#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3g n ALA 5 N 0.00 0.00 -2.45 3.14 0.00 -1.26 -4.81 120.51 115.13 1a3g n ALA 5 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1a3g n ALA 5 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1a3g n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a3g s ASP 6 N 1.37 3.53 0.29 0.00 1.11 -1.26 -4.40 116.67 117.31 1a3g s ASP 6 Ca 0.00 -0.93 0.00 0.00 0.18 0.00 0.00 52.55 51.80 1a3g s ASP 6 Cb 0.00 -0.29 0.00 0.00 1.07 0.00 0.00 42.92 43.70 1a3g s ASP 6 CO 0.00 0.08 0.00 -1.22 1.18 0.00 0.00 175.17 175.21 1a3g n TYR 7 N -0.16 -4.29 -3.72 4.23 4.01 -1.07 -4.61 117.16 111.55 1a3g n TYR 7 Ca -0.09 2.34 -0.16 0.00 -0.16 0.00 0.00 57.90 59.84 1a3g n TYR 7 Cb 0.58 -3.45 -0.16 0.00 -0.31 0.00 0.00 39.34 36.00 1a3g n TYR 7 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a3g s ILE 8 N -1.44 -0.11 0.37 -0.72 1.01 0.18 -4.69 121.20 115.81 1a3g s ILE 8 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 1a3g s ILE 8 Cb 0.00 -0.19 -0.09 0.00 0.01 0.00 0.00 42.46 42.19 1a3g s ILE 8 CO 0.00 0.11 1.21 0.86 0.00 0.00 0.00 174.94 177.12 1a3g s TRP 9 N 1.56 3.09 -0.28 3.97 -0.00 -0.98 -1.21 118.94 125.08 1a3g s TRP 9 Ca -0.04 1.52 -0.10 0.00 -0.00 0.00 0.00 56.10 57.48 1a3g s TRP 9 Cb -0.12 -3.48 0.12 0.00 -0.00 0.00 0.00 33.47 29.98 1a3g s TRP 9 CO -0.04 -1.46 0.61 0.12 -0.00 0.00 0.00 176.95 176.18 1a3g s PHE 10 N -1.30 -1.24 -0.26 5.86 2.19 0.38 -1.92 117.98 121.69 1a3g s PHE 10 Ca 0.54 2.19 0.00 0.00 0.33 0.00 0.00 56.93 59.98 1a3g s PHE 10 Cb -0.34 0.71 0.00 0.00 -1.31 0.00 0.00 43.02 42.08 1a3g s PHE 10 CO 0.43 -0.63 0.00 0.09 1.83 0.00 0.00 175.22 176.95 1a3g n ASN 11 N 5.35 -1.69 0.00 6.13 3.02 0.25 -0.92 115.26 127.41 1a3g n ASN 11 Ca -0.12 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1a3g n ASN 11 Cb 0.50 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1a3g n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3g n GLY 12 N -0.56 1.43 3.43 7.41 0.00 -1.26 -5.03 105.19 110.62 1a3g n GLY 12 Ca -0.04 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1a3g n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a3g s GLU 13 N 0.00 1.57 -0.06 1.61 -1.05 -0.09 -5.10 118.70 115.58 1a3g s GLU 13 Ca 0.00 -1.67 -0.29 0.00 -0.15 0.00 0.00 54.97 52.85 1a3g s GLU 13 Cb 0.00 -1.66 -0.02 0.00 -0.44 0.00 0.00 34.13 32.01 1a3g s GLU 13 CO 0.00 0.32 0.98 -1.64 0.95 0.00 0.00 175.26 175.87 1a3g s MET 14 N -3.32 4.48 0.05 -4.83 -1.94 -1.26 -0.47 119.30 112.01 1a3g s MET 14 Ca 0.26 1.38 0.07 0.00 -1.71 0.00 0.00 55.69 55.69 1a3g s MET 14 Cb -0.05 -3.51 -0.03 0.00 2.01 0.00 0.00 34.83 33.26 1a3g s MET 14 CO 0.12 -0.19 -0.20 0.08 -0.01 0.00 0.00 175.02 174.82 1a3g s VAL 15 N 1.56 1.63 0.62 -6.03 1.01 -0.35 -4.90 120.40 113.93 1a3g s VAL 15 Ca 0.49 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1a3g s VAL 15 Cb -0.19 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1a3g s VAL 15 CO 0.22 0.15 1.28 0.54 0.00 0.00 0.00 175.10 177.29 1a3g n ARG 16 N 1.74 1.25 -0.34 2.72 1.74 -1.26 0.51 116.66 123.03 1a3g n ARG 16 Ca -0.18 0.48 0.19 0.00 -0.77 0.00 0.00 57.85 57.57 1a3g n ARG 16 Cb 0.53 -2.51 0.42 0.00 -1.02 0.00 0.00 32.46 29.89 1a3g n ARG 16 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1a3g h TRP 17 N 0.77 0.88 0.00 -1.55 2.91 -1.82 -2.46 115.95 114.69 1a3g h TRP 17 Ca -0.51 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.54 1a3g h TRP 17 Cb 1.33 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1a3g h TRP 17 CO 0.42 0.10 0.00 0.93 -1.03 0.00 0.00 178.44 178.86 1a3g h GLU 18 N 0.55 0.00 -0.65 2.65 3.07 -1.89 -3.16 114.58 115.15 1a3g h GLU 18 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1a3g h GLU 18 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1a3g h GLU 18 CO -0.38 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.98 1a3g n ASP 19 N -2.66 3.78 -4.51 1.42 8.00 -0.93 -4.72 116.55 116.94 1a3g n ASP 19 Ca 0.03 -1.99 -0.44 0.00 0.71 0.00 0.00 54.79 53.10 1a3g n ASP 19 Cb 0.39 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1a3g n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3g n ALA 20 N 1.51 3.75 -2.46 2.24 0.00 -1.19 -4.91 120.51 119.45 1a3g n ALA 20 Ca 0.22 -4.08 -0.23 0.00 0.00 0.00 0.00 53.44 49.36 1a3g n ALA 20 Cb 0.60 -3.29 -0.10 0.00 0.00 0.00 0.00 19.45 16.66 1a3g n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a3g s LYS 21 N 2.69 1.63 0.07 0.00 1.02 -1.26 -5.11 119.74 118.77 1a3g s LYS 21 Ca 0.48 -1.82 -0.12 0.00 0.02 0.00 0.00 55.97 54.53 1a3g s LYS 21 Cb 0.00 -1.36 0.01 0.00 -0.52 0.00 0.00 37.83 35.96 1a3g s LYS 21 CO 0.04 0.10 0.27 0.54 -0.92 0.00 0.00 175.35 175.37 1a3g s VAL 22 N -2.85 0.10 0.42 3.17 0.11 -1.26 -5.14 120.40 114.94 1a3g s VAL 22 Ca 0.30 -0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 58.27 1a3g s VAL 22 Cb 0.02 -1.08 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1a3g s VAL 22 CO 0.13 -0.46 1.19 -2.28 -3.33 0.00 0.00 175.10 170.35 1a3g s HIS 23 N -3.10 2.98 -1.30 1.54 2.46 -1.26 -4.88 115.29 111.72 1a3g s HIS 23 Ca -0.01 1.53 0.05 0.00 0.47 0.00 0.00 55.06 57.10 1a3g s HIS 23 Cb 0.01 -3.43 0.26 0.00 -0.13 0.00 0.00 32.58 29.29 1a3g s HIS 23 CO -0.07 -1.49 1.06 0.28 -2.47 0.00 0.00 174.74 172.05 1a3g n VAL 24 N -0.07 1.14 -0.82 0.89 0.31 -1.26 -0.77 118.33 117.75 1a3g n VAL 24 Ca 0.05 0.29 0.08 0.00 -0.01 0.00 0.00 64.34 64.74 1a3g n VAL 24 Cb 0.46 -1.19 0.24 0.00 -0.91 0.00 0.00 33.84 32.44 1a3g n VAL 24 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1a3g n MET 25 N -1.35 2.98 -1.75 5.55 2.81 -1.26 -4.91 117.12 119.19 1a3g n MET 25 Ca 0.02 -2.69 -0.40 0.00 -1.81 0.00 0.00 57.70 52.82 1a3g n MET 25 Cb 0.05 -1.74 0.02 0.00 -0.71 0.00 0.00 33.22 30.84 1a3g n MET 25 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1a3g n SER 26 N -0.25 3.12 -0.03 7.83 7.64 0.05 -4.60 113.62 127.38 1a3g n SER 26 Ca 0.20 1.08 -0.10 0.00 1.01 0.00 0.00 58.87 61.06 1a3g n SER 26 Cb 0.81 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 1a3g n SER 26 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1a3g h HIS 27 N 2.07 0.14 -0.95 1.43 2.76 -1.15 -2.95 115.15 116.49 1a3g h HIS 27 Ca -0.51 0.01 0.25 0.00 -2.20 0.00 0.00 60.37 57.92 1a3g h HIS 27 Cb 1.28 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 30.15 1a3g h HIS 27 CO 0.48 0.08 0.66 0.00 -1.30 0.00 0.00 177.93 177.85 1a3g h ALA 28 N 1.10 2.57 0.00 5.26 0.00 -1.61 0.20 119.26 126.78 1a3g h ALA 28 Ca 0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1a3g h ALA 28 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a3g h ALA 28 CO -0.06 -0.87 -0.31 -0.07 0.00 0.00 0.00 179.25 177.94 1a3g h LEU 29 N 0.19 0.00 0.00 0.00 3.38 -1.83 -2.68 115.31 114.37 1a3g h LEU 29 Ca 0.48 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.18 1a3g h LEU 29 Cb 1.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 1a3g h LEU 29 CO -0.11 0.31 -2.02 1.41 0.09 0.00 0.00 178.44 178.12 1a3g n HIS 30 N -3.41 0.00 0.54 1.13 8.25 -0.46 -4.78 115.22 116.50 1a3g n HIS 30 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1a3g n HIS 30 Cb 0.50 -0.71 -0.00 0.00 1.12 0.00 0.00 29.99 30.90 1a3g n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a3g n TYR 31 N -2.84 0.00 -0.22 4.41 4.01 -0.07 -5.01 117.16 117.44 1a3g n TYR 31 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1a3g n TYR 31 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1a3g n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a3g n GLY 32 N 0.98 1.24 2.91 2.72 0.00 -1.01 -4.94 105.19 107.10 1a3g n GLY 32 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1a3g n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a3g n THR 33 N -2.00 1.95 -4.34 2.61 -2.24 -1.26 -3.22 114.28 105.77 1a3g n THR 33 Ca 0.00 -1.44 -0.19 0.00 -2.27 0.00 0.00 64.05 60.15 1a3g n THR 33 Cb 0.00 -2.21 -0.09 0.00 -2.10 0.00 0.00 70.33 65.93 1a3g n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a3g s SER 34 N 4.43 1.62 -0.12 3.42 1.04 -1.26 -2.17 113.70 120.66 1a3g s SER 34 Ca 0.48 -1.59 -0.12 0.00 0.48 0.00 0.00 55.95 55.20 1a3g s SER 34 Cb 0.12 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1a3g s SER 34 CO 0.06 -0.92 0.33 0.54 0.98 0.00 0.00 173.24 174.23 1a3g s VAL 35 N -3.56 0.00 0.32 5.02 0.11 0.59 -1.91 120.40 120.97 1a3g s VAL 35 Ca 0.35 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1a3g s VAL 35 Cb 0.04 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1a3g s VAL 35 CO 0.19 -0.01 0.38 0.72 -3.33 0.00 0.00 175.10 173.04 1a3g s PHE 36 N 0.10 1.24 0.25 1.54 -0.71 -1.16 -1.69 117.98 117.56 1a3g s PHE 36 Ca -0.01 -1.38 -0.01 0.00 -1.04 0.00 0.00 56.93 54.49 1a3g s PHE 36 Cb -0.02 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.45 1a3g s PHE 36 CO 0.01 -1.00 0.25 -1.21 -1.34 0.00 0.00 175.22 171.93 1a3g s GLU 37 N -3.35 1.46 -0.05 1.99 0.41 -0.87 -4.86 118.70 113.43 1a3g s GLU 37 Ca 0.34 -1.68 -0.01 0.00 -0.41 0.00 0.00 54.97 53.21 1a3g s GLU 37 Cb 0.01 0.33 0.03 0.00 -1.78 0.00 0.00 34.13 32.72 1a3g s GLU 37 CO 0.21 -0.53 0.02 0.20 -0.49 0.00 0.00 175.26 174.66 1a3g s GLY 38 N -3.20 0.31 0.03 -1.39 0.00 -1.26 -4.04 107.32 97.77 1a3g s GLY 38 Ca 0.36 0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1a3g s GLY 38 CO 0.16 0.99 -0.09 -0.42 0.00 0.00 0.00 173.10 173.74 1a3g s ILE 39 N 1.64 0.69 0.30 0.90 1.01 -1.04 -4.92 121.20 119.79 1a3g s ILE 39 Ca -0.01 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1a3g s ILE 39 Cb -0.13 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1a3g s ILE 39 CO -0.03 -0.11 0.12 -0.13 0.00 0.00 0.00 174.94 174.79 1a3g s ARG 40 N -1.01 2.48 -0.09 2.79 1.81 -1.26 0.38 118.95 124.06 1a3g s ARG 40 Ca -0.03 -1.39 -0.03 0.00 -1.72 0.00 0.00 55.73 52.57 1a3g s ARG 40 Cb -0.07 -2.27 0.04 0.00 -0.45 0.00 0.00 34.95 32.20 1a3g s ARG 40 CO 0.00 0.25 0.05 0.00 -0.68 0.00 0.00 175.30 174.92 1a3g s TYR 42 N 2.09 2.98 -0.30 0.00 1.51 0.40 -2.55 117.35 121.48 1a3g s TYR 42 Ca 0.04 -0.07 -0.20 0.00 -1.01 0.00 0.00 57.07 55.83 1a3g s TYR 42 Cb -0.13 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1a3g s TYR 42 CO -0.05 0.51 0.61 0.34 -1.11 0.00 0.00 175.55 175.84 1a3g s ASP 43 N -2.82 6.48 0.45 2.29 -1.08 -1.26 0.05 116.67 120.78 1a3g s ASP 43 Ca 0.28 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.77 1a3g s ASP 43 Cb -0.10 -2.32 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 1a3g s ASP 43 CO 0.20 -0.44 0.23 -1.54 0.52 0.00 0.00 175.17 174.14 1a3g n SER 44 N 5.81 2.70 0.00 -0.34 3.41 -1.24 -4.85 113.62 119.11 1a3g n SER 44 Ca -0.02 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1a3g n SER 44 Cb 0.49 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1a3g n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a3g n HIS 45 N -1.42 0.00 0.00 7.33 1.44 -0.29 -1.60 115.22 120.68 1a3g n HIS 45 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 1a3g n HIS 45 Cb 0.53 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.16 1a3g n HIS 45 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1a3g n LYS 46 N -1.48 4.09 -0.59 -1.40 2.85 -1.26 -5.09 118.16 115.28 1a3g n LYS 46 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1a3g n LYS 46 Cb 0.00 -0.41 0.26 0.00 -0.65 0.00 0.00 35.03 34.23 1a3g n LYS 46 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1a3g s GLY 47 N -0.18 1.49 -0.32 2.58 0.00 -0.63 -4.85 107.32 105.41 1a3g s GLY 47 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 1a3g s GLY 47 CO 0.00 0.30 1.14 -1.05 0.00 0.00 0.00 173.10 173.49 1a3g n PRO 48 N -5.16 0.00 -3.90 2.90 -0.02 -1.26 -3.67 135.00 123.89 1a3g n PRO 48 Ca 0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1a3g n PRO 48 Cb 0.58 -0.97 -0.15 0.00 -0.02 0.00 0.00 33.50 32.94 1a3g n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a3g s VAL 49 N 2.51 0.07 -0.16 -1.45 1.01 0.11 -0.35 120.40 122.13 1a3g s VAL 49 Ca 0.71 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 1a3g s VAL 49 Cb -0.97 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1a3g s VAL 49 CO 0.50 0.04 0.27 -0.69 0.00 0.00 0.00 175.10 175.22 1a3g s VAL 50 N 0.22 5.32 -0.18 2.92 1.01 -0.99 0.15 120.40 128.85 1a3g s VAL 50 Ca -0.02 0.50 -0.25 0.00 0.00 0.00 0.00 61.98 62.21 1a3g s VAL 50 Cb -0.03 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1a3g s VAL 50 CO -0.01 0.40 0.83 0.12 0.00 0.00 0.00 175.10 176.44 1a3g s PHE 51 N 0.40 3.40 -1.25 5.22 5.36 -0.41 -2.58 117.98 128.13 1a3g s PHE 51 Ca 0.15 1.23 -0.07 0.00 -0.96 0.00 0.00 56.93 57.28 1a3g s PHE 51 Cb -0.13 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.53 1a3g s PHE 51 CO 0.03 -0.27 0.69 0.54 -1.46 0.00 0.00 175.22 174.75 1a3g n ARG 52 N 5.37 -3.18 0.08 10.12 1.74 -0.24 -4.51 116.66 126.05 1a3g n ARG 52 Ca 0.05 0.55 -0.05 0.00 -0.77 0.00 0.00 57.85 57.62 1a3g n ARG 52 Cb 0.49 -4.77 -0.03 0.00 -1.02 0.00 0.00 32.46 27.13 1a3g n ARG 52 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1a3g h HIS 53 N -1.80 -0.39 -0.99 -1.55 2.76 -1.80 -1.41 115.15 109.98 1a3g h HIS 53 Ca -0.63 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 57.72 1a3g h HIS 53 Cb 1.36 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 30.38 1a3g h HIS 53 CO 0.41 -0.18 0.61 -0.09 -1.30 0.00 0.00 177.93 177.38 1a3g h ARG 54 N -0.27 0.73 0.00 5.26 2.43 -1.95 0.14 114.38 120.71 1a3g h ARG 54 Ca -0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1a3g h ARG 54 Cb 0.24 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1a3g h ARG 54 CO -0.02 0.48 -0.42 0.93 -1.51 0.00 0.00 179.97 179.43 1a3g h GLU 55 N 0.75 0.00 -0.06 0.20 3.07 -1.92 0.01 114.58 116.62 1a3g h GLU 55 Ca 0.54 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.18 1a3g h GLU 55 Cb 0.86 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.78 1a3g h GLU 55 CO -0.32 0.42 -0.85 0.45 -1.40 0.00 0.00 179.01 177.31 1a3g h HIS 56 N 0.00 0.78 0.00 4.33 3.86 0.37 -2.49 115.15 122.01 1a3g h HIS 56 Ca -0.00 -0.38 -0.07 0.00 -1.16 0.00 0.00 60.37 58.76 1a3g h HIS 56 Cb 0.86 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 1a3g h HIS 56 CO 0.00 1.19 -0.33 0.52 0.86 0.00 0.00 177.93 180.17 1a3g h MET 57 N 0.35 0.00 0.00 2.45 2.86 -0.84 0.20 114.93 119.95 1a3g h MET 57 Ca -0.07 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 1a3g h MET 57 Cb 1.47 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 1a3g h MET 57 CO 0.16 0.33 -0.86 0.37 1.06 0.00 0.00 176.91 177.97 1a3g h GLN 58 N 0.00 0.00 -0.33 1.72 5.75 -1.02 -1.48 115.11 119.76 1a3g h GLN 58 Ca -0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 1a3g h GLN 58 Cb 1.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1a3g h GLN 58 CO 0.04 0.86 -0.44 -0.09 -2.65 0.00 0.00 178.83 176.55 1a3g h ARG 59 N 0.00 0.84 0.09 1.69 2.43 -0.73 0.14 114.38 118.83 1a3g h ARG 59 Ca -0.01 -0.46 0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1a3g h ARG 59 Cb 1.54 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.07 1a3g h ARG 59 CO 0.11 1.10 -0.31 1.25 -1.51 0.00 0.00 179.97 180.61 1a3g h LEU 60 N 0.67 -0.90 -1.33 3.80 6.46 -0.87 0.24 115.31 123.38 1a3g h LEU 60 Ca 0.04 0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.99 1a3g h LEU 60 Cb 1.02 0.35 -0.05 0.00 -0.73 0.00 0.00 40.66 41.24 1a3g h LEU 60 CO 0.10 -0.39 0.51 0.45 -0.62 0.00 0.00 178.44 178.49 1a3g h HIS 61 N -0.51 0.82 -0.27 1.25 3.86 -0.79 -2.83 115.15 116.69 1a3g h HIS 61 Ca 0.04 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1a3g h HIS 61 Cb 0.56 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1a3g h HIS 61 CO -0.29 0.41 -0.25 -0.44 0.86 0.00 0.00 177.93 178.21 1a3g h ASP 62 N 0.79 0.52 -0.89 2.45 3.32 0.23 -1.66 116.42 121.17 1a3g h ASP 62 Ca 0.35 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1a3g h ASP 62 Cb 0.33 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1a3g h ASP 62 CO -0.13 0.77 0.51 0.28 -1.72 0.00 0.00 179.24 178.95 1a3g h SER 63 N 0.45 1.10 -0.02 6.45 0.02 -0.93 -1.70 113.55 118.93 1a3g h SER 63 Ca 0.07 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 1a3g h SER 63 Cb 0.68 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1a3g h SER 63 CO 0.05 0.87 -0.71 0.00 -1.14 0.00 0.00 176.83 175.90 1a3g h ALA 64 N 1.31 0.46 -0.36 3.77 0.00 -1.42 -3.09 119.26 119.94 1a3g h ALA 64 Ca 0.32 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1a3g h ALA 64 Cb -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1a3g h ALA 64 CO -0.05 0.71 0.14 -0.22 0.00 0.00 0.00 179.25 179.82 1a3g h LYS 65 N 0.46 0.29 -0.91 0.00 3.64 -0.67 0.91 116.57 120.30 1a3g h LYS 65 Ca -0.03 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1a3g h LYS 65 Cb 1.31 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 1a3g h LYS 65 CO 0.14 0.19 0.52 0.82 -2.27 0.00 0.00 179.45 178.85 1a3g h ILE 66 N 0.30 0.82 0.00 2.00 5.03 -1.25 -2.31 117.51 122.09 1a3g h ILE 66 Ca 0.16 -0.27 -0.05 0.00 -0.12 0.00 0.00 64.86 64.58 1a3g h ILE 66 Cb 0.12 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 33.87 1a3g h ILE 66 CO -0.15 0.14 -1.17 -1.22 -0.68 0.00 0.00 178.15 175.07 1a3g n TYR 67 N -4.76 0.94 -2.58 1.37 4.01 -0.98 -5.02 117.16 110.14 1a3g n TYR 67 Ca 0.18 0.28 -0.05 0.00 -0.16 0.00 0.00 57.90 58.15 1a3g n TYR 67 Cb 0.40 -0.98 0.02 0.00 -0.31 0.00 0.00 39.34 38.47 1a3g n TYR 67 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a3g n ARG 68 N -2.72 -1.66 -3.22 -0.72 1.74 0.31 -5.01 116.66 105.38 1a3g n ARG 68 Ca -0.03 0.19 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1a3g n ARG 68 Cb 0.64 -3.25 -0.08 0.00 -1.02 0.00 0.00 32.46 28.75 1a3g n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a3g s PHE 69 N -3.07 3.20 0.33 -1.55 0.08 -1.04 -4.99 117.98 110.93 1a3g s PHE 69 Ca 0.08 0.32 -0.29 0.00 0.12 0.00 0.00 56.93 57.16 1a3g s PHE 69 Cb -0.04 -2.90 -0.11 0.00 -0.57 0.00 0.00 43.02 39.40 1a3g s PHE 69 CO 0.16 -0.49 1.54 -1.25 -0.10 0.00 0.00 175.22 175.09 1a3g s PRO 70 N 2.42 4.12 -0.06 0.24 0.04 -1.26 -4.76 135.00 135.73 1a3g s PRO 70 Ca 0.20 2.57 0.01 0.00 0.04 0.00 0.00 61.00 63.82 1a3g s PRO 70 Cb -0.15 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.41 1a3g s PRO 70 CO 0.12 -0.59 -0.07 0.08 0.04 0.00 0.00 177.00 176.59 1a3g s VAL 71 N -0.50 0.79 -0.13 -0.36 1.01 -1.26 -4.15 120.40 115.80 1a3g s VAL 71 Ca 0.58 -0.24 0.18 0.00 0.00 0.00 0.00 61.98 62.51 1a3g s VAL 71 Cb -0.47 -0.79 -0.20 0.00 0.00 0.00 0.00 36.38 34.91 1a3g s VAL 71 CO 0.55 0.29 0.56 -1.54 0.00 0.00 0.00 175.10 174.96 1a3g n SER 72 N 4.21 0.46 -4.82 3.32 3.41 -1.26 -4.92 113.62 114.02 1a3g n SER 72 Ca -0.21 0.20 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 1a3g n SER 72 Cb 0.51 0.76 -0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1a3g n SER 72 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1a3g s GLN 73 N -2.95 3.50 0.36 4.33 1.11 -1.26 -5.05 119.66 119.70 1a3g s GLN 73 Ca -0.06 1.07 0.07 0.00 0.01 0.00 0.00 55.36 56.45 1a3g s GLN 73 Cb 0.09 -2.07 -0.00 0.00 -1.01 0.00 0.00 33.01 30.02 1a3g s GLN 73 CO 0.84 -0.65 0.50 -1.54 0.01 0.00 0.00 175.29 174.44 1a3g s SER 74 N -3.07 5.90 0.32 5.90 1.04 -1.26 -4.91 113.70 117.62 1a3g s SER 74 Ca 0.61 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.83 1a3g s SER 74 Cb -0.13 -1.09 0.56 0.00 0.10 0.00 0.00 66.02 65.45 1a3g s SER 74 CO 0.38 -0.51 1.84 0.40 0.98 0.00 0.00 173.24 176.32 1a3g h ILE 75 N 0.83 1.21 -0.11 -1.02 5.03 -1.97 0.59 117.51 122.08 1a3g h ILE 75 Ca -0.44 -0.89 -0.19 0.00 -0.12 0.00 0.00 64.86 63.22 1a3g h ILE 75 Cb 1.26 1.03 -0.00 0.00 -3.03 0.00 0.00 36.82 36.08 1a3g h ILE 75 CO 0.51 0.30 -0.71 0.44 -0.68 0.00 0.00 178.15 178.01 1a3g h ASP 76 N 0.49 0.60 -0.18 1.72 3.32 -1.99 -0.02 116.42 120.36 1a3g h ASP 76 Ca 0.10 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1a3g h ASP 76 Cb 0.41 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1a3g h ASP 76 CO 0.02 1.13 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.26 1a3g h GLU 77 N 0.36 0.38 -0.47 3.56 5.08 -1.73 -1.53 114.58 120.22 1a3g h GLU 77 Ca -0.03 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1a3g h GLU 77 Cb 1.29 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1a3g h GLU 77 CO 0.13 0.67 0.04 -0.07 -1.00 0.00 0.00 179.01 178.78 1a3g h LEU 78 N 0.07 0.71 -0.70 1.33 3.38 0.20 -2.27 115.31 118.03 1a3g h LEU 78 Ca 0.04 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1a3g h LEU 78 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1a3g