h GLN 276 CO -0.21 0.04 0.20 0.00 -0.67 0.00 0.00 178.83 178.18 3fy4 h LEU 278 N 0.16 1.02 -1.12 0.00 3.38 -0.96 -2.68 115.31 115.10 3fy4 h LEU 278 Ca 0.56 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3fy4 h LEU 278 Cb 1.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3fy4 h LEU 278 CO -0.71 1.16 0.54 -0.61 0.09 0.00 0.00 178.44 178.91 3fy4 h GLN 279 N 0.86 1.14 -0.55 1.13 5.75 0.23 -0.13 115.11 123.54 3fy4 h GLN 279 Ca 0.12 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 3fy4 h GLN 279 Cb 0.73 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 3fy4 h GLN 279 CO 0.06 0.77 -0.09 -0.91 -2.65 0.00 0.00 178.83 176.01 3fy4 h ASN 280 N 1.16 1.01 -0.25 -0.69 2.35 -0.37 -2.53 115.58 116.27 3fy4 h ASN 280 Ca 0.31 -0.32 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 3fy4 h ASN 280 Cb -0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 37.99 3fy4 h ASN 280 CO -0.06 1.11 -0.27 0.40 -1.65 0.00 0.00 177.43 176.96 3fy4 h ILE 281 N 0.91 1.28 0.00 2.81 2.04 -1.11 -2.39 117.51 121.05 3fy4 h ILE 281 Ca 0.15 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3fy4 h ILE 281 Cb 0.65 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3fy4 h ILE 281 CO 0.04 0.46 -0.15 1.88 0.00 0.00 0.00 178.15 180.38 3fy4 h TYR 282 N 0.64 0.00 0.03 1.37 0.99 -0.75 -3.05 116.97 116.20 3fy4 h TYR 282 Ca 0.08 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.49 3fy4 h TYR 282 Cb 0.79 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.47 3fy4 h TYR 282 CO 0.04 0.15 -1.88 0.36 -0.00 0.00 0.00 178.16 176.83 3fy4 n LYS 283 N -3.80 0.67 0.00 4.88 2.85 -0.98 -3.95 118.16 117.83 3fy4 n LYS 283 Ca -0.02 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 3fy4 n LYS 283 Cb 0.26 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 3fy4 n LYS 283 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fy4 n ASP 284 N -3.13 0.40 -4.19 -5.58 9.92 -0.91 -4.76 116.55 108.30 3fy4 n ASP 284 Ca -0.23 -1.94 -0.14 0.00 -0.53 0.00 0.00 54.79 51.94 3fy4 n ASP 284 Cb 1.06 -0.20 -0.11 0.00 -0.64 0.00 0.00 41.12 41.23 3fy4 n ASP 284 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3fy4 s VAL 285 N -1.59 0.98 0.00 2.53 0.11 -1.18 -5.05 120.40 116.20 3fy4 s VAL 285 Ca 0.00 -1.78 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 3fy4 s VAL 285 Cb 0.00 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 3fy4 s VAL 285 CO 0.00 -0.64 0.02 0.29 -3.33 0.00 0.00 175.10 171.44 3fy4 n LYS 286 N 0.30 0.00 -4.18 1.54 4.01 -1.26 -4.92 118.16 113.65 3fy4 n LYS 286 Ca -0.14 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.41 3fy4 n LYS 286 Cb 0.59 -0.41 -0.06 0.00 -0.51 0.00 0.00 35.03 34.64 3fy4 n LYS 286 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3fy4 s LYS 287 N -0.04 2.60 0.26 1.97 1.02 -1.26 -4.99 119.74 119.31 3fy4 s LYS 287 Ca 0.00 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.70 3fy4 s LYS 287 Cb 0.00 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3fy4 s LYS 287 CO 0.00 0.43 0.61 -3.38 -0.92 0.00 0.00 175.35 172.08 3fy4 s HIS 288 N -1.97 0.05 0.92 3.18 -3.43 -1.26 -4.85 115.29 107.93 3fy4 s HIS 288 Ca 0.30 -0.46 -0.12 0.00 -0.80 0.00 0.00 55.06 53.98 3fy4 s HIS 288 Cb -0.08 0.47 0.14 0.00 -1.43 0.00 0.00 32.58 31.68 3fy4 s HIS 288 CO 0.21 -1.12 1.10 0.95 -2.00 0.00 0.00 174.74 173.88 3fy4 s THR 289 N -3.96 2.44 0.17 -5.38 -4.23 -0.44 -5.02 115.64 99.21 3fy4 s THR 289 Ca 0.16 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 3fy4 s THR 289 Cb -0.03 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 3fy4 s THR 289 CO 0.07 -0.19 -0.11 -0.44 -0.54 0.00 0.00 174.62 173.41 3fy4 s SER 290 N -3.54 2.02 0.73 3.99 0.01 -1.26 -4.72 113.70 110.93 3fy4 s SER 290 Ca 0.64 -1.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.72 3fy4 s SER 290 Cb -0.17 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.05 3fy4 s SER 290 CO 0.56 -0.29 1.25 -2.16 0.41 0.00 0.00 173.24 173.01 3fy4 s PRO 291 N -3.72 2.07 0.29 12.44 0.04 -1.26 -1.26 135.00 143.61 3fy4 s PRO 291 Ca 0.19 1.90 0.15 0.00 0.04 0.00 0.00 61.00 63.27 3fy4 s PRO 291 Cb 0.02 -1.81 0.32 0.00 0.04 0.00 0.00 34.50 33.07 3fy4 s PRO 291 CO 0.03 -1.92 1.56 -1.00 0.04 0.00 0.00 177.00 175.71 3fy4 h PRO 292 N -0.22 0.00 0.00 0.56 0.13 -2.00 -3.44 132.00 127.03 3fy4 h PRO 292 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 3fy4 h PRO 292 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3fy4 h PRO 292 CO 0.49 0.54 -0.28 -0.39 -0.23 0.00 0.00 178.00 178.13 3fy4 h VAL 293 N 0.00 1.14 -3.84 1.56 -1.51 -1.80 -3.38 116.25 108.42 3fy4 h VAL 293 Ca -0.01 -0.99 -0.55 0.00 -1.23 0.00 0.00 66.70 63.93 3fy4 h VAL 293 Cb 1.20 1.54 0.18 0.00 -2.13 0.00 0.00 31.29 32.08 3fy4 h VAL 293 CO 0.07 0.28 0.11 -1.54 -1.23 0.00 0.00 177.57 175.26 3fy4 n SER 294 N -4.11 0.44 -0.32 4.19 3.41 -0.39 -1.86 113.62 114.99 3fy4 n SER 294 Ca -0.02 0.63 -0.01 0.00 -0.26 0.00 0.00 58.87 59.21 3fy4 n SER 294 Cb 0.34 -1.42 0.12 0.00 -0.26 0.00 0.00 64.21 62.99 3fy4 n SER 294 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fy4 h LEU 295 N -0.47 0.92 -1.23 1.04 5.85 -1.83 0.46 115.31 120.03 3fy4 h LEU 295 Ca -0.47 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3fy4 h LEU 295 Cb 1.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3fy4 h LEU 295 CO 0.46 0.62 0.04 0.25 -0.34 0.00 0.00 178.44 179.47 3fy4 h LEU 296 N 1.07 0.53 -2.69 2.25 6.46 -1.93 -0.80 115.31 120.20 3fy4 h LEU 296 Ca 0.36 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3fy4 h LEU 296 Cb 0.05 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 3fy4 h LEU 296 CO -0.13 0.57 -0.01 1.23 -0.62 0.00 0.00 178.44 179.48 3fy4 h GLY 297 N 0.83 0.00 1.24 3.75 0.00 -0.36 -1.14 103.07 107.39 3fy4 h GLY 297 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 3fy4 h GLY 297 CO 0.00 0.00 -0.48 1.46 0.00 0.00 0.00 176.54 177.53 3fy4 h GLN 298 N 0.00 0.81 -0.11 4.80 1.08 -0.18 -2.61 115.11 118.90 3fy4 h GLN 298 Ca -0.00 -0.47 -0.05 0.00 -1.45 0.00 0.00 58.65 56.68 3fy4 h GLN 298 Cb 0.02 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3fy4 h GLN 298 CO 0.00 1.10 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.76 3fy4 h LEU 299 N 0.64 0.16 -1.10 1.46 3.38 -1.24 -1.86 115.31 116.76 3fy4 h LEU 299 Ca 0.03 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fy4 h LEU 299 Cb 1.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3fy4 h LEU 299 CO 0.11 0.34 -0.28 -0.07 0.09 0.00 0.00 178.44 178.62 3fy4 h LEU 300 N 0.16 0.28 -0.64 1.67 -0.00 -1.26 -1.93 115.31 113.60 3fy4 h LEU 300 Ca 0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 3fy4 h LEU 300 Cb 0.38 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 3fy4 h LEU 300 CO 0.02 0.57 0.33 -0.50 -0.00 0.00 0.00 178.44 178.86 3fy4 h TRP 301 N 0.25 0.90 -0.46 1.13 4.06 -1.02 0.50 115.95 121.30 3fy4 h TRP 301 Ca 0.04 -0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.01 3fy4 h TRP 301 Cb 0.64 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 28.46 3fy4 h TRP 301 CO 0.01 0.66 0.19 -0.09 -3.56 0.00 0.00 178.44 175.66 3fy4 h ARG 302 N 0.88 0.38 -0.64 0.49 2.43 -1.24 -0.65 114.38 116.03 3fy4 h ARG 302 Ca 0.22 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3fy4 h ARG 302 Cb 0.08 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3fy4 h ARG 302 CO -0.03 0.25 0.14 0.93 -1.51 0.00 0.00 179.97 179.75 3fy4 h GLU 303 N 0.39 1.01 -0.26 0.20 4.39 -0.62 -1.80 114.58 117.89 3fy4 h GLU 303 Ca 0.21 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3fy4 h GLU 303 Cb 0.18 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3fy4 h GLU 303 CO -0.19 0.91 0.15 0.35 -1.16 0.00 0.00 179.01 179.07 3fy4 h PHE 304 N 0.96 0.36 -0.12 4.33 3.57 0.11 -1.76 116.94 124.39 3fy4 h PHE 304 Ca 0.20 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.53 3fy4 h PHE 304 Cb 0.36 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3fy4 h PHE 304 CO 0.03 0.30 -0.63 0.74 -2.23 0.00 0.00 178.31 176.52 3fy4 h PHE 305 N 0.32 0.57 0.07 0.41 -1.00 -1.08 -1.88 116.94 114.35 3fy4 h PHE 305 Ca 0.09 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.65 3fy4 h PHE 305 Cb 0.05 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.51 3fy4 h PHE 305 CO -0.04 0.95 -0.03 1.88 -1.61 0.00 0.00 178.31 179.46 3fy4 h TYR 306 N 0.33 -0.09 -0.41 -0.55 0.05 -1.19 0.30 116.97 115.41 3fy4 h TYR 306 Ca -0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3fy4 h TYR 306 Cb 1.17 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 3fy4 h TYR 306 CO 0.04 0.01 0.21 1.15 -1.05 0.00 0.00 178.16 178.52 3fy4 h THR 307 N -0.17 1.17 -0.27 -2.88 2.02 -1.35 -0.29 112.91 111.15 3fy4 h THR 307 Ca -0.01 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3fy4 h THR 307 