#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mzn s PHE 2 N 0.00 2.63 0.57 -1.77 0.08 -1.26 -5.00 117.98 113.23 3mzn s PHE 2 Ca 0.00 1.55 -0.19 0.00 0.12 0.00 0.00 56.93 58.40 3mzn s PHE 2 Cb 0.00 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.15 3mzn s PHE 2 CO 0.00 -1.67 1.19 -1.25 -0.10 0.00 0.00 175.22 173.39 3mzn s PRO 3 N -3.62 3.12 0.33 0.24 0.04 -1.26 -4.68 135.00 129.17 3mzn s PRO 3 Ca 0.71 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 3mzn s PRO 3 Cb -0.23 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3mzn s PRO 3 CO 0.33 -1.07 0.67 0.15 0.04 0.00 0.00 177.00 177.12 3mzn s LYS 4 N -3.29 3.78 -0.02 4.56 1.02 -1.26 -1.92 119.74 122.62 3mzn s LYS 4 Ca 0.76 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.80 3mzn s LYS 4 Cb -0.29 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 3mzn s LYS 4 CO 0.31 0.12 1.43 0.42 -0.92 0.00 0.00 175.35 176.71 3mzn s ILE 5 N -2.13 3.71 -0.05 2.17 -1.09 0.26 -0.72 121.20 123.35 3mzn s ILE 5 Ca 0.49 1.06 0.15 0.00 -2.23 0.00 0.00 60.65 60.12 3mzn s ILE 5 Cb -0.11 -3.68 -0.22 0.00 -1.58 0.00 0.00 42.46 36.87 3mzn s ILE 5 CO 0.27 -0.02 0.27 0.35 -1.23 0.00 0.00 174.94 174.58 3mzn n THR 6 N 4.80 0.23 -3.80 2.92 -2.24 0.80 -0.82 114.28 116.17 3mzn n THR 6 Ca 0.14 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 3mzn n THR 6 Cb 0.43 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 3mzn n THR 6 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3mzn s LYS 7 N -2.89 0.38 -0.07 -0.78 2.20 -1.02 -4.95 119.74 112.61 3mzn s LYS 7 Ca -0.06 0.11 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 3mzn s LYS 7 Cb 0.08 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.60 3mzn s LYS 7 CO 0.62 -0.07 -0.00 1.41 -0.36 0.00 0.00 175.35 176.95 3mzn s MET 8 N -0.39 0.66 -0.13 4.03 -2.45 -1.26 -1.13 119.30 118.64 3mzn s MET 8 Ca -0.05 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.48 3mzn s MET 8 Cb -0.03 -1.00 -0.01 0.00 1.25 0.00 0.00 34.83 35.04 3mzn s MET 8 CO 0.01 -0.29 -0.17 -0.80 1.05 0.00 0.00 175.02 174.82 3mzn s ASN 9 N 1.92 3.66 -0.30 1.11 -0.87 0.20 -4.99 114.94 115.67 3mzn s ASN 9 Ca 0.04 -0.43 -0.10 0.00 -1.57 0.00 0.00 52.86 50.80 3mzn s ASN 9 Cb -0.12 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.25 39.54 3mzn s ASN 9 CO -0.05 0.14 0.17 -0.69 -2.57 0.00 0.00 177.10 174.11 3mzn s VAL 10 N 0.46 4.92 -0.40 1.60 1.01 -1.26 -0.78 120.40 125.95 3mzn s VAL 10 Ca -0.12 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3mzn s VAL 10 Cb -0.16 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.90 3mzn s VAL 10 CO 0.05 0.13 0.18 -0.69 0.00 0.00 0.00 175.10 174.78 3mzn s VAL 11 N 1.68 1.47 0.43 2.92 1.01 0.10 -5.00 120.40 123.02 3mzn s VAL 11 Ca 0.06 -2.29 -0.25 0.00 0.00 0.00 0.00 61.98 59.51 3mzn s VAL 11 Cb -0.17 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 3mzn s VAL 11 CO 0.08 -0.79 1.22 -2.16 0.00 0.00 0.00 175.10 173.45 3mzn s PRO 12 N 0.70 3.88 0.10 2.72 0.04 -1.26 -0.54 135.00 140.63 3mzn s PRO 12 Ca 0.15 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 3mzn s PRO 12 Cb -0.22 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 3mzn s PRO 12 CO -0.07 -0.50 0.04 0.14 0.04 0.00 0.00 177.00 176.65 3mzn s VAL 13 N -1.39 0.15 -0.00 -0.36 -7.23 0.33 -4.29 120.40 107.61 3mzn s VAL 13 Ca 0.60 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 3mzn s VAL 13 Cb -0.33 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3mzn s VAL 13 CO 0.41 -0.66 -0.00 0.00 -0.31 0.00 0.00 175.10 174.54 3mzn s ALA 14 N -3.99 0.04 0.22 1.32 0.00 -0.64 -1.45 121.76 117.26 3mzn s ALA 14 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3mzn s ALA 14 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3mzn s ALA 14 CO -0.03 0.00 0.01 0.41 0.00 0.00 0.00 175.76 176.15 3mzn n GLY 15 N 3.11 3.90 3.88 0.00 0.00 -0.54 -4.63 105.19 110.90 3mzn n GLY 15 Ca -0.13 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 3mzn n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mzn s GLU 16 N -2.81 3.32 0.05 1.61 2.02 -1.26 -1.70 118.70 119.93 3mzn s GLU 16 Ca 0.01 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 3mzn s GLU 16 Cb 0.00 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 3mzn s GLU 16 CO 0.01 0.64 -0.00 0.34 0.02 0.00 0.00 175.26 176.26 3mzn s ASP 17 N -2.16 0.43 0.93 -0.19 2.15 -0.10 -4.74 116.67 112.99 3mzn s ASP 17 Ca 0.29 -0.94 -0.13 0.00 0.43 0.00 0.00 52.55 52.20 3mzn s ASP 17 Cb -0.13 0.22 0.19 0.00 -0.30 0.00 0.00 42.92 42.90 3mzn s ASP 17 CO 0.22 -0.61 1.27 -0.83 -0.17 0.00 0.00 175.17 175.05 3mzn s GLY 18 N -2.87 1.79 -1.46 2.66 0.00 -1.26 -4.33 107.32 101.85 3mzn s GLY 18 Ca 0.06 -1.33 -0.08 0.00 0.00 0.00 0.00 44.72 43.37 3mzn s GLY 18 CO -0.10 -0.58 2.63 0.33 0.00 0.00 0.00 173.10 175.38 3mzn n PHE 19 N -3.62 2.54 -2.45 1.90 -0.00 -1.26 -4.63 117.46 109.95 3mzn n PHE 19 Ca 0.16 -2.95 -0.42 0.00 -0.00 0.00 0.00 57.45 54.24 3mzn n PHE 19 Cb 0.60 -2.15 -0.03 0.00 -0.00 0.00 0.00 39.48 37.90 3mzn n PHE 19 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3mzn s LEU 20 N -0.97 4.39 -0.04 -2.13 1.02 -1.26 -1.22 118.68 118.46 3mzn s LEU 20 Ca 0.61 2.01 -0.04 0.00 0.02 0.00 0.00 54.13 56.73 3mzn s LEU 20 Cb 0.18 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.77 3mzn s LEU 20 CO -0.08 -0.42 0.16 -0.76 0.02 0.00 0.00 176.35 175.27 3mzn s LEU 21 N 0.85 4.32 0.00 1.79 1.43 -0.21 -0.79 118.68 126.07 3mzn s LEU 21 Ca 0.57 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 3mzn s LEU 21 Cb -0.29 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.56 3mzn s LEU 21 CO 0.30 0.31 0.70 -0.46 0.23 0.00 0.00 176.35 177.43 3mzn n ASN 22 N 1.27 -2.03 -0.10 2.29 0.23 -0.07 -4.51 115.26 112.34 3mzn n ASN 22 Ca -0.14 -2.53 0.07 0.00 -0.53 0.00 0.00 54.58 51.45 3mzn n ASN 22 Cb 0.53 3.42 0.41 0.00 -2.08 0.00 0.00 39.78 42.07 3mzn n ASN 22 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3mzn h LEU 23 N 0.00 0.53 -0.12 -4.53 5.85 -1.71 -0.85 115.31 114.49 3mzn h LEU 23 Ca -0.31 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3mzn h LEU 23 Cb 1.15 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3mzn h LEU 23 CO 0.39 0.35 0.00 -1.20 -0.34 0.00 0.00 178.44 177.64 3mzn n SER 24 N -4.47 0.39 0.00 1.25 7.64 -1.26 -4.49 113.62 112.68 3mzn n SER 24 Ca 0.08 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3mzn n SER 24 Cb 0.21 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3mzn n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mzn n GLY 25 N 0.93 0.42 3.37 0.23 0.00 -0.32 -4.08 105.19 105.74 3mzn n GLY 25 Ca 0.05 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 3mzn n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mzn s GLY 26 N 0.00 1.46 0.39 -0.02 0.00 -0.16 -0.89 107.32 108.10 3mzn s GLY 26 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 3mzn s GLY 26 CO 0.00 -0.53 1.44 1.42 0.00 0.00 0.00 173.10 175.43 3mzn n HIS 27 N 2.92 2.80 -1.34 1.90 8.25 0.03 -4.37 115.22 125.41 3mzn n HIS 27 Ca -0.18 0.46 -0.31 0.00 -0.26 0.00 0.00 57.72 57.43 3mzn n HIS 27 Cb 0.52 -2.49 0.09 0.00 1.12 0.00 0.00 29.99 29.22 3mzn n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3mzn s GLU 28 N -2.15 2.32 0.45 -0.41 2.02 -1.26 -4.52 118.70 115.14 3mzn s GLU 28 Ca 0.56 1.23 0.31 0.00 0.02 0.00 0.00 54.97 57.08 3mzn s GLU 28 Cb -0.48 -1.90 1.62 0.00 0.10 0.00 0.00 34.13 33.47 3mzn s GLU 28 CO 0.62 -1.61 1.94 -1.35 0.02 0.00 0.00 175.26 174.88 3mzn h PRO 29 N -0.92 0.00 -6.13 0.39 0.11 -1.85 -3.41 132.00 120.18 3mzn h PRO 29 Ca -0.44 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.98 3mzn h PRO 29 Cb 1.24 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.05 3mzn h PRO 29 CO 0.51 0.00 -0.86 1.67 -0.21 0.00 0.00 178.00 179.12 3mzn s TRP 30 N -3.75 2.48 0.05 0.65 -2.14 -1.26 -0.93 118.94 114.05 3mzn s TRP 30 Ca -0.03 -0.57 0.04 0.00 2.66 0.00 0.00 56.10 58.20 3mzn s TRP 30 Cb 0.09 -1.60 -0.04 0.00 -3.10 0.00 0.00 33.47 28.82 3mzn s TRP 30 CO 0.31 -0.12 -0.04 -0.59 -2.66 0.00 0.00 176.95 173.85 3mzn s PHE 31 N -0.31 2.93 -0.08 1.66 -0.12 -0.69 -4.86 117.98 116.51 3mzn s PHE 31 Ca 0.01 -0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.87 3mzn s PHE 31 Cb -0.13 -1.56 -0.02 0.00 -0.63 0.00 0.00 43.02 40.68 3mzn s PHE 31 CO 0.02 0.43 -0.11 0.42 -0.05 0.00 0.00 175.22 175.93 3mzn s ILE 32 N -1.16 3.28 0.15 -4.49 1.01 -1.26 -1.47 121.20 117.27 3mzn s ILE 32 Ca 0.21 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3mzn s ILE 32 Cb -0.11 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 3mzn s ILE 32 CO 0.13 0.57 0.12 -0.13 0.00 0.00 0.00 174.94 175.62 3mzn s ARG 33 N -0.45 1.03 -0.09 2.79 1.81 -0.53 -3.99 118.95 119.53 3mzn s ARG 33 Ca 0.06 -1.44 0.03 0.00 -1.72 0.00 0.00 55.73 52.66 3mzn s ARG 33 Cb -0.12 0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 3mzn s ARG 33 CO 0.02 -0.32 -0.17 0.00 -0.68 0.00 0.00 175.30 174.15 3mzn s VAL 35 N 0.65 4.17 -0.18 0.00 1.01 0.29 -1.33 120.40 125.01 3mzn s VAL 35 Ca -0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3mzn s VAL 35 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3mzn s VAL 35 CO 0.04 0.49 0.03 -0.22 0.00 0.00 0.00 175.10 175.44 3mzn s LEU 36 N 0.31 3.65 -0.17 3.92 2.96 -0.07 0.02 118.68 129.31 3mzn s LEU 36 Ca -0.02 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3mzn s LEU 36 Cb -0.14 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3mzn s LEU 36 CO 0.02 0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.36 3mzn s VAL 37 N 0.40 1.82 -0.01 1.68 1.01 0.04 -1.50 120.40 123.84 3mzn s VAL 37 Ca 0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3mzn s VAL 37 Cb -0.13 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3mzn s VAL 37 CO 0.01 0.46 -0.08 -0.76 0.00 0.00 0.00 175.10 174.73 3mzn s LEU 38 N 1.38 3.11 -0.01 3.92 1.43 -0.19 -0.63 118.68 127.69 3mzn s LEU 38 Ca 0.04 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 3mzn s LEU 38 Cb -0.13 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3mzn s LEU 38 CO -0.11 0.30 -0.19 -0.70 0.23 0.00 0.00 176.35 175.88 3mzn s GLU 39 N -1.25 1.54 0.44 1.70 2.12 -0.28 -0.94 118.70 122.03 3mzn s GLU 39 Ca 0.16 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.87 3mzn s GLU 39 Cb -0.11 -1.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 3mzn s GLU 39 CO 0.06 0.41 0.21 0.16 -0.54 0.00 0.00 175.26 175.55 3mzn s ASP 40 N -0.44 4.46 0.57 -1.70 1.47 -0.41 -0.14 116.67 120.47 3mzn s ASP 40 Ca 0.07 -1.13 0.27 0.00 1.18 0.00 0.00 52.55 52.94 3mzn s ASP 40 Cb -0.07 -0.28 1.51 0.00 -0.34 0.00 0.00 42.92 43.73 3mzn s ASP 40 CO -0.01 -0.65 2.01 -0.33 0.68 0.00 0.00 175.17 176.87 3mzn h GLU 41 N 1.31 0.00 -0.00 2.11 5.08 -1.22 0.62 114.58 122.48 3mzn h GLU 41 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3mzn h GLU 41 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3mzn h GLU 41 CO 0.68 0.00 -0.01 -1.13 -1.00 0.00 0.00 179.01 177.55 3mzn n SER 42 N -4.00 0.07 0.00 1.42 3.41 -1.26 -4.87 113.62 108.38 3mzn n SER 42 Ca 0.06 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3mzn n SER 42 Cb 0.51 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3mzn n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mzn n GLY 43 N 1.16 0.85 3.79 5.00 0.00 0.21 -5.06 105.19 111.14 3mzn n GLY 43 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3mzn n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mzn s ASN 44 N -3.01 5.72 0.00 1.61 0.02 -1.26 -4.83 114.94 113.20 3mzn s ASN 44 Ca 0.00 1.96 0.06 0.00 -1.02 0.00 0.00 52.86 53.86 3mzn s ASN 44 Cb 0.00 -2.55 -0.02 0.00 0.02 0.00 0.00 41.25 38.70 3mzn s ASN 44 CO 0.00 -1.21 -0.19 -0.13 0.02 0.00 0.00 177.10 175.59 3mzn s ARG 45 N -3.75 1.44 0.12 -0.60 0.52 -1.26 -1.29 118.95 114.14 3mzn s ARG 45 Ca 0.67 -0.73 0.11 0.00 -0.52 0.00 0.00 55.73 55.26 3mzn s ARG 45 Cb -0.19 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 3mzn s ARG 45 CO 0.33 0.38 -0.27 0.20 0.02 0.00 0.00 175.30 175.96 3mzn s GLY 46 N -0.65 1.56 0.13 -3.53 0.00 -0.11 -4.73 107.32 99.99 3mzn s GLY 46 Ca 0.07 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.39 3mzn s GLY 46 CO -0.00 -1.42 -0.12 -1.34 0.00 0.00 0.00 173.10 170.22 3mzn s VAL 47 N -1.04 1.23 0.02 1.40 -7.23 -1.26 -1.02 120.40 112.50 3mzn s VAL 47 Ca 0.14 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3mzn s VAL 47 Cb -0.10 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 3mzn s VAL 47 CO 0.06 -0.56 0.01 -0.83 -0.31 0.00 0.00 175.10 173.47 3mzn s GLY 48 N -2.73 0.22 -0.01 2.32 0.00 -0.56 -2.62 107.32 103.94 3mzn s GLY 48 Ca 0.12 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.31 3mzn s GLY 48 CO 0.02 -0.65 -0.10 1.85 0.00 0.00 0.00 173.10 174.21 3mzn s GLU 49 N -1.77 0.84 0.24 2.90 2.12 -1.26 -0.89 118.70 120.87 3mzn s GLU 49 Ca -0.13 -0.37 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 3mzn s GLU 49 Cb -0.07 -0.81 -0.01 0.00 0.26 0.00 0.00 34.13 33.50 3mzn s GLU 49 CO -0.02 0.22 0.41 0.96 -0.54 0.00 0.00 175.26 176.29 3mzn s ILE 50 N -0.24 0.00 0.89 -3.70 -4.36 -0.44 -4.75 121.20 108.61 3mzn s ILE 50 Ca 0.04 -1.54 -0.12 0.00 -0.26 0.00 0.00 60.65 58.78 3mzn s ILE 50 Cb -0.04 -2.29 0.10 0.00 1.25 0.00 0.00 42.46 41.48 3mzn s ILE 50 CO -0.00 0.00 0.98 -2.65 0.24 0.00 0.00 174.94 173.50 3mzn n PRO 51 N -0.37 -0.24 -4.30 0.37 -0.02 -1.26 -0.32 135.00 128.85 3mzn n PRO 51 Ca -0.01 -0.01 -0.17 0.00 -2.02 0.00 0.00 63.50 61.29 3mzn n PRO 51 Cb 0.63 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 3mzn n PRO 51 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mzn s SER 52 N -2.33 2.26 0.13 2.55 0.15 -1.26 -4.19 113.70 111.01 3mzn s SER 52 Ca 0.66 -0.97 -0.26 0.00 0.70 0.00 0.00 55.95 56.08 3mzn s SER 52 Cb -0.25 -0.09 0.07 0.00 -1.71 0.00 0.00 66.02 64.05 3mzn s SER 52 CO 0.58 -0.20 1.00 -0.94 1.20 0.00 0.00 173.24 174.88 3mzn s SER 53 N -3.09 -0.17 0.25 5.45 1.04 -1.25 -4.60 113.70 111.33 3mzn s SER 53 Ca 0.18 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 3mzn s SER 53 Cb -0.01 0.45 0.27 0.00 0.10 0.00 0.00 66.02 66.83 3mzn s SER 53 CO 0.04 -0.82 1.86 -0.33 0.98 0.00 0.00 173.24 174.97 3mzn h GLU 54 N 2.00 1.17 -0.57 4.02 5.08 -2.00 -0.48 114.58 123.79 3mzn h GLU 54 Ca -0.25 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3mzn h GLU 54 Cb 1.23 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3mzn h GLU 54 CO 0.26 0.87 0.33 0.78 -1.00 0.00 0.00 179.01 180.25 3mzn h GLY 55 N 1.19 0.82 0.98 -3.84 0.00 -1.96 -0.51 103.07 99.74 3mzn h GLY 55 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 3mzn h GLY 55 CO -0.04 0.18 -0.11 -2.22 0.00 0.00 0.00 176.54 174.35 3mzn h ILE 56 N 0.64 1.28 -0.78 2.60 2.04 -1.78 0.08 117.51 121.60 3mzn h ILE 56 Ca 0.24 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 3mzn h ILE 56 Cb 0.08 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3mzn h ILE 56 CO -0.13 0.40 0.34 -0.07 0.00 0.00 0.00 178.15 178.69 3mzn h LEU 57 N 0.56 1.04 -0.49 1.44 3.38 -0.76 -1.56 115.31 118.92 3mzn h LEU 57 Ca 0.09 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3mzn h LEU 57 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3mzn h LEU 57 CO 0.04 0.90 -0.21 0.78 0.09 0.00 0.00 178.44 180.04 3mzn h ASN 58 N 1.12 1.04 -0.79 -0.43 2.35 -0.89 -2.28 115.58 115.69 3mzn h ASN 58 Ca 0.26 -0.39 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3mzn h ASN 58 Cb 0.16 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 3mzn h