h LEU 78 CO 0.02 0.75 -0.41 0.24 0.09 0.00 0.00 178.44 179.13 1a3g h MET 79 N 0.71 0.52 0.16 1.13 2.86 -0.60 -2.10 114.93 117.61 1a3g h MET 79 Ca 0.15 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1a3g h MET 79 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1a3g h MET 79 CO 0.01 0.84 -0.23 0.93 1.06 0.00 0.00 176.91 179.52 1a3g h GLU 80 N 0.43 -0.43 -0.18 1.72 4.39 -1.08 -1.72 114.58 117.70 1a3g h GLU 80 Ca 0.04 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1a3g h GLU 80 Cb 0.90 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.58 1a3g h GLU 80 CO 0.08 -0.29 -0.44 0.00 -1.16 0.00 0.00 179.01 177.20 1a3g h ALA 81 N 0.29 -0.61 -0.85 3.43 0.00 -1.33 0.14 119.26 120.34 1a3g h ALA 81 Ca 0.02 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1a3g h ALA 81 Cb 0.45 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1a3g h ALA 81 CO -0.10 -0.94 0.55 0.00 0.00 0.00 0.00 179.25 178.76 1a3g h ARG 83 N 0.78 0.59 0.20 0.00 3.08 -0.34 -2.52 114.38 116.17 1a3g h ARG 83 Ca 0.40 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1a3g h ARG 83 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1a3g h ARG 83 CO -0.16 0.90 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.10 1a3g h ASP 84 N 0.48 -0.23 -0.84 7.04 3.32 0.20 -1.42 116.42 124.97 1a3g h ASP 84 Ca 0.04 -0.15 0.18 0.00 0.02 0.00 0.00 57.03 57.12 1a3g h ASP 84 Cb 0.92 0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 1a3g h ASP 84 CO 0.08 0.02 0.37 0.58 -1.72 0.00 0.00 179.24 178.58 1a3g h VAL 85 N -0.48 0.59 0.32 -1.35 2.07 -0.77 0.43 116.25 117.07 1a3g h VAL 85 Ca -0.03 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1a3g h VAL 85 Cb 0.37 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1a3g h VAL 85 CO 0.05 0.09 -0.15 0.40 0.02 0.00 0.00 177.57 177.97 1a3g h ILE 86 N 0.47 0.70 0.14 4.57 2.04 -1.22 -2.31 117.51 121.90 1a3g h ILE 86 Ca 0.49 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1a3g h ILE 86 Cb 0.82 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1a3g h ILE 86 CO -0.45 0.08 -0.15 -0.09 0.00 0.00 0.00 178.15 177.54 1a3g h ARG 87 N -0.65 -0.31 -0.66 2.37 2.43 -0.39 -1.74 114.38 115.43 1a3g h ARG 87 Ca -0.04 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1a3g h ARG 87 Cb 0.46 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1a3g h ARG 87 CO 0.07 -0.20 0.44 -0.22 -1.51 0.00 0.00 179.97 178.55 1a3g h LYS 88 N -0.32 0.41 -0.01 0.20 3.64 -0.17 0.19 116.57 120.50 1a3g h LYS 88 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a3g h LYS 88 Cb 0.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1a3g h LYS 88 CO -0.04 0.27 -0.05 0.09 -2.27 0.00 0.00 179.45 177.45 1a3g n ASN 89 N -4.47 1.23 -3.82 4.20 3.02 -0.87 -4.93 115.26 109.62 1a3g n ASN 89 Ca 0.12 -1.30 -0.27 0.00 -0.03 0.00 0.00 54.58 53.09 1a3g n ASN 89 Cb 0.43 0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1a3g n ASN 89 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1a3g n ASN 90 N -0.13 -4.35 -4.89 6.41 5.15 0.66 -4.94 115.26 113.17 1a3g n ASN 90 Ca 0.18 -0.75 -0.32 0.00 -0.60 0.00 0.00 54.58 53.10 1a3g n ASN 90 Cb 0.33 -4.12 -0.05 0.00 -0.53 0.00 0.00 39.78 35.41 1a3g n ASN 90 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1a3g s LEU 91 N -7.16 4.23 0.00 1.20 1.43 -0.82 -5.00 118.68 112.56 1a3g s LEU 91 Ca 0.52 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1a3g s LEU 91 Cb -0.26 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1a3g s LEU 91 CO 0.81 0.01 0.00 0.35 0.23 0.00 0.00 176.35 177.75 1a3g n THR 92 N 0.04 0.00 -4.07 5.49 -2.24 -1.26 -4.71 114.28 107.52 1a3g n THR 92 Ca -0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1a3g n THR 92 Cb 0.52 -1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 67.33 1a3g n THR 92 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a3g s SER 93 N -4.80 4.17 0.23 3.42 1.04 -1.26 -4.13 113.70 112.37 1a3g s SER 93 Ca 0.00 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.20 1a3g s SER 93 Cb 0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 1a3g s SER 93 CO 0.00 -0.15 0.19 0.00 0.98 0.00 0.00 173.24 174.26 1a3g s ALA 94 N 1.15 1.18 -0.22 5.32 0.00 -1.06 -1.08 121.76 127.06 1a3g s ALA 94 Ca -0.06 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 1a3g s ALA 94 Cb -0.18 1.38 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 1a3g s ALA 94 CO -0.07 -0.63 0.00 -0.47 0.00 0.00 0.00 175.76 174.60 1a3g s TYR 95 N -4.00 3.02 0.08 0.00 5.04 0.31 -2.09 117.35 119.70 1a3g s TYR 95 Ca 0.38 -0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 54.38 1a3g s TYR 95 Cb 0.06 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 1a3g s TYR 95 CO 0.15 -0.38 0.26 0.42 -1.34 0.00 0.00 175.55 174.66 1a3g s ILE 96 N 1.31 5.33 -0.38 3.14 1.09 0.16 -2.46 121.20 129.39 1a3g s ILE 96 Ca 0.04 -0.25 0.01 0.00 -1.10 0.00 0.00 60.65 59.35 1a3g s ILE 96 Cb -0.15 -3.62 0.14 0.00 -1.06 0.00 0.00 42.46 37.77 1a3g s ILE 96 CO 0.01 0.13 0.22 -0.60 -0.10 0.00 0.00 174.94 174.60 1a3g s ARG 97 N -2.50 0.81 0.33 2.79 6.06 0.16 -2.49 118.95 124.11 1a3g s ARG 97 Ca 0.36 -1.58 -0.23 0.00 -2.50 0.00 0.00 55.73 51.78 1a3g s ARG 97 Cb -0.13 -1.65 -0.10 0.00 0.06 0.00 0.00 34.95 33.13 1a3g s ARG 97 CO 0.26 -1.20 0.90 -2.14 -2.50 0.00 0.00 175.30 170.62 1a3g s PRO 98 N 0.80 4.42 -0.00 5.12 0.02 -1.26 -2.87 135.00 141.22 1a3g s PRO 98 Ca 0.18 1.16 -0.01 0.00 0.02 0.00 0.00 61.00 62.36 1a3g s PRO 98 Cb -0.22 -2.66 -0.00 0.00 0.02 0.00 0.00 34.50 31.64 1a3g s PRO 98 CO -0.00 0.22 0.01 -1.17 -0.33 0.00 0.00 177.00 175.73 1a3g s LEU 99 N -2.34 1.98 -0.14 -5.54 0.20 0.47 -2.05 118.68 111.25 1a3g s LEU 99 Ca 0.52 -0.04 -0.02 0.00 0.69 0.00 0.00 54.13 55.28 1a3g s LEU 99 Cb -0.16 0.06 0.04 0.00 -0.43 0.00 0.00 46.19 45.71 1a3g s LEU 99 CO 0.21 -0.05 -0.00 -0.63 -0.29 0.00 0.00 176.35 175.59 1a3g s ILE 100 N -0.19 0.65 0.11 6.68 1.01 -0.68 -0.46 121.20 128.31 1a3g s ILE 100 Ca -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1a3g s ILE 100 Cb -0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1a3g s ILE 100 CO -0.00 0.06 -0.08 0.72 0.00 0.00 0.00 174.94 175.64 1a3g s PHE 101 N 1.83 0.99 -0.25 3.97 -0.71 -0.93 -0.30 117.98 122.58 1a3g s PHE 101 Ca 0.02 -0.84 -0.27 0.00 -1.04 0.00 0.00 56.93 54.80 1a3g s PHE 101 Cb -0.15 -0.55 0.00 0.00 -1.21 0.00 0.00 43.02 41.12 1a3g s PHE 101 CO -0.07 -0.08 0.93 0.08 -1.34 0.00 0.00 175.22 174.74 1a3g s VAL 102 N -3.38 4.75 0.00 -2.49 1.01 -0.92 -1.76 120.40 117.60 1a3g s VAL 102 Ca 0.12 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1a3g s VAL 102 Cb 0.03 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1a3g s VAL 102 CO -0.03 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1a3g n GLY 103 N 3.62 1.22 3.60 4.51 0.00 -1.26 -2.04 105.19 114.84 1a3g n GLY 103 Ca 0.08 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1a3g n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a3g s ASP 104 N -1.00 6.07 0.36 1.61 -1.08 -1.26 -1.77 116.67 119.60 1a3g s ASP 104 Ca 0.00 1.08 -0.01 0.00 -0.52 0.00 0.00 52.55 53.10 1a3g s ASP 104 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1a3g s ASP 104 CO 0.00 -1.60 0.48 -0.69 0.52 0.00 0.00 175.17 173.88 1a3g s VAL 105 N 6.30 0.00 0.00 1.11 1.01 -1.26 -5.00 120.40 122.56 1a3g s VAL 105 Ca 0.72 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1a3g s VAL 105 Cb -0.18 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1a3g s VAL 105 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1a3g n GLY 106 N -0.61 -2.75 0.77 4.51 0.00 -1.26 -4.74 105.19 101.11 1a3g n GLY 106 Ca 0.02 -1.19 0.05 0.00 0.00 0.00 0.00 46.02 44.90 1a3g n GLY 106 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a3g n MET 107 N 0.00 2.15 -3.58 1.61 1.56 -1.26 -4.65 117.12 112.95 1a3g n MET 107 Ca 0.00 -2.92 -0.38 0.00 -0.27 0.00 0.00 57.70 54.14 1a3g n MET 107 Cb 0.00 -1.75 -0.06 0.00 2.15 0.00 0.00 33.22 33.56 1a3g n MET 107 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1a3g s GLY 108 N -2.41 2.37 0.17 -5.12 0.00 -1.26 -5.01 107.32 96.06 1a3g s GLY 108 Ca 0.40 -0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.64 1a3g s GLY 108 CO 0.04 0.09 1.83 -2.08 0.00 0.00 0.00 173.10 172.97 1a3g h VAL 109 N 3.93 1.10 -2.38 1.40 2.07 -2.03 -3.31 116.25 117.03 1a3g h VAL 109 Ca -0.51 -0.23 -0.58 0.00 0.82 0.00 0.00 66.70 66.20 1a3g h VAL 109 Cb 1.21 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.26 1a3g h VAL 109 CO 0.63 0.12 0.89 0.20 0.02 0.00 0.00 177.57 179.43 1a3g s ASN 110 N -5.63 6.21 0.75 0.57 -0.87 -1.26 -4.99 114.94 109.72 1a3g s ASN 110 Ca -0.13 -0.80 -0.16 0.00 -1.57 0.00 0.00 52.86 50.20 1a3g s ASN 110 Cb 0.12 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 1a3g s ASN 110 CO 0.74 -1.63 0.39 -0.81 -2.57 0.00 0.00 177.10 173.22 1a3g n PRO 111 N 8.59 0.19 -2.12 -0.60 -0.04 -1.25 -4.92 135.00 134.86 1a3g n PRO 111 Ca 0.04 0.10 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 1a3g n PRO 111 Cb 0.48 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1a3g n PRO 111 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1a3g s PRO 112 N -2.70 3.27 0.84 0.54 0.02 -1.26 -5.00 135.00 130.71 1a3g s PRO 112 Ca 0.62 1.40 -0.16 0.00 0.02 0.00 0.00 61.00 62.88 1a3g s PRO 112 Cb -0.33 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.11 1a3g s PRO 112 CO 0.61 -0.87 0.02 0.00 -0.33 0.00 0.00 177.00 176.43 1a3g n ALA 113 N -1.74 -3.18 -2.91 -1.55 0.00 -1.26 -2.75 120.51 107.13 1a3g n ALA 113 Ca 0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 1a3g n ALA 113 Cb 0.52 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1a3g n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3g n GLY 114 N 2.25 -0.48 3.95 0.00 0.00 -1.26 -4.90 105.19 104.75 1a3g n GLY 114 Ca 0.05 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1a3g n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a3g s TYR 115 N -2.25 1.83 0.19 1.61 -0.85 -1.11 -5.09 117.35 111.68 1a3g s TYR 115 Ca 0.17 0.20 -0.08 0.00 -0.52 0.00 0.00 57.07 56.84 1a3g s TYR 115 Cb -0.10 -3.68 -0.01 0.00 0.38 0.00 0.00 41.96 38.55 1a3g s TYR 115 CO 0.20 -2.20 0.30 0.45 -1.52 0.00 0.00 175.55 172.78 1a3g s SER 116 N -4.79 0.04 0.30 -0.18 0.15 -1.26 -4.83 113.70 103.12 1a3g s SER 116 Ca 0.70 -0.99 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1a3g s SER 116 Cb -0.05 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1a3g s SER 116 CO 0.49 -0.94 0.47 0.42 1.20 0.00 0.00 173.24 174.88 1a3g s THR 117 N -4.02 5.13 0.06 6.45 -4.23 -1.26 -4.07 115.64 113.70 1a3g s THR 117 Ca 0.23 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1a3g s THR 117 Cb 0.03 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1a3g s THR 117 CO 0.05 -0.45 -0.12 -1.81 -0.54 0.00 0.00 174.62 171.75 1a3g s ASP 118 N -4.02 4.22 -0.03 3.99 1.01 -0.72 -4.91 116.67 116.21 1a3g s ASP 118 Ca 0.38 -0.35 0.05 0.00 0.71 0.00 0.00 52.55 53.34 1a3g s ASP 118 Cb -0.09 -0.80 -0.01 0.00 1.01 0.00 0.00 42.92 43.02 1a3g s ASP 118 CO 0.33 0.23 -0.17 -0.69 0.21 0.00 0.00 175.17 175.08 1a3g s VAL 119 N -1.05 1.41 0.05 -1.27 1.01 -1.26 -2.18 120.40 117.11 1a3g s VAL 119 Ca 0.18 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1a3g s VAL 119 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1a3g s VAL 119 CO 0.09 0.40 -0.14 -0.63 0.00 0.00 0.00 175.10 174.82 1a3g s ILE 120 N -0.19 1.12 -0.27 2.22 -1.09 0.40 -0.58 121.20 122.81 1a3g s ILE 120 Ca 0.02 -1.13 -0.04 0.00 -2.23 0.00 0.00 60.65 57.27 1a3g s ILE 120 Cb -0.09 -1.04 0.10 0.00 -1.58 0.00 0.00 42.46 39.85 1a3g s ILE 120 CO 0.01 -0.09 0.15 -0.63 -1.23 0.00 0.00 174.94 173.15 1a3g s ILE 121 N -1.02 -0.13 0.18 2.92 1.01 -0.81 -0.39 121.20 122.96 1a3g s ILE 121 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.13 1a3g s ILE 121 Cb -0.09 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1a3g s ILE 121 CO 0.02 -0.60 -0.06 0.00 0.00 0.00 0.00 174.94 174.30 1a3g s ALA 122 N 2.15 3.05 0.03 9.38 0.00 -1.14 -2.32 121.76 132.91 1a3g s ALA 122 Ca 0.08 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 1a3g s ALA 122 Cb -0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1a3g s ALA 122 CO -0.31 0.47 0.01 0.00 0.00 0.00 0.00 175.76 175.93 1a3g s ALA 123 N -1.72 0.12 0.10 0.00 0.00 -1.26 0.39 121.76 119.39 1a3g s ALA 123 Ca 0.26 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 1a3g s ALA 123 Cb -0.09 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1a3g s ALA 123 CO 0.17 -0.24 0.34 -0.59 0.00 0.00 0.00 175.76 175.44 1a3g s PHE 124 N -2.17 -0.12 0.44 0.00 -0.12 -1.03 -4.55 117.98 110.43 1a3g s PHE 124 Ca -0.09 -0.16 -0.25 0.00 -0.05 0.00 0.00 56.93 56.38 1a3g s PHE 124 Cb -0.04 0.16 -0.08 0.00 -0.63 0.00 0.00 43.02 42.43 1a3g s PHE 124 CO -0.03 -0.62 1.33 -1.25 -0.05 0.00 0.00 175.22 174.60 1a3g s PRO 125 N -3.48 3.74 0.26 1.99 0.04 -1.26 -0.53 135.00 135.77 1a3g s PRO 125 Ca 0.01 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1a3g s PRO 125 Cb 0.02 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.96 1a3g s PRO 125 CO -0.09 -0.70 0.16 1.87 0.04 0.00 0.00 177.00 178.28 1a3g n TRP 126 N -0.19 -0.75 0.00 0.56 -0.00 -0.24 -4.66 117.44 112.16 1a3g n TRP 126 Ca 0.05 -1.15 0.00 0.00 -0.00 0.00 0.00 57.50 56.40 1a3g n TRP 126 Cb 0.44 -0.21 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 1a3g n TRP 126 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1a3g n GLN 137 N -1.03 0.00 0.00 5.87 3.00 -1.26 -4.99 117.38 118.97 1a3g n GLN 137 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1a3g n GLN 137 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.55 1a3g n GLN 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a3g n GLY 138 N 0.00 -0.03 0.00 1.08 0.00 -1.26 -4.64 105.19 100.34 1a3g n GLY 138 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1a3g n GLY 138 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a3g n ILE 139 N -0.04 0.00 -1.58 -0.61 -5.35 -1.09 -4.63 119.36 106.06 1a3g n ILE 139 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1a3g n ILE 139 Cb 0.00 0.70 -0.01 0.00 -1.74 0.00 0.00 39.64 38.59 1a3g n ILE 139 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a3g n ASP 140 N 0.00 -2.83 -2.99 7.28 8.00 -1.25 -4.01 116.55 120.76 1a3g n ASP 140 Ca 0.00 0.45 -0.09 0.00 0.71 0.00 0.00 54.79 55.86 1a3g n ASP 140 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.93 1a3g n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3g n ALA 141 N 0.49 0.30 -3.21 2.24 0.00 0.19 -2.60 120.51 117.93 1a3g n ALA 141 Ca -0.06 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.48 1a3g n ALA 141 Cb 0.09 0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 1a3g n ALA 141 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1a3g s MET 142 N -2.79 0.80 -0.10 0.00 1.75 0.35 -2.51 119.30 116.80 1a3g s MET 142 Ca 0.12 -0.24 -0.17 0.00 -1.25 0.00 0.00 55.69 54.14 1a3g s MET 142 Cb -0.01 0.36 -0.05 0.00 2.84 0.00 0.00 34.83 37.97 1a3g s MET 142 CO 0.07 -0.25 0.44 0.08 -0.65 0.00 0.00 175.02 174.72 1a3g s VAL 143 N -1.82 5.17 0.40 10.11 1.01 -1.26 -0.31 120.40 133.71 1a3g s VAL 143 Ca -0.10 0.89 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 1a3g s VAL 143 Cb -0.03 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1a3g s VAL 143 CO 0.02 0.37 0.69 -0.55 0.00 0.00 0.00 175.10 175.64 1a3g s SER 144 N 0.34 6.37 0.00 3.32 0.15 -0.77 -4.92 113.70 118.19 1a3g s SER 144 Ca 0.24 0.86 0.28 0.00 0.70 0.00 0.00 55.95 58.03 1a3g s SER 144 Cb -0.15 -2.21 1.11 0.00 -1.71 0.00 0.00 66.02 63.06 1a3g s SER 144 CO 0.10 -0.41 1.79 -1.54 1.20 0.00 0.00 173.24 174.38 1a3g n SER 145 N -1.66 0.66 -4.74 5.45 3.41 -1.26 -4.74 113.62 110.74 1a3g n SER 145 Ca -0.00 -0.72 -0.35 0.00 -0.26 0.00 0.00 58.87 57.53 1a3g n SER 145 Cb 0.55 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 1a3g n SER 145 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a3g s TRP 146 N -2.44 3.40 0.37 7.33 0.52 -1.26 -5.09 118.94 121.76 1a3g s TRP 146 Ca 0.29 0.30 -0.08 0.00 0.02 0.00 0.00 56.10 56.63 1a3g s TRP 146 Cb 0.20 -2.07 -0.06 0.00 -1.15 0.00 0.00 33.47 30.40 1a3g s TRP 146 CO 0.48 0.37 0.69 -0.80 0.02 0.00 0.00 176.95 177.70 1a3g s ASN 147 N -0.03 6.47 0.61 2.95 0.02 -1.26 -4.40 114.94 119.29 1a3g s ASN 147 Ca 0.09 0.95 -0.09 0.00 -1.02 0.00 0.00 52.86 52.79 1a3g s ASN 147 Cb -0.12 -2.25 -0.01 0.00 0.02 0.00 0.00 41.25 38.89 1a3g s ASN 147 CO 0.00 -0.34 0.97 -0.13 0.02 0.00 0.00 177.10 177.63 1a3g s ARG 148 N -3.83 3.24 -0.04 -0.60 0.52 -0.17 -4.95 118.95 113.11 1a3g s ARG 148 Ca 0.48 0.40 -0.38 0.00 -0.52 0.00 0.00 55.73 55.71 1a3g s ARG 148 Cb -0.10 -2.16 -0.17 0.00 0.52 0.00 0.00 34.95 33.04 1a3g s ARG 148 CO 0.32 -0.66 1.46 0.00 0.02 0.00 0.00 175.30 176.44 1a3g n ALA 149 N -2.69 -0.89 -0.91 2.13 0.00 -1.26 -4.01 120.51 112.88 1a3g n ALA 149 Ca 0.05 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.69 1a3g n ALA 149 Cb 0.56 -2.10 0.21 0.00 0.00 0.00 0.00 19.45 18.11 1a3g n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3g s ALA 150 N 1.45 0.37 0.00 0.00 0.00 -1.26 -4.73 121.76 117.59 1a3g s ALA 150 Ca 0.90 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1a3g s ALA 150 Cb -1.02 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1a3g s ALA 150 CO 0.54 -3.25 0.00 -2.30 0.00 0.00 0.00 175.76 170.75 1a3g n PRO 151 N -4.49 0.00 -2.01 0.00 -0.02 -1.26 -3.51 135.00 123.71 1a3g n PRO 151 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 1a3g n PRO 151 Cb 0.56 -0.44 -0.00 0.00 -0.02 0.00 0.00 33.50 33.59 1a3g n PRO 151 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1a3g n ASN 152 N 0.00 6.77 0.02 2.55 5.15 -1.26 -4.24 115.26 124.26 1a3g n ASN 152 Ca 0.00 -3.04 0.00 0.00 -0.60 0.00 0.00 54.58 50.94 1a3g n ASN 152 Cb 0.00 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 37.80 1a3g n ASN 152 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a3g n THR 153 N 2.77 0.30 -3.72 -0.44 -2.24 -1.23 -5.03 114.28 104.69 1a3g n THR 153 Ca 0.56 0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 62.14 1a3g n THR 153 Cb 0.30 -0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 67.41 1a3g n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a3g s ILE 154 N -1.31 0.75 -0.34 2.28 1.01 -1.26 -5.08 121.20 117.25 1a3g s ILE 154 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.35 1a3g s ILE 154 Cb 0.00 -1.52 -0.09 0.00 0.01 0.00 0.00 42.46 40.86 1a3g s ILE 154 CO 0.00 -0.61 0.84 -2.65 0.00 0.00 0.00 174.94 172.52 1a3g n PRO 155 N 4.91 0.00 0.00 2.79 -0.02 -1.26 -4.81 135.00 136.61 1a3g n PRO 155 Ca -0.04 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.53 1a3g n PRO 155 Cb 0.43 -0.44 0.41 0.00 -0.02 0.00 0.00 33.50 33.87 1a3g n PRO 155 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1a3g n THR 156 N 2.27 0.67 0.11 3.45 -2.24 -1.26 -0.95 114.28 116.33 1a3g n THR 156 Ca 0.22 0.17 0.01 0.00 -2.27 0.00 0.00 64.05 62.18 1a3g n THR 156 Cb 0.02 -0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 1a3g n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a3g h ALA 157 N 2.69 0.64 -2.46 6.98 0.00 -1.87 -3.41 119.26 121.83 1a3g h ALA 157 Ca 0.00 -0.57 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 1a3g h ALA 157 Cb 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1a3g h ALA 157 CO 0.00 0.73 0.32 0.00 0.00 0.00 0.00 179.25 180.30 1a3g s ALA 158 N -2.93 3.27 -1.25 0.00 0.00 -0.13 -4.83 121.76 115.89 1a3g s ALA 158 Ca 0.02 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 1a3g s ALA 158 Cb 0.08 -3.24 0.18 0.00 0.00 0.00 0.00 23.12 20.14 1a3g s ALA 158 CO 0.76 -0.28 1.93 1.17 0.00 0.00 0.00 175.76 179.34 1a3g n LYS 159 N 4.12 4.03 -3.45 0.00 4.81 -1.26 -4.94 118.16 121.47 1a3g n LYS 159 Ca 0.04 -3.70 -0.32 0.00 -0.87 0.00 0.00 58.31 53.46 1a3g n LYS 159 Cb 0.51 -2.78 -0.05 0.00 0.02 0.00 0.00 35.03 32.72 1a3g n LYS 159 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a3g s ALA 160 N -0.59 3.59 0.25 3.14 0.00 -1.26 -2.97 121.76 123.93 1a3g s ALA 160 Ca 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1a3g s ALA 160 Cb 0.11 -2.40 0.48 0.00 0.00 0.00 0.00 23.12 21.32 1a3g s ALA 160 CO -0.01 0.53 1.76 0.78 0.00 0.00 0.00 175.76 178.82 1a3g h GLY 161 N 2.61 1.28 0.94 0.00 0.00 -1.55 -1.95 103.07 104.39 1a3g h GLY 161 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1a3g h GLY 161 CO 0.69 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.82 1a3g n GLY 