Cb 0.14 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3fy4 h THR 307 CO 0.02 0.18 -0.14 0.74 0.37 0.00 0.00 175.52 176.68 3fy4 h THR 308 N 0.52 1.23 0.15 3.16 2.02 -1.18 -2.62 112.91 116.20 3fy4 h THR 308 Ca 0.14 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3fy4 h THR 308 Cb 0.10 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3fy4 h THR 308 CO -0.02 0.33 -0.07 0.00 0.37 0.00 0.00 175.52 176.13 3fy4 h ALA 309 N 1.43 -0.20 -0.88 6.16 0.00 -0.05 -2.98 119.26 122.75 3fy4 h ALA 309 Ca 0.08 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.97 3fy4 h ALA 309 Cb 0.50 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3fy4 h ALA 309 CO 0.03 -0.40 0.58 0.35 0.00 0.00 0.00 179.25 179.81 3fy4 h PHE 310 N -0.63 0.56 -0.55 0.00 3.57 -0.96 -1.57 116.94 117.36 3fy4 h PHE 310 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3fy4 h PHE 310 Cb 0.47 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3fy4 h PHE 310 CO 0.05 0.17 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 3fy4 n GLY 311 N -1.51 1.72 3.09 2.40 0.00 -1.00 -4.86 105.19 105.04 3fy4 n GLY 311 Ca 0.18 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 3fy4 n GLY 311 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fy4 s THR 312 N -1.27 2.11 0.35 2.61 2.01 -0.59 -4.80 115.64 116.05 3fy4 s THR 312 Ca 0.40 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 3fy4 s THR 312 Cb 0.21 -2.09 -0.10 0.00 0.01 0.00 0.00 72.50 70.53 3fy4 s THR 312 CO 0.28 0.20 1.32 -2.84 -0.69 0.00 0.00 174.62 172.89 3fy4 s PRO 313 N 1.19 4.25 -1.91 4.92 0.02 -1.26 -2.33 135.00 139.88 3fy4 s PRO 313 Ca -0.03 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3fy4 s PRO 313 Cb -0.17 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3fy4 s PRO 313 CO -0.08 -0.28 0.00 0.09 -0.33 0.00 0.00 177.00 176.40 3fy4 n ASN 314 N 0.62 -5.59 -0.28 2.53 4.13 -1.26 -4.39 115.26 111.02 3fy4 n ASN 314 Ca 0.01 0.21 0.30 0.00 1.68 0.00 0.00 54.58 56.78 3fy4 n ASN 314 Cb 0.42 -4.77 0.69 0.00 -1.54 0.00 0.00 39.78 34.57 3fy4 n ASN 314 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3fy4 h PHE 315 N 0.00 0.16 -0.79 3.10 3.57 -1.78 -1.71 116.94 119.49 3fy4 h PHE 315 Ca -0.45 0.01 -0.46 0.00 3.53 0.00 0.00 57.97 60.59 3fy4 h PHE 315 Cb 1.34 -0.05 -0.24 0.00 2.79 0.00 0.00 35.95 39.80 3fy4 h PHE 315 CO 0.57 0.02 0.59 -0.40 -2.23 0.00 0.00 178.31 176.86 3fy4 n ASP 316 N -4.31 4.99 -3.54 0.41 3.85 -1.26 -4.89 116.55 111.80 3fy4 n ASP 316 Ca 0.23 -3.36 -0.09 0.00 -0.71 0.00 0.00 54.79 50.86 3fy4 n ASP 316 Cb 1.07 -0.86 -0.02 0.00 -1.35 0.00 0.00 41.12 39.96 3fy4 n ASP 316 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3fy4 s LYS 317 N -2.77 1.19 -0.11 0.11 -2.85 -0.64 -5.07 119.74 109.61 3fy4 s LYS 317 Ca 0.48 -0.51 -0.02 0.00 -1.00 0.00 0.00 55.97 54.92 3fy4 s LYS 317 Cb 0.39 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.65 3fy4 s LYS 317 CO 0.05 -0.53 0.00 1.98 0.10 0.00 0.00 175.35 176.95 3fy4 h MET 318 N 2.00 0.00 -6.34 1.78 1.85 -1.91 -3.39 114.93 108.92 3fy4 h MET 318 Ca -0.27 0.00 -0.60 0.00 -0.61 0.00 0.00 59.70 58.22 3fy4 h MET 318 Cb 1.27 0.00 0.03 0.00 0.43 0.00 0.00 31.60 33.33 3fy4 h MET 318 CO 0.32 0.03 1.02 1.63 -0.40 0.00 0.00 176.91 179.51 3fy4 n LYS 319 N -4.76 2.20 -0.92 0.39 5.02 -1.26 -1.31 118.16 117.53 3fy4 n LYS 319 Ca -0.01 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3fy4 n LYS 319 Cb 0.04 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 3fy4 n LYS 319 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fy4 n GLY 320 N 4.13 0.67 3.57 0.72 0.00 -1.26 -4.99 105.19 108.02 3fy4 n GLY 320 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3fy4 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fy4 s ASN 321 N -2.30 6.41 0.60 1.61 3.84 -0.42 -4.67 114.94 120.00 3fy4 s ASN 321 Ca 0.00 0.11 0.30 0.00 0.21 0.00 0.00 52.86 53.48 3fy4 s ASN 321 Cb 0.00 -2.32 1.73 0.00 -0.55 0.00 0.00 41.25 40.11 3fy4 s ASN 321 CO 0.00 -0.58 2.12 -0.09 -2.79 0.00 0.00 177.10 175.76 3fy4 h ARG 322 N 8.47 0.00 -0.14 0.43 2.43 -1.88 -2.57 114.38 121.11 3fy4 h ARG 322 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3fy4 h ARG 322 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3fy4 h ARG 322 CO 0.83 0.00 0.00 0.44 -1.51 0.00 0.00 179.97 179.73 3fy4 n ILE 323 N -3.71 0.54 -3.74 1.20 -5.35 -1.26 -4.99 119.36 102.06 3fy4 n ILE 323 Ca 0.01 -0.77 -0.37 0.00 -0.27 0.00 0.00 62.75 61.35 3fy4 n ILE 323 Cb 0.29 0.81 -0.12 0.00 -1.74 0.00 0.00 39.64 38.88 3fy4 n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fy4 n LYS 325 N 4.81 1.83 -2.71 0.00 3.00 0.20 -4.85 118.16 120.43 3fy4 n LYS 325 Ca -0.16 0.66 -0.42 0.00 -0.00 0.00 0.00 58.31 58.39 3fy4 n LYS 325 Cb 0.52 -2.33 -0.03 0.00 0.00 0.00 0.00 35.03 33.18 3fy4 n LYS 325 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3fy4 s GLN 326 N 0.15 3.18 -0.06 1.64 -1.52 -1.26 -4.91 119.66 116.87 3fy4 s GLN 326 Ca 0.75 -0.49 0.04 0.00 -1.95 0.00 0.00 55.36 53.70 3fy4 s GLN 326 Cb -0.73 -4.18 -0.02 0.00 -0.22 0.00 0.00 33.01 27.86 3fy4 s GLN 326 CO 0.46 -1.93 -0.16 0.42 -0.25 0.00 0.00 175.29 173.83 3fy4 s ILE 327 N 4.80 2.85 -1.46 1.08 1.01 -1.26 -4.84 121.20 123.38 3fy4 s ILE 327 Ca 0.29 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 3fy4 s ILE 327 Cb -0.12 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.27 3fy4 s ILE 327 CO 0.14 0.58 2.29 -0.81 0.00 0.00 0.00 174.94 177.13 3fy4 n PRO 328 N 2.61 3.10 -0.49 2.79 -0.04 -1.26 -4.98 135.00 136.73 3fy4 n PRO 328 Ca -0.17 -2.68 -0.28 0.00 -0.04 0.00 0.00 63.50 60.33 3fy4 n PRO 328 Cb 0.52 -3.16 0.26 0.00 -0.04 0.00 0.00 33.50 31.08 3fy4 n PRO 328 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3fy4 s TRP 329 N 2.61 1.27 0.09 0.54 0.52 -1.26 -4.97 118.94 117.74 3fy4 s TRP 329 Ca 0.49 1.21 0.04 0.00 0.02 0.00 0.00 56.10 57.86 3fy4 s TRP 329 Cb 0.14 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 3fy4 s TRP 329 CO -0.07 -3.98 0.03 -0.80 0.02 0.00 0.00 176.95 172.14 3fy4 s ASN 330 N -2.43 5.19 -0.05 2.95 0.01 -0.15 -4.84 114.94 115.62 3fy4 s ASN 330 Ca 0.69 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.76 3fy4 s ASN 330 Cb -0.26 -1.29 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 3fy4 s ASN 330 CO 0.65 0.17 -0.19 -0.70 -1.51 0.00 0.00 177.10 175.52 3fy4 s GLU 331 N -2.34 2.53 -0.35 -0.60 -6.30 -1.26 -2.00 118.70 108.38 3fy4 s GLU 331 Ca 0.27 -0.79 -0.02 0.00 -2.50 0.00 0.00 54.97 51.93 3fy4 s GLU 331 Cb -0.12 -2.29 0.19 0.00 0.00 0.00 0.00 34.13 31.91 3fy4 s GLU 331 CO 0.20 0.51 0.87 0.34 0.02 0.00 0.00 175.26 177.19 3fy4 s ASP 332 N -0.45 -0.85 0.50 -1.70 3.68 -1.26 -5.03 116.67 111.55 3fy4 s ASP 332 Ca 0.05 -0.37 0.29 0.00 2.13 0.00 0.00 52.55 54.65 3fy4 s ASP 332 Cb -0.12 1.14 1.37 0.00 -1.45 0.00 0.00 42.92 43.87 3fy4 s ASP 332 CO 0.01 -0.10 1.84 1.12 0.13 0.00 0.00 175.17 178.17 3fy4 h HIS 333 N 6.26 0.21 0.52 -5.34 2.07 -1.98 -1.07 115.15 115.83 3fy4 h HIS 333 Ca -0.01 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.50 3fy4 h HIS 333 Cb 1.21 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 31.13 3fy4 h HIS 333 CO 0.00 0.03 -0.25 0.00 -3.07 0.00 0.00 177.93 174.64 3fy4 h ALA 334 N 1.53 -0.71 -0.41 6.11 0.00 -1.99 -0.86 119.26 122.94 3fy4 h ALA 334 Ca 0.51 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3fy4 h ALA 334 Cb 1.76 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 3fy4 h ALA 334 CO -0.09 -0.84 -0.14 0.52 0.00 0.00 0.00 179.25 178.70 3fy4 h MET 335 N -0.82 0.75 -0.66 0.00 2.86 -1.79 -1.33 114.93 113.94 3fy4 h MET 335 Ca -0.07 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 3fy4 h MET 335 Cb 0.59 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3fy4 h MET 335 CO 0.12 0.86 0.33 1.25 1.06 0.00 0.00 176.91 180.53 3fy4 h LEU 336 N 0.68 0.85 -0.35 1.22 5.85 -1.19 0.41 115.31 122.77 3fy4 h LEU 336 Ca 0.11 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3fy4 h LEU 336 Cb 0.62 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3fy4 h LEU 336 CO 0.04 0.73 0.11 0.00 -0.34 0.00 0.00 178.44 178.98 3fy4 h ALA 337 N 1.15 0.46 -0.28 1.25 0.00 -0.87 0.51 119.26 121.48 3fy4 h ALA 337 Ca 0.23 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3fy4 h ALA 337 Cb 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3fy4 h ALA 337 CO -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.22 3fy4 h ALA 338 N 0.95 0.16 0.49 0.00 0.00 -0.75 -0.20 119.26 119.92 3fy4 h ALA 338 Ca 0.11 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fy4 h ALA 338 Cb 0.