ASN 58 CO -0.03 1.20 0.37 1.23 -1.65 0.00 0.00 177.43 178.55 3mzn h GLY 59 N 0.87 1.24 1.07 2.83 0.00 -0.59 -0.45 103.07 108.05 3mzn h GLY 59 Ca 0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3mzn h GLY 59 CO 0.07 0.60 0.12 1.41 0.00 0.00 0.00 176.54 178.73 3mzn h LEU 60 N 1.13 1.08 -1.10 3.11 3.38 -1.24 -2.38 115.31 119.30 3mzn h LEU 60 Ca 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3mzn h LEU 60 Cb 0.14 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3mzn h LEU 60 CO -0.03 1.06 0.33 -0.33 0.09 0.00 0.00 178.44 179.56 3mzn h GLU 61 N 1.06 0.97 -0.19 1.13 4.39 -0.78 -2.12 114.58 119.04 3mzn h GLU 61 Ca 0.21 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3mzn h GLU 61 Cb 0.43 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3mzn h GLU 61 CO 0.01 0.74 -0.24 -0.22 -1.16 0.00 0.00 179.01 178.15 3mzn h LYS 62 N 0.96 0.34 -0.01 2.33 3.64 -0.79 -2.50 116.57 120.54 3mzn h LYS 62 Ca 0.24 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3mzn h LYS 62 Cb 0.09 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3mzn h LYS 62 CO -0.03 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.71 3mzn h ARG 64 N 1.93 0.82 -0.00 0.00 2.43 -0.92 -1.54 114.38 117.11 3mzn h ARG 64 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3mzn h ARG 64 Cb 0.41 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3mzn h ARG 64 CO 0.00 0.54 -0.07 -1.13 -1.51 0.00 0.00 179.97 177.80 3mzn n SER 65 N -4.72 0.26 0.13 -3.80 3.41 -1.26 -1.69 113.62 105.94 3mzn n SER 65 Ca 0.21 -0.38 0.08 0.00 -0.26 0.00 0.00 58.87 58.52 3mzn n SER 65 Cb 0.47 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3mzn n SER 65 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mzn h LEU 66 N 0.29 0.00 0.00 1.04 3.38 -1.58 -3.41 115.31 115.03 3mzn h LEU 66 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3mzn h LEU 66 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3mzn h LEU 66 CO 0.00 0.19 -1.48 0.52 0.09 0.00 0.00 178.44 177.76 3mzn n VAL 67 N -2.94 1.50 -1.66 1.22 0.31 -0.96 -4.48 118.33 111.31 3mzn n VAL 67 Ca -0.00 -0.05 -0.47 0.00 -0.01 0.00 0.00 64.34 63.81 3mzn n VAL 67 Cb 0.63 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 31.37 3mzn n VAL 67 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mzn n GLU 68 N -4.41 2.06 0.00 5.55 1.02 -0.68 -1.11 120.64 123.06 3mzn n GLU 68 Ca -0.30 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3mzn n GLU 68 Cb 0.63 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 3mzn n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mzn n GLY 69 N 3.43 2.32 3.78 0.62 0.00 -0.00 -4.88 105.19 110.45 3mzn n GLY 69 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3mzn n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mzn s ALA 70 N -2.57 2.95 0.20 4.61 0.00 -0.26 -4.56 121.76 122.11 3mzn s ALA 70 Ca 0.00 0.82 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 3mzn s ALA 70 Cb 0.00 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 3mzn s ALA 70 CO 0.00 -0.53 0.75 1.03 0.00 0.00 0.00 175.76 177.01 3mzn s ARG 71 N -2.80 4.40 0.52 0.00 0.52 -1.26 -0.57 118.95 119.75 3mzn s ARG 71 Ca 0.64 1.01 0.28 0.00 -0.52 0.00 0.00 55.73 57.14 3mzn s ARG 71 Cb -0.25 -3.05 1.40 0.00 0.52 0.00 0.00 34.95 33.57 3mzn s ARG 71 CO 0.30 0.48 2.04 -0.39 0.02 0.00 0.00 175.30 177.75 3mzn h VAL 72 N 3.02 0.52 0.00 3.52 -1.51 -1.66 -0.15 116.25 119.99 3mzn h VAL 72 Ca -0.48 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 3mzn h VAL 72 Cb 1.20 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 3mzn h VAL 72 CO 0.65 0.12 0.00 -0.46 -1.23 0.00 0.00 177.57 176.66 3mzn n ASN 73 N -3.56 0.29 -0.75 4.19 6.94 -1.26 -2.89 115.26 118.21 3mzn n ASN 73 Ca -0.01 0.55 0.05 0.00 -0.02 0.00 0.00 54.58 55.14 3mzn n ASN 73 Cb 0.26 -0.62 0.15 0.00 -2.36 0.00 0.00 39.78 37.22 3mzn n ASN 73 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3mzn n GLU 74 N -1.79 2.04 -0.28 -3.83 1.02 -0.07 -4.56 120.64 113.17 3mzn n GLU 74 Ca 0.05 -1.23 0.03 0.00 -0.02 0.00 0.00 57.16 55.99 3mzn n GLU 74 Cb 0.29 -1.43 0.11 0.00 -0.02 0.00 0.00 31.44 30.39 3mzn n GLU 74 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3mzn h VAL 75 N 1.84 0.21 -0.29 2.62 3.04 -1.68 -0.04 116.25 121.95 3mzn h VAL 75 Ca 0.00 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 3mzn h VAL 75 Cb 0.65 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 30.11 3mzn h VAL 75 CO 0.07 0.00 0.05 0.11 -1.01 0.00 0.00 177.57 176.78 3mzn h LYS 76 N 0.01 0.41 0.01 4.17 1.57 -1.91 -1.21 116.57 119.63 3mzn h LYS 76 Ca 0.40 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.90 3mzn h LYS 76 Cb 0.63 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3mzn h LYS 76 CO -0.81 0.41 -0.98 1.96 -0.57 0.00 0.00 179.45 179.46 3mzn h GLN 77 N 0.41 0.02 -0.47 3.15 1.08 -1.43 -2.32 115.11 115.56 3mzn h GLN 77 Ca 0.10 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3mzn h GLN 77 Cb 0.20 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3mzn h GLN 77 CO -0.00 0.98 0.19 0.28 -0.95 0.00 0.00 178.83 179.33 3mzn h VAL 78 N 0.01 1.21 -0.52 -0.54 2.07 -0.65 -1.94 116.25 115.89 3mzn h VAL 78 Ca -0.02 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3mzn h VAL 78 Cb 1.72 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3mzn h VAL 78 CO 0.13 0.24 0.01 -0.07 0.02 0.00 0.00 177.57 177.89 3mzn h LEU 79 N 0.62 0.89 -0.72 2.57 3.38 -1.26 0.75 115.31 121.53 3mzn h LEU 79 Ca 0.16 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3mzn h LEU 79 Cb 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3mzn h LEU 79 CO -0.01 0.97 0.45 0.28 0.09 0.00 0.00 178.44 180.22 3mzn h SER 80 N 0.78 0.72 -0.15 -0.43 0.02 -1.34 0.07 113.55 113.22 3mzn h SER 80 Ca 0.15 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 3mzn h SER 80 Cb 0.52 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3mzn h SER 80 CO 0.03 0.49 -0.40 0.03 -1.14 0.00 0.00 176.83 175.84 3mzn h ARG 81 N 0.86 0.68 -0.72 3.45 3.08 -1.00 -2.15 114.38 118.58 3mzn h ARG 81 Ca 0.30 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3mzn h ARG 81 Cb 0.06 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3mzn h ARG 81 CO -0.13 0.96 0.21 0.00 -1.07 0.00 0.00 179.97 179.95 3mzn h ALA 82 N 0.99 0.95 -0.14 0.04 0.00 -0.36 -1.95 119.26 118.79 3mzn h ALA 82 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mzn h ALA 82 Cb 0.94 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3mzn h ALA 82 CO 0.08 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.07 3mzn h ARG 83 N 1.08 0.19 -0.59 0.00 3.08 -0.81 -0.20 114.38 117.14 3mzn h ARG 83 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3mzn h ARG 83 Cb 0.33 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3mzn h ARG 83 CO -0.00 0.16 0.38 0.78 -1.07 0.00 0.00 179.97 180.21 3mzn h GLY 84 N 0.17 0.84 0.84 0.04 0.00 -1.24 0.13 103.07 103.86 3mzn h GLY 84 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3mzn h GLY 84 CO -0.01 0.32 -0.01 -2.00 0.00 0.00 0.00 176.54 174.84 3mzn h LEU 85 N 0.80 -0.03 -1.70 3.11 5.85 -1.21 -2.99 115.31 119.14 3mzn h LEU 85 Ca 0.21 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3mzn h LEU 85 Cb -0.06 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3mzn h LEU 85 CO -0.04 0.13 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.94 3mzn h LEU 86 N -0.19 0.00 -2.23 2.25 3.38 -0.67 -0.61 115.31 117.25 3mzn h LEU 86 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mzn h LEU 86 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3mzn h LEU 86 CO 0.01 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3mzn h ALA 87 N 1.82 1.00 -0.33 1.53 0.00 -0.60 -2.92 119.26 119.75 3mzn h ALA 87 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3mzn h ALA 87 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3mzn h ALA 87 CO 0.02 0.00 -0.01 1.96 0.00 0.00 0.00 179.25 181.22 3mzn h GLN 88 N 0.00 0.08 0.00 0.00 4.20 -1.07 -2.31 115.11 116.01 3mzn h GLN 88 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mzn h GLN 88 Cb 0.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3mzn h GLN 88 CO 0.00 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 3mzn n GLY 89 N -1.25 -0.18 0.00 3.46 0.00 -1.10 -4.94 105.19 101.19 3mzn n GLY 89 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mzn n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mzn n GLY 90 N -1.12 -0.71 3.78 -0.02 0.00 -0.87 -4.97 105.19 101.28 3mzn n GLY 90 Ca 0.00 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3mzn n GLY 90 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mzn s PRO 91 N -1.32 3.25 0.26 1.61 0.02 -1.26 -4.86 135.00 132.69 3mzn s PRO 91 Ca 0.00 1.44 0.11 0.00 0.02 0.00 0.00 61.00 62.57 3mzn s PRO 91 Cb 0.00 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 3mzn s PRO 91 CO 0.00 -0.90 -0.19 -1.21 -0.33 0.00 0.00 177.00 174.37 3mzn s GLU 92 N -3.65 1.60 0.07 5.54 2.02 -1.26 -5.16 118.70 117.86 3mzn s GLU 92 Ca 0.69 -1.71 0.09 0.00 0.02 0.00 0.00 54.97 54.06 3mzn s GLU 92 Cb -0.20 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 3mzn s GLU 92 CO 0.32 0.31 -0.24 -1.21 0.02 0.00 0.00 175.26 174.46 3mzn s GLU 93 N -3.43 1.77 0.25 1.61 2.02 -1.26 -5.02 118.70 114.63 3mzn s GLU 93 Ca 0.28 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 3mzn s GLU 93 Cb -0.05 -2.02 0.33 0.00 0.10 0.00 0.00 34.13 32.50 3mzn s GLU 93 CO 0.13 0.50 1.88 -0.09 0.02 0.00 0.00 175.26 177.70 3mzn h ARG 94 N 4.43 1.08 0.00 1.61 2.43 -1.97 -3.33 114.38 118.62 3mzn h ARG 94 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3mzn h ARG 94 Cb 1.15 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3mzn h ARG 94 CO 0.44 0.71 0.00 0.41 -1.51 0.00 0.00 179.97 180.02 3mzn n GLY 95 N -1.35 -2.36 0.65 2.80 0.00 -1.26 -1.83 105.19 101.84 3mzn n GLY 95 Ca 0.13 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.59 3mzn n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mzn n ARG 96 N -0.33 1.47 -1.40 1.61 5.12 -1.26 -4.97 116.66 116.90 3mzn n ARG 96 Ca 0.00 -1.58 -0.29 0.00 -1.93 0.00 0.00 57.85 54.05 3mzn n ARG 96 Cb 0.00 -1.30 0.14 0.00 -1.16 0.00 0.00 32.46 30.14 3mzn n ARG 96 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3mzn s GLN 97 N -1.17 1.18 0.55 5.56 -1.52 -1.26 -4.88 119.66 118.13 3mzn s GLN 97 Ca 0.20 0.49 0.30 0.00 -1.95 0.00 0.00 55.36 54.40 3mzn s GLN 97 Cb 0.13 -1.83 1.59 0.00 -0.22 0.00 0.00 33.01 32.69 3mzn s GLN 97 CO 0.19 -2.21 2.12 1.79 -0.25 0.00 0.00 175.29 176.93 3mzn h THR 98 N -1.51 0.46 -1.18 -0.19 1.35 -1.95 -3.44 112.91 106.45 3mzn h THR 98 Ca -0.51 -0.40 -0.56 0.00 -0.55 0.00 0.00 66.41 64.39 3mzn h THR 98 Cb 1.31 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 68.94 3mzn h THR 98 CO 0.59 0.08 -0.40 0.72 -0.25 0.00 0.00 175.52 176.26 3mzn s PHE 99 N -4.21 2.28 -0.21 4.73 -0.12 -1.26 -5.03 117.98 114.17 3mzn s PHE 99 Ca -0.03 -0.66 -0.10 0.00 -0.05 0.00 0.00 56.93 56.09 3mzn s PHE 99 Cb 0.13 -1.99 -0.05 0.00 -0.63 0.00 0.00 43.02 40.48 3mzn s PHE 99 CO 0.56 -0.11 0.13 0.34 -0.05 0.00 0.00 175.22 176.09 3mzn s ASP 100 N -4.09 6.13 0.00 1.98 -1.08 -1.26 -4.84 116.67 113.52 3mzn s ASP 100 Ca 0.39 0.18 0.24 0.00 -0.52 0.00 0.00 52.55 52.84 3mzn s ASP 100 Cb -0.00 -2.08 0.33 0.00 -1.46 0.00 0.00 42.92 39.71 3mzn s ASP 100 CO 0.23 0.15 1.34 0.18 0.52 0.00 0.00 175.17 177.59 3mzn n LEU 101 N 3.73 3.07 -4.67 -1.34 4.77 -0.76 -4.98 117.00 116.82 3mzn n LEU 101 Ca -0.16 -1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 54.37 3mzn n LEU 101 Cb 0.52 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 41.67 3mzn n LEU 101 CO 0.36 0.58 0.65 -0.13 -1.33 0.00 0.00 177.39 177.52 3mzn s ARG 102 N -1.81 0.92 0.02 3.23 0.52 -1.25 -4.94 118.95 115.65 3mzn s ARG 102 Ca 0.33 1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 56.52 3mzn s ARG 102 Cb 0.21 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 3mzn s ARG 102 CO 0.31 -2.53 -0.07 0.28 0.02 0.00 0.00 175.30 173.31 3mzn n VAL 103 N -4.11 1.05 -0.25 3.52 0.31 -1.26 -4.76 118.33 112.83 3mzn n VAL 103 Ca 0.08 0.26 -0.00 0.00 -0.01 0.00 0.00 64.34 64.66 3mzn n VAL 103 Cb 0.54 -1.69 0.12 0.00 -0.91 0.00 0.00 33.84 31.89 3mzn n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mzn h ALA 104 N -0.19 0.98 -0.46 3.52 0.00 -1.95 -1.99 119.26 119.17 3mzn h ALA 104 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mzn h ALA 104 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3mzn h ALA 104 CO -0.02 0.07 0.22 -0.39 0.00 0.00 0.00 179.25 179.13 3mzn h VAL 105 N 0.72 1.16 -0.23 0.00 -1.51 -1.91 -1.41 116.25 113.07 3mzn h VAL 105 Ca 0.33 -0.46 -0.15 0.00 -1.23 0.00 0.00 66.70 65.19 3mzn h VAL 105 Cb 0.23 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 3mzn h VAL 105 CO -0.20 0.19 -0.45 0.45 -1.23 0.00 0.00 177.57 176.33 3mzn h HIS 106 N 0.65 0.90 -0.29 5.19 3.86 -1.50 -1.99 115.15 121.96 3mzn h HIS 106 Ca 0.16 -0.32 0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3mzn h HIS 106 Cb 0.08 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3mzn h HIS 106 CO 0.01 1.11 0.15 0.28 0.86 0.00 0.00 177.93 180.33 3mzn h VAL 107 N 0.43 1.00 -0.75 2.45 2.07 -1.10 -1.92 116.25 118.42 3mzn h VAL 107 Ca 0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3mzn h VAL 107 Cb 1.05 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3mzn h VAL 107 CO 0.10 0.06 0.43 0.40 0.02 0.00 0.00 177.57 178.58 3mzn h ILE 108 N 0.31 1.22 -0.72 4.57 2.04 -1.26 -2.73 117.51 120.94 3mzn h ILE 108 Ca 0.12 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3mzn h ILE 108 Cb 0.03 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3mzn h ILE 108 CO -0.08 0.24 0.29 0.74 0.00 0.00 0.00 178.15 179.34 3mzn h THR 109 N 1.04 1.24 -0.53 -0.27 2.02 -0.94 0.86 112.91 116.33 3mzn h THR 109 Ca 0.27 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3mzn h THR 109 Cb 0.00 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3mzn h THR 109 CO -0.05 0.31 0.23 0.00 0.37 0.00 0.00 175.52 176.39 3mzn h ALA 110 N 1.27 0.69 -0.29 6.16 0.00 -1.09 -0.56 119.26 125.43 3mzn h ALA 110 Ca 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mzn h ALA 110 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3mzn h ALA 110 CO -0.02 0.28 0.03 0.82 0.00 0.00 0.00 179.25 180.36 3mzn h ILE 111 N 0.72 1.24 -0.15 0.00 2.04 -1.19 -2.52 117.51 117.64 3mzn h ILE 111 Ca 0.18 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3mzn h ILE 111 Cb 0.16 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3mzn h ILE 111 CO -0.02 0.27 -0.22 -0.08 0.00 0.00 0.00 178.15 178.10 3mzn h GLU 112 N 0.30 -0.26 -0.06 2.37 4.81 -0.62 0.05 114.58 121.17 3mzn h GLU 112 Ca 0.09 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3mzn h GLU 112 Cb 0.36 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3mzn h GLU 112 CO 0.01 -0.17 -0.02 1.03 -0.73 0.00 0.00 179.01 179.13 3mzn h SER 113 N -0.27 -0.07 -0.30 1.04 0.87 -1.09 0.16 113.55 113.90 3mzn h SER 113 Ca 0.11 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3mzn h SER 113 Cb 0.42 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3mzn h SER 113 CO -0.30 -0.02 -0.06 0.00 -0.53 0.00 0.00 176.83 175.91 3mzn h ALA 114 N 1.05 1.13 0.04 6.23 0.00 -1.10 0.13 119.26 126.75 3mzn h ALA 114 Ca 0.03 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 3mzn h ALA 114 Cb 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mzn h ALA 114 CO -0.06 0.55 -1.09 -0.07 0.00 0.00 0.00 179.25 178.57 