#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 -2.52 3.14 0.00 -1.26 -4.60 120.51 115.27 1a3g n ALA 5 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1a3g n ALA 5 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1a3g n ALA 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1a3g s ASP 6 N -0.04 2.32 0.00 0.00 1.47 -1.26 -4.66 116.67 114.50 1a3g s ASP 6 Ca 0.00 -0.52 0.00 0.00 1.18 0.00 0.00 52.55 53.21 1a3g s ASP 6 Cb 0.00 -0.18 0.00 0.00 -0.34 0.00 0.00 42.92 42.40 1a3g s ASP 6 CO 0.00 0.13 0.00 -1.22 0.68 0.00 0.00 175.17 174.76 1a3g n TYR 7 N 1.81 0.00 -4.44 2.11 4.01 -0.97 -4.68 117.16 114.99 1a3g n TYR 7 Ca -0.17 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.30 1a3g n TYR 7 Cb 0.54 -1.43 -0.17 0.00 -0.31 0.00 0.00 39.34 37.97 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 0.00 1.23 -0.10 -0.72 1.01 0.12 -4.76 121.20 117.99 1a3g s ILE 8 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1a3g s ILE 8 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1a3g s ILE 8 CO 0.00 0.39 1.43 0.86 0.00 0.00 0.00 174.94 177.61 1a3g s TRP 9 N 0.93 2.53 -0.17 3.97 -0.00 -0.79 -0.28 118.94 125.13 1a3g s TRP 9 Ca -0.09 0.68 -0.00 0.00 -0.00 0.00 0.00 56.10 56.68 1a3g s TRP 9 Cb -0.15 -3.68 0.04 0.00 -0.00 0.00 0.00 33.47 29.68 1a3g s TRP 9 CO 0.00 -2.62 -0.05 0.12 -0.00 0.00 0.00 176.95 174.40 1a3g s PHE 10 N 3.51 1.77 -1.72 5.86 2.19 0.20 -0.78 117.98 129.00 1a3g s PHE 10 Ca 0.63 -1.15 -0.19 0.00 0.33 0.00 0.00 56.93 56.55 1a3g s PHE 10 Cb -0.28 -1.34 0.17 0.00 -1.31 0.00 0.00 43.02 40.26 1a3g s PHE 10 CO 0.22 -0.63 0.75 0.09 1.83 0.00 0.00 175.22 177.48 1a3g n ASN 11 N 4.86 -3.04 0.00 6.13 3.02 -0.74 -2.32 115.26 123.16 1a3g n ASN 11 Ca -0.12 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1a3g n ASN 11 Cb 0.47 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 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 -1.37 3.10 3.95 7.41 0.00 -1.26 -5.05 105.19 111.97 1a3g n GLY 12 Ca 0.07 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1a3g n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a3g s GLU 13 N 0.00 3.28 -0.15 1.61 0.41 -0.98 -5.07 118.70 117.80 1a3g s GLU 13 Ca 0.00 -0.51 -0.08 0.00 -0.41 0.00 0.00 54.97 53.97 1a3g s GLU 13 Cb 0.00 -2.66 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 1a3g s GLU 13 CO 0.00 0.00 0.13 -1.64 -0.49 0.00 0.00 175.26 173.26 1a3g s MET 14 N -4.36 3.69 0.12 1.61 -1.94 -1.26 -0.63 119.30 116.52 1a3g s MET 14 Ca 0.43 -0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.33 1a3g s MET 14 Cb -0.10 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 1a3g s MET 14 CO 0.36 0.61 -0.21 0.08 -0.01 0.00 0.00 175.02 175.85 1a3g s VAL 15 N -0.54 1.78 0.15 -6.03 1.01 0.61 -4.90 120.40 112.48 1a3g s VAL 15 Ca 0.12 -1.63 -0.31 0.00 0.00 0.00 0.00 61.98 60.16 1a3g s VAL 15 Cb -0.12 -1.64 -0.11 0.00 0.00 0.00 0.00 36.38 34.51 1a3g s VAL 15 CO 0.02 -0.10 1.72 -0.60 0.00 0.00 0.00 175.10 176.15 1a3g s ARG 16 N -2.09 4.15 0.38 2.72 3.52 -1.26 0.13 118.95 126.50 1a3g s ARG 16 Ca 0.09 2.52 0.20 0.00 -0.13 0.00 0.00 