162 N -1.32 -0.78 0.19 4.60 0.00 -1.20 -1.93 105.19 104.75 1a3g n GLY 162 Ca 0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1a3g n GLY 162 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a3g h ASN 163 N 0.00 0.60 0.00 1.61 2.35 -1.70 -3.25 115.58 115.19 1a3g h ASN 163 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1a3g h ASN 163 Cb 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1a3g h ASN 163 CO 0.00 1.14 0.00 -1.22 -1.65 0.00 0.00 177.43 175.70 1a3g n TYR 164 N -3.87 0.00 -0.07 1.19 4.02 -0.81 -0.88 117.16 116.74 1a3g n TYR 164 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.71 1a3g n TYR 164 Cb 0.71 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.98 1a3g n TYR 164 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1a3g h LEU 165 N 0.00 0.53 -0.77 7.72 3.38 -1.79 0.36 115.31 124.73 1a3g h LEU 165 Ca 0.00 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1a3g h LEU 165 Cb 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1a3g h LEU 165 CO 0.00 0.87 0.37 -1.28 0.09 0.00 0.00 178.44 178.49 1a3g h SER 166 N 0.19 1.02 0.21 -0.43 0.87 -1.27 0.38 113.55 114.53 1a3g h SER 166 Ca 0.04 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1a3g h SER 166 Cb 0.70 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1a3g h SER 166 CO 0.05 0.87 -0.18 0.28 -0.53 0.00 0.00 176.83 177.31 1a3g h SER 167 N 1.09 0.00 -0.22 6.23 0.02 -1.54 -2.17 113.55 116.97 1a3g h SER 167 Ca 0.27 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1a3g h SER 167 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1a3g h SER 167 CO -0.03 0.18 -0.12 0.25 -1.14 0.00 0.00 176.83 175.97 1a3g h LEU 168 N 0.00 0.49 0.30 5.07 6.46 0.10 -0.81 115.31 126.92 1a3g h LEU 168 Ca -0.00 -0.42 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1a3g h LEU 168 Cb 0.34 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1a3g h LEU 168 CO 0.02 0.80 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.39 1a3g h LEU 169 N 0.17 -0.45 0.08 2.25 3.38 -0.61 -0.71 115.31 119.43 1a3g h LEU 169 Ca 0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a3g h LEU 169 Cb 0.62 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1a3g h LEU 169 CO 0.03 -0.29 -0.04 0.58 0.09 0.00 0.00 178.44 178.82 1a3g h VAL 170 N -0.46 0.94 -0.27 1.22 2.07 -1.47 -2.92 116.25 115.36 1a3g h VAL 170 Ca -0.03 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1a3g h VAL 170 Cb 0.38 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1a3g h VAL 170 CO 0.03 0.01 0.11 1.23 0.02 0.00 0.00 177.57 178.98 1a3g h GLY 171 N -0.13 0.43 0.95 2.17 0.00 -0.97 -2.93 103.07 102.59 1a3g h GLY 171 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1a3g h GLY 171 CO 0.02 0.22 0.17 1.48 0.00 0.00 0.00 176.54 178.43 1a3g h SER 172 N 0.29 0.59 -0.96 0.19 4.64 -1.17 -2.42 113.55 114.71 1a3g h SER 172 Ca 0.09 -0.16 0.20 0.00 -0.47 0.00 0.00 61.79 61.45 1a3g h SER 172 Cb 0.17 -0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 62.00 1a3g h SER 172 CO -0.01 0.59 0.55 -0.08 -0.87 0.00 0.00 176.83 177.01 1a3g h GLU 173 N 0.55 0.63 0.09 4.77 4.81 -1.38 0.59 114.58 124.65 1a3g h GLU 173 Ca 0.14 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1a3g h GLU 173 Cb 0.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1a3g h GLU 173 CO -0.01 0.42 -0.05 0.00 -0.73 0.00 0.00 179.01 178.64 1a3g h ALA 174 N 1.66 -0.13 -1.00 2.92 0.00 -1.30 -3.02 119.26 118.39 1a3g h ALA 174 Ca 0.57 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1a3g h ALA 174 Cb 0.95 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1a3g h ALA 174 CO -0.42 -0.35 0.65 0.00 0.00 0.00 0.00 179.25 179.13 1a3g h ARG 175 N -0.57 1.13 0.00 0.00 3.08 -0.71 -0.53 114.38 116.78 1a3g h ARG 175 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1a3g h ARG 175 Cb 0.47 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1a3g h ARG 175 CO 0.02 0.75 0.00 -2.13 -1.07 0.00 0.00 179.97 177.54 1a3g n ARG 176 N -4.51 0.02 -0.02 0.04 0.63 0.19 -2.05 116.66 110.96 1a3g n ARG 176 Ca 0.16 0.34 0.02 0.00 -0.92 0.00 0.00 57.85 57.44 1a3g n ARG 176 Cb 0.19 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.63 1a3g n ARG 176 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1a3g n HIS 177 N -1.47 0.00 0.00 -0.14 8.25 -0.62 -4.97 115.22 116.27 1a3g n HIS 177 Ca 0.02 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1a3g n HIS 177 Cb 0.09 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1a3g n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a3g n GLY 178 N -0.62 2.44 3.94 -1.41 0.00 -0.87 -5.08 105.19 103.60 1a3g n GLY 178 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1a3g n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3g s TYR 179 N -2.51 2.26 -1.36 1.61 1.51 -0.31 -4.97 117.35 113.58 1a3g s TYR 179 Ca 0.00 0.28 0.15 0.00 -1.01 0.00 0.00 57.07 56.49 1a3g s TYR 179 Cb 0.00 -3.45 -0.00 0.00 -0.11 0.00 0.00 41.96 38.40 1a3g s TYR 179 CO 0.00 -1.87 0.81 1.04 -1.11 0.00 0.00 175.55 174.42 1a3g n GLN 180 N -3.18 1.75 -3.54 -0.62 3.00 -1.07 -3.90 117.38 109.81 1a3g n GLN 180 Ca 0.12 -0.78 -0.17 0.00 -0.01 0.00 0.00 57.00 56.16 1a3g n GLN 180 Cb 0.60 -1.23 -0.06 0.00 0.00 0.00 0.00 30.24 29.55 1a3g n GLN 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1a3g s GLU 181 N -1.77 0.99 -0.13 -1.09 2.56 -1.23 -4.94 118.70 113.09 1a3g s GLU 181 Ca 0.12 0.39 0.01 0.00 0.00 0.00 0.00 54.97 55.50 1a3g s GLU 181 Cb 0.12 0.47 -0.00 0.00 2.00 0.00 0.00 34.13 36.72 1a3g s GLU 181 CO 0.37 -0.28 -0.18 0.20 -0.56 0.00 0.00 175.26 174.81 1a3g s GLY 182 N -0.89 1.44 -0.16 -1.50 0.00 -1.26 -0.49 107.32 104.46 1a3g s GLY 182 Ca -0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.56 1a3g s GLY 182 CO 0.08 -0.12 0.10 -0.42 0.00 0.00 0.00 173.10 172.74 1a3g s ILE 183 N 0.59 5.16 0.10 0.90 1.01 0.58 -1.16 121.20 128.37 1a3g s ILE 183 Ca -0.10 0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.69 1a3g s ILE 183 Cb -0.16 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1a3g s ILE 183 CO 0.03 0.52 -0.01 0.00 0.00 0.00 0.00 174.94 175.49 1a3g s ALA 184 N -0.21 3.26 0.41 9.38 0.00 0.20 -1.84 121.76 132.97 1a3g s ALA 184 Ca 0.09 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.99 1a3g s ALA 184 Cb -0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 1a3g s ALA 184 CO 0.01 0.68 0.50 -0.51 0.00 0.00 0.00 175.76 176.44 1a3g s LEU 185 N -2.36 3.60 0.00 0.00 1.43 -1.26 -1.73 118.68 118.35 1a3g s LEU 185 Ca 0.26 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1a3g s LEU 185 Cb -0.11 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1a3g s LEU 185 CO 0.18 -0.70 0.35 -0.90 0.23 0.00 0.00 176.35 175.51 1a3g n ASP 186 N -1.74 1.29 0.00 2.29 5.75 0.36 -1.00 116.55 123.50 1a3g n ASP 186 Ca 0.06 -1.82 0.06 0.00 -0.01 0.00 0.00 54.79 53.07 1a3g n ASP 186 Cb 0.60 -0.16 0.29 0.00 -1.03 0.00 0.00 41.12 40.82 1a3g n ASP 186 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1a3g n VAL 187 N -1.51 0.82 0.59 2.12 0.24 -1.26 -1.47 118.33 117.87 1a3g n VAL 187 Ca 0.06 0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 1a3g n VAL 187 Cb 0.31 -1.01 0.05 0.00 -1.47 0.00 0.00 33.84 31.72 1a3g n VAL 187 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1a3g n ASN 188 N -1.34 0.63 0.00 -1.34 3.02 -1.26 -4.95 115.26 110.01 1a3g n ASN 188 Ca 0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1a3g n ASN 188 Cb 0.11 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 1a3g n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3g n GLY 189 N 1.37 0.95 3.83 7.41 0.00 -0.54 -5.08 105.19 113.13 1a3g n GLY 189 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1a3g n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3g s TYR 190 N -2.00 3.02 0.22 1.61 2.02 -1.26 -4.27 117.35 116.69 1a3g s TYR 190 Ca 0.00 -0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.20 1a3g s TYR 190 Cb 0.00 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 39.90 1a3g s TYR 190 CO 0.00 0.38 1.42 0.42 -1.57 0.00 0.00 175.55 176.20 1a3g s ILE 191 N -2.21 2.82 0.00 2.71 1.01 -0.55 -0.49 121.20 124.50 1a3g s ILE 191 Ca 0.36 0.67 -0.03 0.00 0.00 0.00 0.00 60.65 61.65 1a3g s ILE 191 Cb -0.07 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1a3g s ILE 191 CO 0.26 0.10 -0.06 -0.24 0.00 0.00 0.00 174.94 174.99 1a3g n SER 192 N 2.67 0.70 0.00 3.58 2.88 -0.71 -4.60 113.62 118.14 1a3g n SER 192 Ca 0.08 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1a3g n SER 192 Cb 0.41 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1a3g n SER 192 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1a3g n GLU 193 N -3.16 -2.56 -1.20 -1.46 0.28 -0.93 -4.66 120.64 106.95 1a3g n GLU 193 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.75 1a3g n GLU 193 Cb 0.09 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.13 1a3g n GLU 193 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a3g n GLY 194 N -0.08 -1.95 0.22 -1.84 0.00 -0.03 0.63 105.19 102.13 1a3g n GLY 194 Ca 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 1a3g n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3g h ALA 195 N -2.14 0.05 0.00 4.61 0.00 -1.49 -3.33 119.26 116.96 1a3g h ALA 195 Ca -0.33 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1a3g h ALA 195 Cb 0.94 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 1a3g h ALA 195 CO 0.22 -0.56 -0.70 0.41 0.00 0.00 0.00 179.25 178.62 1a3g n GLY 196 N -1.33 1.38 3.43 0.00 0.00 -1.26 -4.50 105.19 102.90 1a3g n GLY 196 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1a3g n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a3g s GLU 197 N -0.45 1.01 0.63 1.61 1.03 -1.25 -4.95 118.70 116.33 1a3g s GLU 197 Ca 0.20 -0.03 -0.16 0.00 0.03 0.00 0.00 54.97 55.01 1a3g s GLU 197 Cb 0.22 0.47 -0.01 0.00 -0.80 0.00 0.00 34.13 34.00 1a3g s GLU 197 CO -0.08 -0.34 1.11 -0.80 -1.33 0.00 0.00 175.26 173.82 1a3g s ASN 198 N -1.59 5.27 -0.17 0.83 0.01 -0.86 -0.85 114.94 117.57 1a3g s ASN 198 Ca -0.09 2.02 -0.01 0.00 -0.71 0.00 0.00 52.86 54.08 1a3g s ASN 198 Cb -0.01 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 1a3g s ASN 198 CO 0.03 -1.52 -0.13 -0.22 -1.51 0.00 0.00 177.10 173.76 1a3g s LEU 199 N -4.64 2.57 -0.06 0.60 1.98 -1.26 -0.79 118.68 117.07 1a3g s LEU 199 Ca 0.68 -0.45 0.03 0.00 -2.89 0.00 0.00 54.13 51.50 1a3g s LEU 199 Cb -0.21 -1.60 -0.02 0.00 0.66 0.00 0.00 46.19 45.02 1a3g s LEU 199 CO 0.38 0.06 -0.15 -0.36 -1.89 0.00 0.00 176.35 174.40 1a3g s PHE 200 N 0.97 2.71 0.08 5.38 0.08 -0.06 -4.24 117.98 122.90 1a3g s PHE 200 Ca -0.02 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 56.86 1a3g s PHE 200 Cb -0.15 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 1a3g s PHE 200 CO -0.02 0.11 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.82 1a3g s GLU 201 N -0.55 1.91 -0.18 0.44 2.02 -0.62 -1.08 118.70 120.65 1a3g s GLU 201 Ca 0.08 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.99 1a3g s GLU 201 Cb -0.11 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.00 1a3g s GLU 201 CO 0.01 0.51 -0.19 0.08 0.02 0.00 0.00 175.26 175.69 1a3g s VAL 202 N -1.03 2.04 0.00 2.63 1.01 0.39 -4.24 120.40 121.21 1a3g s VAL 202 Ca 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1a3g s VAL 202 Cb -0.10 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1a3g s VAL 202 CO 0.08 0.51 0.00 1.17 0.00 0.00 0.00 175.10 176.86 1a3g n LYS 203 N 4.62 0.00 -2.46 2.72 0.00 -0.78 -0.52 118.16 121.74 1a3g n LYS 203 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.68 1a3g n LYS 203 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1a3g n LYS 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1a3g n ASP 204 N 0.00 5.08 -0.00 3.14 8.00 -1.26 -4.21 116.55 127.30 1a3g n ASP 204 Ca 0.00 -3.07 -0.00 0.00 0.71 0.00 0.00 54.79 52.43 1a3g n ASP 204 Cb 0.00 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 39.59 1a3g n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3g n GLY 205 N 3.17 0.26 3.64 0.44 0.00 -1.26 -5.02 105.19 106.43 1a3g n GLY 205 Ca 0.40 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 1a3g n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3g s VAL 206 N -1.53 3.95 0.00 1.61 1.01 -1.26 -4.54 120.40 119.64 1a3g s VAL 206 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1a3g s VAL 206 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1a3g s VAL 206 CO 0.00 0.40 0.27 0.18 0.00 0.00 0.00 175.10 175.96 1a3g n LEU 207 N 1.53 0.90 -1.47 3.92 4.77 -0.51 -1.87 117.00 124.28 1a3g n LEU 207 Ca -0.15 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1a3g n LEU 207 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1a3g n LEU 207 CO 0.32 0.00 -0.08 0.49 -1.33 0.00 0.00 177.39 176.79 1a3g n PHE 208 N -0.42 -0.63 -4.11 -1.77 3.72 -0.68 -3.98 117.46 109.60 1a3g n PHE 208 Ca 0.00 0.37 -0.09 0.00 -0.05 0.00 0.00 57.45 57.68 1a3g n PHE 208 Cb 0.00 -1.99 -0.10 0.00 -0.94 0.00 0.00 39.48 36.45 1a3g n PHE 208 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a3g s THR 209 N -0.09 0.15 0.47 4.37 -4.23 -0.92 -1.58 115.64 113.81 1a3g s THR 209 Ca -0.02 -1.82 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 1a3g s THR 209 Cb 0.00 -1.80 -0.10 0.00 1.34 0.00 0.00 72.50 71.94 1a3g s THR 209 CO 0.07 -0.67 0.97 -2.84 -0.54 0.00 0.00 174.62 171.60 1a3g s PRO 210 N -3.99 4.08 0.99 3.99 0.02 -1.25 -0.47 135.00 138.37 1a3g s PRO 210 Ca 0.16 1.10 -0.16 0.00 0.02 0.00 0.00 61.00 62.12 1a3g s PRO 210 Cb 0.07 -2.15 0.20 0.00 0.02 0.00 0.00 34.50 32.64 1a3g s PRO 210 CO -0.03 -0.16 1.26 -1.25 -0.33 0.00 0.00 177.00 176.49 1a3g s PRO 211 N -3.48 0.42 0.55 5.54 0.04 -1.26 -4.75 135.00 132.05 1a3g s PRO 211 Ca 0.62 -0.27 0.33 0.00 0.04 0.00 0.00 61.00 61.71 1a3g s PRO 211 Cb -0.10 -1.81 1.34 0.00 0.04 0.00 0.00 34.50 33.98 1a3g s PRO 211 CO 0.20 -2.59 1.98 0.74 0.04 0.00 0.00 177.00 177.37 1a3g h PHE 212 N -1.77 0.00 0.00 0.56 0.04 -1.97 -2.08 116.94 111.72 1a3g h PHE 212 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1a3g h PHE 212 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1a3g h PHE 212 CO -1.16 0.01 0.00 0.25 -0.60 0.00 0.00 178.31 176.81 1a3g n THR 213 N -3.11 0.45 -1.05 -1.55 -2.24 -1.26 -1.28 114.28 104.24 1a3g n THR 213 Ca 0.01 0.11 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1a3g n THR 213 Cb 0.31 -0.81 0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1a3g n THR 213 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a3g n SER 214 N -1.29 6.44 -3.44 3.42 7.64 -0.78 -4.89 113.62 120.72 1a3g n SER 214 Ca 0.09 -3.43 -0.22 0.00 1.01 0.00 0.00 58.87 56.32 1a3g n SER 214 Cb 0.15 -0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1a3g n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a3g n SER 215 N -0.45 -2.22 -4.92 6.43 7.64 -0.40 -4.37 113.62 115.33 1a3g n SER 215 Ca 0.48 -0.36 -0.27 0.00 1.01 0.00 0.00 58.87 59.73 1a3g n SER 215 Cb 0.78 -1.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.04 1a3g n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a3g s ALA 216 N -2.72 3.72 -0.11 -0.43 0.00 -1.15 -4.88 121.76 116.19 1a3g s ALA 216 Ca 0.40 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1a3g s ALA 216 Cb -0.23 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1a3g s ALA 216 CO 0.49 0.24 0.03 -1.17 0.00 0.00 0.00 175.76 175.34 1a3g s LEU 217 N -3.69 3.70 0.00 0.00 0.20 -1.26 -4.60 118.68 113.02 1a3g s LEU 217 Ca 0.41 0.16 -0.23 0.00 0.69 0.00 0.00 54.13 55.16 1a3g s LEU 217 Cb -0.10 -1.87 -0.28 0.00 -0.43 0.00 0.00 46.19 43.51 1a3g s LEU 217 CO 0.31 0.34 1.31 -2.65 -0.29 0.00 0.00 176.35 175.37 1a3g n PRO 218 N 2.44 0.00 -1.77 0.98 -0.02 -1.26 -4.85 135.00 130.51 1a3g n PRO 218 Ca -0.18 -0.76 -0.39 0.00 -2.02 0.00 0.00 63.50 60.15 1a3g n PRO 218 Cb 0.53 -2.15 0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1a3g n PRO 218 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1a3g s GLY 219 N 5.99 2.90 0.32 -1.23 0.00 -1.26 -4.90 107.32 109.14 1a3g s GLY 219 Ca 0.50 1.38 0.22 0.00 0.00 0.00 0.00 44.72 46.82 1a3g s GLY 219 CO 0.26 1.93 1.33 -2.22 0.00 0.00 0.00 173.10 174.40 1a3g h ILE 220 N 1.67 0.10 0.02 0.90 2.04 -1.98 -2.63 117.51 117.63 1a3g h ILE 220 Ca -0.51 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 1a3g h ILE 220 Cb 1.29 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1a3g h ILE 220 CO 0.58 0.05 -0.12 0.74 0.00 0.00 0.00 178.15 179.41 1a3g h THR 221 N 0.00 1.70 -1.00 -0.27 2.02 -1.92 -2.04 112.91 111.40 1a3g h THR 221 Ca -0.01 -2.22 0.22 0.00 0.77 0.00 0.00 66.41 65.18 1a3g h THR 221 Cb 1.06 3.19 -0.10 0.00 -1.74 0.00 0.00 68.15 70.57 1a3g h THR 221 CO 0.01 0.59 0.63 -0.09 0.37 0.00 0.00 175.52 177.02 1a3g h ARG 222 N -0.82 0.54 0.52 6.66 2.43 -1.89 0.22 114.38 122.04 1a3g h ARG 222 Ca -0.02 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1a3g h ARG 222 Cb 1.03 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1a3g h ARG 222 CO 0.02 0.36 -0.25 0.22 -1.51 0.00 0.00 179.97 178.81 1a3g h ASP 223 N 0.56 -0.59 -1.00 -3.80 3.58 -1.42 -2.66 116.42 111.09 1a3g h ASP 223 Ca 0.57 -0.06 0.20 0.00 0.42 0.00 0.00 57.03 58.16 1a3g h ASP 223 Cb 1.19 0.15 -0.10 0.00 1.72 0.00 0.00 39.33 42.29 1a3g h ASP 223 CO -0.33 -0.23 0.61 0.00 -2.88 0.00 0.00 179.24 176.41 1a3g h ALA 224 N -0.72 1.77 0.91 -0.78 0.00 0.09 -2.44 119.26 118.08 1a3g h ALA 224 Ca -0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1a3g h ALA 224 Cb 0.62 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1a3g h ALA 224 CO 0.12 -0.14 -0.47 0.82 0.00 0.00 0.00 179.25 179.58 1a3g h ILE 225 N 0.70 0.00 -0.96 0.00 2.04 -0.87 0.95 117.51 119.36 1a3g h ILE 225 Ca 0.57 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.71 1a3g h ILE 225 Cb 0.97 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1a3g h ILE 225 CO -0.35 0.00 0.69 0.40 0.00 0.00 0.00 178.15 178.89 1a3g h ILE 226 N -1.26 0.52 0.24 -0.67 2.04 -1.18 0.43 117.51 117.64 1a3g h ILE 226 Ca -0.12 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1a3g h ILE 226 Cb 0.97 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1a3g h ILE 226 CO 0.19 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.33 1a3g h LYS 227 N 0.01 -0.32 -0.52 2.37 1.57 -0.80 -2.33 116.57 116.55 1a3g h LYS 227 Ca 0.46 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.37 1a3g h LYS 227 Cb 1.83 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 34.12 1a3g h LYS 227 CO -0.01 -0.02 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.69 1a3g h LEU 228 N -0.99 -0.40 -0.94 2.94 3.38 0.31 0.29 115.31 119.89 1a3g h LEU 228 Ca -0.03 0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.35 1a3g h LEU 228 Cb 0.44 0.29 -0.14 0.00 0.09 0.00 0.00 40.66 41.34 1a3g h LEU 228 CO 0.06 -0.14 0.40 0.00 0.09 0.00 0.00 178.44 178.84 1a3g h ALA 229 N 1.50 1.59 0.35 1.53 0.00 -0.25 0.31 119.26 124.30 1a3g h ALA 229 Ca 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1a3g h ALA 229 Cb 0.39 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a3g h ALA 229 CO -0.50 -0.50 -0.17 0.87 0.00 0.00 0.00 179.25 178.95 1a3g h LYS 230 N 0.28 -0.46 -0.90 0.00 1.57 0.08 -0.68 116.57 116.45 1a3g h LYS 230 Ca 0.64 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.63 1a3g h LYS 230 Cb 1.36 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.66 1a3g h LYS 230 CO -0.62 -0.14 0.47 0.93 -0.57 0.00 0.00 179.45 179.51 1a3g h GLU 231 N -0.85 0.56 0.00 3.15 4.39 0.78 0.13 114.58 122.74 1a3g h GLU 231 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1a3g h GLU 231 Cb 0.53 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1a3g h GLU 231 CO 0.08 0.37 0.00 1.28 -1.16 0.00 0.00 179.01 179.58 1a3g n LEU 232 N -4.91 0.00 0.00 1.33 4.77 0.83 -4.83 117.00 114.19 1a3g n LEU 232 Ca 0.21 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1a3g n LEU 232 Cb 0.55 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1a3g n LEU 232 CO 0.18 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1a3g n GLY 233 N -0.61 0.65 3.66 -0.72 0.00 0.44 -5.04 105.19 103.56 1a3g n GLY 233 Ca 0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1a3g n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3g s ILE 234 N -2.00 5.07 0.45 -0.61 1.01 -0.28 -5.04 121.20 119.80 1a3g s ILE 234 Ca 0.00 1.05 -0.24 0.00 0.00 0.00 0.00 60.65 61.46 1a3g s ILE 234 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1a3g s ILE 234 CO 0.00 0.15 1.20 -0.70 0.00 