3mzn h LEU 115 N 0.64 0.81 -1.12 0.00 3.38 -0.80 -2.34 115.31 115.89 3mzn h LEU 115 Ca 0.12 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 3mzn h LEU 115 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3mzn h LEU 115 CO 0.03 1.49 0.02 -0.26 0.09 0.00 0.00 178.44 179.81 3mzn h PHE 116 N 0.32 0.67 0.14 1.13 0.04 -0.39 0.19 116.94 119.04 3mzn h PHE 116 Ca -0.14 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.56 3mzn h PHE 116 Cb 1.75 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.70 3mzn h PHE 116 CO 0.10 0.63 -0.11 0.22 -0.60 0.00 0.00 178.31 178.54 3mzn h ASP 117 N 0.61 -0.28 -0.58 2.17 3.58 -0.71 0.22 116.42 121.43 3mzn h ASP 117 Ca 0.13 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 3mzn h ASP 117 Cb 0.35 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3mzn h ASP 117 CO 0.01 -0.17 0.11 -0.07 -2.88 0.00 0.00 179.24 176.24 3mzn h LEU 118 N -0.26 0.92 -0.36 2.28 3.38 -1.20 -1.06 115.31 119.01 3mzn h LEU 118 Ca -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3mzn h LEU 118 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3mzn h LEU 118 CO -0.01 0.94 0.14 0.15 0.09 0.00 0.00 178.44 179.75 3mzn h PHE 119 N 0.86 0.55 -0.90 1.13 3.57 -0.47 -1.26 116.94 120.42 3mzn h PHE 119 Ca 0.18 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3mzn h PHE 119 Cb 0.40 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 3mzn h PHE 119 CO 0.03 0.50 0.57 0.78 -2.23 0.00 0.00 178.31 177.97 3mzn h GLY 120 N 0.43 1.33 1.01 2.40 0.00 -0.43 -1.03 103.07 106.78 3mzn h GLY 120 Ca 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3mzn h GLY 120 CO -0.01 0.33 0.27 1.46 0.00 0.00 0.00 176.54 178.59 3mzn h GLN 121 N 1.08 0.96 -0.05 4.80 4.20 -0.89 0.21 115.11 125.41 3mzn h GLN 121 Ca 0.37 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 3mzn h GLN 121 Cb 0.08 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3mzn h GLN 121 CO -0.14 0.80 -0.20 0.00 -0.67 0.00 0.00 178.83 178.61 3mzn h ALA 122 N 1.11 1.57 -0.00 3.87 0.00 -0.49 -2.81 119.26 122.51 3mzn h ALA 122 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mzn h ALA 122 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mzn h ALA 122 CO -0.02 0.32 -0.62 1.28 0.00 0.00 0.00 179.25 180.21 3mzn n LEU 123 N -4.26 0.62 -1.46 0.00 4.77 -0.46 -4.95 117.00 111.25 3mzn n LEU 123 Ca -0.02 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3mzn n LEU 123 Cb 0.28 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3mzn n LEU 123 CO 0.37 0.15 -0.16 0.61 -1.33 0.00 0.00 177.39 177.03 3mzn n GLY 124 N 1.50 -0.12 3.23 -0.72 0.00 0.14 -5.03 105.19 104.19 3mzn n GLY 124 Ca 0.05 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 3mzn n GLY 124 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mzn s MET 125 N -4.60 1.46 0.60 1.61 1.00 0.51 -4.58 119.30 115.29 3mzn s MET 125 Ca 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 55.69 54.69 3mzn s MET 125 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 34.83 33.30 3mzn s MET 125 CO 0.00 0.40 1.07 -1.25 0.00 0.00 0.00 175.02 175.24 3mzn s PRO 126 N -0.87 3.23 0.34 2.03 0.04 -1.15 -0.49 135.00 138.14 3mzn s PRO 126 Ca 0.07 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3mzn s PRO 126 Cb -0.08 -2.02 0.65 0.00 0.04 0.00 0.00 34.50 33.09 3mzn s PRO 126 CO 0.01 -0.89 1.97 0.28 0.04 0.00 0.00 177.00 178.40 3mzn h VAL 127 N 0.49 1.08 -0.91 -0.36 2.07 -1.50 -1.39 116.25 115.74 3mzn h VAL 127 Ca -0.47 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 66.88 3mzn h VAL 127 Cb 1.23 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3mzn h VAL 127 CO 0.57 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.90 3mzn h ALA 128 N 1.58 1.74 0.00 1.67 0.00 -1.85 0.34 119.26 122.74 3mzn h ALA 128 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3mzn h ALA 128 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mzn h ALA 128 CO -0.09 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.94 3mzn n ASP 129 N -4.57 0.20 0.03 0.00 9.92 -0.53 -2.79 116.55 118.81 3mzn n ASP 129 Ca 0.17 0.53 0.11 0.00 -0.53 0.00 0.00 54.79 55.07 3mzn n ASP 129 Cb 0.42 -0.58 -0.08 0.00 -0.64 0.00 0.00 41.12 40.24 3mzn n ASP 129 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3mzn n LEU 130 N -1.70 0.42 -4.81 0.64 4.77 0.08 -4.60 117.00 111.80 3mzn n LEU 130 Ca 0.05 0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 3mzn n LEU 130 Cb 0.30 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3mzn n LEU 130 CO 0.23 -0.01 0.36 -0.76 -1.33 0.00 0.00 177.39 175.88 3mzn s LEU 131 N -4.46 4.42 0.00 2.23 1.43 -1.04 -4.95 118.68 116.31 3mzn s LEU 131 Ca -0.02 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3mzn s LEU 131 Cb 0.13 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3mzn s LEU 131 CO 0.85 0.12 0.00 0.61 0.23 0.00 0.00 176.35 178.17 3mzn n GLY 132 N 1.08 -2.10 0.18 -3.19 0.00 -1.26 -2.35 105.19 97.55 3mzn n GLY 132 Ca -0.05 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.62 3mzn n GLY 132 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3mzn h GLN 133 N 0.00 0.00 0.00 1.61 4.20 -1.93 -3.35 115.11 115.64 3mzn h GLN 133 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3mzn h GLN 133 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3mzn h GLN 133 CO 0.00 0.43 -0.67 0.66 -0.67 0.00 0.00 178.83 178.58 3mzn n TYR 134 N -3.80 0.00 -4.77 2.96 4.01 -1.26 -5.09 117.16 109.20 3mzn n TYR 134 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3mzn n TYR 134 Cb 0.49 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3mzn n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mzn n GLY 135 N 1.34 0.48 3.68 2.72 0.00 -0.99 -4.72 105.19 107.69 3mzn n GLY 135 Ca 0.02 -0.88 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 3mzn n GLY 135 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mzn n ARG 136 N 0.00 2.48 0.00 1.61 0.63 -1.20 -4.34 116.66 115.85 3mzn n ARG 136 Ca 0.00 0.90 0.04 0.00 -0.92 0.00 0.00 57.85 57.87 3mzn n ARG 136 Cb 0.00 -2.75 -0.01 0.00 0.45 0.00 0.00 32.46 30.15 3mzn n ARG 136 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3mzn n GLN 137 N 5.25 2.87 -3.47 -0.14 1.13 0.19 -4.96 117.38 118.24 3mzn n GLN 137 Ca 0.19 -0.39 -0.14 0.00 -1.94 0.00 0.00 57.00 54.72 3mzn n GLN 137 Cb 0.33 -0.96 -0.04 0.00 0.11 0.00 0.00 30.24 29.69 3mzn n GLN 137 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3mzn s ARG 138 N -1.25 1.12 0.00 -1.09 1.70 -1.17 -4.95 118.95 113.30 3mzn s ARG 138 Ca 0.05 -0.14 0.18 0.00 -0.47 0.00 0.00 55.73 55.35 3mzn s ARG 138 Cb 0.06 0.52 -0.19 0.00 -0.57 0.00 0.00 34.95 34.76 3mzn s ARG 138 CO 0.21 -0.43 0.78 -0.25 -1.08 0.00 0.00 175.30 174.52 3mzn n ASP 139 N 0.18 0.87 -4.01 -2.89 8.00 -1.26 -4.85 116.55 112.60 3mzn n ASP 139 Ca -0.17 -0.94 -0.14 0.00 0.71 0.00 0.00 54.79 54.26 3mzn n ASP 139 Cb 0.61 0.99 -0.13 0.00 -0.02 0.00 0.00 41.12 42.58 3mzn n ASP 139 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mzn s GLU 140 N -2.71 0.46 -0.17 -1.24 2.02 -1.26 -0.31 118.70 115.50 3mzn s GLU 140 Ca 0.07 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3mzn s GLU 140 Cb 0.14 -0.31 0.03 0.00 0.10 0.00 0.00 34.13 34.09 3mzn s GLU 140 CO 0.74 0.07 -0.11 0.08 0.02 0.00 0.00 175.26 176.06 3mzn s VAL 141 N -0.85 1.51 0.30 2.63 1.01 0.41 -4.93 120.40 120.47 3mzn s VAL 141 Ca -0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 3mzn s VAL 141 Cb -0.07 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 3mzn s VAL 141 CO 0.00 0.28 1.37 -1.61 0.00 0.00 0.00 175.10 175.14 3mzn s GLU 142 N 1.48 4.31 0.13 2.72 2.02 -1.26 -0.51 118.70 127.59 3mzn s GLU 142 Ca 0.02 2.27 0.08 0.00 0.02 0.00 0.00 54.97 57.35 3mzn s GLU 142 Cb -0.15 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 3mzn s GLU 142 CO -0.09 -0.31 -0.18 0.00 0.02 0.00 0.00 175.26 174.70 3mzn s ALA 143 N -0.63 1.81 0.25 5.21 0.00 -0.05 -0.91 121.76 127.44 3mzn s ALA 143 Ca 0.54 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3mzn s ALA 143 Cb -0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3mzn s ALA 143 CO 0.49 0.24 0.22 -0.48 0.00 0.00 0.00 175.76 176.23 3mzn s LEU 144 N -2.37 3.89 -0.37 0.00 0.05 -0.66 -4.63 118.68 114.59 3mzn s LEU 144 Ca 0.11 -0.20 -0.24 0.00 0.05 0.00 0.00 54.13 53.85 3mzn s LEU 144 Cb -0.07 -2.42 0.01 0.00 -2.05 0.00 0.00 46.19 41.66 3mzn s LEU 144 CO 0.05 -0.04 0.81 -0.83 -0.55 0.00 0.00 176.35 175.79 3mzn s GLY 145 N -3.86 1.64 -0.73 -3.48 0.00 0.13 -4.41 107.32 96.61 3mzn s GLY 145 Ca 0.33 -0.63 -0.19 0.00 0.00 0.00 0.00 44.72 44.23 3mzn s GLY 145 CO 0.26 1.80 0.88 -0.47 0.00 0.00 0.00 173.10 175.57 3mzn s TYR 146 N 3.17 3.07 0.23 1.90 6.04 -1.26 -1.51 117.35 128.99 3mzn s TYR 146 Ca 0.32 -1.14 -0.14 0.00 0.04 0.00 0.00 57.07 56.15 3mzn s TYR 146 Cb -0.13 -4.12 -0.08 0.00 -1.04 0.00 0.00 41.96 36.59 3mzn s TYR 146 CO 0.17 -1.38 0.64 -0.51 -1.54 0.00 0.00 175.55 172.93 3mzn s LEU 147 N 2.63 4.22 0.03 6.97 1.43 0.12 -4.94 118.68 129.14 3mzn s LEU 147 Ca 0.20 1.17 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 3mzn s LEU 147 Cb -0.15 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 3mzn s LEU 147 CO 0.00 -0.04 -0.10 -0.36 0.23 0.00 0.00 176.35 176.08 3mzn s PHE 148 N -1.71 0.90 0.41 0.29 0.08 -1.26 -0.72 117.98 115.96 3mzn s PHE 148 Ca 0.46 -0.36 -0.26 0.00 0.12 0.00 0.00 56.93 56.90 3mzn s PHE 148 Cb -0.13 -0.54 -0.09 0.00 -0.57 0.00 0.00 43.02 41.70 3mzn s PHE 148 CO 0.19 -0.01 1.26 -0.51 -0.10 0.00 0.00 175.22 176.06 3mzn s LEU 149 N -1.12 4.20 -0.08 -0.37 1.43 -1.26 -4.91 118.68 116.58 3mzn s LEU 149 Ca -0.02 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 3mzn s LEU 149 Cb -0.08 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.21 3mzn s LEU 149 CO 0.01 -0.81 -0.19 -0.76 0.23 0.00 0.00 176.35 174.83 3mzn s LEU 150 N -2.46 1.89 0.73 1.79 1.43 -0.36 -1.05 118.68 120.66 3mzn s LEU 150 Ca 0.57 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3mzn s LEU 150 Cb -0.36 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.77 3mzn s LEU 150 CO 0.46 0.11 1.07 -0.83 0.23 0.00 0.00 176.35 177.40 3mzn s GLY 151 N 0.39 1.67 -0.46 -3.19 0.00 -0.35 -1.61 107.32 103.78 3mzn s GLY 151 Ca -0.14 0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.47 3mzn s GLY 151 CO 0.06 0.49 1.05 -0.35 0.00 0.00 0.00 173.10 174.35 3mzn s ASP 152 N -3.61 6.61 0.59 1.64 2.15 -1.26 -3.96 116.67 118.82 3mzn s ASP 152 Ca 0.59 0.38 0.29 0.00 0.43 0.00 0.00 52.55 54.25 3mzn s ASP 152 Cb -0.15 -2.51 1.77 0.00 -0.30 0.00 0.00 42.92 41.73 3mzn s ASP 152 CO 0.55 -1.14 2.21 -0.65 -0.17 0.00 0.00 175.17 175.97 3mzn h PRO 153 N 9.06 0.00 0.00 4.34 0.11 -1.94 -1.03 132.00 142.55 3mzn h PRO 153 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3mzn h PRO 153 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mzn h PRO 153 CO 1.08 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 3mzn n ASP 154 N -3.83 0.00 -0.09 -2.05 8.00 -1.26 -1.19 116.55 116.13 3mzn n ASP 154 Ca -0.02 0.47 0.14 0.00 0.71 0.00 0.00 54.79 56.10 3mzn n ASP 154 Cb 0.16 -0.49 0.79 0.00 -0.02 0.00 0.00 41.12 41.56 3mzn n ASP 154 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mzn n LYS 155 N -1.49 1.12 -4.45 -1.24 5.02 -0.39 -4.87 118.16 111.86 3mzn n LYS 155 Ca 0.05 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.95 3mzn n LYS 155 Cb 0.23 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 3mzn n LYS 155 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mzn s THR 156 N -1.99 1.46 -0.33 -0.18 -4.23 -0.33 -4.82 115.64 105.21 3mzn s THR 156 Ca 0.42 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.97 3mzn s THR 156 Cb 0.20 -2.64 0.68 0.00 1.34 0.00 0.00 72.50 72.08 3mzn s THR 156 CO 0.33 -0.15 1.75 -0.90 -0.54 0.00 0.00 174.62 175.11 3mzn n ASP 157 N -0.65 4.22 -4.88 3.99 5.68 -1.26 -5.01 116.55 118.64 3mzn n ASP 157 Ca -0.04 -3.36 -0.34 0.00 -0.50 0.00 0.00 54.79 50.55 3mzn n ASP 157 Cb 0.65 -0.73 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 3mzn n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3mzn s LEU 158 N -3.08 4.35 -1.14 -2.12 1.43 -1.26 -5.00 118.68 111.86 3mzn s LEU 158 Ca 0.53 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.20 3mzn s LEU 158 Cb 0.44 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 3mzn s LEU 158 CO 0.11 0.19 3.06 -0.81 0.23 0.00 0.00 176.35 179.13 3mzn n PRO 159 N 0.88 3.33 -1.74 1.29 -0.04 -1.26 -4.94 135.00 132.52 3mzn n PRO 159 Ca -0.09 -2.05 -0.38 0.00 -0.04 0.00 0.00 63.50 60.95 3mzn n PRO 159 Cb 0.52 -2.55 0.06 0.00 -0.04 0.00 0.00 33.50 31.49 3mzn n PRO 159 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mzn n TYR 160 N 2.98 2.13 -1.71 0.54 4.01 -1.26 -4.89 117.16 118.96 3mzn n TYR 160 Ca 0.67 0.42 -0.33 0.00 -0.16 0.00 0.00 57.90 58.50 3mzn n TYR 160 Cb 0.42 -2.32 0.05 0.00 -0.31 0.00 0.00 39.34 37.18 3mzn n TYR 160 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3mzn s PRO 161 N -3.13 2.70 -0.10 -0.72 0.04 -1.26 -5.06 135.00 127.47 3mzn s PRO 161 Ca 0.77 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 3mzn s PRO 161 Cb -0.40 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.26 3mzn s PRO 161 CO 0.45 -1.34 0.21 1.03 0.04 0.00 0.00 177.00 177.39 3mzn s ARG 162 N -4.07 0.13 -0.23 4.56 0.52 -1.26 -4.84 118.95 113.75 3mzn s ARG 162 Ca 0.68 0.58 -0.28 0.00 -0.52 0.00 0.00 55.73 56.18 3mzn s ARG 162 Cb -0.22 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.12 3mzn s ARG 162 CO 0.42 -0.23 1.01 0.08 0.02 0.00 0.00 175.30 176.59 3mzn s VAL 163 N 1.84 4.71 0.19 3.52 1.01 -1.26 -4.92 120.40 125.48 3mzn s VAL 163 Ca -0.03 1.96 -0.07 0.00 0.00 0.00 0.00 61.98 63.83 3mzn s VAL 163 Cb -0.11 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.01 3mzn s VAL 163 CO -0.07 -0.16 1.59 0.00 0.00 0.00 0.00 175.10 176.46 3mzn h ALA 164 N 7.48 0.78 -2.80 5.51 0.00 -2.00 -3.37 119.26 124.87 3mzn h ALA 164 Ca -0.20 -0.38 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 3mzn h ALA 164 Cb 1.07 -0.16 -0.41 0.00 0.00 0.00 0.00 17.79 18.29 3mzn h ALA 164 CO 0.96 0.66 -0.71 -0.25 0.00 0.00 0.00 179.25 179.91 3mzn n ASP 165 N -4.11 1.93 -4.75 0.00 9.92 -1.26 -5.10 116.55 113.18 3mzn n ASP 165 Ca 0.00 -2.96 -0.41 0.00 -0.53 0.00 0.00 54.79 50.89 3mzn n ASP 165 Cb 0.44 -0.69 -0.02 0.00 -0.64 0.00 0.00 41.12 40.22 3mzn n ASP 165 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3mzn s PRO 166 N -1.05 4.19 -0.06 -0.24 0.04 -1.26 -4.91 135.00 131.71 3mzn s PRO 166 Ca 0.28 2.44 0.12 0.00 0.04 0.00 0.00 61.00 63.89 3mzn s PRO 166 Cb -0.00 -3.06 -0.23 0.00 0.04 0.00 0.00 34.50 31.24 3mzn s PRO 166 CO -0.17 -0.52 0.60 0.28 0.04 0.00 0.00 177.00 177.23 3mzn n VAL 167 N 2.17 1.60 -3.87 -0.36 0.31 -1.26 -5.00 118.33 111.92 3mzn n VAL 167 Ca 0.07 -0.80 -0.10 0.00 -0.01 0.00 0.00 64.34 63.51 3mzn n VAL 167 Cb 0.39 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.29 3mzn n VAL 167 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3mzn n ASP 168 N -3.03 -0.96 -0.17 4.52 5.68 -1.26 -5.04 116.55 116.28 3mzn n ASP 168 Ca -0.19 -2.25 -0.00 0.00 -0.50 0.00 0.00 54.79 51.84 3mzn n ASP 168 Cb 1.06 1.77 0.24 0.00 -1.14 0.00 0.00 41.12 43.06 3mzn n ASP 168 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mzn h ALA 169 N 1.85 1.40 -0.76 2.12 0.00 -1.94 -2.35 119.26 119.57 3mzn h ALA 169 Ca -0.19 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3mzn h ALA 169 Cb 0.80 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3mzn h ALA 169 