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fy4 h ALA 338 CO -0.00 -0.49 -0.24 2.35 0.00 0.00 0.00 179.25 180.87 3fy4 h TRP 339 N -0.03 -0.61 -0.90 0.00 7.01 -0.65 0.35 115.95 121.12 3fy4 h TRP 339 Ca 0.14 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.29 3fy4 h TRP 339 Cb 0.25 0.20 -0.10 0.00 -2.10 0.00 0.00 29.16 27.41 3fy4 h TRP 339 CO -0.29 -0.31 0.49 -0.09 -2.79 0.00 0.00 178.44 175.44 3fy4 h ARG 340 N -0.83 0.65 -0.60 2.65 2.43 0.31 -1.68 114.38 117.30 3fy4 h ARG 340 Ca -0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3fy4 h ARG 340 Cb 0.58 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3fy4 h ARG 340 CO 0.11 0.43 0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 3fy4 n ASP 341 N -4.84 3.23 -2.73 -3.80 8.00 -0.11 -4.95 116.55 111.36 3fy4 n ASP 341 Ca 0.19 -2.01 -0.11 0.00 0.71 0.00 0.00 54.79 53.57 3fy4 n ASP 341 Cb 0.47 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 3fy4 n ASP 341 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fy4 n GLY 342 N 1.45 -0.41 1.86 0.44 0.00 -0.63 -4.91 105.19 102.98 3fy4 n GLY 342 Ca 0.20 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.40 3fy4 n GLY 342 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fy4 n LYS 343 N -2.88 1.52 0.15 1.61 4.76 0.12 -4.80 118.16 118.65 3fy4 n LYS 343 Ca -0.10 -3.13 0.03 0.00 -2.87 0.00 0.00 58.31 52.24 3fy4 n LYS 343 Cb 0.60 -1.24 0.14 0.00 -1.84 0.00 0.00 35.03 32.69 3fy4 n LYS 343 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3fy4 h THR 344 N 4.55 0.95 0.00 -0.18 1.35 -1.88 -3.45 112.91 114.24 3fy4 h THR 344 Ca -0.05 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 3fy4 h THR 344 Cb 1.47 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 3fy4 h THR 344 CO 0.23 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3fy4 n GLY 345 N 0.82 0.54 3.17 5.82 0.00 -1.26 -0.13 105.19 114.15 3fy4 n GLY 345 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3fy4 n GLY 345 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy4 s TYR 346 N -2.19 3.49 0.19 1.61 1.51 -1.26 -4.23 117.35 116.47 3fy4 s TYR 346 Ca 0.00 -2.25 -0.03 0.00 -1.01 0.00 0.00 57.07 53.79 3fy4 s TYR 346 Cb 0.00 -3.40 0.37 0.00 -0.11 0.00 0.00 41.96 38.83 3fy4 s TYR 346 CO 0.00 -0.94 1.01 -2.30 -1.11 0.00 0.00 175.55 172.20 3fy4 n PRO 347 N 4.31 -0.06 0.18 -1.71 -0.02 -1.26 -0.32 135.00 136.13 3fy4 n PRO 347 Ca 0.00 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.33 3fy4 n PRO 347 Cb 0.41 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 3fy4 n PRO 347 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3fy4 h TRP 348 N 0.00 -0.52 0.11 6.00 2.91 -1.87 0.48 115.95 123.06 3fy4 h TRP 348 Ca 0.34 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.35 3fy4 h TRP 348 Cb 0.60 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 3fy4 h TRP 348 CO -0.43 -0.30 -0.05 0.82 -1.03 0.00 0.00 178.44 177.44 3fy4 h ILE 349 N -0.47 0.94 -0.77 2.65 1.08 -0.91 -2.30 117.51 117.73 3fy4 h ILE 349 Ca -0.02 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3fy4 h ILE 349 Cb 0.41 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 3fy4 h ILE 349 CO 0.00 0.04 0.48 0.44 -0.69 0.00 0.00 178.15 178.42 3fy4 h ASP 350 N -0.23 0.91 -0.07 1.72 3.45 -0.86 -1.41 116.42 119.93 3fy4 h ASP 350 Ca -0.02 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.40 3fy4 h ASP 350 Cb 0.18 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3fy4 h ASP 350 CO 0.02 0.68 0.03 0.00 -1.57 0.00 0.00 179.24 178.41 3fy4 h ALA 351 N 1.48 0.09 -0.41 3.45 0.00 0.14 -1.92 119.26 122.09 3fy4 h ALA 351 Ca 0.28 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3fy4 h ALA 351 Cb -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3fy4 h ALA 351 CO -0.06 -0.35 0.17 0.82 0.00 0.00 0.00 179.25 179.83 3fy4 h ILE 352 N -0.01 0.91 0.00 0.00 2.04 -1.06 -1.48 117.51 117.91 3fy4 h ILE 352 Ca 0.02 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3fy4 h ILE 352 Cb 0.13 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3fy4 h ILE 352 CO -0.00 0.06 -0.04 0.24 0.00 0.00 0.00 178.15 178.41 3fy4 h MET 353 N 0.34 0.00 0.01 2.37 2.86 -1.09 0.09 114.93 119.51 3fy4 h MET 353 Ca 0.18 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.57 3fy4 h MET 353 Cb 0.14 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.82 3fy4 h MET 353 CO -0.17 0.04 -1.02 0.28 1.06 0.00 0.00 176.91 177.09 3fy4 h VAL 354 N 0.00 1.32 -0.08 -2.22 2.07 -0.50 -2.78 116.25 114.05 3fy4 h VAL 354 Ca -0.00 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 65.14 3fy4 h VAL 354 Cb 0.07 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3fy4 h VAL 354 CO 0.00 0.71 -0.15 -0.61 0.02 0.00 0.00 177.57 177.55 3fy4 h GLN 355 N 0.33 0.13 -0.13 1.57 4.15 -0.23 0.64 115.11 121.57 3fy4 h GLN 355 Ca -0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3fy4 h GLN 355 Cb 1.67 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.34 3fy4 h GLN 355 CO 0.19 0.28 0.08 1.25 -1.93 0.00 0.00 178.83 178.71 3fy4 h LEU 356 N 0.12 0.15 -0.26 -2.39 5.85 -0.84 0.12 115.31 118.05 3fy4 h LEU 356 Ca 0.03 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3fy4 h LEU 356 Cb 0.34 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3fy4 h LEU 356 CO 0.02 0.11 -0.31 0.25 -0.34 0.00 0.00 178.44 178.17 3fy4 h LEU 357 N 0.17 0.73 0.05 2.25 5.85 -1.12 -0.25 115.31 123.00 3fy4 h LEU 357 Ca 0.05 -0.49 -0.15 0.00 0.84 0.00 0.00 57.88 58.13 3fy4 h LEU 357 Cb -0.01 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.82 3fy4 h LEU 357 CO -0.01 1.08 -0.61 0.11 -0.34 0.00 0.00 178.44 178.66 3fy4 h LYS 358 N 0.40 0.32 0.00 1.25 1.79 -0.83 -3.37 116.57 116.13 3fy4 h LYS 358 Ca 0.04 -0.42 -0.28 0.00 -2.18 0.00 0.00 60.65 57.81 3fy4 h LYS 358 Cb 0.89 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.63 3fy4 h LYS 358 CO 0.08 1.13 -1.85 0.91 -1.08 0.00 0.00 179.45 178.63 3fy4 n TRP 359 N -4.23 0.69 -1.05 -1.35 7.02 0.39 -3.74 117.44 115.17 3fy4 n TRP 359 Ca -0.12 0.25 -0.02 0.00 -1.02 0.00 0.00 57.50 56.60 3fy4 n TRP 359 Cb 0.70 -1.10 -0.01 0.00 -2.42 0.00 0.00 31.31 28.49 3fy4 n TRP 359 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fy4 n GLY 360 N 1.57 0.52 3.57 6.99 0.00 -0.11 -4.60 105.19 113.14 3fy4 n GLY 360 Ca -0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 3fy4 n GLY 360 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fy4 s TRP 361 N -1.96 -0.71 0.17 1.61 -0.00 -1.26 0.13 118.94 116.92 3fy4 s TRP 361 Ca 0.00 1.55 -0.07 0.00 -0.00 0.00 0.00 56.10 57.57 3fy4 s TRP 361 Cb 0.00 0.32 -0.02 0.00 -0.00 0.00 0.00 33.47 33.77 3fy4 s TRP 361 CO 0.00 -0.47 0.24 -1.64 -0.00 0.00 0.00 176.95 175.08 3fy4 s MET 362 N -0.30 1.14 0.43 5.86 -1.94 -1.26 -4.57 119.30 118.67 3fy4 s MET 362 Ca -0.05 -1.26 -0.23 0.00 -1.71 0.00 0.00 55.69 52.44 3fy4 s MET 362 Cb -0.03 0.35 -0.09 0.00 2.01 0.00 0.00 34.83 37.08 3fy4 s MET 362 CO 0.05 -0.41 1.07 -1.58 -0.01 0.00 0.00 175.02 174.14 3fy4 s HIS 363 N -4.00 3.13 0.28 -0.03 2.46 -1.26 -4.83 115.29 111.04 3fy4 s HIS 363 Ca 0.21 1.61 -0.04 0.00 0.47 0.00 0.00 55.06 57.30 3fy4 s HIS 363 Cb 0.04 -3.16 0.57 0.00 -0.13 0.00 0.00 32.58 29.90 3fy4 s HIS 363 CO 0.02 -0.85 1.58 1.25 -2.47 0.00 0.00 174.74 174.27 3fy4 h HIS 364 N 2.20 -0.25 0.00 3.88 2.76 -1.99 0.47 115.15 122.22 3fy4 h HIS 364 Ca -0.49 0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 57.68 3fy4 h HIS 364 Cb 1.22 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 3fy4 h HIS 364 CO 0.57 -0.40 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.38 3fy4 h LEU 365 N 0.02 0.00 -0.43 0.26 4.07 -1.95 -1.23 115.31 116.06 3fy4 h LEU 365 Ca 0.51 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.31 3fy4 h LEU 365 Cb 0.93 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 3fy4 h LEU 365 CO -0.92 0.35 -0.43 0.00 -1.08 0.00 0.00 178.44 176.37 3fy4 h ALA 366 N 1.65 0.60 -0.42 1.53 0.00 -0.43 -2.28 119.26 119.92 3fy4 h ALA 366 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3fy4 h ALA 366 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3fy4 h ALA 366 CO 0.05 0.68 0.09 0.00 0.00 0.00 0.00 179.25 180.06 3fy4 h ARG 367 N 0.68 0.67 -0.15 0.00 3.08 -0.90 -2.83 114.38 114.94 3fy4 h ARG 367 Ca 0.05 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 59.98 3fy4 h ARG 367 Cb 1.01 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 3fy4 h ARG 367 CO 0.10 0.69 -0.34 0.45 -1.07 0.00 0.00 179.97 179.80 3fy4 h HIS 368 N 0.54 -0.94 -0.57 3.04 3.86 -1.10 -0.78 115.15 119.20 3fy4 h HIS 368 Ca 0.13 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.49 3fy4 h HIS 368 Cb 0.33 0.44 -0.09 0.00 1.06 0.00 0.00 27.41 29.14 3fy4 h HIS 368 CO 0.02 -0.41 0.05 0.00 0.86 0.00 0.00 177.93 178.44 3fy4 h VAL 370 N 0.16 1.45 -0.42 0.00 -1.51 -1.24 -1.70 116.25 112.99 3fy4 h VAL 370 Ca 0.30 -2.44 -0.10 0.00 -1.23 0.00 0.00 66.70 63.22 3fy4 h VAL 370 Cb 0.46 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 3fy4 h VAL 370 CO -0.45 0.72 -0.14 0.00 -1.23 0.00 0.00 177.57 176.47 3fy4 h ALA 371 N 0.97 0.58 0.48 5.19 0.00 -0.64 -1.86 119.26 123.98 3fy4 h ALA 371 Ca -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3fy4 h ALA 371 Cb 1.