0.00 0.00 174.94 175.60 1a3g s GLU 235 N 1.71 3.80 -0.10 2.79 2.12 -1.26 -4.36 118.70 123.40 1a3g s GLU 235 Ca 0.26 1.88 0.01 0.00 0.36 0.00 0.00 54.97 57.49 1a3g s GLU 235 Cb -0.16 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.74 1a3g s GLU 235 CO 0.10 -0.54 -0.12 0.08 -0.54 0.00 0.00 175.26 174.23 1a3g s VAL 236 N -1.45 1.29 -0.13 3.70 1.01 -1.26 -1.42 120.40 122.14 1a3g s VAL 236 Ca 0.62 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1a3g s VAL 236 Cb -0.31 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1a3g s VAL 236 CO 0.39 0.40 -0.17 -0.13 0.00 0.00 0.00 175.10 175.59 1a3g s ARG 237 N 1.16 3.23 -0.31 2.72 0.52 -1.26 -4.76 118.95 120.24 1a3g s ARG 237 Ca -0.04 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 1a3g s ARG 237 Cb -0.14 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 1a3g s ARG 237 CO -0.03 0.15 0.19 -1.21 0.02 0.00 0.00 175.30 174.42 1a3g s GLU 238 N 0.48 3.55 0.16 3.54 2.02 -1.26 -1.69 118.70 125.50 1a3g s GLU 238 Ca -0.12 -0.59 -0.25 0.00 0.02 0.00 0.00 54.97 54.04 1a3g s GLU 238 Cb -0.16 -3.68 0.06 0.00 0.10 0.00 0.00 34.13 30.45 1a3g s GLU 238 CO 0.05 -0.37 0.91 1.14 0.02 0.00 0.00 175.26 177.02 1a3g s GLN 239 N 1.69 1.26 -0.05 1.61 -2.07 0.38 -4.76 119.66 117.72 1a3g s GLN 239 Ca 0.06 -0.68 -0.29 0.00 -1.82 0.00 0.00 55.36 52.62 1a3g s GLN 239 Cb -0.17 0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 32.12 1a3g s GLN 239 CO 0.09 -0.58 1.93 0.08 -1.32 0.00 0.00 175.29 175.49 1a3g s VAL 240 N -3.38 3.18 -0.11 3.63 1.01 -1.26 -3.97 120.40 119.51 1a3g s VAL 240 Ca 0.11 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1a3g s VAL 240 Cb -0.02 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1a3g s VAL 240 CO 0.02 -0.04 0.14 -0.76 0.00 0.00 0.00 175.10 174.46 1a3g s LEU 241 N 5.18 4.37 0.29 3.92 1.43 -1.26 -5.02 118.68 127.59 1a3g s LEU 241 Ca 0.86 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 1a3g s LEU 241 Cb -0.37 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1a3g s LEU 241 CO 0.37 0.39 0.45 -0.94 0.23 0.00 0.00 176.35 176.85 1a3g s SER 242 N -1.14 6.29 0.20 2.29 1.04 -1.26 -1.49 113.70 119.63 1a3g s SER 242 Ca 0.16 0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.64 1a3g s SER 242 Cb -0.12 -1.90 0.18 0.00 0.10 0.00 0.00 66.02 64.28 1a3g s SER 242 CO 0.06 -0.19 1.59 -0.09 0.98 0.00 0.00 173.24 175.59 1a3g h ARG 243 N 0.97 -0.10 -1.03 4.02 2.43 -1.93 -0.94 114.38 117.81 1a3g h ARG 243 Ca -0.51 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 58.93 1a3g h ARG 243 Cb 1.23 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 1a3g h ARG 243 CO 0.61 -0.07 0.64 0.93 -1.51 0.00 0.00 179.97 180.57 1a3g h GLU 244 N -0.10 0.45 -1.12 0.20 3.07 -1.96 -1.10 114.58 114.03 1a3g h GLU 244 Ca 0.27 -0.03 0.32 0.00 -0.50 0.00 0.00 59.36 59.43 1a3g h GLU 244 Cb 0.54 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 1a3g h GLU 244 CO -0.71 0.30 0.80 0.66 -1.40 0.00 0.00 179.01 178.66 1a3g h SER 245 N 0.47 0.03 -0.37 1.42 4.64 -1.55 0.25 113.55 118.43 1a3g h SER 245 Ca 0.62 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.97 1a3g h SER 245 Cb 1.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 1a3g h SER 245 CO -0.37 0.01 0.25 -0.07 -0.87 0.00 0.00 176.83 175.77 1a3g h LEU 246 N 0.03 0.36 0.00 5.97 3.38 -1.37 0.87 115.31 124.55 1a3g h LEU 246 Ca 0.54 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.44 1a3g h LEU 246 Cb 2.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 1a3g h LEU 246 CO -0.03 0.25 -0.47 1.88 0.09 0.00 0.00 178.44 180.17 1a3g h TYR 247 N 0.42 0.00 0.00 1.13 0.05 -0.71 -3.32 116.97 114.53 1a3g h TYR 247 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1a3g h TYR 247 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1a3g h TYR 247 CO -0.00 0.27 -1.33 1.28 -1.05 0.00 0.00 178.16 177.33 1a3g n LEU 248 N -3.08 0.51 -4.42 3.88 4.77 -0.61 -4.93 117.00 113.11 1a3g n LEU 248 Ca 0.01 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.42 1a3g n LEU 248 Cb 0.65 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 42.01 1a3g n LEU 248 CO 0.38 0.13 0.47 0.00 -1.33 0.00 0.00 177.39 177.05 1a3g s ALA 249 N -3.05 -0.80 -0.13 -1.18 0.00 0.20 -4.97 121.76 111.84 1a3g s ALA 249 Ca 0.01 -0.27 0.12 0.00 0.00 0.00 0.00 51.96 51.81 1a3g s ALA 249 Cb 0.14 -3.19 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 1a3g s ALA 249 CO 0.80 -4.17 0.05 -0.25 0.00 0.00 0.00 175.76 172.19 1a3g n ASP 250 N -5.18 1.73 -3.99 0.00 8.00 0.32 -4.49 116.55 112.95 1a3g n ASP 250 Ca 0.04 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 1a3g n ASP 250 Cb 0.55 0.85 -0.12 0.00 -0.02 0.00 0.00 41.12 42.38 1a3g n ASP 250 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a3g s GLU 251 N -2.34 0.35 -0.06 -1.24 2.02 -0.93 -4.33 118.70 112.18 1a3g s GLU 251 Ca -0.07 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.37 1a3g s GLU 251 Cb 0.04 -0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.18 1a3g s GLU 251 CO 0.54 0.01 0.15 0.54 0.02 0.00 0.00 175.26 176.52 1a3g s VAL 252 N -1.03 -0.00 -0.08 2.63 0.11 -1.26 -0.46 120.40 120.30 1a3g s VAL 252 Ca -0.09 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.73 1a3g s VAL 252 Cb -0.07 -0.22 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1a3g s VAL 252 CO -0.00 0.01 0.56 0.72 -3.33 0.00 0.00 175.10 173.06 1a3g s PHE 253 N 0.16 -0.54 0.22 1.54 -0.12 -0.24 -1.53 117.98 117.48 1a3g s PHE 253 Ca -0.01 1.03 0.05 0.00 -0.05 0.00 0.00 56.93 57.95 1a3g s PHE 253 Cb -0.02 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 1a3g s PHE 253 CO -0.00 -0.48 0.26 -1.64 -0.05 0.00 0.00 175.22 173.31 1a3g s MET 254 N -0.84 3.19 0.06 1.99 -1.94 -0.48 -0.88 119.30 120.40 1a3g s MET 254 Ca -0.09 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.06 1a3g s MET 254 Cb -0.02 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1a3g s MET 254 CO 0.06 0.44 -0.08 -1.54 -0.01 0.00 0.00 175.02 173.90 1a3g s SER 255 N -3.69 1.02 0.00 3.03 1.04 0.03 -0.69 113.70 114.44 1a3g s SER 255 Ca 0.33 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1a3g s SER 255 Cb -0.09 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1a3g s SER 255 CO 0.27 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1a3g n GLY 256 N 0.94 0.78 0.36 7.32 0.00 -1.01 -2.04 105.19 111.55 1a3g n GLY 256 Ca -0.19 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.18 1a3g n GLY 256 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a3g h THR 257 N 0.06 1.10 0.04 2.61 2.02 -1.91 0.60 112.91 117.43 1a3g h THR 257 Ca 0.00 -0.39 -0.20 0.00 0.77 0.00 0.00 66.41 66.59 1a3g h THR 257 Cb 0.00 -0.14 0.02 0.00 -1.74 0.00 0.00 68.15 66.28 1a3g h THR 257 CO 0.00 0.21 -0.81 0.00 0.37 0.00 0.00 175.52 175.29 1a3g h ALA 258 N 1.43 0.05 0.05 6.16 0.00 -1.95 -3.37 119.26 121.63 1a3g h ALA 258 Ca 0.41 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1a3g h ALA 258 Cb 0.12 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a3g h ALA 258 CO -0.16 0.46 -0.42 0.00 0.00 0.00 0.00 179.25 179.14 1a3g h ALA 259 N 0.30 -0.01 0.00 0.00 0.00 -1.91 -3.49 119.26 114.15 1a3g h ALA 259 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1a3g h ALA 259 Cb 1.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1a3g h ALA 259 CO 0.16 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.99 1a3g n GLU 260 N -4.37 0.00 -3.80 0.00 1.02 0.21 -4.51 120.64 109.19 1a3g n GLU 260 Ca -0.11 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.73 1a3g n GLU 260 Cb 0.62 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.89 1a3g n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1a3g s ILE 261 N 0.00 0.98 -0.37 -3.67 1.01 -1.26 -2.41 121.20 115.48 1a3g s ILE 261 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 1a3g s ILE 261 Cb 0.00 -1.53 0.04 0.00 0.01 0.00 0.00 42.46 40.97 1a3g s ILE 261 CO 0.00 -0.38 0.19 -0.89 0.00 0.00 0.00 174.94 173.86 1a3g s THR 262 N 1.61 4.38 0.30 2.92 2.01 0.14 -4.93 115.64 122.07 1a3g s THR 262 Ca 0.02 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 1a3g s THR 262 Cb -0.18 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.74 1a3g s THR 262 CO -0.14 -0.26 1.54 -2.84 -0.69 0.00 0.00 174.62 172.23 1a3g s PRO 263 N 1.51 4.15 -0.28 4.92 0.02 -1.26 -1.38 135.00 142.68 1a3g s PRO 263 Ca 0.01 2.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 1a3g s PRO 263 Cb -0.20 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.32 1a3g s PRO 263 CO 0.05 -0.56 0.00 0.08 -0.33 0.00 0.00 177.00 176.25 1a3g s VAL 264 N -0.25 3.26 -2.72 3.83 1.01 -0.58 -2.66 120.40 122.28 1a3g s VAL 264 Ca 0.60 -1.03 0.26 0.00 0.00 0.00 0.00 61.98 61.82 1a3g s VAL 264 Cb -0.46 -2.73 0.37 0.00 0.00 0.00 0.00 36.38 33.56 1a3g s VAL 264 CO 0.50 0.07 1.50 -2.11 0.00 0.00 0.00 175.10 175.06 1a3g n ARG 265 N 4.72 1.96 -3.55 2.72 1.85 -1.26 -4.34 116.66 118.77 1a3g n ARG 265 Ca -0.15 -1.42 -0.15 0.00 -1.00 0.00 0.00 57.85 55.13 1a3g n ARG 265 Cb 0.46 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 1a3g n ARG 265 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1a3g s SER 266 N -2.01 -0.51 -0.11 2.89 1.04 -1.26 -2.21 113.70 111.52 1a3g s SER 266 Ca 0.33 0.31 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 1a3g s SER 266 Cb 0.20 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.89 1a3g s SER 266 CO 0.32 -0.71 0.20 -0.69 0.98 0.00 0.00 173.24 173.34 1a3g s VAL 267 N -2.19 -0.31 -1.66 5.02 1.01 -0.49 -0.64 120.40 121.13 1a3g s VAL 267 Ca -0.07 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1a3g s VAL 267 Cb -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1a3g s VAL 267 CO 0.01 0.09 0.02 0.47 0.00 0.00 0.00 175.10 175.69 1a3g n ASP 268 N 5.33 -5.60 0.00 3.32 8.00 -1.04 -1.82 116.55 124.74 1a3g n ASP 268 Ca -0.05 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1a3g n ASP 268 Cb 0.50 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 1a3g n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3g n GLY 269 N -1.00 3.03 3.70 0.44 0.00 -1.26 -4.98 105.19 105.12 1a3g n GLY 269 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1a3g n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3g s ILE 