CO 0.25 0.50 0.50 2.35 0.00 0.00 0.00 179.25 182.85 3mzn h TRP 170 N 0.91 0.91 -0.12 0.00 -0.00 -1.96 0.41 115.95 116.10 3mzn h TRP 170 Ca 0.23 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.11 3mzn h TRP 170 Cb 0.03 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 28.87 3mzn h TRP 170 CO 0.01 0.54 -0.10 -0.44 -0.00 0.00 0.00 178.44 178.45 3mzn h ASP 171 N 0.95 0.17 0.04 2.65 3.32 -1.81 -2.82 116.42 118.91 3mzn h ASP 171 Ca 0.30 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 3mzn h ASP 171 Cb 0.01 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3mzn h ASP 171 CO -0.08 0.29 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.02 3mzn h GLU 172 N 0.17 0.08 0.00 3.56 5.08 -0.94 -3.40 114.58 119.13 3mzn h GLU 172 Ca 0.04 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3mzn h GLU 172 Cb 0.29 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3mzn h GLU 172 CO 0.02 1.06 -0.82 -0.39 -1.00 0.00 0.00 179.01 177.88 3mzn h VAL 173 N -0.83 1.42 0.00 3.13 -1.51 -1.29 -3.33 116.25 113.85 3mzn h VAL 173 Ca -0.08 -3.00 -0.01 0.00 -1.23 0.00 0.00 66.70 62.38 3mzn h VAL 173 Cb 1.21 2.69 -0.00 0.00 -2.13 0.00 0.00 31.29 33.06 3mzn h VAL 173 CO 0.01 0.81 -0.03 0.08 -1.23 0.00 0.00 177.57 177.21 3mzn h ARG 174 N 0.00 0.00 -0.18 5.19 0.11 -1.70 -2.69 114.38 115.10 3mzn h ARG 174 Ca -0.01 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 3mzn h ARG 174 Cb 1.63 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.66 3mzn h ARG 174 CO 0.11 0.03 -0.19 0.66 0.10 0.00 0.00 179.97 180.68 3mzn n TYR 175 N -3.17 0.56 -4.52 4.08 4.01 -1.25 -4.79 117.16 112.08 3mzn n TYR 175 Ca -0.00 -1.40 -0.25 0.00 -0.16 0.00 0.00 57.90 56.09 3mzn n TYR 175 Cb 0.26 -0.34 -0.10 0.00 -0.31 0.00 0.00 39.34 38.84 3mzn n TYR 175 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3mzn s ARG 176 N -3.14 1.76 0.36 -0.72 0.52 -1.02 -4.81 118.95 111.90 3mzn s ARG 176 Ca 0.40 -1.91 -0.26 0.00 -0.52 0.00 0.00 55.73 53.44 3mzn s ARG 176 Cb 0.37 -1.55 -0.12 0.00 0.52 0.00 0.00 34.95 34.17 3mzn s ARG 176 CO -0.01 0.10 1.02 -1.91 0.02 0.00 0.00 175.30 174.52 3mzn n GLU 177 N -0.75 1.41 -3.37 3.54 2.13 -1.25 -4.83 120.64 117.51 3mzn n GLU 177 Ca -0.05 0.50 -0.18 0.00 0.66 0.00 0.00 57.16 58.09 3mzn n GLU 177 Cb 0.64 -1.98 -0.08 0.00 0.27 0.00 0.00 31.44 30.29 3mzn n GLU 177 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mzn s ALA 178 N -1.18 -0.33 0.00 4.31 0.00 -0.63 -4.93 121.76 119.00 3mzn s ALA 178 Ca 0.60 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.59 3mzn s ALA 178 Cb -0.61 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3mzn s ALA 178 CO 0.59 -2.09 0.79 -1.33 0.00 0.00 0.00 175.76 173.72 3mzn n MET 179 N 4.35 1.61 -4.32 0.00 2.81 -1.26 -1.22 117.12 119.10 3mzn n MET 179 Ca 0.10 -1.10 -0.17 0.00 -1.81 0.00 0.00 57.70 54.72 3mzn n MET 179 Cb 0.45 -0.93 -0.10 0.00 -0.71 0.00 0.00 33.22 31.93 3mzn n MET 179 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3mzn s THR 180 N -0.62 1.45 0.26 2.03 -4.23 -1.26 -5.03 115.64 108.24 3mzn s THR 180 Ca 0.00 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.36 3mzn s THR 180 Cb 0.00 -2.05 0.23 0.00 1.34 0.00 0.00 72.50 72.03 3mzn s THR 180 CO 0.00 -0.59 1.78 -0.65 -0.54 0.00 0.00 174.62 174.61 3mzn h PRO 181 N 2.60 0.66 -0.47 3.99 0.11 -1.89 -0.84 132.00 136.16 3mzn h PRO 181 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3mzn h PRO 181 Cb 1.21 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3mzn h PRO 181 CO 0.63 0.43 0.24 1.49 -0.21 0.00 0.00 178.00 180.58 3mzn h GLU 182 N 0.68 0.67 -0.50 1.05 4.57 -1.95 -0.89 114.58 118.21 3mzn h GLU 182 Ca 0.44 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.46 3mzn h GLU 182 Cb 0.57 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3mzn h GLU 182 CO -0.33 0.56 0.03 0.00 -1.18 0.00 0.00 179.01 178.09 3mzn h ALA 183 N 1.08 1.11 -0.58 2.92 0.00 -1.78 -0.34 119.26 121.67 3mzn h ALA 183 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3mzn h ALA 183 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mzn h ALA 183 CO -0.02 0.57 0.05 0.28 0.00 0.00 0.00 179.25 180.13 3mzn h VAL 184 N 0.77 1.26 -0.25 0.00 2.07 -0.90 -0.41 116.25 118.79 3mzn h VAL 184 Ca 0.15 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3mzn h VAL 184 Cb 0.42 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3mzn h VAL 184 CO 0.02 0.38 -0.15 0.00 0.02 0.00 0.00 177.57 177.84 3mzn h ALA 185 N 0.99 1.28 -0.14 1.67 0.00 -0.77 -2.13 119.26 120.16 3mzn h ALA 185 Ca 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3mzn h ALA 185 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mzn h ALA 185 CO 0.02 0.48 -0.27 -0.91 0.00 0.00 0.00 179.25 178.57 3mzn h ASN 186 N 0.40 0.26 -0.34 0.00 2.35 -0.60 0.10 115.58 117.74 3mzn h ASN 186 Ca 0.07 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3mzn h ASN 186 Cb 0.50 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3mzn h ASN 186 CO 0.03 0.53 0.17 -0.07 -1.65 0.00 0.00 177.43 176.45 3mzn h LEU 187 N 0.23 0.43 -0.59 1.61 3.38 -0.58 -1.92 115.31 117.88 3mzn h LEU 187 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mzn h LEU 187 Cb 0.61 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3mzn h LEU 187 CO 0.04 0.42 0.37 0.00 0.09 0.00 0.00 178.44 179.36 3mzn h ALA 188 N 1.03 0.75 -0.30 1.53 0.00 -0.95 0.60 119.26 121.92 3mzn h ALA 188 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3mzn h ALA 188 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mzn h ALA 188 CO -0.02 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.55 3mzn h ARG 189 N 0.80 0.46 -0.57 0.00 3.08 -0.90 0.10 114.38 117.35 3mzn h ARG 189 Ca 0.21 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3mzn h ARG 189 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3mzn h ARG 189 CO -0.04 0.50 0.13 0.00 -1.07 0.00 0.00 179.97 179.49 3mzn h ALA 190 N 0.94 0.75 -0.21 0.04 0.00 -1.16 -1.40 119.26 118.22 3mzn h ALA 190 Ca 0.10 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3mzn h ALA 190 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mzn h ALA 190 CO -0.00 0.46 -0.40 0.00 0.00 0.00 0.00 179.25 179.30 3mzn h ALA 191 N 1.02 0.91 -0.57 0.00 0.00 -0.77 -2.69 119.26 117.16 3mzn h ALA 191 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3mzn h ALA 191 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3mzn h ALA 191 CO 0.00 0.63 0.31 -0.92 0.00 0.00 0.00 179.25 179.28 3mzn h TYR 192 N 0.41 0.78 -0.97 0.00 3.20 -0.58 0.23 116.97 120.03 3mzn h TYR 192 Ca 0.04 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3mzn h TYR 192 Cb 0.89 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3mzn h TYR 192 CO 0.03 0.56 0.64 -0.44 -1.64 0.00 0.00 178.16 177.32 3mzn h ASP 193 N 0.76 1.12 0.14 -2.11 3.32 -1.06 0.16 116.42 118.75 3mzn h ASP 193 Ca 0.20 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 3mzn h ASP 193 Cb 0.04 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.34 3mzn h ASP 193 CO -0.03 0.81 -0.81 -0.09 -1.72 0.00 0.00 179.24 177.40 3mzn h ARG 194 N 1.32 0.30 0.00 3.56 2.43 -1.29 -3.42 114.38 117.28 3mzn h ARG 194 Ca 0.36 -0.51 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 3mzn h ARG 194 Cb -0.15 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3mzn h ARG 194 CO -0.08 1.24 -1.64 0.66 -1.51 0.00 0.00 179.97 178.64 3mzn n TYR 195 N -4.13 0.00 -1.70 2.20 4.01 0.05 -4.91 117.16 112.68 3mzn n TYR 195 Ca -0.14 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.56 3mzn n TYR 195 Cb 0.82 -0.38 -0.01 0.00 -0.31 0.00 0.00 39.34 39.46 3mzn n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mzn n GLY 196 N 1.97 0.40 3.66 2.72 0.00 0.54 -0.80 105.19 113.67 3mzn n GLY 196 Ca -0.08 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 3mzn n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mzn n PHE 197 N -3.56 2.04 0.57 1.61 3.72 -1.26 -2.44 117.46 118.14 3mzn n PHE 197 Ca -0.05 0.47 0.10 0.00 -0.05 0.00 0.00 57.45 57.92 3mzn n PHE 197 Cb 0.38 -2.43 0.12 0.00 -0.94 0.00 0.00 39.48 36.61 3mzn n PHE 197 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3mzn n LYS 198 N 1.94 1.92 -4.15 -1.08 5.02 -1.26 -4.91 118.16 115.65 3mzn n LYS 198 Ca 0.12 -1.83 -0.18 0.00 -2.02 0.00 0.00 58.31 54.40 3mzn n LYS 198 Cb 0.31 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 33.77 3mzn n LYS 198 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mzn s ASP 199 N -1.49 0.79 -0.03 4.39 1.01 -1.26 -1.55 116.67 118.53 3mzn s ASP 199 Ca 0.26 -0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.44 3mzn s ASP 199 Cb 0.17 -0.30 0.00 0.00 1.01 0.00 0.00 42.92 43.80 3mzn s ASP 199 CO 0.25 -0.02 -0.11 -0.36 0.21 0.00 0.00 175.17 175.14 3mzn s PHE 200 N 0.58 1.15 -0.08 4.23 0.08 -0.38 -0.69 117.98 122.88 3mzn s PHE 200 Ca -0.07 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.70 3mzn s PHE 200 Cb -0.11 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 3mzn s PHE 200 CO -0.00 -0.12 -0.18 0.21 -0.10 0.00 0.00 175.22 175.03 3mzn s LYS 201 N 0.17 2.84 -0.21 0.44 2.20 -0.57 -1.78 119.74 122.82 3mzn s LYS 201 Ca -0.03 -0.77 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 3mzn s LYS 201 Cb -0.09 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 3mzn s LYS 201 CO 0.01 0.39 0.11 -1.17 -0.36 0.00 0.00 175.35 174.32 3mzn s LEU 202 N -0.14 3.92 -0.08 5.43 2.96 0.06 0.14 118.68 130.98 3mzn s LEU 202 Ca -0.02 0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 3mzn s LEU 202 Cb -0.14 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3mzn s LEU 202 CO 0.04 0.11 1.24 -0.75 -1.32 0.00 0.00 176.35 175.67 3mzn s LYS 203 N 0.75 4.31 0.00 1.98 2.47 0.10 -1.41 119.74 127.95 3mzn s LYS 203 Ca 0.05 1.71 0.00 0.00 -1.56 0.00 0.00 55.97 56.17 3mzn s LYS 203 Cb -0.13 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.62 3mzn s LYS 203 CO 0.02 -0.54 0.00 0.41 0.16 0.00 0.00 175.35 175.40 3mzn n GLY 204 N 3.47 4.16 2.14 5.54 0.00 0.37 -4.41 105.19 116.46 3mzn n GLY 204 Ca 0.12 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 3mzn n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mzn n GLY 205 N 5.00 0.51 1.07 -0.02 0.00 -1.26 -4.13 105.19 106.36 3mzn n GLY 205 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3mzn n GLY 205 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mzn n VAL 206 N -3.36 0.30 -3.12 1.61 0.31 -1.26 -1.01 118.33 111.80 3mzn n VAL 206 Ca -0.06 0.10 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 3mzn n VAL 206 Cb 0.35 -1.46 0.05 0.00 -0.91 0.00 0.00 33.84 31.87 3mzn n VAL 206 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3mzn n LEU 207 N -3.11 0.00 -4.74 7.52 4.77 -1.26 -0.53 117.00 119.65 3mzn n LEU 207 Ca 0.00 -2.21 -0.37 0.00 -0.03 0.00 0.00 56.01 53.40 3mzn n LEU 207 Cb 0.35 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3mzn n LEU 207 CO 0.00 -0.67 0.89 -0.13 -1.33 0.00 0.00 177.39 176.15 3mzn s ARG 208 N -4.26 2.68 0.22 3.23 0.52 -1.26 -4.79 118.95 115.30 3mzn s ARG 208 Ca 0.50 2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 57.63 3mzn s ARG 208 Cb -0.04 -1.87 0.35 0.00 0.52 0.00 0.00 34.95 33.91 3mzn s ARG 208 CO 0.32 -1.48 1.68 0.78 0.02 0.00 0.00 175.30 176.63 3mzn h GLY 209 N 0.66 0.82 1.58 -3.53 0.00 -1.99 -2.04 103.07 98.58 3mzn h GLY 209 Ca -0.51 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3mzn h GLY 209 CO 0.54 -0.17 0.09 0.83 0.00 0.00 0.00 176.54 177.82 3mzn h GLU 210 N 0.21 0.53 -0.27 4.80 3.07 -1.92 -1.00 114.58 120.01 3mzn h GLU 210 Ca 0.35 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 3mzn h GLU 210 Cb 0.57 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3mzn h GLU 210 CO -0.48 0.49 -0.21 0.93 -1.40 0.00 0.00 179.01 178.34 3mzn h GLU 211 N 0.52 0.50 -0.06 2.33 5.08 -1.74 -1.12 114.58 120.09 3mzn h GLU 211 Ca 0.12 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 3mzn h GLU 211 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3mzn h GLU 211 CO -0.00 0.68 -0.71 0.93 -1.00 0.00 0.00 179.01 178.90 3mzn h GLU 212 N 0.45 0.31 -0.44 2.33 5.08 -1.04 -2.32 114.58 118.95 3mzn h GLU 212 Ca 0.07 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3mzn h GLU 212 Cb 0.61 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3mzn h GLU 212 CO 0.04 0.90 0.10 0.00 -1.00 0.00 0.00 179.01 179.05 3mzn h ALA 213 N 1.03 1.35 -0.44 3.43 0.00 -0.86 -2.04 119.26 121.73 3mzn h ALA 213 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3mzn h ALA 213 Cb 1.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3mzn h ALA 213 CO 0.12 0.46 0.07 -0.44 0.00 0.00 0.00 179.25 179.46 3mzn h ASP 214 N 0.64 0.63 -0.70 0.00 3.32 -0.91 -0.96 116.42 118.45 3mzn h ASP 214 Ca 0.15 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3mzn h ASP 214 Cb 0.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3mzn h ASP 214 CO -0.00 0.65 0.20 0.00 -1.72 0.00 0.00 179.24 178.37 3mzn h ILE 216 N 1.04 1.22 -0.62 0.00 1.08 -0.72 -0.92 117.51 118.58 3mzn h ILE 216 Ca 0.22 -0.52 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3mzn h ILE 216 Cb 0.33 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 3mzn h ILE 216 CO -0.00 0.24 0.40 0.03 -0.69 0.00 0.00 178.15 178.12 3mzn h ARG 217 N 1.02 0.78 -0.72 2.37 3.08 -0.87 -0.61 114.38 119.43 3mzn h ARG 217 Ca 0.26 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3mzn h ARG 217 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3mzn h ARG 217 CO -0.05 0.51 0.24 0.00 -1.07 0.00 0.00 179.97 179.61 3mzn h ALA 218 N 1.24 0.94 -0.62 0.04 0.00 -0.90 -1.28 119.26 118.68 3mzn h ALA 218 Ca 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3mzn h ALA 218 Cb -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3mzn h ALA 218 CO -0.07 0.60 0.24 -0.07 0.00 0.00 0.00 179.25 179.95 3mzn h LEU 219 N 1.05 0.86 -1.04 0.00 3.38 -0.85 -1.48 115.31 117.23 3mzn h LEU 219 Ca 0.23 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3mzn h LEU 219 Cb 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3mzn h LEU 219 CO -0.01 0.80 -0.07 -0.74 0.09 0.00 0.00 178.44 178.51 3mzn h HIS 220 N 0.87 0.64 -0.49 1.13 2.76 -0.78 0.35 115.15 119.64 3mzn h HIS 220 Ca 0.21 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 58.18 3mzn h HIS 220 Cb 0.21 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3mzn h HIS 220 CO 0.01 0.66 -0.13 0.93 -1.30 0.00 0.00 177.93 178.11 3mzn h GLU 221 N 0.56 0.91 -0.20 5.26 4.39 -0.91 -2.23 114.58 122.36 3mzn h GLU 221 Ca 0.11 -0.33 -0.17 0.00 0.34 0.00 0.00 59.36 59.31 3mzn h GLU 221 Cb 0.47 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3mzn h GLU 221 CO 0.02 0.98 -0.57 0.00 -1.16 0.00 0.00 179.01 178.29 3mzn h ALA 222 N 1.03 0.63 -2.51 3.43 0.00 -0.81 -3.39 119.26 117.63 3mzn h ALA 222 Ca 0.13 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 3mzn h ALA 222 Cb 0.66 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 17.98 3mzn h ALA 222 CO 0.05 0.69 -0.90 -0.06 0.00 0.00 0.00 179.25 179.03 3mzn s PHE 223 N -4.00 1.32 0.23 0.00 0.08 0.07 -4.99 117.98 110.69 3mzn s PHE 223 Ca -0.08 -2.31 0.36 0.00 0.12 0.00 0.00 56.93 55.02 3mzn s PHE 223 Cb 0.11 -1.15 1.61 0.00 -0.57 0.00 0.00 43.02 43.02 3mzn s PHE 223 CO 0.85 -0.80 2.07 -1.35 -0.10 0.00 0.00 175.22 175.90 3mzn h PRO 224 N 5.92 0.00 0.00 0.24 0.11 -1.62 -1.90 132.00 134.75 3mzn h PRO 224 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3mzn h PRO 224 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3mzn h PRO 224 CO 0.39 