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3fy4 h ALA 371 CO 0.13 0.50 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 3fy4 h PHE 373 N -0.78 -0.62 -0.25 0.00 3.57 -1.25 0.14 116.94 117.76 3fy4 h PHE 373 Ca -0.07 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3fy4 h PHE 373 Cb 0.55 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3fy4 h PHE 373 CO -0.01 -0.33 -0.06 1.25 -2.23 0.00 0.00 178.31 176.93 3fy4 h LEU 374 N -0.09 0.36 0.00 0.59 7.12 -1.29 -0.31 115.31 121.69 3fy4 h LEU 374 Ca 0.27 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.21 3fy4 h LEU 374 Cb 0.51 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 3fy4 h LEU 374 CO -0.66 0.46 0.00 0.35 -0.13 0.00 0.00 178.44 178.46 3fy4 n THR 375 N -4.29 0.00 0.92 1.05 -2.24 -0.71 -0.74 114.28 108.28 3fy4 n THR 375 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3fy4 n THR 375 Cb 0.25 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.06 3fy4 n THR 375 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3fy4 n ARG 376 N 0.00 0.05 0.05 -0.78 -4.01 -1.21 0.10 116.66 110.86 3fy4 n ARG 376 Ca 0.00 0.04 -0.22 0.00 -1.04 0.00 0.00 57.85 56.64 3fy4 n ARG 376 Cb 0.00 -1.55 -0.15 0.00 -3.04 0.00 0.00 32.46 27.72 3fy4 n ARG 376 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 3fy4 h GLY 377 N 4.85 0.38 0.00 2.89 0.00 -0.95 -3.40 103.07 106.83 3fy4 h GLY 377 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.37 3fy4 h GLY 377 CO 0.00 0.84 0.00 1.22 0.00 0.00 0.00 176.54 178.60 3fy4 n ASP 378 N -3.95 -0.37 0.12 0.19 8.00 -0.59 -3.73 116.55 116.23 3fy4 n ASP 378 Ca -0.19 0.37 0.05 0.00 0.71 0.00 0.00 54.79 55.73 3fy4 n ASP 378 Cb 0.92 0.51 0.02 0.00 -0.02 0.00 0.00 41.12 42.55 3fy4 n ASP 378 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fy4 h LEU 379 N 0.00 0.00 1.44 0.64 3.38 -1.24 -3.42 115.31 116.11 3fy4 h LEU 379 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3fy4 h LEU 379 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 3fy4 h LEU 379 CO 0.00 0.34 -0.59 0.33 0.09 0.00 0.00 178.44 178.60 3fy4 n PHE 380 N -3.03 -1.76 -3.15 1.13 7.35 0.29 -4.87 117.46 113.41 3fy4 n PHE 380 Ca -0.01 0.41 -0.37 0.00 -0.76 0.00 0.00 57.45 56.72 3fy4 n PHE 380 Cb 0.69 -4.40 -0.06 0.00 0.35 0.00 0.00 39.48 36.05 3fy4 n PHE 380 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3fy4 s ILE 381 N -3.15 4.60 0.18 -2.13 -1.09 0.08 -0.98 121.20 118.72 3fy4 s ILE 381 Ca 0.24 1.30 -0.32 0.00 -2.23 0.00 0.00 60.65 59.64 3fy4 s ILE 381 Cb -0.10 -3.92 -0.16 0.00 -1.58 0.00 0.00 42.46 36.70 3fy4 s ILE 381 CO 0.29 0.38 1.15 1.57 -1.23 0.00 0.00 174.94 177.10 3fy4 n HIS 382 N 1.20 1.30 0.29 3.97 -0.00 -0.84 -4.30 115.22 116.83 3fy4 n HIS 382 Ca -0.06 0.68 0.13 0.00 0.46 0.00 0.00 57.72 58.94 3fy4 n HIS 382 Cb 0.50 -2.28 0.63 0.00 -0.12 0.00 0.00 29.99 28.73 3fy4 n HIS 382 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 3fy4 h TRP 383 N 3.26 0.00 0.00 1.57 5.08 -1.94 -1.78 115.95 122.15 3fy4 h TRP 383 Ca -0.43 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.49 3fy4 h TRP 383 Cb 1.34 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.50 3fy4 h TRP 383 CO 0.53 0.00 -0.24 0.93 -1.28 0.00 0.00 178.44 178.39 3fy4 h GLU 384 N 0.00 0.00 0.06 0.12 5.08 -1.98 -0.71 114.58 117.16 3fy4 h GLU 384 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3fy4 h GLU 384 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3fy4 h GLU 384 CO 0.00 0.24 -1.10 1.96 -1.00 0.00 0.00 179.01 179.11 3fy4 h GLN 385 N 0.00 0.45 -0.38 2.33 7.50 -1.67 -1.99 115.11 121.36 3fy4 h GLN 385 Ca -0.00 -0.57 -0.11 0.00 0.50 0.00 0.00 58.65 58.47 3fy4 h GLN 385 Cb 0.67 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.37 3fy4 h GLN 385 CO 0.03 1.22 -0.19 0.78 -1.50 0.00 0.00 178.83 179.17 3fy4 h GLY 386 N 1.02 0.86 0.98 3.46 0.00 -1.54 -2.44 103.07 105.41 3fy4 h GLY 386 Ca -0.13 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.47 3fy4 h GLY 386 CO 0.20 0.70 0.59 -0.09 0.00 0.00 0.00 176.54 177.94 3fy4 h ARG 387 N 0.59 1.08 -0.25 4.80 1.12 -1.15 -1.20 114.38 119.37 3fy4 h ARG 387 Ca 0.08 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.85 3fy4 h ARG 387 Cb 0.74 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 3fy4 h ARG 387 CO 0.06 0.71 -0.01 -0.44 -3.11 0.00 0.00 179.97 177.18 3fy4 h ASP 388 N 1.11 0.43 -0.68 -3.80 3.45 -1.12 0.94 116.42 116.75 3fy4 h ASP 388 Ca 0.36 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 57.52 3fy4 h ASP 388 Cb 0.04 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 38.65 3fy4 h ASP 388 CO -0.11 0.65 0.43 0.58 -1.57 0.00 0.00 179.24 179.21 3fy4 h VAL 389 N 0.21 1.11 -0.16 -1.35 2.07 -0.98 -1.37 116.25 115.78 3fy4 h VAL 389 Ca 0.07 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3fy4 h VAL 389 Cb 0.43 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3fy4 h VAL 389 CO 0.01 0.15 -0.36 -0.26 0.02 0.00 0.00 177.57 177.14 3fy4 h PHE 390 N 0.85 0.39 -0.44 1.57 -1.00 -1.15 -1.97 116.94 115.19 3fy4 h PHE 390 Ca 0.27 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 3fy4 h PHE 390 Cb -0.01 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 3fy4 h PHE 390 CO -0.04 0.66 0.19 1.49 -1.61 0.00 0.00 178.31 179.00 3fy4 h GLU 391 N 0.29 0.62 0.00 1.51 4.81 0.32 -1.62 114.58 120.50 3fy4 h GLU 391 Ca 0.03 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 58.83 3fy4 h GLU 391 Cb 0.77 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 3fy4 h GLU 391 CO 0.06 0.50 -2.23 2.89 -0.73 0.00 0.00 179.01 179.51 3fy4 n ARG 392 N -4.38 0.68 0.10 1.92 1.85 -0.97 -4.55 116.66 111.30 3fy4 n ARG 392 Ca 0.03 0.07 -0.15 0.00 -1.00 0.00 0.00 57.85 56.80 3fy4 n ARG 392 Cb 0.14 -1.59 -0.12 0.00 -1.05 0.00 0.00 32.46 29.85 3fy4 n ARG 392 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3fy4 h LEU 393 N 0.00 0.42 -9.66 2.89 4.07 -1.35 0.29 115.31 111.98 3fy4 h LEU 393 Ca -0.49 -0.42 -0.53 0.00 0.08 0.00 0.00 57.88 56.52 3fy4 h LEU 393 Cb 2.18 -0.14 0.03 0.00 1.08 0.00 0.00 40.66 43.82 3fy4 h LEU 393 CO 0.04 1.31 0.69 -0.76 -1.08 0.00 0.00 178.44 178.64 3fy4 s LEU 394 N -7.25 4.40 0.00 1.67 1.43 -0.61 -4.38 118.68 113.94 3fy4 s LEU 394 Ca -0.04 2.43 0.28 0.00 -1.03 0.00 0.00 54.13 55.77 3fy4 s LEU 394 Cb 0.08 -3.61 1.13 0.00 0.03 0.00 0.00 46.19 43.82 3fy4 s LEU 394 CO 0.88 -0.59 1.84 2.30 0.23 0.00 0.00 176.35 181.01 3fy4 n ILE 395 N 2.93 0.00 -0.89 -0.59 -5.35 0.12 -2.81 119.36 112.77 3fy4 n ILE 395 Ca 0.08 -0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.63 3fy4 n ILE 395 Cb 0.42 -0.34 0.27 0.00 -1.74 0.00 0.00 39.64 38.26 3fy4 n ILE 395 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3fy4 n ASP 396 N -1.44 4.09 -4.34 7.28 5.68 -1.26 -4.72 116.55 121.84 3fy4 n ASP 396 Ca 0.08 -2.89 -0.58 0.00 -0.50 0.00 0.00 54.79 50.90 3fy4 n ASP 396 Cb 0.32 -0.54 -0.10 0.00 -1.14 0.00 0.00 41.12 39.66 3fy4 n ASP 396 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3fy4 n SER 397 N -0.20 1.20 -3.96 -1.12 2.88 -1.12 -4.85 113.62 106.45 3fy4 n SER 397 Ca 0.21 0.63 -0.30 0.00 -1.33 0.00 0.00 58.87 58.09 3fy4 n SER 397 Cb 0.89 -1.01 -0.16 0.00 -0.75 0.00 0.00 64.21 63.19 3fy4 n SER 397 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3fy4 s ASP 398 N 6.19 3.81 0.19 -3.46 2.15 -1.26 -5.02 116.67 119.27 3fy4 s ASP 398 Ca 1.16 -1.14 -0.24 0.00 0.43 0.00 0.00 52.55 52.76 3fy4 s ASP 398 Cb -1.31 -1.21 0.09 0.00 -0.30 0.00 0.00 42.92 40.19 3fy4 s ASP 398 CO 0.62 -0.22 1.56 -0.25 -0.17 0.00 0.00 175.17 176.71 3fy4 h TRP 399 N 7.95 -1.34 0.26 -5.34 7.01 -1.98 0.49 115.95 123.00 3fy4 h TRP 399 Ca -0.19 0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 3fy4 h TRP 399 Cb 1.07 0.70 0.00 0.00 -2.10 0.00 0.00 29.16 28.84 3fy4 h TRP 399 CO 0.51 -0.40 -0.13 0.00 -2.79 0.00 0.00 178.44 175.63 3fy4 h ALA 400 N 0.88 -0.35 -0.21 2.65 0.00 -1.96 -2.52 119.26 117.75 3fy4 h ALA 400 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3fy4 h ALA 400 Cb 0.54 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fy4 h ALA 400 CO -0.86 -0.65 0.03 0.82 0.00 0.00 0.00 179.25 178.59 3fy4 h ILE 401 N -0.44 1.23 -0.95 0.00 2.04 -1.75 -1.95 117.51 115.69 3fy4 h ILE 401 Ca -0.04 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3fy4 h ILE 401 Cb 0.33 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3fy4 h ILE 401 CO 0.06 0.24 0.60 -1.13 0.00 0.00 0.00 178.15 177.92 3fy4 h ASN 402 N 0.14 1.11 -0.07 1.72 -1.24 -0.08 -0.51 115.58 116.65 3fy4 h