270 N -1.39 4.27 0.26 -0.61 1.01 -0.75 -4.98 121.20 119.01 1a3g s ILE 270 Ca 0.00 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1a3g s ILE 270 Cb 0.00 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1a3g s ILE 270 CO 0.00 0.06 1.36 -1.58 0.00 0.00 0.00 174.94 174.78 1a3g s GLN 271 N 1.65 4.33 -0.73 2.79 0.74 -1.26 -1.40 119.66 125.77 1a3g s GLN 271 Ca 0.56 2.21 -0.15 0.00 0.05 0.00 0.00 55.36 58.03 1a3g s GLN 271 Cb -0.26 -3.12 0.18 0.00 1.10 0.00 0.00 33.01 30.92 1a3g s GLN 271 CO 0.25 -0.30 0.71 0.08 -0.55 0.00 0.00 175.29 175.47 1a3g s VAL 272 N -0.35 5.40 -0.02 1.34 1.01 -0.94 -4.84 120.40 121.99 1a3g s VAL 272 Ca 0.55 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 1a3g s VAL 272 Cb -0.40 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1a3g s VAL 272 CO 0.45 -1.02 0.02 0.61 0.00 0.00 0.00 175.10 175.17 1a3g n GLY 273 N 4.51 -0.53 3.20 4.51 0.00 -1.26 -3.49 105.19 112.14 1a3g n GLY 273 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1a3g n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a3g n GLU 274 N 2.12 -0.73 -2.77 1.61 4.71 -1.26 -3.47 120.64 120.86 1a3g n GLU 274 Ca -0.03 0.18 -0.09 0.00 -0.01 0.00 0.00 57.16 57.21 1a3g n GLU 274 Cb 0.17 -4.19 0.04 0.00 -1.01 0.00 0.00 31.44 26.46 1a3g n GLU 274 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a3g n GLY 275 N -1.05 0.15 0.50 0.62 0.00 -1.23 -4.72 105.19 99.46 1a3g n GLY 275 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1a3g n GLY 275 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a3g n ARG 276 N -2.45 -1.41 0.00 1.61 0.00 -1.23 -4.62 116.66 108.56 1a3g n ARG 276 Ca -0.08 1.03 0.00 0.00 -0.00 0.00 0.00 57.85 58.79 1a3g n ARG 276 Cb 0.56 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.88 1a3g n ARG 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a3g n GLY 278 N -1.23 -1.06 0.16 0.00 0.00 -1.26 -4.69 105.19 97.10 1a3g n GLY 278 Ca 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 1a3g n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a3g h PRO 279 N 0.06 0.45 -0.52 1.61 0.13 -1.99 0.31 132.00 132.05 1a3g h PRO 279 Ca -0.60 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.47 1a3g h PRO 279 Cb 1.33 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1a3g h PRO 279 CO 0.33 0.35 0.27 0.28 -0.23 0.00 0.00 178.00 179.00 1a3g h VAL 280 N 0.43 1.19 -0.30 1.56 2.07 -2.00 -1.67 116.25 117.53 1a3g h VAL 280 Ca 0.12 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1a3g h VAL 280 Cb 0.01 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1a3g h VAL 280 CO -0.02 0.21 -0.03 0.74 0.02 0.00 0.00 177.57 178.49 1a3g h THR 281 N 0.70 0.75 -0.56 2.57 2.02 -1.80 -0.20 112.91 116.39 1a3g h THR 281 Ca 0.18 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.40 1a3g h THR 281 Cb 0.09 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1a3g h THR 281 CO -0.03 0.01 0.29 0.11 0.37 0.00 0.00 175.52 176.27 1a3g h LYS 282 N 0.05 0.53 0.24 6.66 1.79 -0.13 0.22 116.57 125.94 1a3g h LYS 282 Ca 0.15 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1a3g h LYS 282 Cb 0.21 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1a3g h LYS 282 CO -0.27 0.35 -0.21 0.00 -1.08 0.00 0.00 179.45 178.25 1a3g h ARG 283 N 0.55 -0.45 -0.31 3.15 3.08 -0.50 -1.51 114.38 118.39 1a3g h ARG 283 Ca 0.25 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1a3g h ARG 283 Cb 0.16 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1a3g h ARG 283 CO -0.17 -0.30 0.10 0.82 -1.07 0.00 0.00 179.97 179.35 1a3g h ILE 284 N -0.46 0.91 -0.68 2.04 1.08 -0.34 -1.76 117.51 118.28 1a3g h ILE 284 Ca -0.01 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.53 1a3g h ILE 284 Cb 0.42 0.66 -0.10 0.00 -3.07 0.00 0.00 36.82 34.72 1a3g h ILE 284 CO -0.03 0.04 0.13 1.56 -0.69 0.00 0.00 178.15 179.16 1a3g h GLN 285 N 0.23 0.22 -0.59 2.37 4.20 -0.25 0.16 115.11 121.46 1a3g h GLN 285 Ca 0.14 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1a3g h GLN 285 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1a3g h GLN 285 CO -0.15 0.15 0.01 1.96 -0.67 0.00 0.00 178.83 180.13 1a3g h GLN 286 N 0.23 1.04 -0.65 1.46 4.20 -0.96 0.30 115.11 120.74 1a3g h GLN 286 Ca 0.37 -0.33 0.06 0.00 0.06 0.00 0.00 58.65 58.82 1a3g h GLN 286 Cb 0.62 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 1a3g h GLN 286 CO -0.50 1.02 0.34 0.00 -0.67 0.00 0.00 178.83 179.02 1a3g h ALA 287 N 0.98 0.86 0.71 3.87 0.00 -0.09 0.30 119.26 125.90 1a3g h ALA 287 Ca 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1a3g h ALA 287 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a3g h ALA 287 CO 0.03 -0.01 -0.40 0.35 0.00 0.00 0.00 179.25 179.22 1a3g h PHE 288 N 0.62 -1.06 -0.34 0.00 3.57 0.51 -2.90 116.94 117.35 1a3g h PHE 288 Ca 0.30 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1a3g h PHE 288 Cb 0.22 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1a3g h PHE 288 CO -0.09 -0.61 -0.02 0.74 -2.23 0.00 0.00 178.31 176.09 1a3g h PHE 289 N -1.03 0.55 -1.15 0.41 0.04 -0.88 -1.96 116.94 112.92 1a3g h PHE 289 Ca -0.10 -0.06 0.32 0.00 2.80 0.00 0.00 57.97 60.93 1a3g h PHE 289 Cb 0.81 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.73 1a3g h PHE 289 CO -0.03 0.56 0.78 0.78 -0.60 0.00 0.00 178.31 179.81 1a3g h GLY 290 N 0.86 0.63 0.65 -1.45 0.00 -0.21 0.42 103.07 103.97 1a3g h GLY 290 Ca 0.11 -0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.43 1a3g h GLY 290 CO 0.01 -0.09 0.64 1.41 0.00 0.00 0.00 176.54 178.50 1a3g h LEU 291 N 0.17 0.97 -0.09 3.11 3.38 -1.24 0.19 115.31 121.81 1a3g h LEU 291 Ca 0.61 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1a3g h LEU 291 Cb 1.99 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1a3g h LEU 291 CO -0.17 0.58 -0.29 0.49 0.09 0.00 0.00 178.44 179.14 1a3g n PHE 292 N -4.54 0.00 -0.05 1.13 3.72 0.15 -3.49 117.46 114.38 1a3g n PHE 292 Ca 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 1a3g n PHE 292 Cb 0.26 -0.28 -0.16 0.00 -0.94 0.00 0.00 39.48 38.35 1a3g n PHE 292 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1a3g n THR 293 N -1.32 0.65 0.00 4.37 5.66 -0.77 -1.13 114.28 121.74 1a3g n THR 293 Ca 0.08 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1a3g n THR 293 Cb 0.33 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1a3g n THR 293 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1a3g n GLY 294 N 1.52 2.33 0.29 1.09 0.00 0.57 -4.74 105.19 106.26 1a3g n GLY 294 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1a3g n GLY 294 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a3g h GLU 295 N 0.82 0.00 -5.80 1.61 5.08 -1.61 -3.40 114.58 111.28 1a3g h GLU 295 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1a3g h GLU 295 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 1a3g h GLU 295 CO 0.00 0.00 -0.63 0.99 -1.00 0.00 0.00 179.01 178.37 1a3g s THR 296 N -5.04 4.21 0.07 1.13 2.01 -0.62 -4.93 115.64 112.48 1a3g s THR 296 Ca -0.05 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 1a3g s THR 296 Cb 0.18 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1a3g s THR 296 CO 0.68 0.57 0.88 -1.61 -0.69 0.00 0.00 174.62 174.45 1a3g s GLU 297 N -0.52 4.60 -1.32 4.92 2.02 -1.26 -4.38 118.70 122.76 1a3g s GLU 297 Ca 0.09 1.29 -0.15 0.00 0.02 0.00 0.00 54.97 56.22 1a3g s GLU 297 Cb -0.12 -3.38 0.09 0.00 0.10 0.00 0.00 34.13 30.82 1a3g s GLU 297 CO 0.02 0.21 1.81 -3.47 0.02 0.00 0.00 175.26 173.86 1a3g n ASP 298 N 2.93 4.76 0.01 -0.19 -0.08 -1.26 -4.69 116.55 118.02 1a3g n ASP 298 Ca 0.01 -2.93 -0.12 0.00 -1.51 0.00 0.00 54.79 50.24 1a3g n ASP 298 Cb 0.50 -1.66 -0.06 0.00 2.34 0.00 0.00 41.12 42.23 1a3g n ASP 298 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1a3g h LYS 299 N 6.90 0.08 0.00 -0.67 1.57 -2.04 -3.27 116.57 119.13 1a3g h LYS 299 Ca 0.45 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.13 1a3g h LYS 299 Cb 0.79 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1a3g h LYS 299 CO 1.54 0.09 -0.41 -1.49 -0.57 0.00 0.00 179.45 178.61 1a3g h TRP 300 N 0.04 0.00 -1.17 -1.35 6.55 -2.03 -3.48 115.95 114.51 1a3g h TRP 300 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1a3g h TRP 300 Cb 0.03 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 1a3g h TRP 300 CO -0.06 0.41 0.00 0.41 -1.05 0.00 0.00 178.44 178.15 1a3g n GLY 301 N 0.65 0.69 0.02 1.49 0.00 -1.24 -5.03 105.19 101.78 1a3g n GLY 301 Ca 0.01 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1a3g n GLY 301 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a3g n TRP 302 N -0.59 0.16 -3.76 1.61 8.01 -1.26 -4.87 117.44 116.74 1a3g n TRP 302 Ca 0.00 0.05 -0.36 0.00 -1.31 0.00 0.00 57.50 55.88 1a3g n TRP 302 Cb 0.23 -0.32 -0.07 0.00 -2.01 0.00 0.00 31.31 29.14 1a3g n TRP 302 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1a3g s LEU 303 N -3.63 4.26 -0.38 -0.99 1.43 -1.26 -1.07 118.68 117.04 1a3g s LEU 303 Ca 0.05 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1a3g s LEU 303 Cb 0.15 -2.10 0.12 0.00 0.03 0.00 0.00 46.19 44.39 1a3g s LEU 303 CO 0.81 0.24 0.17 -0.62 0.23 0.00 0.00 176.35 177.19 1a3g s ASP 304 N -0.04 3.81 0.54 2.29 2.15 -1.06 -4.96 116.67 119.38 1a3g s ASP 304 Ca 0.10 -2.19 -0.22 0.00 0.43 0.00 0.00 52.55 50.68 1a3g s ASP 304 Cb -0.11 -0.96 -0.06 0.00 -0.30 0.00 0.00 42.92 41.49 1a3g s ASP 304 CO 0.00 -0.33 1.24 0.00 -0.17 0.00 0.00 175.17 175.91 1a3g n GLN 305 N 4.12 1.51 0.03 4.34 6.02 -1.26 -2.34 117.38 129.79 1a3g n GLN 305 Ca 0.04 0.56 -0.19 0.00 -0.01 0.00 0.00 57.00 57.40 1a3g n GLN 305 Cb 0.38 -2.43 -0.13 0.00 1.02 0.00 0.00 30.24 29.09 1a3g n GLN 305 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1a3g h VAL 306 N 1.28 1.45 -0.98 5.09 2.07 -1.07 -3.36 116.25 120.74 1a3g h VAL 306 Ca -0.49 -2.29 -0.73 0.00 0.82 0.00 0.00 66.70 64.01 1a3g h VAL 306 Cb 1.32 2.84 -0.10 0.00 -1.52 0.00 0.00 31.29 33.83 1a3g h VAL 306 CO 0.56 0.66 2.62 0.59 0.02 0.00 0.00 177.57 182.02 1a3g n ASN 307 N -4.15 7.94 -0.86 0.57 3.02 -1.26 -4.99 115.26 115.54 1a3g n ASN 307 Ca -0.12 -3.05 0.12 0.00 -0.03 0.00 0.00 54.58 51.50 1a3g n ASN 307 Cb 0.76 -1.40 0.19 0.00 -0.61 0.00 0.00 39.78 38.72 1a3g n ASN 307 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64