0.00 -0.72 0.39 -0.21 0.00 0.00 178.00 177.85 3mzn n GLU 225 N -3.08 0.02 -2.29 1.05 -0.58 -1.26 -4.97 120.64 109.53 3mzn n GLU 225 Ca -0.00 -0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 3mzn n GLU 225 Cb 0.25 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 3mzn n GLU 225 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mzn s ALA 226 N -3.02 3.08 -0.03 0.62 0.00 -0.72 -5.00 121.76 116.69 3mzn s ALA 226 Ca 0.09 0.94 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 3mzn s ALA 226 Cb 0.17 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3mzn s ALA 226 CO 0.77 -0.56 0.78 1.03 0.00 0.00 0.00 175.76 177.77 3mzn s ARG 227 N -2.47 4.48 0.09 0.00 0.52 -0.60 -4.96 118.95 116.01 3mzn s ARG 227 Ca 0.60 1.04 0.10 0.00 -0.52 0.00 0.00 55.73 56.95 3mzn s ARG 227 Cb -0.29 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 3mzn s ARG 227 CO 0.36 0.07 -0.25 -0.51 0.02 0.00 0.00 175.30 174.99 3mzn s LEU 228 N 0.73 2.25 0.05 2.53 1.43 -1.26 -1.25 118.68 123.17 3mzn s LEU 228 Ca 0.41 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3mzn s LEU 228 Cb -0.19 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3mzn s LEU 228 CO 0.21 0.19 -0.04 0.00 0.23 0.00 0.00 176.35 176.94 3mzn s ALA 229 N -0.96 0.46 -0.02 4.21 0.00 -0.73 -0.28 121.76 124.43 3mzn s ALA 229 Ca 0.12 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3mzn s ALA 229 Cb -0.10 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3mzn s ALA 229 CO 0.04 -0.26 -0.16 -1.17 0.00 0.00 0.00 175.76 174.21 3mzn s LEU 230 N -2.39 1.97 -0.43 0.00 2.96 -1.23 -0.76 118.68 118.80 3mzn s LEU 230 Ca -0.01 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3mzn s LEU 230 Cb 0.01 -0.86 0.14 0.00 0.50 0.00 0.00 46.19 45.97 3mzn s LEU 230 CO -0.06 0.17 0.24 -0.62 -1.32 0.00 0.00 176.35 174.77 3mzn s ASP 231 N -0.19 3.51 0.00 3.68 2.15 -0.50 -0.87 116.67 124.46 3mzn s ASP 231 Ca 0.02 -2.59 0.12 0.00 0.43 0.00 0.00 52.55 50.53 3mzn s ASP 231 Cb -0.08 -0.94 0.53 0.00 -0.30 0.00 0.00 42.92 42.13 3mzn s ASP 231 CO 0.00 -0.27 1.37 -0.81 -0.17 0.00 0.00 175.17 175.30 3mzn n PRO 232 N 3.57 1.35 -3.12 4.34 -0.04 -1.22 -0.48 135.00 139.41 3mzn n PRO 232 Ca 0.10 -0.54 -0.23 0.00 -0.04 0.00 0.00 63.50 62.79 3mzn n PRO 232 Cb 0.35 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.61 3mzn n PRO 232 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3mzn n ASN 233 N -0.16 -5.70 -0.13 3.54 4.13 -1.21 -2.10 115.26 113.62 3mzn n ASN 233 Ca 0.10 -0.32 -0.02 0.00 1.68 0.00 0.00 54.58 56.02 3mzn n ASN 233 Cb 0.16 -4.62 -0.01 0.00 -1.54 0.00 0.00 39.78 33.78 3mzn n ASN 233 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mzn n GLY 234 N -1.49 0.51 0.19 7.41 0.00 0.23 -4.91 105.19 107.14 3mzn n GLY 234 Ca -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 3mzn n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mzn h ALA 235 N 0.00 1.10 -2.51 4.61 0.00 -1.57 -3.28 119.26 117.62 3mzn h ALA 235 Ca -0.04 -0.43 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 3mzn h ALA 235 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3mzn h ALA 235 CO 0.05 0.60 0.17 -1.58 0.00 0.00 0.00 179.25 178.49 3mzn s TRP 236 N -4.08 3.66 0.57 0.00 0.51 -1.25 -4.13 118.94 114.21 3mzn s TRP 236 Ca -0.04 1.49 -0.19 0.00 -2.12 0.00 0.00 56.10 55.23 3mzn s TRP 236 Cb 0.13 -2.69 -0.04 0.00 -0.81 0.00 0.00 33.47 30.06 3mzn s TRP 236 CO 0.77 0.30 1.20 0.15 -0.51 0.00 0.00 176.95 178.86 3mzn s LYS 237 N -2.01 3.09 0.18 4.98 -0.14 -1.26 -3.98 119.74 120.59 3mzn s LYS 237 Ca 0.45 1.81 -0.19 0.00 -1.36 0.00 0.00 55.97 56.68 3mzn s LYS 237 Cb -0.17 -1.98 0.11 0.00 -1.68 0.00 0.00 37.83 34.11 3mzn s LYS 237 CO 0.22 -1.11 1.62 1.25 -0.76 0.00 0.00 175.35 176.57 3mzn h LEU 238 N 1.04 -0.78 -0.93 3.17 5.85 -1.90 0.80 115.31 122.55 3mzn h LEU 238 Ca -0.50 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.44 3mzn h LEU 238 Cb 1.29 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 3mzn h LEU 238 CO 0.56 -0.25 0.60 0.44 -0.34 0.00 0.00 178.44 179.44 3mzn h ASP 239 N -0.14 0.97 -0.46 1.25 3.32 -2.00 -1.22 116.42 118.14 3mzn h ASP 239 Ca 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3mzn h ASP 239 Cb 0.47 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3mzn h ASP 239 CO -0.53 0.65 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.41 3mzn h GLU 240 N 1.12 0.95 -0.61 3.56 4.57 -1.68 -1.17 114.58 121.32 3mzn h GLU 240 Ca 0.39 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3mzn h GLU 240 Cb 0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3mzn h GLU 240 CO -0.15 1.03 0.27 0.00 -1.18 0.00 0.00 179.01 178.99 3mzn h ALA 241 N 0.98 0.79 -0.61 2.92 0.00 -0.06 0.12 119.26 123.40 3mzn h ALA 241 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3mzn h ALA 241 Cb 0.70 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3mzn h ALA 241 CO 0.05 0.38 0.17 0.28 0.00 0.00 0.00 179.25 180.13 3mzn h VAL 242 N 0.85 1.25 -0.68 0.00 2.07 -1.16 -0.53 116.25 118.05 3mzn h VAL 242 Ca 0.21 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3mzn h VAL 242 Cb 0.16 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3mzn h VAL 242 CO -0.02 0.33 0.40 -0.09 0.02 0.00 0.00 177.57 178.21 3mzn h ARG 243 N 0.89 0.93 0.14 1.57 2.43 -0.51 -1.85 114.38 117.97 3mzn h ARG 243 Ca 0.19 -0.09 -0.30 0.00 -0.81 0.00 0.00 59.98 58.97 3mzn h ARG 243 Cb 0.33 -0.19 0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3mzn h ARG 243 CO -0.00 0.66 -1.28 0.28 -1.51 0.00 0.00 179.97 178.12 3mzn h VAL 244 N 0.92 1.30 0.00 0.20 2.07 -0.68 -3.38 116.25 116.68 3mzn h VAL 244 Ca 0.24 -2.54 -0.25 0.00 0.82 0.00 0.00 66.70 64.97 3mzn h VAL 244 Cb -0.02 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 3mzn h VAL 244 CO -0.04 0.77 -1.48 -0.07 0.02 0.00 0.00 177.57 176.77 3mzn h LEU 245 N 0.24 0.00 -0.67 2.57 3.38 -1.05 -3.38 115.31 116.40 3mzn h LEU 245 Ca -0.20 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.92 3mzn h LEU 245 Cb 1.96 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.60 3mzn h LEU 245 CO 0.24 0.94 0.07 -0.08 0.09 0.00 0.00 178.44 179.70 3mzn h GLU 246 N 0.00 0.17 0.00 1.13 4.57 -1.51 -0.08 114.58 118.86 3mzn h GLU 246 Ca -0.20 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3mzn h GLU 246 Cb 1.89 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 3mzn h GLU 246 CO 0.09 0.12 0.00 -1.35 -1.18 0.00 0.00 179.01 176.68 3mzn h PRO 247 N 0.18 0.00 0.00 0.92 0.11 -1.80 -3.05 132.00 128.36 3mzn h PRO 247 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3mzn h PRO 247 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3mzn h PRO 247 CO -0.52 0.00 -0.01 0.44 -0.21 0.00 0.00 178.00 177.70 3mzn n ILE 248 N -2.64 1.06 0.28 4.15 -5.35 -0.60 -4.77 119.36 111.48 3mzn n ILE 248 Ca 0.01 -1.12 0.13 0.00 -0.27 0.00 0.00 62.75 61.50 3mzn n ILE 248 Cb 0.23 0.42 0.81 0.00 -1.74 0.00 0.00 39.64 39.35 3mzn n ILE 248 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3mzn h LYS 249 N 0.00 0.00 0.00 6.28 2.10 -0.93 0.98 116.57 125.00 3mzn h LYS 249 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mzn h LYS 249 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3mzn h LYS 249 CO 0.00 0.06 0.00 0.72 -2.00 0.00 0.00 179.45 178.23 3mzn n HIS 250 N -3.85 0.00 0.80 0.07 8.25 -1.26 -2.75 115.22 116.48 3mzn n HIS 250 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3mzn n HIS 250 Cb 0.15 -0.39 0.14 0.00 1.12 0.00 0.00 29.99 31.00 3mzn n HIS 250 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3mzn n LEU 251 N -1.39 0.61 -4.66 2.41 4.77 0.33 -4.92 117.00 114.15 3mzn n LEU 251 Ca 0.10 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 3mzn n LEU 251 Cb 0.29 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 3mzn n LEU 251 CO 0.25 0.08 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.34 3mzn s LEU 252 N -3.49 3.67 0.11 2.23 1.43 -1.11 -4.28 118.68 117.25 3mzn s LEU 252 Ca 0.08 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3mzn s LEU 252 Cb 0.16 -1.88 -0.12 0.00 0.03 0.00 0.00 46.19 44.38 3mzn s LEU 252 CO 0.75 0.29 1.33 0.28 0.23 0.00 0.00 176.35 179.23 3mzn h SER 253 N 5.80 0.89 -5.06 2.29 0.02 -0.94 -3.48 113.55 113.07 3mzn h SER 253 Ca -0.44 -0.58 -0.03 0.00 -0.84 0.00 0.00 61.79 59.90 3mzn h SER 253 Cb 1.19 -0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.35 3mzn h SER 253 CO 0.60 1.37 0.05 -0.72 -1.14 0.00 0.00 176.83 176.99 3mzn s TYR 254 N -3.75 -0.24 -0.11 3.45 -0.85 -1.25 -4.39 117.35 110.22 3mzn s TYR 254 Ca -0.10 -0.07 -0.01 0.00 -0.52 0.00 0.00 57.07 56.38 3mzn s TYR 254 Cb 0.09 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 3mzn s TYR 254 CO 0.90 -0.85 -0.07 0.00 -1.52 0.00 0.00 175.55 174.01 3mzn s ALA 255 N -3.83 2.92 -0.24 9.51 0.00 -0.75 -3.50 121.76 125.87 3mzn s ALA 255 Ca 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 3mzn s ALA 255 Cb -0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3mzn s ALA 255 CO -0.08 0.39 0.15 -2.00 0.00 0.00 0.00 175.76 174.22 3mzn s GLU 256 N -0.18 4.03 -0.96 0.00 2.12 -0.05 -1.20 118.70 122.46 3mzn s GLU 256 Ca 0.02 -0.29 -0.26 0.00 0.36 0.00 0.00 54.97 54.80 3mzn s GLU 256 Cb -0.13 -3.50 0.04 0.00 0.26 0.00 0.00 34.13 30.80 3mzn s GLU 256 CO 0.03 0.06 0.55 -0.25 -0.54 0.00 0.00 175.26 175.11 3mzn n ASP 257 N 4.27 -3.42 0.19 -1.70 8.00 0.03 -3.45 116.55 120.47 3mzn n ASP 257 Ca -0.15 -1.05 0.04 0.00 0.71 0.00 0.00 54.79 54.34 3mzn n ASP 257 Cb 0.52 -1.30 0.46 0.00 -0.02 0.00 0.00 41.12 40.78 3mzn n ASP 257 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3mzn h PRO 258 N -1.46 0.07 -4.62 -0.24 0.13 -1.87 0.67 132.00 124.68 3mzn h PRO 258 Ca -0.58 -0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.15 3mzn h PRO 258 Cb 1.16 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 3mzn h PRO 258 CO 0.41 0.25 -0.40 0.00 -0.23 0.00 0.00 178.00 178.03 3mzn n GLY 260 N -0.57 4.04 3.77 0.00 0.00 -1.24 -4.48 105.19 106.70 3mzn n GLY 260 Ca 0.05 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 3mzn n GLY 260 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mzn s GLN 261 N 1.83 4.26 -0.19 1.61 -2.07 -1.26 -4.22 119.66 119.61 3mzn s GLN 261 Ca 0.00 2.05 -0.28 0.00 -1.82 0.00 0.00 55.36 55.31 3mzn s GLN 261 Cb 0.00 -2.94 0.12 0.00 -1.09 0.00 0.00 33.01 29.09 3mzn s GLN 261 CO 0.00 -0.21 0.97 -1.83 -1.32 0.00 0.00 175.29 172.90 3mzn s GLU 262 N -1.93 0.62 -1.49 9.60 -1.05 -0.81 -4.91 118.70 118.73 3mzn s GLU 262 Ca 0.51 0.34 -0.13 0.00 -0.15 0.00 0.00 54.97 55.55 3mzn s GLU 262 Cb -0.36 0.30 0.09 0.00 -0.44 0.00 0.00 34.13 33.72 3mzn s GLU 262 CO 0.47 -0.15 0.76 0.41 0.95 0.00 0.00 175.26 177.70 3mzn n GLY 263 N 1.32 -0.49 1.87 -3.83 0.00 -1.26 -0.66 105.19 102.15 3mzn n GLY 263 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mzn n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mzn n GLY 264 N -1.45 1.96 3.85 -0.02 0.00 -1.26 -5.04 105.19 103.24 3mzn n GLY 264 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3mzn n GLY 264 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mzn s PHE 265 N -2.50 3.61 0.75 1.61 0.08 0.17 -5.09 117.98 116.61 3mzn s PHE 265 Ca 0.00 0.92 -0.12 0.00 0.12 0.00 0.00 56.93 57.85 3mzn s PHE 265 Cb 0.00 -2.25 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3mzn s PHE 265 CO 0.00 0.50 1.11 -1.54 -0.10 0.00 0.00 175.22 175.19 3mzn s SER 266 N -1.67 4.99 0.54 1.36 1.04 -1.26 -1.92 113.70 116.79 3mzn s SER 266 Ca 0.34 1.10 0.22 0.00 0.48 0.00 0.00 55.95 58.08 3mzn s SER 266 Cb -0.15 -1.82 1.48 0.00 0.10 0.00 0.00 66.02 65.64 3mzn s SER 266 CO 0.18 -1.63 2.18 1.23 0.98 0.00 0.00 173.24 176.18 3mzn h GLY 267 N -0.86 0.00 1.07 7.32 0.00 -1.91 -1.16 103.07 107.53 3mzn h GLY 267 Ca -0.46 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3mzn h GLY 267 CO 0.63 0.00 -0.29 3.21 0.00 0.00 0.00 176.54 180.09 3mzn h ARG 268 N 0.00 0.89 -0.16 4.80 3.08 -1.90 -0.61 114.38 120.47 3mzn h ARG 268 Ca -0.00 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 3mzn h ARG 268 Cb 0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3mzn h ARG 268 CO 0.00 1.08 0.01 0.93 -1.07 0.00 0.00 179.97 180.92 3mzn h GLU 269 N 0.70 0.27 -0.54 0.04 5.08 -1.77 -1.35 114.58 117.00 3mzn h GLU 269 Ca 0.08 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3mzn h GLU 269 Cb 0.87 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3mzn h GLU 269 CO 0.08 0.48 0.02 1.79 -1.00 0.00 0.00 179.01 180.38 3mzn h THR 270 N 0.02 1.25 -0.07 1.13 1.35 -1.22 -2.45 112.91 112.92 3mzn h THR 270 Ca 0.04 -1.04 -0.14 0.00 -0.55 0.00 0.00 66.41 64.72 3mzn h THR 270 Cb 0.36 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 3mzn h THR 270 CO 0.01 0.38 -0.58 0.24 -0.25 0.00 0.00 175.52 175.31 3mzn h MET 271 N 0.85 0.24 -0.93 4.72 2.86 -1.08 0.12 114.93 121.71 3mzn h MET 271 Ca 0.16 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3mzn h MET 271 Cb 0.47 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3mzn h MET 271 CO 0.02 0.75 0.61 0.00 1.06 0.00 0.00 176.91 179.35 3mzn h ALA 272 N 1.22 1.20 -0.27 6.32 0.00 -1.05 -1.16 119.26 125.51 3mzn h ALA 272 Ca -0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3mzn h ALA 272 Cb 1.