ASN 402 Ca 0.06 -0.04 -0.24 0.00 0.71 0.00 0.00 56.30 56.79 3fy4 h ASN 402 Cb 0.33 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 39.12 3fy4 h ASN 402 CO 0.01 0.82 -0.90 0.78 -1.29 0.00 0.00 177.43 176.85 3fy4 h ASN 403 N 1.29 0.92 0.17 1.15 2.35 -1.43 -2.03 115.58 118.00 3fy4 h ASN 403 Ca 0.34 -0.66 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3fy4 h ASN 403 Cb -0.11 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 37.98 3fy4 h ASN 403 CO -0.07 1.46 -0.08 1.23 -1.65 0.00 0.00 177.43 178.32 3fy4 h GLY 404 N 0.52 -0.24 1.72 2.83 0.00 -1.15 -1.76 103.07 104.98 3fy4 h GLY 404 Ca -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3fy4 h GLY 404 CO 0.18 -0.09 0.07 3.43 0.00 0.00 0.00 176.54 180.13 3fy4 h ASN 405 N -0.29 0.33 -0.32 0.19 4.21 -1.14 -1.08 115.58 117.49 3fy4 h ASN 405 Ca -0.02 -0.03 -0.18 0.00 1.21 0.00 0.00 56.30 57.27 3fy4 h ASN 405 Cb 0.23 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3fy4 h ASN 405 CO 0.04 0.34 -0.50 -0.50 -1.29 0.00 0.00 177.43 175.52 3fy4 h TRP 406 N 0.37 1.11 -0.04 1.19 4.06 -1.15 -1.17 115.95 120.32 3fy4 h TRP 406 Ca 0.09 -0.38 -0.07 0.00 2.06 0.00 0.00 58.89 60.60 3fy4 h TRP 406 Cb 0.14 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 3fy4 h TRP 406 CO 0.00 1.21 -0.28 0.52 -3.56 0.00 0.00 178.44 176.33 3fy4 h MET 407 N 0.70 0.06 0.48 0.49 2.86 -0.89 -1.59 114.93 117.05 3fy4 h MET 407 Ca 0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3fy4 h MET 407 Cb 1.10 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3fy4 h MET 407 CO 0.11 0.35 -0.23 2.35 1.06 0.00 0.00 176.91 180.55 3fy4 h TRP 408 N 0.06 -0.60 0.00 -0.22 2.91 -0.93 0.13 115.95 117.29 3fy4 h TRP 408 Ca 0.01 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3fy4 h TRP 408 Cb 0.54 0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.38 3fy4 h TRP 408 CO 0.00 -0.28 -0.07 -0.07 -1.03 0.00 0.00 178.44 176.98 3fy4 h LEU 409 N -1.03 0.00 -0.46 0.65 -0.00 -1.15 -0.32 115.31 113.01 3fy4 h LEU 409 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3fy4 h LEU 409 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3fy4 h LEU 409 CO 0.11 0.07 -0.17 -1.54 -0.00 0.00 0.00 178.44 176.91 3fy4 n SER 410 N -3.63 0.88 -2.70 -0.43 3.41 -0.60 -4.58 113.62 105.97 3fy4 n SER 410 Ca -0.02 -0.86 -0.19 0.00 -0.26 0.00 0.00 58.87 57.53 3fy4 n SER 410 Cb 0.19 0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 3fy4 n SER 410 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy4 n SER 412 N -1.99 0.69 -3.49 0.00 7.64 0.40 -4.81 113.62 112.07 3fy4 n SER 412 Ca -0.08 0.30 -0.12 0.00 1.01 0.00 0.00 58.87 59.98 3fy4 n SER 412 Cb 0.60 0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 64.22 3fy4 n SER 412 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3fy4 s SER 413 N -5.58 -0.50 0.00 6.43 0.15 -1.03 0.58 113.70 113.76 3fy4 s SER 413 Ca -0.04 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.81 3fy4 s SER 413 Cb 0.09 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 3fy4 s SER 413 CO 0.82 -0.71 0.00 0.49 1.20 0.00 0.00 173.24 175.04 3fy4 n PHE 414 N 0.06 0.00 -4.24 3.44 3.72 -1.26 -3.74 117.46 115.44 3fy4 n PHE 414 Ca -0.14 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.92 3fy4 n PHE 414 Cb 0.62 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.04 3fy4 n PHE 414 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3fy4 s PHE 415 N 0.00 3.10 -0.06 1.38 2.19 -1.26 -5.01 117.98 118.31 3fy4 s PHE 415 Ca 0.00 -0.20 0.09 0.00 0.33 0.00 0.00 56.93 57.15 3fy4 s PHE 415 Cb 0.00 -2.01 0.14 0.00 -1.31 0.00 0.00 43.02 39.84 3fy4 s PHE 415 CO 0.00 0.00 1.04 0.66 1.83 0.00 0.00 175.22 178.75 3fy4 n TYR 416 N 3.62 0.00 -2.78 10.12 4.02 -1.26 -4.31 117.16 126.57 3fy4 n TYR 416 Ca -0.17 -0.67 -0.43 0.00 -0.01 0.00 0.00 57.90 56.62 3fy4 n TYR 416 Cb 0.52 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 3fy4 n TYR 416 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3fy4 n GLN 417 N -0.88 3.71 0.00 -0.72 6.02 -1.26 -4.83 117.38 119.42 3fy4 n GLN 417 Ca 0.08 -3.94 0.05 0.00 -0.01 0.00 0.00 57.00 53.18 3fy4 n GLN 417 Cb 0.49 -2.83 0.27 0.00 1.02 0.00 0.00 30.24 29.20 3fy4 n GLN 417 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 3fy4 n PHE 418 N 3.73 0.00 1.02 1.08 1.16 -1.26 -2.12 117.46 121.06 3fy4 n PHE 418 Ca 0.34 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 56.04 3fy4 n PHE 418 Cb 0.38 -0.24 0.32 0.00 -1.61 0.00 0.00 39.48 38.33 3fy4 n PHE 418 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3fy4 n ASN 419 N -1.24 2.30 -4.37 5.98 0.23 -1.26 -4.52 115.26 112.39 3fy4 n ASN 419 Ca 0.05 -1.79 -0.45 0.00 -0.53 0.00 0.00 54.58 51.86 3fy4 n ASN 419 Cb 0.08 -0.10 -0.01 0.00 -2.08 0.00 0.00 39.78 37.66 3fy4 n ASN 419 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3fy4 s ARG 420 N -1.79 3.96 -0.17 -3.83 3.52 -0.90 -5.02 118.95 114.72 3fy4 s ARG 420 Ca 0.34 -2.77 -0.06 0.00 -0.13 0.00 0.00 55.73 53.11 3fy4 s ARG 420 Cb 0.20 -4.63 -0.04 0.00 -1.56 0.00 0.00 34.95 28.92 3fy4 s ARG 420 CO 0.30 -1.39 0.04 0.42 -0.81 0.00 0.00 175.30 173.86 3fy4 s ILE 421 N -0.05 4.56 0.31 4.11 1.01 -1.26 -5.08 121.20 124.81 3fy4 s ILE 421 Ca 0.29 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 3fy4 s ILE 421 Cb -0.08 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 3fy4 s ILE 421 CO -0.07 0.48 1.27 -0.31 0.00 0.00 0.00 174.94 176.31 3fy4 s TYR 422 N 0.26 3.17 -0.23 3.97 2.02 -1.26 -5.00 117.35 120.27 3fy4 s TYR 422 Ca 0.02 1.45 -0.16 0.00 -0.37 0.00 0.00 57.07 58.01 3fy4 s TYR 422 Cb -0.13 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.80 3fy4 s TYR 422 CO 0.01 -1.62 0.39 0.45 -1.57 0.00 0.00 175.55 173.21 3fy4 s SER 423 N -0.49 6.38 0.54 2.29 0.15 -1.26 -4.88 113.70 116.43 3fy4 s SER 423 Ca 0.49 0.44 0.24 0.00 0.70 0.00 0.00 55.95 57.82 3fy4 s SER 423 Cb -0.38 -2.23 1.51 0.00 -1.71 0.00 0.00 66.02 63.21 3fy4 s SER 423 CO 0.49 -0.12 2.16 -0.65 1.20 0.00 0.00 173.24 176.32 3fy4 h PRO 424 N 7.65 0.00 0.00 5.44 0.11 -1.94 -2.57 132.00 140.69 3fy4 h PRO 424 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 3fy4 h PRO 424 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3fy4 h PRO 424 CO 0.69 0.05 -0.57 0.82 -0.21 0.00 0.00 178.00 178.78 3fy4 h ILE 425 N 0.00 0.42 0.15 4.15 2.04 -1.92 -3.40 117.51 118.95 3fy4 h ILE 425 Ca -0.00 -1.45 -0.32 0.00 1.00 0.00 0.00 64.86 64.09 3fy4 h ILE 425 Cb 0.11 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3fy4 h ILE 425 CO 0.01 0.14 -1.57 0.77 0.00 0.00 0.00 178.15 177.50 3fy4 h SER 426 N -1.00 0.50 -0.71 1.72 4.64 -1.92 -3.40 113.55 113.37 3fy4 h SER 426 Ca -0.10 -0.68 0.15 0.00 -0.47 0.00 0.00 61.79 60.70 3fy4 h SER 426 Cb 0.68 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 62.48 3fy4 h SER 426 CO -0.06 1.56 -0.10 0.15 -0.87 0.00 0.00 176.83 177.51 3fy4 h PHE 427 N 0.09 -0.24 -0.97 4.77 3.57 -1.75 -0.64 116.94 121.76 3fy4 h PHE 427 Ca -0.27 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.30 3fy4 h PHE 427 Cb 2.05 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.96 3fy4 h PHE 427 CO 0.08 -0.27 0.65 0.78 -2.23 0.00 0.00 178.31 177.31 3fy4 h GLY 428 N 0.04 1.37 0.61 2.40 0.00 -1.80 -2.19 103.07 103.50 3fy4 h GLY 428 Ca 0.36 -0.51 0.13 0.00 0.00 0.00 0.00 47.33 47.32 3fy4 h GLY 428 CO -0.69 0.50 0.56 0.50 0.00 0.00 0.00 176.54 177.40 3fy4 h LYS 429 N 1.32 0.65 -1.10 4.80 1.57 -1.33 0.35 116.57 122.83 3fy4 h LYS 429 Ca 0.36 -0.04 0.31 0.00 -1.87 0.00 0.00 60.65 59.41 3fy4 h LYS 429 Cb -0.15 -0.15 -0.11 0.00 0.08 0.00 0.00 32.23 31.90 3fy4 h LYS 429 CO -0.08 0.43 0.69 -0.22 -0.57 0.00 0.00 179.45 179.71 3fy4 h LYS 430 N 0.67 0.31 0.00 3.15 3.64 -1.22 -3.06 116.57 120.06 3fy4 h LYS 430 Ca 0.42 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.63 3fy4 h LYS 430 Cb 0.67 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3fy4 h LYS 430 CO -0.18 0.21 -1.57 0.66 -2.27 0.00 0.00 179.45 176.30 3fy4 n TYR 431 N -4.72 0.00 -3.27 1.91 4.02 -0.19 -4.88 117.16 110.02 3fy4 n TYR 431 Ca 0.29 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.93 3fy4 n TYR 431 Cb 1.02 -0.40 -0.07 0.00 -0.02 0.00 0.00 39.34 39.87 3fy4 n TYR 431 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3fy4 n ASP 432 N -2.56 1.73 -0.13 7.72 4.64 0.11 -4.94 116.55 123.12 3fy4 n ASP 432 Ca -0.16 -3.03 0.12 0.00 -1.38 0.00 0.00 54.79 50.34 3fy4 n ASP 432 Cb 0.73 -0.65 0.47 0.00 -1.04 0.00 0.00 41.12 40.63 3fy4 n ASP 432 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3fy4 h PRO 433 N 4.00 0.47 -0.12 -0.67 0.13 -1.72 -0.96 132.00 133.12 3fy4 h PRO 433 Ca 0.12 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 3fy4 h PRO 433 Cb 0.79 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3fy4 