55.73 58.41 1a3g s ARG 16 Cb -0.09 -3.35 1.23 0.00 -1.56 0.00 0.00 34.95 31.18 1a3g s ARG 16 CO 0.05 -0.76 1.65 2.35 -0.81 0.00 0.00 175.30 177.78 1a3g h TRP 17 N 7.66 0.78 0.00 5.12 2.91 -1.83 0.56 115.95 131.15 1a3g h TRP 17 Ca -0.44 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.61 1a3g h TRP 17 Cb 1.21 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 1a3g h TRP 17 CO 0.72 -0.22 0.00 0.39 -1.03 0.00 0.00 178.44 178.30 1a3g n GLU 18 N -4.96 0.19 0.00 2.65 4.71 -1.26 -2.90 120.64 119.07 1a3g n GLU 18 Ca 0.34 0.39 0.12 0.00 -0.01 0.00 0.00 57.16 58.00 1a3g n GLU 18 Cb 1.15 -1.84 0.12 0.00 -1.01 0.00 0.00 31.44 29.86 1a3g n GLU 18 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1a3g n ASP 19 N -2.20 2.56 -4.06 1.62 8.00 0.20 -4.75 116.55 117.93 1a3g n ASP 19 Ca 0.03 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 1a3g n ASP 19 Cb 0.25 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.85 4.78 -2.80 2.24 0.00 -1.14 -4.92 120.51 119.52 1a3g n ALA 20 Ca 0.13 -3.89 -0.24 0.00 0.00 0.00 0.00 53.44 49.45 1a3g n ALA 20 Cb 0.54 -3.54 -0.05 0.00 0.00 0.00 0.00 19.45 16.39 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 3.48 2.86 0.02 0.00 1.02 -1.26 -5.10 119.74 120.76 1a3g s LYS 21 Ca 0.49 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.50 1a3g s LYS 21 Cb 0.10 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1a3g s LYS 21 CO -0.02 0.43 -0.09 0.54 -0.92 0.00 0.00 175.35 175.28 1a3g s VAL 22 N -1.99 0.70 0.79 3.17 0.11 -1.26 -5.12 120.40 116.80 1a3g s VAL 22 Ca 0.32 -0.75 -0.12 0.00 -2.93 0.00 0.00 61.98 58.50 1a3g s VAL 22 Cb -0.09 -0.66 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 1a3g s VAL 22 CO 0.24 -0.06 1.14 -2.28 -3.33 0.00 0.00 175.10 170.80 1a3g s HIS 23 N -0.75 2.16 0.25 1.54 2.46 -1.26 -4.93 115.29 114.77 1a3g s HIS 23 Ca -0.02 1.64 0.18 0.00 0.47 0.00 0.00 55.06 57.33 1a3g s HIS 23 Cb -0.06 -3.25 0.76 0.00 -0.13 0.00 0.00 32.58 29.90 1a3g s HIS 23 CO 0.00 -2.28 1.79 0.28 -2.47 0.00 0.00 174.74 172.06 1a3g h VAL 24 N -1.02 0.97 -0.37 0.89 2.07 -2.03 -2.89 116.25 113.87 1a3g h VAL 24 Ca -0.45 -1.39 -0.16 0.00 0.82 0.00 0.00 66.70 65.52 1a3g h VAL 24 Cb 1.26 1.82 -0.10 0.00 -1.52 0.00 0.00 31.29 32.75 1a3g h VAL 24 CO 0.48 0.35 0.21 0.23 0.02 0.00 0.00 177.57 178.87 1a3g n MET 25 N -3.69 1.77 -2.56 1.57 2.81 -1.26 -4.88 117.12 110.88 1a3g n MET 25 Ca -0.01 -1.25 -0.39 0.00 -1.81 0.00 0.00 57.70 54.24 1a3g n MET 25 Cb 0.46 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 1a3g n MET 25 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1a3g s SER 26 N -0.03 7.19 0.12 7.83 0.01 -1.09 -4.63 113.70 123.09 1a3g s SER 26 Ca 0.23 2.12 -0.33 0.00 1.31 0.00 0.00 55.95 59.29 1a3g s SER 26 Cb 0.19 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.70 1a3g s SER 26 CO 0.05 -0.19 1.56 -0.74 0.41 0.00 0.00 173.24 174.33 1a3g h HIS 27 N 3.45 -1.50 -0.64 2.43 2.76 -0.54 -2.20 115.15 118.90 1a3g h HIS 27 Ca -0.47 0.05 0.19 0.00 -2.20 0.00 0.00 60.37 57.94 1a3g h HIS 27 Cb 1.21 0.66 -0.03 0.00 1.55 0.00 0.00 27.41 30.80 1a3g h HIS 27 CO 0.59 -0.55 0.72 0.00 -1.30 0.00 0.00 177.93 177.39 1a3g h ALA 28 N -0.28 2.42 -0.19 5.26 0.00 -1.56 -0.73 119.26 124.19 1a3g h ALA 28 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1a3g h ALA 28 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1a3g h ALA 28 CO -0.38 -1.05 -0.35 -0.07 0.00 0.00 0.00 179.25 177.40 1a3g h LEU 29 N 0.00 0.63 0.00 0.00 3.38 -1.71 -2.33 115.31 115.28 1a3g h LEU 29 Ca 0.31 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1a3g h LEU 29 Cb 1.74 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1a3g h LEU 29 CO -0.00 1.05 -0.00 0.45 0.09 0.00 0.00 178.44 180.03 1a3g h HIS 30 N 0.22 -0.01 -0.50 1.13 3.86 -1.25 -3.40 115.15 115.20 1a3g h HIS 30 Ca 0.01 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1a3g h HIS 30 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 1a3g h HIS 30 CO 0.09 0.81 0.00 0.66 0.86 0.00 0.00 177.93 180.35 1a3g n TYR 31 N -4.65 1.39 -1.71 2.45 4.01 -0.76 -4.97 117.16 112.92 1a3g n TYR 31 Ca -0.08 -0.70 -0.16 0.00 -0.16 0.00 0.00 57.90 56.80 1a3g n TYR 31 Cb 0.39 -0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.52 0.97 3.48 2.72 0.00 -0.88 -4.91 105.19 107.10 1a3g n GLY 32 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1a3g n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a3g s THR 33 N -2.45 4.52 0.16 2.61 -4.23 -1.25 -2.57 115.64 112.44 1a3g s THR 33 Ca 0.00 -1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1a3g s THR 33 Cb 0.00 -4.88 0.06 0.00 1.34 0.00 0.00 72.50 69.03 1a3g s THR 33 CO 0.00 -1.65 0.67 -0.94 -0.54 0.00 0.00 174.62 172.16 1a3g s SER 34 N 3.94 -0.47 0.05 3.99 1.04 -1.26 -2.22 113.70 118.77 1a3g s SER 34 Ca 0.38 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1a3g s SER 34 Cb -0.03 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1a3g s SER 34 CO -0.08 -1.00 -0.06 0.54 0.98 0.00 0.00 173.24 173.61 1a3g s VAL 35 N -3.70 0.47 0.26 5.02 0.11 0.10 -1.14 120.40 121.53 1a3g s VAL 35 Ca 0.04 -1.32 -0.19 0.00 -2.93 0.00 0.00 61.98 57.58 1a3g s VAL 35 Cb -0.02 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1a3g s VAL 35 CO -0.08 -0.58 0.64 0.72 -3.33 0.00 0.00 175.10 172.47 1a3g s PHE 36 N -2.16 -0.05 0.17 1.54 -0.12 -1.11 -0.96 117.98 115.30 1a3g s PHE 36 Ca -0.04 -0.37 -0.04 0.00 -0.05 0.00 0.00 56.93 56.43 1a3g s PHE 36 Cb -0.05 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1a3g s PHE 36 CO -0.02 -1.14 0.17 -2.00 -0.05 0.00 0.00 175.22 172.18 1a3g s GLU 37 N -3.94 1.13 -0.09 1.99 2.56 -0.76 -4.76 118.70 114.84 1a3g s GLU 37 Ca 0.14 -1.43 0.01 0.00 0.00 0.00 0.00 54.97 53.68 1a3g s GLU 37 Cb -0.04 0.30 0.02 0.00 2.00 0.00 0.00 34.13 36.41 1a3g s GLU 37 CO 0.06 -0.38 -0.09 0.20 -0.56 0.00 0.00 175.26 174.50 1a3g s GLY 38 N -3.07 0.78 -0.03 -1.50 0.00 -1.26 -3.96 107.32 98.29 1a3g s GLY 38 Ca 0.28 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.58 1a3g s GLY 38 CO 0.06 0.54 -0.15 -0.42 0.00 0.00 0.00 173.10 173.13 1a3g s ILE 39 N 1.27 1.19 -0.13 0.90 1.01 -0.23 -4.92 121.20 120.30 1a3g s ILE 39 Ca -0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1a3g s