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3mzn h ALA 272 CO 0.09 0.53 -0.58 1.49 0.00 0.00 0.00 179.25 180.78 3mzn h GLU 273 N 1.22 0.86 -0.40 0.00 4.57 -0.93 -2.31 114.58 117.60 3mzn h GLU 273 Ca 0.35 -0.57 0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3mzn h GLU 273 Cb -0.08 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3mzn h GLU 273 CO -0.09 1.20 -0.03 0.35 -1.18 0.00 0.00 179.01 179.25 3mzn h PHE 274 N 0.65 -0.08 -0.43 0.92 3.57 -0.48 -0.24 116.94 120.85 3mzn h PHE 274 Ca 0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3mzn h PHE 274 Cb 1.19 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 3mzn h PHE 274 CO 0.07 -0.11 0.16 0.87 -2.23 0.00 0.00 178.31 177.07 3mzn h LYS 275 N 0.07 0.32 -0.54 1.11 1.57 -1.02 -1.19 116.57 116.89 3mzn h LYS 275 Ca 0.20 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3mzn h LYS 275 Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3mzn h LYS 275 CO -0.35 0.21 0.17 0.87 -0.57 0.00 0.00 179.45 179.77 3mzn h LYS 276 N 0.33 0.81 0.00 3.15 1.57 -0.87 0.14 116.57 121.70 3mzn h LYS 276 Ca 0.20 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3mzn h LYS 276 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3mzn h LYS 276 CO -0.20 0.70 -0.35 0.00 -0.57 0.00 0.00 179.45 179.03 3mzn h ARG 277 N 0.79 0.00 0.00 3.15 3.08 -0.53 -3.38 114.38 117.48 3mzn h ARG 277 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3mzn h ARG 277 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3mzn h ARG 277 CO -0.01 0.19 -1.14 0.25 -1.07 0.00 0.00 179.97 178.19 3mzn n THR 278 N -3.09 0.09 -0.93 2.04 -2.24 -0.50 -5.00 114.28 104.65 3mzn n THR 278 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3mzn n THR 278 Cb 0.62 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3mzn n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mzn n GLY 279 N 2.62 0.37 3.72 3.38 0.00 0.50 -5.00 105.19 110.78 3mzn n GLY 279 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3mzn n GLY 279 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mzn s LEU 280 N 0.00 4.32 0.59 0.99 2.96 -1.26 -5.04 118.68 121.24 3mzn s LEU 280 Ca 0.00 1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 54.83 3mzn s LEU 280 Cb 0.00 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 3mzn s LEU 280 CO 0.00 -0.07 1.24 -2.84 -1.32 0.00 0.00 176.35 173.36 3mzn s PRO 281 N 0.68 2.95 0.16 0.98 0.02 -1.26 -4.67 135.00 133.85 3mzn s PRO 281 Ca 0.35 1.92 0.10 0.00 0.02 0.00 0.00 61.00 63.39 3mzn s PRO 281 Cb -0.17 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 3mzn s PRO 281 CO 0.16 -1.25 -0.17 0.95 -0.33 0.00 0.00 177.00 176.36 3mzn s THR 282 N -1.51 2.80 0.23 0.99 -4.23 -1.26 -1.81 115.64 110.84 3mzn s THR 282 Ca 0.77 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 3mzn s THR 282 Cb -0.33 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 3mzn s THR 282 CO 0.36 -0.04 -0.08 0.00 -0.54 0.00 0.00 174.62 174.32 3mzn s ALA 283 N -1.50 1.99 -0.07 3.99 0.00 -0.34 -0.93 121.76 124.90 3mzn s ALA 283 Ca 0.21 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 3mzn s ALA 283 Cb -0.09 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3mzn s ALA 283 CO 0.12 -0.08 0.34 -0.08 0.00 0.00 0.00 175.76 176.06 3mzn s THR 284 N -3.14 0.03 -0.15 0.00 -1.32 -0.81 -0.79 115.64 109.45 3mzn s THR 284 Ca 0.25 -0.26 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 3mzn s THR 284 Cb 0.03 -0.58 0.35 0.00 -1.51 0.00 0.00 72.50 70.79 3mzn s THR 284 CO 0.08 -0.14 1.18 -0.46 -2.21 0.00 0.00 174.62 173.07 3mzn n ASN 285 N 1.96 1.81 0.00 8.08 0.23 -1.26 -1.27 115.26 124.81 3mzn n ASN 285 Ca -0.18 -3.37 0.00 0.00 -0.53 0.00 0.00 54.58 50.50 3mzn n ASN 285 Cb 0.57 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3mzn n ASN 285 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3mzn n MET 286 N -1.07 1.13 0.00 -3.83 2.81 -1.26 -4.85 117.12 110.05 3mzn n MET 286 Ca 0.16 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.10 3mzn n MET 286 Cb 0.70 -0.74 0.03 0.00 -0.71 0.00 0.00 33.22 32.50 3mzn n MET 286 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3mzn n ILE 287 N -1.53 0.00 -3.15 2.02 -5.35 -1.26 -4.62 119.36 105.47 3mzn n ILE 287 Ca 0.00 -0.47 -0.20 0.00 -0.27 0.00 0.00 62.75 61.82 3mzn n ILE 287 Cb 0.24 1.19 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 3mzn n ILE 287 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mzn n ALA 288 N 0.34 1.90 0.56 -1.28 0.00 -1.26 -4.56 120.51 116.21 3mzn n ALA 288 Ca 0.06 -3.23 0.07 0.00 0.00 0.00 0.00 53.44 50.33 3mzn n ALA 288 Cb 0.25 -0.91 0.04 0.00 0.00 0.00 0.00 19.45 18.83 3mzn n ALA 288 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mzn n THR 289 N 0.78 0.00 -4.12 0.00 -2.24 -1.26 -4.74 114.28 102.70 3mzn n THR 289 Ca 0.22 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 3mzn n THR 289 Cb 0.61 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 70.03 3mzn n THR 289 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mzn s ASP 290 N -1.29 1.18 0.30 3.42 1.47 -1.26 -4.88 116.67 115.61 3mzn s ASP 290 Ca 0.14 -1.59 0.08 0.00 1.18 0.00 0.00 52.55 52.36 3mzn s ASP 290 Cb 0.11 0.67 0.46 0.00 -0.34 0.00 0.00 42.92 43.82 3mzn s ASP 290 CO 0.22 -1.30 1.69 1.88 0.68 0.00 0.00 175.17 178.33 3mzn h TYR 291 N 2.07 0.18 -0.13 2.11 0.05 -1.98 -1.07 116.97 118.19 3mzn h TYR 291 Ca -0.27 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.33 3mzn h TYR 291 Cb 1.24 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.94 3mzn h TYR 291 CO 1.69 0.59 -0.41 -0.22 -1.05 0.00 0.00 178.16 178.77 3mzn h LYS 292 N 0.12 0.51 -0.80 4.88 1.63 -1.99 -0.40 116.57 120.52 3mzn h LYS 292 Ca 0.01 -0.37 -0.03 0.00 -0.85 0.00 0.00 60.65 59.41 3mzn h LYS 292 Cb 0.88 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.54 3mzn h LYS 292 CO 0.07 0.99 0.40 1.96 -3.45 0.00 0.00 179.45 179.42 3mzn h GLN 293 N 0.12 1.14 -0.78 1.90 4.20 -1.86 -2.57 115.11 117.27 3mzn h GLN 293 Ca -0.01 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3mzn h GLN 293 Cb 1.03 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 3mzn h GLN 293 CO 0.09 0.87 0.30 1.25 -0.67 0.00 0.00 178.83 180.67 3mzn h LEU 294 N 1.12 1.08 -0.43 1.46 5.85 -1.05 0.46 115.31 123.80 3mzn h LEU 294 Ca 0.28 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3mzn h LEU 294 Cb 0.10 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 3mzn h LEU 294 CO -0.04 0.96 0.10 -0.61 -0.34 0.00 0.00 178.44 178.51 3mzn h GLN 295 N 1.13 0.23 -0.02 1.25 4.15 -0.75 0.18 115.11 121.27 3mzn h GLN 295 Ca 0.26 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.51 3mzn h GLN 295 Cb 0.23 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3mzn h GLN 295 CO -0.02 0.15 -0.67 1.88 -1.93 0.00 0.00 178.83 178.24 3mzn h TYR 296 N 0.23 0.13 -0.54 3.99 0.05 -1.07 -1.96 116.97 117.81 3mzn h TYR 296 Ca 0.21 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 3mzn h TYR 296 Cb 0.25 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3mzn h TYR 296 CO -0.20 0.74 0.14 0.00 -1.05 0.00 0.00 178.16 177.80 3mzn h ALA 297 N 1.24 0.71 -0.46 3.88 0.00 -0.35 -2.09 119.26 122.19 3mzn h ALA 297 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3mzn h ALA 297 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3mzn h ALA 297 CO 0.09 0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.93 3mzn h VAL 298 N 0.76 1.27 -0.74 0.00 2.07 -0.91 0.04 116.25 118.74 3mzn h VAL 298 Ca 0.17 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.50 3mzn h VAL 298 Cb 0.32 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3mzn h VAL 298 CO -0.00 0.41 0.49 -0.61 0.02 0.00 0.00 177.57 177.88 3mzn h GLN 299 N 0.72 0.97 -0.01 1.57 5.75 -1.14 -2.27 115.11 120.70 3mzn h GLN 299 Ca 0.12 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3mzn h GLN 299 Cb 0.63 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.96 3mzn h GLN 299 CO 0.04 0.64 -0.30 1.28 -2.65 0.00 0.00 178.83 177.84 3mzn n LEU 300 N -4.43 1.04 -3.62 -2.39 4.77 -0.80 -4.97 117.00 106.60 3mzn n LEU 300 Ca 0.08 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 3mzn n LEU 300 Cb 0.04 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3mzn n LEU 300 CO 0.36 0.20 -0.04 0.59 -1.33 0.00 0.00 177.39 177.17 3mzn n ASN 301 N -0.69 -2.43 0.12 -1.43 4.13 -0.54 -4.74 115.26 109.68 3mzn n ASN 301 Ca 0.11 -0.82 0.07 0.00 1.68 0.00 0.00 54.58 55.62 3mzn n ASN 301 Cb 0.35 -4.19 0.03 0.00 -1.54 0.00 0.00 39.78 34.43 3mzn n ASN 301 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3mzn h SER 302 N -1.78 0.00 -3.15 6.41 0.02 -1.29 -3.41 113.55 110.35 3mzn h SER 302 Ca -0.62 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.07 3mzn h SER 302 Cb 1.35 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.55 3mzn h SER 302 CO 0.53 0.25 -0.60 -0.69 -1.14 0.00 0.00 176.83 175.18 3mzn s VAL 303 N -3.13 -0.22 -0.04 2.27 1.01 -1.26 -4.31 120.40 114.72 3mzn s VAL 303 Ca 0.02 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3mzn s VAL 303 Cb 0.08 -0.31 -0.24 0.00 0.00 0.00 0.00 36.38 35.90 3mzn s VAL 303 CO 0.76 0.12 0.67 0.44 0.00 0.00 0.00 175.10 177.09 3mzn h ASP 304 N 7.99 0.17 -3.27 3.32 3.32 -1.58 -3.44 116.42 122.92 3mzn h ASP 304 Ca -0.23 -0.32 -0.60 0.00 0.02 0.00 0.00 57.03 55.91 3mzn h ASP 304 Cb 1.12 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 40.22 3mzn h ASP 304 CO 0.23 1.28 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.64 3mzn s ILE 305 N -2.60 1.07 0.07 0.35 1.01 -0.11 -0.63 121.20 120.35 3mzn s ILE 305 Ca -0.09 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 58.31 3mzn s ILE 305 Cb 0.08 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 3mzn s ILE 305 CO 0.82 -0.80 1.16 -2.16 0.00 0.00 0.00 174.94 173.95 3mzn s PRO 306 N 1.00 4.47 -0.80 2.79 0.04 -1.25 -1.93 135.00 139.32 3mzn s PRO 306 Ca 0.14 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 3mzn s PRO 306 Cb -0.21 -3.35 0.17 0.00 0.04 0.00 0.00 34.50 31.15 3mzn s PRO 306 CO -0.11 -0.19 0.83 -0.51 0.04 0.00 0.00 177.00 177.06 3mzn s LEU 307 N 0.88 6.10 -1.20 -3.56 1.43 -0.40 -2.69 118.68 119.25 3mzn s LEU 307 Ca 0.57 -2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 51.25 3mzn s LEU 307 Cb -0.28 -2.27 0.19 0.00 0.03 0.00 0.00 46.19 43.86 3mzn s LEU 307 CO 0.30 -0.79 1.43 0.00 0.23 0.00 0.00 176.35 177.52 3mzn n ALA 308 N 5.04 4.11 -1.64 4.21 0.00 -0.30 -4.05 120.51 127.88 3mzn n ALA 308 Ca 0.11 -4.34 -0.47 0.00 0.00 0.00 0.00 53.44 48.75 3mzn n ALA 308 Cb 0.46 -2.93 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 3mzn n ALA 308 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mzn n ASP 309 N 4.87 3.36 0.31 0.00 -0.08 -1.26 -4.60 116.55 119.14 3mzn n ASP 309 Ca 0.35 0.78 0.18 0.00 -1.51 0.00 0.00 54.79 54.58 3mzn n ASP 309 Cb 0.41 -1.40 1.00 0.00 2.34 0.00 0.00 41.12 43.46 3mzn n ASP 309 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mzn h HIS 311 N 0.00 0.00 -0.02 0.00 3.86 -1.89 0.10 115.15 117.19 3mzn h HIS 311 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mzn h HIS 311 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3mzn h HIS 311 CO 0.00 0.35 0.00 1.97 0.86 0.00 0.00 177.93 181.11 3mzn n PHE 312 N -4.01 0.01 0.40 2.45 1.16 -0.68 -3.98 117.46 112.81 3mzn n PHE 312 Ca -0.02 -0.02 0.04 0.00 -1.87 0.00 0.00 57.45 55.59 3mzn n PHE 312 Cb 0.40 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.23 3mzn n PHE 312 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 3mzn n TRP 313 N 0.63 0.00 -0.80 2.97 7.02 -0.45 -4.91 117.44 121.90 3mzn n TRP 313 Ca 0.07 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.65 3mzn n TRP 313 Cb 0.29 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.12 3mzn n TRP 313 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3mzn n THR 314 N -0.97 -0.50 -0.01 -0.99 -2.24 0.34 -3.61 114.28 106.30 3mzn n THR 314 Ca 0.02 0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 62.20 3mzn n THR 314 Cb 0.15 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 3mzn n THR 314 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3mzn h MET 315 N -0.79 0.09 -0.76 -0.78 0.00 -1.91 -0.37 114.93 110.40 3mzn h MET 315 Ca -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 59.70 59.53 3mzn h MET 315 Cb 0.77 -0.01 -0.04 0.00 0.00 0.00 0.00 31.60 32.33 3mzn h MET 315 CO 0.04 0.39 0.36 1.96 0.00 0.00 0.00 176.91 179.66 3mzn h GLN 316 N -0.21 1.10 -0.50 1.72 4.20 -1.94 -2.06 115.11 117.42 3mzn h GLN 316 Ca 0.01 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 3mzn h GLN 316 Cb 0.35 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3mzn h GLN 316 CO 0.00 0.85 0.06 0.78 -0.67 0.00 0.00 178.83 179.86 3mzn h GLY 317 N 1.13 0.90 1.06 3.46 0.00 -1.60 -0.10 103.07 107.92 3mzn h GLY 317 Ca 0.26 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3mzn h GLY 317 CO -0.03 0.57 0.31 0.00 0.00 0.00 0.00 176.54 177.39 3mzn h ALA 318 N 0.96 1.05 -0.47 3.60 0.00 -0.72 -1.02 119.26 122.66 3mzn h ALA 318 Ca 0.15 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3mzn h ALA 318 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mzn h ALA 318 CO 0.01 0.67 -0.18 0.28 0.00 0.00 0.00 179.25 180.03 3mzn h VAL 319 N 1.16 1.27 -0.80 0.00 2.07 -1.22 -1.16 116.25 117.57 3mzn h VAL 319 Ca 0.27 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3mzn h VAL 319 Cb 0.22 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3mzn h VAL 319 CO -0.02 0.46 0.51 0.00 0.02 0.00 0.00 177.57 178.53 3mzn h ALA 320 N 0.97 1.01 -0.87 1.67 0.00 -0.51 0.20 119.26 121.74 3mzn h ALA 320 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3mzn h ALA 320 Cb 0.74 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3mzn h ALA 320 CO 0.06 0.45 0.46 0.28 0.00 0.00 0.00 179.25 180.50 3mzn h VAL 321 N 1.09 1.25 -0.83 0.00 2.07 -1.01 -1.84 116.25 116.98 3mzn h VAL 321 Ca 0.29 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3mzn h VAL 321 Cb -0.09 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.74 3mzn h VAL 321 CO -0.06 0.29 0.38 1.23 0.02 0.00 0.00 177.57 179.43 3mzn h GLY 322 N 1.23 1.29 1.00 2.17 0.00 -0.34 -0.16 103.07 108.26 3mzn h GLY 322 Ca 0.30 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3mzn h GLY 322 CO -0.05 0.63 0.32 0.83 0.00 0.00 0.00 176.54 178.27 3mzn h GLU 323 N 1.19 0.93 -0.50 4.80 5.08 -0.73 -2.03 114.58 123.32 3mzn h GLU 323 Ca 0.28 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3mzn h GLU 323 Cb 0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3mzn h GLU 323 CO -0.03 0.74 0.16 1.25 -1.00 0.00 0.00 179.01 180.12 3mzn h LEU 324 N 0.89 0.74 -0.29 1.33 5.85 -0.95 -2.24 115.31 120.64 3mzn h LEU 324 Ca 0.22 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3mzn h LEU 324 Cb 0.11 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3mzn h LEU 324 CO -0.03 0.75 -0.01 0.00 -0.34 0.00 0.00 178.44 178.81 3mzn h ASN 326 N 0.08 0.98 0.71 0.00 -1.24 -1.21 -1.30 115.58 113.60 3mzn h ASN 326 Ca 0.14 0.02 -0.20 0.00 0.71 0.00 0.00 56.30 56.96 3mzn h ASN 326 Cb 0.19 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3mzn h ASN 326 CO -0.24 0.61 -0.92 -0.33 -1.29 0.00 0.00 177.43 175.25 3mzn h GLU 327 N 1.10 0.13 -0.33 6.67 4.39 -0.83 -3.36 114.58 122.35 3mzn h GLU 327 Ca 0.43 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3mzn h GLU 327 Cb 0.24 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3mzn h GLU 327 CO -0.18 0.96 0.00 0.91 -1.16 0.00 0.00 179.01 179.54 3mzn n TRP 328 N -3.58 1.10 -1.00 4.33 7.02 0.12 -4.95 117.44 120.49 3mzn n TRP 328 Ca -0.03 -0.82 0.00 0.00 -1.02 0.00 0.00 57.50 55.63 3mzn n TRP 328 Cb 0.85 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 3mzn n TRP 328 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mzn n GLY 329 N -0.22 0.50 4.00 6.99 0.00 -0.75 -4.99 105.19 110.73 3mzn n GLY 329 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 3mzn n GLY 329 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mzn s MET 330 N -0.10 2.14 -0.12 1.61 -1.94 -0.56 -5.04 119.30 115.28 3mzn s MET 330 Ca 0.00 -1.22 0.01 0.00 -1.71 0.00 0.00 55.69 52.77 3mzn s MET 330 Cb 0.00 -2.50 0.02 0.00 2.01 0.00 0.00 34.83 34.36 3mzn s MET 330 CO 0.00 -1.02 -0.13 0.99 -0.01 0.00 0.00 175.02 174.85 3mzn s THR 331 N -2.85 1.38 0.30 2.05 2.01 0.19 -4.20 115.64 114.53 3mzn s THR 331 Ca 0.62 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 3mzn s THR 331 Cb -0.07 -1.30 -0.09 0.00 0.01 0.00 0.00 72.50 71.05 3mzn s THR 331 CO 0.40 0.42 1.03 0.86 -0.69 0.00 0.00 174.62 176.65 3mzn s TRP 332 N 1.29 3.63 0.33 4.92 -0.00 -1.26 -3.92 118.94 123.93 3mzn s TRP 332 Ca -0.01 1.75 0.06 0.00 -0.00 0.00 0.00 56.10 57.91 3mzn s TRP 332 Cb -0.14 -3.14 -0.02 0.00 -0.00 0.00 0.00 33.47 30.17 3mzn s TRP 332 CO -0.06 -0.23 0.31 0.41 -0.00 0.00 0.00 176.95 177.38 3mzn n GLY 333 N 1.03 2.81 2.89 5.86 0.00 -1.09 -1.38 105.19 115.31 3mzn n GLY 333 Ca 0.00 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 3mzn n GLY 333 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mzn s SER 334 N -3.27 0.46 0.25 1.61 0.15 -1.26 -1.15 113.70 110.49 3mzn s SER 334 Ca 0.38 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 3mzn s SER 334 Cb 0.02 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.14 3mzn s SER 334 CO 0.27 -0.01 0.50 -2.28 1.20 0.00 0.00 173.24 172.92 3mzn s HIS 335 N 0.33 3.48 0.21 3.44 5.65 -1.26 -1.37 115.29 125.78 3mzn s HIS 335 Ca -0.03 0.57 0.02 0.00 0.25 0.00 0.00 55.06 55.87 3mzn s HIS 335 Cb -0.06 -2.04 -0.05 0.00 -1.18 0.00 0.00 32.58 29.25 3mzn s HIS 335 CO -0.01 0.25 0.01 -1.54 -0.65 0.00 0.00 174.74 172.80 3mzn s SER 336 N -3.09 1.49 0.19 9.88 1.04 -1.26 -4.33 113.70 117.62 3mzn s SER 336 Ca 0.42 -1.23 0.06 0.00 0.48 0.00 0.00 