h PRO 433 CO 0.62 0.31 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.76 3fy4 h ASP 434 N 0.48 0.35 0.00 1.44 3.32 -1.92 -3.46 116.42 116.63 3fy4 h ASP 434 Ca 0.31 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3fy4 h ASP 434 Cb 0.57 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3fy4 h ASP 434 CO -0.10 0.79 0.00 0.61 -1.72 0.00 0.00 179.24 178.82 3fy4 n GLY 435 N 0.05 1.32 0.13 2.75 0.00 -0.36 -4.60 105.19 104.48 3fy4 n GLY 435 Ca -0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 3fy4 n GLY 435 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fy4 h LYS 436 N 0.00 0.05 0.23 1.61 1.57 -1.92 0.56 116.57 118.67 3fy4 h LYS 436 Ca 0.00 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3fy4 h LYS 436 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3fy4 h LYS 436 CO 0.00 0.03 -0.36 -0.92 -0.57 0.00 0.00 179.45 177.63 3fy4 h TYR 437 N 0.05 -0.98 -0.64 -1.35 3.20 -1.91 -1.48 116.97 113.86 3fy4 h TYR 437 Ca 0.14 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.11 3fy4 h TYR 437 Cb 0.19 0.40 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 3fy4 h TYR 437 CO -0.24 -0.48 0.29 0.82 -1.64 0.00 0.00 178.16 176.91 3fy4 h ILE 438 N -0.66 0.83 -0.85 1.81 2.04 -1.84 -2.23 117.51 116.61 3fy4 h ILE 438 Ca 0.00 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3fy4 h ILE 438 Cb 0.64 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3fy4 h ILE 438 CO -0.14 0.09 0.55 0.03 0.00 0.00 0.00 178.15 178.69 3fy4 h ARG 439 N 0.51 1.12 0.61 2.37 3.08 -0.58 0.18 114.38 121.67 3fy4 h ARG 439 Ca 0.31 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3fy4 h ARG 439 Cb 0.34 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.15 3fy4 h ARG 439 CO -0.27 0.75 -0.30 1.25 -1.07 0.00 0.00 179.97 180.33 3fy4 h HIS 440 N 1.15 -0.77 0.00 3.04 2.76 -0.72 -2.90 115.15 117.71 3fy4 h HIS 440 Ca 0.31 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3fy4 h HIS 440 Cb -0.12 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3fy4 h HIS 440 CO -0.01 -0.43 -0.28 0.74 -1.30 0.00 0.00 177.93 176.65 3fy4 h PHE 441 N -0.96 0.00 -2.17 5.26 0.04 -1.40 -3.35 116.94 114.36 3fy4 h PHE 441 Ca -0.08 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.09 3fy4 h PHE 441 Cb 0.67 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.41 3fy4 h PHE 441 CO -0.01 0.28 -0.65 1.28 -0.60 0.00 0.00 178.31 178.61 3fy4 n LEU 442 N -3.23 3.36 0.25 1.54 4.77 0.63 -4.94 117.00 119.38 3fy4 n LEU 442 Ca 0.02 -5.36 0.13 0.00 -0.03 0.00 0.00 56.01 50.77 3fy4 n LEU 442 Cb 0.58 -0.52 0.68 0.00 -2.33 0.00 0.00 43.42 41.84 3fy4 n LEU 442 CO 0.36 2.06 0.98 1.55 -1.33 0.00 0.00 177.39 181.02 3fy4 h PRO 443 N 4.16 0.00 0.00 3.23 0.13 -1.65 -0.65 132.00 137.22 3fy4 h PRO 443 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3fy4 h PRO 443 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3fy4 h PRO 443 CO 0.80 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.12 3fy4 n VAL 444 N -2.55 1.07 -0.01 1.56 3.14 -1.26 -1.15 118.33 119.13 3fy4 n VAL 444 Ca -0.02 0.27 0.04 0.00 -2.96 0.00 0.00 64.34 61.67 3fy4 n VAL 444 Cb 0.27 -1.04 0.09 0.00 -1.06 0.00 0.00 33.84 32.10 3fy4 n VAL 444 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3fy4 n LEU 445 N -1.50 2.39 -0.35 6.55 4.77 -0.25 -4.67 117.00 123.95 3fy4 n LEU 445 Ca 0.03 -1.74 0.29 0.00 -0.03 0.00 0.00 56.01 54.56 3fy4 n LEU 445 Cb 0.16 -0.12 0.55 0.00 -2.33 0.00 0.00 43.42 41.68 3fy4 n LEU 445 CO 0.12 0.58 1.11 0.50 -1.33 0.00 0.00 177.39 178.37 3fy4 h LYS 446 N 1.44 0.15 -0.17 3.23 3.64 -1.19 -1.40 116.57 122.27 3fy4 h LYS 446 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fy4 h LYS 446 Cb 0.57 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3fy4 h LYS 446 CO 0.00 0.10 0.00 -0.25 -2.27 0.00 0.00 179.45 177.03 3fy4 n ASP 447 N -5.08 2.55 -4.69 4.20 10.43 -1.26 -4.97 116.55 117.73 3fy4 n ASP 447 Ca 0.35 -1.74 -0.42 0.00 2.57 0.00 0.00 54.79 55.55 3fy4 n ASP 447 Cb 1.18 -0.10 -0.03 0.00 1.84 0.00 0.00 41.12 44.01 3fy4 n ASP 447 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3fy4 s MET 448 N -1.13 4.22 0.28 -1.24 1.75 -0.53 -4.79 119.30 117.85 3fy4 s MET 448 Ca 0.21 2.21 -0.30 0.00 -1.25 0.00 0.00 55.69 56.56 3fy4 s MET 448 Cb 0.13 -3.59 -0.12 0.00 2.84 0.00 0.00 34.83 34.09 3fy4 s MET 448 CO 0.19 -0.69 1.55 -0.35 -0.65 0.00 0.00 175.02 175.07 3fy4 n PRO 449 N 5.54 2.52 -0.10 4.11 -0.04 -1.26 -4.64 135.00 141.13 3fy4 n PRO 449 Ca 0.15 0.90 -0.03 0.00 -0.04 0.00 0.00 63.50 64.48 3fy4 n PRO 449 Cb 0.42 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 3fy4 n PRO 449 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3fy4 n LYS 450 N 2.13 -0.10 -0.21 0.54 4.01 -1.26 -0.66 118.16 122.60 3fy4 n LYS 450 Ca 0.09 0.44 0.19 0.00 -0.51 0.00 0.00 58.31 58.53 3fy4 n LYS 450 Cb 0.35 -0.65 0.33 0.00 -0.51 0.00 0.00 35.03 34.55 3fy4 n LYS 450 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3fy4 n GLN 451 N -3.82 -0.02 0.00 1.97 7.27 -1.26 -0.20 117.38 121.31 3fy4 n GLN 451 Ca 0.00 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3fy4 n GLN 451 Cb 0.06 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.45 3fy4 n GLN 451 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3fy4 n TYR 452 N -3.85 0.00 -0.32 3.69 4.02 0.16 -4.79 117.16 116.07 3fy4 n TYR 452 Ca 0.20 -0.13 0.18 0.00 -0.01 0.00 0.00 57.90 58.14 3fy4 n TYR 452 Cb 0.75 -0.01 0.44 0.00 -0.02 0.00 0.00 39.34 40.50 3fy4 n TYR 452 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3fy4 h ILE 453 N 0.18 0.62 -0.15 -0.72 6.09 -0.37 0.53 117.51 123.70 3fy4 h ILE 453 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 3fy4 h ILE 453 Cb 0.21 0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.54 3fy4 h ILE 453 CO 0.00 0.10 0.00 -1.22 -3.07 0.00 0.00 178.15 173.96 3fy4 n TYR 454 N -4.66 0.18 -2.71 2.19 4.02 -1.26 -4.43 117.16 110.48 3fy4 n TYR 454 Ca 0.23 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.90 57.97 3fy4 n TYR 454 Cb 0.73 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 40.13 3fy4 n TYR 454 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3fy4 n GLU 455 N 0.48 0.66 0.10 -0.72 0.28 0.86 -4.63 120.64 117.67 3fy4 n GLU 455 Ca 0.17 -1.45 0.14 0.00 -0.16 0.00 0.00 57.16 55.86 3fy4 n GLU 455 Cb 0.38 -0.81 0.65 0.00 1.43 0.00 0.00 31.44 33.09 3fy4 n GLU 455 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3fy4 h PRO 456 N 3.01 0.04 0.00 3.44 0.13 -0.36 -2.24 132.00 136.03 3fy4 h PRO 456 Ca -0.18 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3fy4 h PRO 456 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3fy4 h PRO 456 CO 0.10 0.03 0.02 -2.67 -0.23 0.00 0.00 178.00 175.25 3fy4 n TRP 457 N -4.46 0.09 1.00 1.56 2.14 -1.26 0.29 117.44 116.80 3fy4 n TRP 457 Ca 0.04 0.05 0.11 0.00 2.07 0.00 0.00 57.50 59.77 3fy4 n TRP 457 Cb 0.36 -0.55 -0.04 0.00 -0.81 0.00 0.00 31.31 30.27 3fy4 n TRP 457 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3fy4 n THR 458 N -1.57 0.00 -2.32 -1.67 -2.24 -0.84 -4.95 114.28 100.69 3fy4 n THR 458 Ca -0.00 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 3fy4 n THR 458 Cb 0.03 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 3fy4 n THR 458 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy4 s ALA 459 N -2.65 3.42 0.35 6.98 0.00 0.14 -4.96 121.76 125.04 3fy4 s ALA 459 Ca 0.15 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 3fy4 s ALA 459 Cb 0.17 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 3fy4 s ALA 459 CO 0.67 -0.37 1.45 -2.30 0.00 0.00 0.00 175.76 175.21 3fy4 n PRO 460 N 0.93 2.52 -0.33 0.00 -0.02 -1.26 -4.70 135.00 132.14 3fy4 n PRO 460 Ca -0.00 0.89 0.28 0.00 -2.02 0.00 0.00 63.50 62.65 3fy4 n PRO 460 Cb 0.44 -2.59 0.60 0.00 -0.02 0.00 0.00 33.50 31.94 3fy4 n PRO 460 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fy4 h LEU 461 N 3.21 0.28 -0.51 2.45 5.85 -1.97 0.88 115.31 125.50 3fy4 h LEU 461 Ca -0.49 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.13 3fy4 h LEU 461 Cb 1.25 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3fy4 h LEU 461 CO 0.67 0.03 -0.51 0.77 -0.34 0.00 0.00 178.44 179.06 3fy4 h SER 462 N 0.23 0.69 -0.35 1.25 4.64 -1.98 -0.80 113.55 117.23 3fy4 h SER 462 Ca 0.60 -0.35 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 3fy4 h SER 462 Cb 1.85 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.73 3fy4 h SER 462 CO -0.21 1.08 -0.29 0.58 -0.87 0.00 0.00 176.83 177.12 3fy4 h VAL 463 N 0.49 1.27 0.24 0.95 2.07 0.30 0.99 116.25 122.57 3fy4 h VAL 463 Ca 0.02 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 3fy4 h VAL 463 Cb 1.06 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3fy4 h VAL 463 CO 0.10 0.49 -0.12 1.56 0.02 0.00 0.00 177.57 179.62 3fy4 h GLN 464 N 0.74 -0.32 -1.14 1.57 4.20 -0.69 0.95 115.11 120.42 3fy4 h GLN 464 Ca 0.08 0.02 0.32 0.00 0.06 0.00 0.00 58.65 59.14 3fy4 h GLN 464 Cb 0.85 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.63 3fy4 h GLN 464 CO 0.07 -0.21 0.79 1.15 -0.67 0.00 0.00 178.83 179.96 3fy4 h THR 465 N -0.37 0.43 0.05 -0.54 2.02 -1.18 0.35 112.91 113.66 3fy4 h THR 465 Ca -0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3fy4 h THR 465 Cb 0.25 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3fy4 h THR 465 CO 0.06 0.03 -0.02 0.50 0.37 0.00 0.00 175.52 176.45 3fy4 h LYS 466 N 0.16 -0.06 0.00 6.66 3.11 -0.61 -2.72 116.57 123.11 3fy4 h LYS 466 Ca 0.60 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.44 3fy4 h LYS 466 Cb 2.