ILE 39 Cb -0.14 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1a3g s ILE 39 CO -0.03 0.35 0.12 -0.13 0.00 0.00 0.00 174.94 175.24 1a3g s ARG 40 N -0.06 3.52 -0.24 2.79 1.81 -1.26 0.63 118.95 126.14 1a3g s ARG 40 Ca -0.00 -0.19 -0.06 0.00 -1.72 0.00 0.00 55.73 53.76 1a3g s ARG 40 Cb -0.09 -3.18 -0.02 0.00 -0.45 0.00 0.00 34.95 31.21 1a3g s ARG 40 CO 0.01 0.67 0.02 0.00 -0.68 0.00 0.00 175.30 175.32 1a3g s TYR 42 N 1.56 2.96 -0.19 0.00 1.51 0.44 -2.09 117.35 121.54 1a3g s TYR 42 Ca 0.06 -0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 1a3g s TYR 42 Cb -0.15 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1a3g s TYR 42 CO 0.01 0.52 0.34 0.34 -1.11 0.00 0.00 175.55 175.64 1a3g s ASP 43 N -2.96 6.40 0.00 2.29 -1.08 -1.26 0.14 116.67 120.20 1a3g s ASP 43 Ca 0.29 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.78 1a3g s ASP 43 Cb -0.10 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1a3g s ASP 43 CO 0.20 -0.01 0.00 -1.54 0.52 0.00 0.00 175.17 174.34 1a3g n SER 44 N 4.19 0.64 -1.85 -0.34 3.41 -1.26 -4.78 113.62 113.63 1a3g n SER 44 Ca -0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.43 1a3g n SER 44 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 0.00 0.00 7.33 1.44 0.74 -2.67 115.22 122.06 1a3g n HIS 45 Ca 0.00 -1.30 0.00 0.00 -2.01 0.00 0.00 57.72 54.41 1a3g n HIS 45 Cb 0.00 -1.22 0.00 0.00 0.12 0.00 0.00 29.99 28.89 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 2.18 0.00 -0.22 -1.40 2.85 -1.26 -4.97 118.16 115.34 1a3g n LYS 46 Ca 0.28 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.34 1a3g n LYS 46 Cb 0.76 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.34 1a3g n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a3g n GLY 47 N 0.00 -3.40 3.51 2.58 0.00 -1.09 -4.86 105.19 101.93 1a3g n GLY 47 Ca 0.00 -1.10 -0.53 0.00 0.00 0.00 0.00 46.02 44.38 1a3g n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a3g n PRO 48 N -4.00 0.45 -3.64 1.61 -0.02 -1.26 -4.15 135.00 124.00 1a3g n PRO 48 Ca 0.09 0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.56 1a3g n PRO 48 Cb 0.40 -1.57 -0.15 0.00 -0.02 0.00 0.00 33.50 32.16 1a3g n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a3g s VAL 49 N -0.21 -0.27 -0.05 -1.45 0.11 0.37 -3.22 120.40 115.68 1a3g s VAL 49 Ca 0.80 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.80 1a3g s VAL 49 Cb -1.05 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1a3g s VAL 49 CO 0.54 0.07 1.19 -0.69 -3.33 0.00 0.00 175.10 172.88 1a3g s VAL 50 N 2.30 4.27 -0.03 2.04 1.01 -0.83 -0.42 120.40 128.73 1a3g s VAL 50 Ca 0.04 1.59 -0.23 0.00 0.00 0.00 0.00 61.98 63.37 1a3g s VAL 50 Cb -0.13 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1a3g s VAL 50 CO -0.07 0.01 0.70 0.12 0.00 0.00 0.00 175.10 175.85 1a3g s PHE 51 N 2.14 3.64 -1.32 5.22 5.36 -0.07 -2.00 117.98 130.94 1a3g s PHE 51 Ca 0.56 1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 57.66 1a3g s PHE 51 Cb -0.25 -2.