55.95 55.69 3mzn s SER 336 Cb -0.11 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 3mzn s SER 336 CO 0.29 -0.57 -0.12 0.20 0.98 0.00 0.00 173.24 174.03 3mzn s ASN 337 N -3.25 2.24 0.13 7.02 -0.87 -1.26 -4.93 114.94 114.01 3mzn s ASN 337 Ca 0.28 -1.04 -0.35 0.00 -1.57 0.00 0.00 52.86 50.19 3mzn s ASN 337 Cb 0.06 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.25 41.05 3mzn s ASN 337 CO 0.08 -0.26 1.24 0.59 -2.57 0.00 0.00 177.10 176.18 3mzn n ASN 338 N -0.32 1.42 -3.85 -1.22 4.13 -1.26 -4.58 115.26 109.58 3mzn n ASN 338 Ca -0.09 1.13 -0.10 0.00 1.68 0.00 0.00 54.58 57.21 3mzn n ASN 338 Cb 0.61 -1.19 -0.06 0.00 -1.54 0.00 0.00 39.78 37.60 3mzn n ASN 338 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3mzn s HIS 339 N 0.13 0.15 0.11 3.10 -3.43 -1.26 -4.92 115.29 109.17 3mzn s HIS 339 Ca 0.79 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 3mzn s HIS 339 Cb -0.91 0.13 0.02 0.00 -1.43 0.00 0.00 32.58 30.39 3mzn s HIS 339 CO 0.50 -0.79 0.15 1.19 -2.00 0.00 0.00 174.74 173.80 3mzn n PHE 340 N -0.25 -3.28 1.29 0.38 3.72 -1.26 -4.86 117.46 113.20 3mzn n PHE 340 Ca -0.09 -0.28 0.14 0.00 -0.05 0.00 0.00 57.45 57.17 3mzn n PHE 340 Cb 0.63 -0.11 0.68 0.00 -0.94 0.00 0.00 39.48 39.74 3mzn n PHE 340 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3mzn n ASP 341 N -2.98 0.08 -0.04 4.37 5.75 -1.26 -2.74 116.55 119.73 3mzn n ASP 341 Ca 0.03 -0.03 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 3mzn n ASP 341 Cb 0.09 -0.29 -0.12 0.00 -1.03 0.00 0.00 41.12 39.77 3mzn n ASP 341 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3mzn h ILE 342 N 0.07 1.60 -0.58 2.12 2.04 -1.96 -2.79 117.51 118.02 3mzn h ILE 342 Ca 0.00 -1.80 0.06 0.00 1.00 0.00 0.00 64.86 64.12 3mzn h ILE 342 Cb 0.36 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.23 3mzn h ILE 342 CO 0.00 0.47 0.39 0.28 0.00 0.00 0.00 178.15 179.29 3mzn h SER 343 N -0.74 0.48 -0.58 1.72 0.02 -1.84 -0.26 113.55 112.35 3mzn h SER 343 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3mzn h SER 343 Cb 0.78 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 3mzn h SER 343 CO 0.00 0.31 0.31 0.25 -1.14 0.00 0.00 176.83 176.57 3mzn h LEU 344 N 0.55 0.46 -0.15 5.07 5.85 -1.50 -0.32 115.31 125.27 3mzn h LEU 344 Ca 0.25 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3mzn h LEU 344 Cb 0.29 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3mzn h LEU 344 CO -0.07 0.31 0.02 0.00 -0.34 0.00 0.00 178.44 178.35 3mzn h ALA 345 N 1.30 0.20 -0.39 1.25 0.00 -1.03 -2.92 119.26 117.67 3mzn h ALA 345 Ca 0.25 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3mzn h ALA 345 Cb 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3mzn h ALA 345 CO -0.16 -0.13 -0.14 0.52 0.00 0.00 0.00 179.25 179.34 3mzn h MET 346 N 0.01 -0.06 0.00 0.00 2.86 -0.66 -1.97 114.93 115.11 3mzn h MET 346 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3mzn h MET 346 Cb 0.32 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3mzn h MET 346 CO 0.00 -0.04 -0.26 0.00 1.06 0.00 0.00 176.91 177.68 3mzn h MET 347 N -0.06 0.00 -0.16 1.72 -0.00 -1.08 -1.84 114.93 113.50 3mzn h MET 347 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.79 3mzn h MET 347 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 3mzn h MET 347 CO -0.43 0.26 -0.30 1.15 -0.00 0.00 0.00 176.91 177.59 3mzn h THR 348 N 0.00 1.35 -0.39 -0.10 2.02 -1.20 -1.80 112.91 112.80 3mzn h THR 348 Ca -0.00 -1.54 -0.10 0.00 0.77 0.00 0.00 66.41 65.54 3mzn h THR 348 Cb 0.57 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3mzn h THR 348 CO 0.03 0.46 -0.15 0.45 0.37 0.00 0.00 175.52 176.69 3mzn h HIS 349 N 0.11 0.79 0.54 3.16 3.86 -1.00 -1.57 115.15 121.04 3mzn h HIS 349 Ca 0.01 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 3mzn h HIS 349 Cb 0.88 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 29.16 3mzn h HIS 349 CO 0.10 0.82 -0.26 0.28 0.86 0.00 0.00 177.93 179.73 3mzn h VAL 350 N 0.64 0.45 -0.54 2.45 2.07 -1.32 -3.00 116.25 117.00 3mzn h VAL 350 Ca 0.10 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3mzn h VAL 350 Cb 0.62 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3mzn h VAL 350 CO 0.04 0.02 0.36 0.00 0.02 0.00 0.00 177.57 178.01 3mzn h ALA 351 N -0.39 1.70 -0.38 1.67 0.00 -1.29 -2.08 119.26 118.49 3mzn h ALA 351 Ca -0.07 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.88 3mzn h ALA 351 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3mzn h ALA 351 CO 0.12 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.88 3mzn h ALA 352 N 1.68 2.13 -0.09 0.00 0.00 -1.15 -2.42 119.26 119.40 3mzn h ALA 352 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3mzn h ALA 352 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mzn h ALA 352 CO -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3mzn n ALA 353 N -2.56 2.51 -2.68 0.00 0.00 -0.78 0.55 120.51 117.54 3mzn n ALA 353 Ca 0.05 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 3mzn n ALA 353 Cb 0.33 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 3mzn n ALA 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mzn s PRO 355 N 1.73 3.67 2.04 0.00 0.04 -1.26 -4.78 135.00 136.43 3mzn s PRO 355 Ca 0.38 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3mzn s PRO 355 Cb -0.17 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3mzn s PRO 355 CO 0.15 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.09 3mzn n GLY 356 N -2.30 -1.43 3.66 0.56 0.00 -1.26 -4.66 105.19 99.75 3mzn n GLY 356 Ca 0.06 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 3mzn n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mzn s GLU 357 N 0.00 4.22 0.32 1.61 0.41 -1.26 -5.05 118.70 118.95 3mzn s GLU 357 Ca 0.00 0.75 0.09 0.00 -0.41 0.00 0.00 54.97 55.41 3mzn s GLU 357 Cb 0.00 -3.59 -0.05 0.00 -1.78 0.00 0.00 34.13 28.71 3mzn s GLU 357 CO 0.00 -0.31 0.02 0.96 -0.49 0.00 0.00 175.26 175.44 3mzn s ILE 358 N 2.15 2.84 0.40 -1.63 -4.36 -1.26 -4.41 121.20 114.93 3mzn s ILE 358 Ca 0.32 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.76 3mzn s ILE 358 Cb -0.16 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 3mzn s ILE 358 CO 0.10 -0.24 0.62 0.28 0.24 0.00 0.00 174.94 175.95 3mzn s THR 359 N -2.46 4.80 0.25 8.37 -1.32 -0.48 -4.97 115.64 119.82 3mzn s THR 359 Ca 0.34 -0.35 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 3mzn s THR 359 Cb -0.02 -3.77 -0.13 0.00 -1.51 0.00 0.00 72.50 67.07 3mzn s THR 359 CO 0.20 -0.56 1.52 0.00 -2.21 0.00 0.00 174.62 173.57 3mzn n ALA 360 N -1.95 1.82 -1.82 11.08 0.00 -1.26 -4.74 120.51 123.63 3mzn n ALA 360 Ca -0.02 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 3mzn n ALA 360 Cb 0.56 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 3mzn n ALA 360 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3mzn s ILE 361 N 0.14 4.30 0.40 0.00 -4.36 -0.09 -4.60 121.20 117.00 3mzn s ILE 361 Ca 0.68 1.66 -0.26 0.00 -0.26 0.00 0.00 60.65 62.47 3mzn s ILE 361 Cb -0.58 -3.85 -0.09 0.00 1.25 0.00 0.00 42.46 39.19 3mzn s ILE 361 CO 0.47 -0.03 1.30 -1.81 0.24 0.00 0.00 174.94 175.11 3mzn s ASP 362 N -1.83 6.36 -0.01 4.36 1.11 -0.47 -1.66 116.67 124.53 3mzn s ASP 362 Ca 0.54 2.64 -0.12 0.00 0.18 0.00 0.00 52.55 55.80 3mzn s ASP 362 Cb -0.15 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.22 3mzn s ASP 362 CO 0.20 -0.81 0.25 0.28 1.18 0.00 0.00 175.17 176.26 3mzn s THR 363 N -1.26 0.06 -1.96 -1.27 -1.32 -1.26 -4.50 115.64 104.13 3mzn s THR 363 Ca 0.56 -0.53 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 3mzn s THR 363 Cb -0.38 -0.54 0.59 0.00 -1.51 0.00 0.00 72.50 70.66 3mzn s THR 363 CO 0.49 -0.29 1.49 1.41 -2.21 0.00 0.00 174.62 175.51 3mzn n HIS 364 N 1.39 0.91 0.01 9.09 8.25 -1.26 -4.35 115.22 129.26 3mzn n HIS 364 Ca -0.22 -0.45 0.19 0.00 -0.26 0.00 0.00 57.72 56.98 3mzn n HIS 364 Cb 0.56 -0.01 0.67 0.00 1.12 0.00 0.00 29.99 32.33 3mzn n HIS 364 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3mzn h TRP 365 N 3.86 0.03 0.00 4.41 2.91 -1.93 -0.53 115.95 124.71 3mzn h TRP 365 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3mzn h TRP 365 Cb 0.91 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.55 3mzn h TRP 365 CO 0.46 0.01 -0.08 -0.84 -1.03 0.00 0.00 178.44 176.96 3mzn h ILE 366 N 0.03 0.71 0.00 2.65 3.07 -1.96 0.17 117.51 122.17 3mzn h ILE 366 Ca 0.24 -0.32 -0.11 0.00 1.55 0.00 0.00 64.86 66.23 3mzn h ILE 366 Cb 0.92 1.19 -0.02 0.00 -0.27 0.00 0.00 36.82 38.64 3mzn h ILE 366 CO -0.01 0.08 -0.55 -0.50 -1.05 0.00 0.00 178.15 176.12 3mzn h TRP 367 N 0.00 0.00 -0.00 0.16 4.06 -1.47 -3.34 115.95 115.36 3mzn h TRP 367 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mzn h TRP 367 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 3mzn h TRP 367 CO 0.00 0.49 -0.69 1.04 -3.56 0.00 0.00 178.44 175.72 3mzn n GLN 368 N -3.20 1.86 -1.67 0.49 3.00 -0.66 -4.65 117.38 112.56 3mzn n GLN 368 Ca 0.01 -0.09 -0.45 0.00 -0.01 0.00 0.00 57.00 56.45 3mzn n GLN 368 Cb 0.73 -1.24 -0.03 0.00 0.00 0.00 0.00 30.24 29.70 3mzn n GLN 368 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3mzn n ASP 369 N -1.22 2.85 0.00 1.08 2.03 0.49 -1.07 116.55 120.72 3mzn n ASP 369 Ca 0.03 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.46 3mzn n ASP 369 Cb 0.25 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 3mzn n ASP 369 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mzn n GLY 370 N 2.68 2.31 3.79 0.27 0.00 -1.26 -5.05 105.19 107.92 3mzn n GLY 370 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3mzn n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mzn s GLN 371 N -0.56 2.73 -0.17 1.61 -0.21 -0.23 -5.14 119.66 117.68 3mzn s GLN 371 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 53.87 3mzn s GLN 371 Cb 0.00 -2.44 0.14 0.00 1.00 0.00 0.00 33.01 31.71 3mzn s GLN 371 CO 0.00 0.32 1.07 -0.98 -2.12 0.00 0.00 175.29 173.58 3mzn s ARG 372 N -3.84 0.50 0.00 2.91 1.70 -1.26 -4.90 118.95 114.06 3mzn s ARG 372 Ca 0.34 0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 3mzn s ARG 372 Cb -0.07 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 3mzn s ARG 372 CO 0.24 -0.17 0.42 0.44 -1.08 0.00 0.00 175.30 175.15 3mzn n ILE 373 N 0.51 0.14 -3.96 4.99 -5.35 -1.26 -4.73 119.36 109.70 3mzn n ILE 373 Ca -0.07 -0.37 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 3mzn n ILE 373 Cb 0.59 1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 39.66 3mzn n ILE 373 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3mzn s THR 374 N -0.14 3.17 0.26 7.28 -4.23 -1.26 -0.72 115.64 119.99 3mzn s THR 374 Ca 0.00 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3mzn s THR 374 Cb 0.00 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.82 3mzn s THR 374 CO 0.00 -0.16 1.67 0.03 -0.54 0.00 0.00 174.62 175.62 3mzn h ARG 375 N 1.40 0.48 -2.29 3.99 3.08 -1.01 -3.41 114.38 116.62 3mzn h ARG 375 Ca -0.44 -0.21 -0.51 0.00 0.07 0.00 0.00 59.98 58.90 3mzn h ARG 375 Cb 1.25 -0.01 -0.36 0.00 0.08 0.00 0.00 29.97 30.93 3mzn h ARG 375 CO 0.61 0.75 -0.82 -1.21 -1.07 0.00 0.00 179.97 178.23 3mzn s GLU 376 N -4.36 0.67 0.33 0.04 2.02 -1.26 -5.09 118.70 111.05 3mzn s GLU 376 Ca -0.07 -1.36 -0.27 0.00 0.02 0.00 0.00 54.97 53.30 3mzn s GLU 376 Cb 0.13 -1.11 -0.13 0.00 0.10 0.00 0.00 34.13 33.12 3mzn s GLU 376 CO 0.80 -1.25 0.96 -2.30 0.02 0.00 0.00 175.26 173.49 3mzn n PRO 377 N 3.79 1.26 -1.53 0.39 -0.02 -1.26 -4.91 135.00 132.73 3mzn n PRO 377 Ca 0.16 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 3mzn n PRO 377 Cb 0.42 -1.85 0.08 0.00 -0.02 0.00 0.00 33.50 32.13 3mzn n PRO 377 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mzn n PHE 378 N -0.06 1.27 -4.71 6.00 3.01 -1.26 -4.99 117.46 116.73 3mzn n PHE 378 Ca 0.10 0.41 -0.33 0.00 1.01 0.00 0.00 57.45 58.64 3mzn n PHE 378 Cb 0.34 -2.17 -0.12 0.00 -0.01 0.00 0.00 39.48 37.53 3mzn n PHE 378 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3mzn s GLN 379 N -3.33 2.64 -0.33 -1.08 -0.21 -1.26 -5.09 119.66 111.01 3mzn s GLN 379 Ca 0.78 -0.61 -0.16 0.00 0.02 0.00 0.00 55.36 55.39 3mzn s GLN 379 Cb -0.37 -2.51 -0.02 0.00 1.00 0.00 0.00 33.01 31.12 3mzn s GLN 379 CO 0.45 0.65 0.40 0.42 -2.12 0.00 0.00 175.29 175.09 3mzn s ILE 380 N -0.80 5.13 -0.02 1.08 1.01 -1.26 -4.42 121.20 121.93 3mzn s ILE 380 Ca 0.12 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.03 3mzn s ILE 380 Cb -0.11 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3mzn s ILE 380 CO 0.01 -0.06 -0.04 -0.13 0.00 0.00 0.00 174.94 174.72 3mzn s ARG 381 N 2.12 0.51 -1.42 2.79 0.52 -0.59 -4.64 118.95 118.25 3mzn s ARG 381 Ca 0.14 -0.11 -0.10 0.00 -0.52 0.00 0.00 55.73 55.14 3mzn s ARG 381 Cb -0.16 -0.54 0.07 0.00 0.52 0.00 0.00 34.95 34.83 3mzn s ARG 381 CO 0.12 0.01 0.65 -0.25 0.02 0.00 0.00 175.30 175.84 3mzn n ASP 382 N 3.51 -4.48 -0.18 0.23 10.43 -0.96 -1.60 116.55 123.50 3mzn n ASP 382 Ca -0.20 -0.48 -0.02 0.00 2.57 0.00 0.00 54.79 56.66 3mzn n ASP 382 Cb 0.54 -3.65 -0.01 0.00 1.84 0.00 0.00 41.12 39.84 3mzn n ASP 382 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mzn n GLY 383 N -1.38 0.50 3.17 0.44 0.00 0.02 -4.78 105.19 103.15 3mzn n GLY 383 Ca -0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3mzn n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mzn s LYS 384 N -1.32 0.83 -0.03 1.61 1.02 -0.63 -0.87 119.74 120.35 3mzn s LYS 384 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 3mzn s LYS 384 Cb 0.00 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.69 3mzn s LYS 384 CO 0.00 0.10 0.06 -0.51 -0.92 0.00 0.00 175.35 174.08 3mzn s LEU 385 N -2.26 3.82 -0.04 3.17 1.43 0.33 -1.54 118.68 123.59 3mzn s LEU 385 Ca 0.03 0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 3mzn s LEU 385 Cb -0.05 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3mzn s LEU 385 CO 0.01 0.31 0.49 -0.89 0.23 0.00 0.00 176.35 176.50 3mzn s THR 386 N -1.09 5.04 -0.39 5.49 2.01 -1.26 -0.45 115.64 124.98 3mzn s THR 386 Ca 0.19 1.01 -0.23 0.00 0.31 0.00 0.00 61.69 62.97 3mzn s THR 386 Cb -0.12 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.59 3mzn s THR 386 CO 0.10 0.44 0.79 -0.69 -0.69 0.00 0.00 174.62 174.57 3mzn s VAL 387 N -0.19 4.69 0.79 3.82 1.01 0.58 -4.95 120.40 126.16 3mzn s VAL 387 Ca 0.27 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 3mzn s VAL 387 Cb -0.17 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.03 3mzn s VAL 387 CO 0.13 -0.54 1.19 -2.84 0.00 0.00 0.00 175.10 173.04 3mzn s PRO 388 N 3.20 1.77 0.00 2.72 0.02 -1.26 -4.90 135.00 136.55 3mzn s PRO 388 Ca 0.31 1.68 0.08 0.00 0.02 0.00 0.00 61.00 63.10 3mzn s PRO 388 Cb -0.13 -1.80 0.16 0.00 0.02 0.00 0.00 34.50 32.75 3mzn s PRO 388 CO 0.19 -2.10 1.01 1.63 -0.33 0.00 0.00 177.00 177.40 3mzn n LYS 389 N -3.24 1.77 -1.58 5.54 5.02 -1.26 -4.87 118.16 119.54 3mzn n LYS 389 Ca 0.13 -1.53 -0.29 0.00 -2.02 0.00 0.00 58.31 54.60 3mzn n LYS 389 Cb 0.51 -1.18 0.14 0.00 -0.02 0.00 0.00 35.03 34.48 3mzn n LYS 389 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mzn s THR 390 N -0.87 1.98 0.53 -0.18 -4.23 -1.26 -4.48 115.64 107.13 3mzn s THR 390 Ca 0.14 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 3mzn s THR 390 Cb 0.08 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 71.07 3mzn s THR 390 CO 0.11 0.00 1.02 -2.84 -0.54 0.00 0.00 174.62 172.37 3mzn s PRO 391 N -5.36 3.72 4.03 3.99 0.02 -1.26 -2.94 135.00 137.19 3mzn s PRO 391 Ca 0.65 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3mzn