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.25 3fy4 h LYS 466 CO -0.15 0.35 0.00 0.00 -2.81 0.00 0.00 179.45 176.84 3fy4 n ALA 467 N -2.35 2.27 -3.71 5.00 0.00 0.97 -4.87 120.51 117.83 3fy4 n ALA 467 Ca -0.08 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 3fy4 n ALA 467 Cb 0.23 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.60 3fy4 n ALA 467 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3fy4 n ASN 468 N -0.64 -3.30 -2.94 0.00 5.15 0.19 -4.64 115.26 109.07 3fy4 n ASN 468 Ca 0.05 -0.94 -0.02 0.00 -0.60 0.00 0.00 54.58 53.08 3fy4 n ASN 468 Cb 0.02 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.63 3fy4 n ASN 468 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fy4 s ILE 470 N 1.33 4.77 0.50 0.00 1.01 -1.26 -4.56 121.20 122.98 3fy4 s ILE 470 Ca 0.23 0.79 -0.22 0.00 0.00 0.00 0.00 60.65 61.45 3fy4 s ILE 470 Cb -0.01 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 3fy4 s ILE 470 CO -0.07 -0.42 1.10 0.52 0.00 0.00 0.00 174.94 176.08 3fy4 n VAL 471 N 5.75 3.10 -0.03 2.92 0.31 -1.26 -0.33 118.33 128.79 3fy4 n VAL 471 Ca 0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 3fy4 n VAL 471 Cb 0.48 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 3fy4 n VAL 471 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fy4 n GLY 472 N 1.08 1.83 0.64 2.92 0.00 0.23 -4.75 105.19 107.14 3fy4 n GLY 472 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fy4 n GLY 472 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fy4 n LYS 473 N -2.00 0.00 0.18 1.61 0.00 0.11 -4.91 118.16 113.15 3fy4 n LYS 473 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.35 3fy4 n LYS 473 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 35.03 35.37 3fy4 n LYS 473 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3fy4 h ASP 474 N 0.00 0.00 -3.46 3.14 3.45 -0.98 -3.43 116.42 115.14 3fy4 h ASP 474 Ca 0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.28 3fy4 h ASP 474 Cb 0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 39.33 38.49 3fy4 h ASP 474 CO 0.00 0.40 -0.44 -0.47 -1.57 0.00 0.00 179.24 177.16 3fy4 s TYR 475 N -3.75 -0.36 1.05 4.55 5.04 -1.25 -4.97 117.35 117.67 3fy4 s TYR 475 Ca -0.01 0.83 -0.12 0.00 -2.44 0.00 0.00 57.07 55.34 3fy4 s TYR 475 Cb 0.12 0.09 0.22 0.00 0.35 0.00 0.00 41.96 42.74 3fy4 s TYR 475 CO 0.70 -0.22 1.07 -1.25 -1.34 0.00 0.00 175.55 174.50 3fy4 s PRO 476 N 0.98 -0.03 0.25 4.97 0.04 -1.26 -0.60 135.00 139.34 3fy4 s PRO 476 Ca -0.07 0.90 0.03 0.00 0.04 0.00 0.00 61.00 61.90 3fy4 s PRO 476 Cb -0.08 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 3fy4 s PRO 476 CO -0.07 -3.14 0.40 -1.59 0.04 0.00 0.00 177.00 172.64 3fy4 s LYS 477 N -4.65 3.46 -0.47 4.56 -2.85 -1.26 -4.51 119.74 114.02 3fy4 s LYS 477 Ca 0.67 -0.58 -0.45 0.00 -1.00 0.00 0.00 55.97 54.61 3fy4 s LYS 477 Cb -0.22 -2.84 -0.19 0.00 -2.06 0.00 0.00 37.83 32.52 3fy4 s LYS 477 CO 0.61 0.37 1.79 -2.30 0.10 0.00 0.00 175.35 175.92 3fy4 n PRO 478 N -1.26 0.17 0.28 1.78 -0.02 -1.26 -4.40 135.00 130.30 3fy4 n PRO 478 Ca -0.07 0.06 0.19 0.00 -2.02 0.00 0.00 63.50 61.65 3fy4 n PRO 478 Cb 0.56 -1.61 0.89 0.00 -0.02 0.00 0.00 33.50 33.32 3fy4 n PRO 478 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy4 h MET 479 N 6.64 0.00 -3.40 -0.52 -0.00 -0.83 -3.44 114.93 113.37 3fy4 h MET 479 Ca -0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.32 3fy4 h MET 479 Cb 1.38 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.87 3fy4 h MET 479 CO 1.01 0.00 -0.04 0.54 -0.00 0.00 0.00 176.91 178.42 3fy4 s VAL 480 N -3.82 0.04 -0.47 -0.10 0.11 -1.26 -5.12 120.40 109.77 3fy4 s VAL 480 Ca -0.01 -0.85 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 3fy4 s VAL 480 Cb 0.10 -1.57 0.07 0.00 -1.53 0.00 0.00 36.38 33.45 3fy4 s VAL 480 CO 0.44 -0.17 0.40 -0.76 -3.33 0.00 0.00 175.10 171.68 3fy4 s LEU 481 N -2.88 5.57 0.24 2.54 1.02 -1.26 -4.99 118.68 118.93 3fy4 s LEU 481 Ca 0.10 -1.29 -0.08 0.00 0.02 0.00 0.00 54.13 52.88 3fy4 s LEU 481 Cb 0.00 -2.19 0.38 0.00 0.02 0.00 0.00 46.19 44.40 3fy4 s LEU 481 CO -0.03 -0.64 1.38 1.57 0.02 0.00 0.00 176.35 178.64 3fy4 n HIS 482 N 5.23 0.28 0.30 0.29 -0.00 -1.26 -0.42 115.22 119.63 3fy4 n HIS 482 Ca -0.12 1.08 -0.17 0.00 -0.00 0.00 0.00 57.72 58.51 3fy4 n HIS 482 Cb 0.44 -0.99 -0.09 0.00 -0.00 0.00 0.00 29.99 29.36 3fy4 n HIS 482 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3fy4 h ASP 483 N 0.00 -1.04 -0.01 0.26 5.19 -1.98 0.18 116.42 119.02 3fy4 h ASP 483 Ca 0.41 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.78 3fy4 h ASP 483 Cb 0.63 0.33 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 3fy4 h ASP 483 CO -0.91 -0.58 -0.32 0.77 -3.12 0.00 0.00 179.24 175.08 3fy4 h SER 484 N -0.90 0.49 -0.14 6.45 4.64 -1.83 -2.09 113.55 120.17 3fy4 h SER 484 Ca -0.06 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 3fy4 h SER 484 Cb 0.76 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3fy4 h SER 484 CO 0.01 0.78 0.05 0.00 -0.87 0.00 0.00 176.83 176.79 3fy4 h ALA 485 N 1.25 0.18 -0.02 5.18 0.00 -0.56 -1.51 119.26 123.77 3fy4 h ALA 485 Ca 0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3fy4 h ALA 485 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3fy4 h ALA 485 CO 0.06 -0.21 -0.56 0.66 0.00 0.00 0.00 179.25 179.20 3fy4 h SER 486 N 0.04 0.08 -0.48 0.00 4.64 -0.63 -2.13 113.55 115.07 3fy4 h SER 486 Ca 0.04 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3fy4 h SER 486 Cb 0.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3fy4 h SER 486 CO -0.00 0.63 -0.23 0.50 -0.87 0.00 0.00 176.83 176.86 3fy4 h LYS 487 N 0.05 1.01 -0.42 4.77 3.64 -1.28 -0.77 116.57 123.58 3fy4 h LYS 487 Ca -0.00 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 3fy4 h LYS 487 Cb 1.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3fy4 h LYS 487 CO 0.08 1.12 -0.08 1.49 -2.27 0.00 0.00 179.45 179.79 3fy4 h GLU 488 N 0.86 0.73 -0.06 1.90 4.22 -1.11 -1.29 114.58 119.82 3fy4 h GLU 488 Ca 0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 59.36 59.29 3fy4 h GLU 488 Cb 0.81 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3fy4 h GLU 488 CO 0.07 0.79 -0.10 0.00 -2.18 0.00 0.00 179.01 177.60 3fy4 h LYS 490 N -0.29 0.51 0.29 0.00 1.57 -1.03 0.43 116.57 118.06 3fy4 h LYS 490 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3fy4 h LYS 490 Cb 0.65 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fy4 h LYS 490 CO 0.02 0.34 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.01 3fy4 h ARG 491 N 0.52 -0.38 -0.79 3.15 2.43 -1.08 -2.21 114.38 116.03 3fy4 h ARG 491 Ca 0.44 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 3fy4 h ARG 491 Cb 0.91 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 3fy4 h ARG 491 CO -0.18 -0.06 0.40 0.87 -1.51 0.00 0.00 179.97 179.50 3fy4 h LYS 492 N -0.94 1.12 -0.69 0.20 1.57 -0.91 -1.93 116.57 114.97 3fy4 h LYS 492 Ca -0.04 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3fy4 h LYS 492 Cb 0.50 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 3fy4 h LYS 492 CO 0.07 0.85 0.39 0.52 -0.57 0.00 0.00 179.45 180.70 3fy4 h MET 493 N 1.10 0.68 -0.32 3.15 2.86 -0.22 0.27 114.93 122.46 3fy4 h MET 493 Ca 0.27 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3fy4 h MET 493 Cb 0.08 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3fy4 h MET 493 CO -0.04 0.45 0.21 0.78 1.06 0.00 0.00 176.91 179.38 3fy4 h GLY 494 N 0.71 0.45 1.00 8.32 0.00 -0.75 0.22 103.07 113.02 3fy4 h GLY 494 Ca 0.31 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 3fy4 h GLY 494 CO -0.19 0.17 0.03 0.83 0.00 0.00 0.00 176.54 177.37 3fy4 h GLU 495 N 0.44 0.86 -0.44 4.80 5.08 -0.69 -1.38 114.58 123.24 3fy4 h GLU 495 Ca 0.12 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3fy4 h GLU 495 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3fy4 h GLU 495 CO -0.03 0.88 0.19 0.00 -1.00 0.00 0.00 179.01 179.06 3fy4 h ALA 496 N 0.95 1.51 -0.34 3.43 0.00 -0.11 -2.10 119.26 