s PRO 391 Cb -0.13 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3mzn s PRO 391 CO 0.53 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 3mzn n GLY 392 N -0.94 0.84 0.15 0.52 0.00 0.36 -2.83 105.19 103.29 3mzn n GLY 392 Ca 0.08 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.47 3mzn n GLY 392 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mzn h LEU 393 N 0.00 0.00 0.13 0.99 3.38 -1.88 -1.28 115.31 116.65 3mzn h LEU 393 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3mzn h LEU 393 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mzn h LEU 393 CO 0.00 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.11 3mzn n GLY 394 N 0.48 0.36 3.37 0.83 0.00 -1.13 -4.93 105.19 104.16 3mzn n GLY 394 Ca 0.03 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 3mzn n GLY 394 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mzn s ILE 395 N -2.05 1.40 -0.18 -0.61 -4.36 -1.26 -5.05 121.20 109.08 3mzn s ILE 395 Ca 0.00 -2.10 -0.00 0.00 -0.26 0.00 0.00 60.65 58.29 3mzn s ILE 395 Cb 0.00 -2.32 0.04 0.00 1.25 0.00 0.00 42.46 41.43 3mzn s ILE 395 CO 0.00 -0.38 -0.06 -0.70 0.24 0.00 0.00 174.94 174.04 3mzn s GLU 396 N -3.77 1.56 0.29 0.37 2.56 -1.26 -5.06 118.70 113.40 3mzn s GLU 396 Ca 0.27 -0.65 -0.30 0.00 0.00 0.00 0.00 54.97 54.30 3mzn s GLU 396 Cb 0.04 -2.18 -0.11 0.00 2.00 0.00 0.00 34.13 33.88 3mzn s GLU 396 CO 0.09 -0.46 1.58 -1.17 -0.56 0.00 0.00 175.26 174.74 3mzn s LEU 397 N 1.56 4.35 -0.52 2.70 2.96 -1.26 -0.42 118.68 128.04 3mzn s LEU 397 Ca -0.01 2.93 -0.14 0.00 -0.22 0.00 0.00 54.13 56.69 3mzn s LEU 397 Cb -0.16 -3.63 0.12 0.00 0.50 0.00 0.00 46.19 43.02 3mzn s LEU 397 CO -0.08 -0.89 0.45 -0.62 -1.32 0.00 0.00 176.35 173.89 3mzn s ASP 398 N 0.47 6.06 0.28 3.68 -1.08 0.10 -4.66 116.67 121.52 3mzn s ASP 398 Ca 0.63 -1.77 -0.03 0.00 -0.52 0.00 0.00 52.55 50.85 3mzn s ASP 398 Cb -0.47 -2.16 0.37 0.00 -1.46 0.00 0.00 42.92 39.20 3mzn s ASP 398 CO 0.48 -0.80 1.93 0.44 0.52 0.00 0.00 175.17 177.74 3mzn h ASP 399 N 8.77 1.00 -0.70 -0.34 3.32 -1.93 -0.33 116.42 126.21 3mzn h ASP 399 Ca -0.28 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 3mzn h ASP 399 Cb 1.09 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3mzn h ASP 399 CO 0.98 0.76 0.25 0.44 -1.72 0.00 0.00 179.24 179.95 3mzn h ASP 400 N 1.15 1.00 -0.33 6.45 3.32 -1.95 -0.38 116.42 125.69 3mzn h ASP 400 Ca 0.30 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 3mzn h ASP 400 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3mzn h ASP 400 CO -0.06 0.92 -0.38 0.11 -1.72 0.00 0.00 179.24 178.11 3mzn h LYS 401 N 1.02 0.88 -0.36 3.56 1.79 -1.68 -0.55 116.57 121.23 3mzn h LYS 401 Ca 0.23 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 3mzn h LYS 401 Cb 0.26 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 3mzn h LYS 401 CO -0.01 1.10 0.21 1.25 -1.08 0.00 0.00 179.45 180.92 3mzn h LEU 402 N 0.72 0.45 -1.01 2.94 5.85 -0.87 -0.01 115.31 123.38 3mzn h LEU 402 Ca 0.06 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3mzn h LEU 402 Cb 0.96 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3mzn h LEU 402 CO 0.09 0.40 -0.27 0.24 -0.34 0.00 0.00 178.44 178.56 3mzn h MET 403 N 0.47 0.39 -0.22 1.25 2.86 -0.89 0.14 114.93 118.93 3mzn h MET 403 Ca 0.13 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3mzn h MET 403 Cb 0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3mzn h MET 403 CO -0.02 0.63 0.11 1.49 1.06 0.00 0.00 176.91 180.18 3mzn h GLU 404 N 0.35 0.32 -0.33 1.72 4.81 -0.79 -0.11 114.58 120.55 3mzn h GLU 404 Ca 0.05 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3mzn h GLU 404 Cb 0.66 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3mzn h GLU 404 CO 0.05 0.32 -0.03 0.00 -0.73 0.00 0.00 179.01 178.63 3mzn h ALA 405 N 0.98 1.35 -0.54 2.92 0.00 -0.45 -2.00 119.26 121.53 3mzn h ALA 405 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3mzn h ALA 405 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mzn h ALA 405 CO -0.01 0.45 -0.01 1.25 0.00 0.00 0.00 179.25 180.93 3mzn h HIS 406 N 0.49 1.04 -0.71 0.00 -0.00 -0.43 -1.54 115.15 113.99 3mzn h HIS 406 Ca 0.10 -0.18 -0.05 0.00 -0.00 0.00 0.00 60.37 60.24 3mzn h HIS 406 Cb 0.36 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 3mzn h HIS 406 CO 0.01 0.95 0.24 1.49 -0.00 0.00 0.00 177.93 180.62 3mzn h GLU 407 N 0.82 1.09 -0.25 5.26 4.57 -0.69 -1.38 114.58 124.00 3mzn h GLU 407 Ca 0.15 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3mzn h GLU 407 Cb 0.54 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3mzn h GLU 407 CO 0.03 0.91 0.11 1.15 -1.18 0.00 0.00 179.01 180.04 3mzn h THR 408 N 1.05 0.97 -0.51 0.32 2.02 -1.24 -1.85 112.91 113.68 3mzn h THR 408 Ca 0.23 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.41 3mzn h THR 408 Cb 0.27 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 3mzn h THR 408 CO -0.01 0.04 0.16 0.22 0.37 0.00 0.00 175.52 176.30 3mzn h TYR 409 N 0.25 0.28 0.00 3.16 3.20 -1.00 -1.86 116.97 121.00 3mzn h TYR 409 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3mzn h TYR 409 Cb 0.05 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3mzn h TYR 409 CO -0.11 0.07 -0.11 0.87 -1.64 0.00 0.00 178.16 177.24 3mzn h LYS 410 N 0.32 0.00 0.00 1.82 1.57 -0.80 -2.01 116.57 117.48 3mzn h LYS 410 Ca 0.25 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3mzn h LYS 410 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3mzn h LYS 410 CO -0.27 0.11 -0.15 0.00 -0.57 0.00 0.00 179.45 178.57 3mzn h ARG 411 N 0.00 0.00 -6.98 3.15 3.08 -0.52 -3.46 114.38 109.65 3mzn h ARG 411 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.56 3mzn h ARG 411 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 3mzn h ARG 411 CO 0.01 0.15 0.42 -0.51 -1.07 0.00 0.00 179.97 178.97 3mzn s LEU 412 N -6.37 4.08 0.00 3.04 1.43 -0.76 -4.95 118.68 115.15 3mzn s LEU 412 Ca 0.04 2.07 0.19 0.00 -1.03 0.00 0.00 54.13 55.40 3mzn s LEU 412 Cb 0.07 -4.25 0.86 0.00 0.03 0.00 0.00 46.19 42.90 3mzn s LEU 412 CO 0.65 -0.60 1.59 0.47 0.23 0.00 0.00 176.35 178.69 3mzn n ASP 413 N -0.27 0.98 -4.30 2.29 8.00 -1.26 -4.91 116.55 117.09 3mzn n ASP 413 Ca 0.06 -1.61 -0.17 0.00 0.71 0.00 0.00 54.79 53.77 3mzn n ASP 413 Cb 0.50 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 3mzn n ASP 413 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3mzn s VAL 414 N -1.87 1.53 0.00 2.53 -7.23 -1.26 -5.05 120.40 109.05 3mzn s VAL 414 Ca 0.29 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3mzn s VAL 414 Cb 0.15 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3mzn s VAL 414 CO 0.23 -0.59 0.26 0.35 -0.31 0.00 0.00 175.10 175.04 3mzn n THR 415 N -0.15 0.00 -3.78 5.32 -2.24 -1.26 -5.03 114.28 107.14 3mzn n THR 415 Ca -0.10 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3mzn n THR 415 Cb 0.60 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 70.02 3mzn n THR 415 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mzn s GLN 416 N -0.16 1.10 0.30 -0.78 -2.07 -1.26 -3.89 119.66 112.89 3mzn s GLN 416 Ca 0.00 -0.90 -0.30 0.00 -1.82 0.00 0.00 55.36 52.34 3mzn s GLN 416 Cb 0.00 0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 32.24 3mzn s GLN 416 CO 0.00 -0.42 1.60 0.50 -1.32 0.00 0.00 175.29 175.66 3mzn s ARG 417 N -3.87 4.11 -0.27 9.60 3.52 -1.26 -5.01 118.95 125.77 3mzn s ARG 417 Ca 0.08 2.60 -0.02 0.00 -0.13 0.00 0.00 55.73 58.25 3mzn s ARG 417 Cb 0.02 -3.02 0.11 0.00 -1.56 0.00 0.00 34.95 30.51 3mzn s ARG 417 CO -0.07 -0.65 0.22 1.21 -0.81 0.00 0.00 175.30 175.20 3mzn s ASN 418 N 0.50 2.34 0.00 -2.12 2.47 -1.26 -5.01 114.94 111.86 3mzn s ASN 418 Ca 0.63 -0.87 0.30 0.00 0.42 0.00 0.00 52.86 53.35 3mzn s ASN 418 Cb -0.48 0.15 1.45 0.00 -1.45 0.00 0.00 41.25 40.92 3mzn s ASN 418 CO 0.48 -0.40 2.02 0.47 -3.72 0.00 0.00 177.10 175.96 3mzn n ASP 419 N 5.29 0.02 0.14 -4.21 9.92 -1.26 -3.62 116.55 122.83 3mzn n ASP 419 Ca -0.04 -0.02 0.02 0.00 -0.53 0.00 0.00 54.79 54.22 3mzn n ASP 419 Cb 0.45 -0.32 0.09 0.00 -0.64 0.00 0.00 41.12 40.70 3mzn n ASP 419 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mzn h ALA 420 N 3.34 0.72 0.47 2.24 0.00 -1.81 -0.40 119.26 123.82 3mzn h ALA 420 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3mzn h ALA 420 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3mzn h ALA 420 CO 0.00 0.66 -0.31 1.98 0.00 0.00 0.00 179.25 181.58 3mzn h MET 421 N 0.00 -0.72 0.00 0.00 -1.53 -1.87 -2.71 114.93 108.11 3mzn h MET 421 Ca -0.01 0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.28 3mzn h MET 421 Cb 1.30 0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 32.51 3mzn h MET 421 CO 0.07 -0.48 -0.12 0.00 0.14 0.00 0.00 176.91 176.51 3mzn h ALA 422 N -0.29 1.27 0.00 0.39 0.00 -1.76 -2.31 119.26 116.57 3mzn h ALA 422 Ca -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3mzn h ALA 422 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mzn h ALA 422 CO 0.04 0.15 -0.23 0.52 0.00 0.00 0.00 179.25 179.74 3mzn h MET 423 N 0.00 0.00 -0.04 0.00 2.86 -1.58 -3.01 114.93 113.16 3mzn h MET 423 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mzn h MET 423 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3mzn h MET 423 CO 0.02 0.23 0.02 1.96 1.06 0.00 0.00 176.91 180.19 3mzn h GLN 424 N 0.00 0.06 -0.14 1.72 1.08 -1.34 0.13 115.11 116.62 3mzn h GLN 424 Ca -0.00 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3mzn h GLN 424 Cb 0.52 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3mzn h GLN 424 CO 0.03 0.05 -0.33 1.88 -0.95 0.00 0.00 178.83 179.51 3mzn h TYR 425 N 0.06 0.30 0.13 2.96 0.05 -1.70 -2.88 116.97 115.89 3mzn h TYR 425 Ca 0.02 -0.07 -0.31 0.00 0.05 0.00 0.00 58.73 58.42 3mzn h TYR 425 Cb 0.01 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3mzn h TYR 425 CO 0.00 0.57 -1.60 -0.07 -1.05 0.00 0.00 178.16 176.01 3mzn h LEU 426 N 0.24 0.42 -6.82 3.88 3.38 -1.41 -3.45 115.31 111.54 3mzn h LEU 426 Ca 0.03 -0.87 -0.55 0.00 0.09 0.00 0.00 57.88 56.58 3mzn h LEU 426 Cb 0.69 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.91 3mzn h LEU 426 CO 0.05 1.70 -0.79 -0.63 0.09 0.00 0.00 178.44 178.87 3mzn s ILE 427 N -2.51 0.19 0.19 1.22 1.01 0.34 -5.12 121.20 116.53 3mzn s ILE 427 Ca -0.20 -1.11 -0.32 0.00 0.00 0.00 0.00 60.65 59.02 3mzn s ILE 427 Cb 0.05 -1.17 -0.12 0.00 0.01 0.00 0.00 42.46 41.24 3mzn s ILE 427 CO 0.77 -0.77 1.74 -2.84 0.00 0.00 0.00 174.94 173.84 3mzn s PRO 428 N 1.76 4.13 0.00 2.79 0.02 -1.09 -1.37 135.00 141.25 3mzn s PRO 428 Ca 0.11 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3mzn s PRO 428 Cb -0.18 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3mzn s PRO 428 CO -0.27 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 3mzn n GLY 429 N 4.03 0.52 3.62 0.52 0.00 -1.26 -5.01 105.19 107.61 3mzn n GLY 429 Ca 0.16 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3mzn n GLY 429 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3mzn n TRP 430 N -2.88 1.49 -4.40 1.61 -0.00 -0.47 -5.01 117.44 107.78 3mzn n TRP 430 Ca 0.00 0.64 -0.21 0.00 -0.00 0.00 0.00 57.50 57.94 3mzn n TRP 430 Cb 0.00 -2.29 -0.15 0.00 -0.00 0.00 0.00 31.31 28.87 3mzn n TRP 430 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 3mzn s GLU 431 N -1.71 0.99 0.26 5.87 2.12 -1.26 -4.94 118.70 120.04 3mzn s GLU 431 Ca 0.58 -0.31 -0.31 0.00 0.36 0.00 0.00 54.97 55.30 3mzn s GLU 431 Cb -0.64 -0.92 -0.12 0.00 0.26 0.00 0.00 34.13 32.70 3mzn s GLU 431 CO 0.60 0.11 1.51 0.34 -0.54 0.00 0.00 175.26 177.28 3mzn n PHE 432 N 3.31 2.52 -3.80 5.30 7.35 -1.26 -4.90 117.46 125.97 3mzn n PHE 432 Ca -0.18 0.33 -0.25 0.00 -0.76 0.00 0.00 57.45 56.59 3mzn n PHE 432 Cb 0.54 -2.53 -0.17 0.00 0.35 0.00 0.00 39.48 37.67 3mzn n PHE 432 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3mzn s ASP 433 N 0.42 2.11 0.07 -2.13 3.68 -1.26 -4.88 116.67 114.69 3mzn s ASP 433 Ca 0.66 -0.34 0.12 0.00 2.13 0.00 0.00 52.55 55.12 3mzn s ASP 433 Cb -0.57 -0.60 0.54 0.00 -1.45 0.00 0.00 42.92 40.84 3mzn s ASP 433 CO 0.48 -0.20 1.38 -0.81 0.13 0.00 0.00 175.17 176.16 3mzn n PRO 434 N 5.06 0.04 -0.29 4.34 -0.04 -1.26 -2.55 135.00 140.30 3mzn n PRO 434 Ca -0.09 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3mzn n PRO 434 Cb 0.49 -1.60 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 3mzn n PRO 434 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mzn n LYS 435 N -1.68 2.06 -3.69 0.54 4.76 -1.26 -4.10 118.16 114.79 3mzn n LYS 435 Ca 0.02 -2.75 -0.13 0.00 -2.87 0.00 0.00 58.31 52.57 3mzn n LYS 435 Cb 0.12 -1.68 -0.13 0.00 -1.84 0.00 0.00 35.03 31.50 3mzn n LYS 435 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3mzn s ARG 436 N -2.89 0.17 0.47 1.97 6.06 -1.06 -4.78 118.95 118.88 3mzn s ARG 436 Ca 0.37 0.67 -0.22 0.00 -2.50 0.00 0.00 55.73 54.05 3mzn s ARG 436 Cb 0.32 -0.07 -0.10 0.00 0.06 0.00 0.00 34.95 35.16 3mzn s ARG 436 CO 0.05 -0.24 0.87 -2.30 -2.50 0.00 0.00 175.30 171.18 3mzn n PRO 437 N 4.95 1.05 -0.24 5.12 -0.02 -1.26 -4.56 135.00 140.03 3mzn n PRO 437 Ca -0.13 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 3mzn n PRO 437 Cb 0.51 -1.93 0.16 0.00 -0.02 0.00 0.00 33.50 32.21 3mzn n PRO 437 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mzn h ALA 438 N 1.10 0.83 -0.01 3.55 0.00 -1.08 -1.51 119.26 122.13 3mzn h ALA 438 Ca -0.44 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3mzn h ALA 438 Cb 1.36 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3mzn h ALA 438 CO 0.54 -0.37 -0.39 1.28 0.00 0.00 0.00 179.25 180.30 3mzn n LEU 439 N -5.23 1.34 -4.72 0.00 4.77 0.31 -4.88 117.00 108.59 3mzn n LEU 439 Ca 0.13 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 3mzn n LEU 439 Cb 0.44 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3mzn n LEU 439 CO 0.11 0.26 0.75 -0.69 -1.33 0.00 0.00 177.39 176.49 3mzn s VAL 440 N -2.55 4.33 0.13 4.08 1.01 -0.57 -5.00 120.40 121.83 3mzn s VAL 440 Ca 0.21 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.69 3mzn s VAL 440 Cb 0.19 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 3mzn s VAL 440 CO 0.57 0.22 1.05 -0.70 0.00 0.00 0.00 175.10 176.23 3mzn s GLU 441 N 0.44 4.62 0.00 2.72 2.12 -1.26 -4.54 118.70 122.79 3mzn s GLU 441 Ca 0.52 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.45 3mzn s GLU 441 Cb -0.26 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3mzn s GLU 441 CO 0.30 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3mzn n GLY 442 N 2.28 0.55 3.78 -1.50 0.00 -1.26 -5.11 105.19 103.93 3mzn n GLY 442 Ca 0.03 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3mzn n GLY 442 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mzn s HIS 443 N 0.00 3.60 0.33 1.61 3.76 -1.26 -4.90 115.29 118.43 3mzn s HIS 443 Ca 0.00 0.87 -0.29 0.00 -0.15 0.00 0.00 55.06 55.49 3mzn s HIS 443 Cb 0.00 -2.38 -0.12 0.00 1.11 0.00 0.00 32.58 31.19 3mzn s HIS 443 CO 0.00 0.41 1.47 1.58 -0.85 0.00 0.00 174.74 177.35 3mzn n HIS 444 N 2.78 2.71 -2.89 1.40 -0.00 -1.26 -4.93 115.22 113.02 3mzn n HIS 444 Ca -0.11 0.40 -0.43 0.00 0.46 0.00 0.00 57.72 58.04 3mzn n HIS 444 Cb 0.52 -2.52 -0.05 0.00 -0.12 0.00 0.00 29.99 27.82 3mzn n HIS 444 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 3mzn s HIS 445 N -0.63 2.98 -1.25 1.57 3.76 -1.26 -4.88 115.29 115.58 3mzn s HIS 445 Ca 0.59 0.35 0.10 0.00 -0.15 0.00 0.00 55.06 55.95 3mzn s HIS 445 Cb -0.52 -3.76 0.08 0.00 1.11 0.00 0.00 32.58 29.48 3mzn s HIS 445 CO 0.57 -0.99 0.82 1.58 -0.85 0.00 0.00 174.74 175.86