122.59 3fy4 h ALA 496 Ca 0.14 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3fy4 h ALA 496 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fy4 h ALA 496 CO 0.02 0.39 -0.32 1.88 0.00 0.00 0.00 179.25 181.21 3fy4 h TYR 497 N 0.62 0.98 -0.70 0.00 -1.99 -0.11 -2.67 116.97 113.10 3fy4 h TYR 497 Ca 0.15 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.54 3fy4 h TYR 497 Cb 0.10 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 3fy4 h TYR 497 CO 0.01 1.08 0.23 0.00 -0.00 0.00 0.00 178.16 179.47 3fy4 h ALA 498 N 0.74 0.92 0.68 3.88 0.00 -0.85 -2.11 119.26 122.52 3fy4 h ALA 498 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3fy4 h ALA 498 Cb 0.91 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fy4 h ALA 498 CO 0.08 0.59 -0.37 1.25 0.00 0.00 0.00 179.25 180.81 3fy4 h LEU 499 N 1.03 -0.89 -1.82 0.00 5.85 -1.38 0.24 115.31 118.34 3fy4 h LEU 499 Ca 0.23 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.14 3fy4 h LEU 499 Cb 0.29 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3fy4 h LEU 499 CO -0.01 -0.60 0.58 0.78 -0.34 0.00 0.00 178.44 178.86 3fy4 h ASN 500 N -0.96 0.00 0.01 1.25 2.35 -1.33 0.95 115.58 117.84 3fy4 h ASN 500 Ca -0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3fy4 h ASN 500 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3fy4 h ASN 500 CO 0.12 0.00 -0.00 0.50 -1.65 0.00 0.00 177.43 176.40 3fy4 h LYS 501 N 0.00 -0.01 0.03 0.81 3.64 -0.52 0.84 116.57 121.36 3fy4 h LYS 501 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3fy4 h LYS 501 Cb 1.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 3fy4 h LYS 501 CO -0.00 0.83 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.64 3fy4 h LYS 502 N -0.89 -0.19 -0.46 1.90 3.64 0.11 -0.73 116.57 119.95 3fy4 h LYS 502 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3fy4 h LYS 502 Cb 0.84 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3fy4 h LYS 502 CO 0.00 -0.13 0.00 -1.33 -2.27 0.00 0.00 179.45 175.72 3fy4 n MET 503 N -3.26 0.27 -4.17 1.90 2.81 -0.59 -4.75 117.12 109.34 3fy4 n MET 503 Ca -0.02 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.53 3fy4 n MET 503 Cb 0.11 -1.16 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3fy4 n MET 503 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3fy4 n ASP 504 N 0.43 -2.29 0.00 7.83 4.64 -0.28 -0.47 116.55 126.41 3fy4 n ASP 504 Ca 0.00 -1.03 0.00 0.00 -1.38 0.00 0.00 54.79 52.38 3fy4 n ASP 504 Cb 0.08 -2.75 0.00 0.00 -1.04 0.00 0.00 41.12 37.41 3fy4 n ASP 504 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3fy4 n GLY 505 N -1.61 2.82 0.89 0.27 0.00 0.29 -4.84 105.19 103.02 3fy4 n GLY 505 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3fy4 n GLY 505 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fy4 n LYS 506 N -1.41 0.89 -1.64 1.61 4.76 0.38 -4.89 118.16 117.85 3fy4 n LYS 506 Ca 0.00 0.00 -0.50 0.00 -2.87 0.00 0.00 58.31 54.94 3fy4 n LYS 506 Cb 0.00 -1.14 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 3fy4 n LYS 506 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3fy4 n VAL 507 N 0.45 0.10 -3.02 -0.18 0.31 -1.26 -4.97 118.33 109.77 3fy4 n VAL 507 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3fy4 n VAL 507 Cb 0.40 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 3fy4 n VAL 507 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3fy4 n ASP 508 N 3.63 0.39 0.30 4.52 3.85 -1.26 -4.98 116.55 123.00 3fy4 n ASP 508 Ca 0.19 -0.83 -0.12 0.00 -0.71 0.00 0.00 54.79 53.32 3fy4 n ASP 508 Cb 0.22 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.93 3fy4 n ASP 508 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3fy4 h GLU 509 N 0.00 -0.75 -0.40 0.11 5.08 -1.99 -2.76 114.58 113.86 3fy4 h GLU 509 Ca 0.00 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3fy4 h GLU 509 Cb 0.00 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3fy4 h GLU 509 CO 0.00 -0.50 0.07 0.93 -1.00 0.00 0.00 179.01 178.51 3fy4 h GLU 510 N -0.78 0.61 -0.64 2.33 5.08 -1.97 0.11 114.58 119.31 3fy4 h GLU 510 Ca -0.08 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3fy4 h GLU 510 Cb 0.61 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3fy4 h GLU 510 CO 0.11 0.58 0.31 -0.91 -1.00 0.00 0.00 179.01 178.09 3fy4 h ASN 511 N 0.59 0.82 0.11 1.42 4.21 -1.97 0.34 115.58 121.09 3fy4 h ASN 511 Ca 0.13 -0.08 -0.19 0.00 1.21 0.00 0.00 56.30 57.37 3fy4 h ASN 511 Cb 0.26 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3fy4 h ASN 511 CO 0.00 0.69 -0.72 -0.07 -1.29 0.00 0.00 177.43 176.04 3fy4 h LEU 512 N 0.91 0.63 -0.49 1.61 3.38 -1.10 -2.00 115.31 118.25 3fy4 h LEU 512 Ca 0.22 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3fy4 h LEU 512 Cb 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3fy4 h LEU 512 CO -0.03 1.16 0.26 0.03 0.09 0.00 0.00 178.44 179.95 3fy4 h ARG 513 N 0.37 0.51 -0.30 1.13 3.08 0.73 0.18 114.38 120.08 3fy4 h ARG 513 Ca -0.03 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 3fy4 h ARG 513 Cb 1.31 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3fy4 h ARG 513 CO 0.13 0.33 -0.35 -0.44 -1.07 0.00 0.00 179.97 178.58 3fy4 h ASP 514 N 0.52 0.83 -0.91 7.04 3.32 -0.35 -0.80 116.42 126.07 3fy4 h ASP 514 Ca 0.21 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3fy4 h ASP 514 Cb 0.09 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3fy4 h ASP 514 CO -0.13 1.14 0.51 0.25 -1.72 0.00 0.00 179.24 179.30 3fy4 h LEU 515 N 0.53 1.13 -1.13 1.55 5.85 -1.05 0.95 115.31 123.12 3fy4 h LEU 515 Ca 0.04 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3fy4 h LEU 515 Cb 0.93 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3fy4 h LEU 515 CO 0.08 0.89 0.20 -0.09 -0.34 0.00 0.00 178.44 179.19 3fy4 h ARG 516 N 1.27 0.81 -0.03 1.25 2.43 -0.45 -0.19 114.38 119.48 3fy4 h ARG 516 Ca 0.32 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.16 3fy4 h ARG 516 Cb 0.00 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3fy4 h ARG 516 CO -0.05 0.68 -0.84 0.00 -1.51 0.00 0.00 179.97 178.24 3fy4 h ARG 517 N 0.80 0.37 0.47 0.20 -0.00 0.44 -2.59 114.38 114.06 3fy4 h ARG 517 Ca 0.19 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.98 59.29 3fy4 h ARG 517 Cb 0.19 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.26 3fy4 h ARG 517 CO -0.01 1.02 -0.23 -0.22 0.00 0.00 0.00 179.97 180.53 3fy4 h LYS 518 N 0.23 -0.61 0.00 0.04 3.11 0.15 -0.26 116.57 119.23 3fy4 h LYS 518 Ca -0.05 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3fy4 h LYS 518 Cb 1.45 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.82 3fy4 h LYS 518 CO 0.14 -0.38 0.00 1.28 -2.81 0.00 0.00 179.45 177.68 3fy4 n LEU 519 N -5.34 0.03 0.02 5.20 4.77 -0.15 -1.63 117.00 119.89 3fy4 n LEU 519 Ca -0.12 0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 56.17 3fy4 n LEU 519 Cb 0.28 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 3fy4 n LEU 519 CO 0.36 -0.45 -0.18 1.56 -1.33 0.00 0.00 177.39 177.34 3fy4 h GLN 520 N 0.00 0.24 0.01 3.23 7.50 -0.67 -2.97 115.11 122.45 3fy4 h GLN 520 Ca 0.00 -0.41 0.00 0.00 0.50 0.00 0.00 58.65 58.74 3fy4 h GLN 520 Cb 0.07 0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 3fy4 h GLN 520 CO 0.00 1.20 -0.03 0.87 -1.50 0.00 0.00 178.83 179.37 3fy4 h LYS 521 N -0.41 -0.06 -0.48 1.46 6.56 -0.28 -0.55 116.57 122.81 3fy4 h LYS 521 Ca -0.22 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.44 3fy4 h LYS 521 Cb 1.64 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 33.26 3fy4 h LYS 521 CO 0.08 -0.04 0.16 -0.44 -2.06 0.00 0.00 179.45 177.15 3fy4 h ASP 522 N -0.06 0.14 0.32 0.86 3.45 -1.61 -2.51 116.42 117.01 3fy4 h ASP 522 Ca 0.01 0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.40 3fy4 h ASP 522 Cb 0.07 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3fy4 h ASP 522 CO -0.02 0.11 -0.53 -0.33 -1.57 0.00 0.00 179.24 176.90 3fy4 h GLU 523 N 0.32 0.24 -0.31 3.56 5.08 -1.35 -2.73 114.58 119.39 3fy4 h GLU 523 Ca 0.23 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3fy4 h GLU 523 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fy4 h GLU 523 CO -0.24 0.71 0.00 -2.39 -1.00 0.00 0.00 179.01 176.09 3fy4 n HIS 524 N -3.93 0.00 0.00 4.33 1.44 -0.23 -4.09 115.22 112.75 3fy4 n HIS 524 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3fy4 n HIS 524 Cb 0.57 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.65 3fy4 n HIS 524 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3fy4 n GLU 525 N -0.31 0.00 0.00 -1.40 -0.58 -1.03 -5.04 120.64 112.28 3fy4 n GLU 525 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3fy4 n GLU 525 Cb 0.08 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 3fy4 n GLU 525 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80