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.68 1a3g s PHE 51 CO 0.22 0.18 0.31 0.54 -1.46 0.00 0.00 175.22 175.01 1a3g n ARG 52 N 3.34 -0.60 -0.21 10.12 1.74 -0.25 -4.59 116.66 126.20 1a3g n ARG 52 Ca -0.03 0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 57.04 1a3g n ARG 52 Cb 0.51 -2.86 0.03 0.00 -1.02 0.00 0.00 32.46 29.13 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 -2.01 0.83 -0.22 -1.55 2.76 -1.77 -2.34 115.15 110.84 1a3g h HIS 53 Ca -0.65 -0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 57.36 1a3g h HIS 53 Cb 1.33 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1a3g h HIS 53 CO 0.43 0.61 -0.39 -0.09 -1.30 0.00 0.00 177.93 177.18 1a3g h ARG 54 N 0.81 0.66 -0.80 5.26 2.43 -1.94 -2.27 114.38 118.53 1a3g h ARG 54 Ca 0.21 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1a3g h ARG 54 Cb 0.06 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1a3g h ARG 54 CO -0.03 1.03 0.52 0.93 -1.51 0.00 0.00 179.97 180.90 1a3g h GLU 55 N 0.36 1.07 -0.16 0.20 3.07 -1.95 0.16 114.58 117.33 1a3g h GLU 55 Ca 0.01 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1a3g h GLU 55 Cb 0.99 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1a3g h GLU 55 CO 0.09 0.72 -0.21 0.45 -1.40 0.00 0.00 179.01 178.66 1a3g h HIS 56 N 1.09 0.30 0.00 4.33 3.86 -1.37 -0.77 115.15 122.59 1a3g h HIS 56 Ca 0.29 -0.05 -0.21 0.00 -1.16 0.00 0.00 60.37 59.24 1a3g h HIS 56 Cb -0.10 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1a3g h HIS 56 CO -0.01 0.48 -1.08 0.52 0.86 0.00 0.00 177.93 178.70 1a3g h MET 57 N 0.26 0.00 0.36 2.45 2.86 -0.36 -1.30 114.93 119.20 1a3g h MET 57 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1a3g h MET 57 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1a3g h MET 57 CO 0.03 0.83 -0.17 0.37 1.06 0.00 0.00 176.91 179.03 1a3g h GLN 58 N 0.00 -0.47 -0.94 1.72 5.75 -0.65 -1.33 115.11 119.19 1a3g h GLN 58 Ca -0.06 0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.62 1a3g h GLN 58 Cb 1.76 0.11 -0.08 0.00 1.07 0.00 0.00 27.48 30.34 1a3g h GLN 58 CO 0.11 -0.20 0.60 -0.09 -2.65 0.00 0.00 178.83 176.60 1a3g h ARG 59 N -0.70 0.74 -0.69 1.69 2.43 -1.04 1.44 114.38 118.26 1a3g h ARG 59 Ca -0.05 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1a3g h ARG 59 Cb 0.49 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1a3g h ARG 59 CO 0.08 0.49 0.36 1.25 -1.51 0.00 0.00 179.97 180.65 1a3g h LEU 60 N 0.76 0.51 -0.40 3.80 6.46 -0.19 -2.02 115.31 124.23 1a3g h LEU 60 Ca 0.48 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.25 1a3g h LEU 60 Cb 0.72 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1a3g h LEU 60 CO -0.24 0.31 0.10 0.45 -0.62 0.00 0.00 178.44 178.44 1a3g h HIS 61 N 0.64 0.67 -0.72 1.25 3.86 0.29 -3.03 115.15 118.11 1a3g h HIS 61 Ca 0.32 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 1a3g h HIS 61 Cb 0.28 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1a3g h HIS 61 CO -0.09 0.64 0.40 -0.44 0.86 0.00 0.00 177.93 179.30 1a3g h ASP 62 N 0.51 0.58 -0.35 2.45 3.32 -0.26 -1.27 116.42 121.40 1a3g h ASP 62 Ca 0.13 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1a3g h ASP 62 Cb 0.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1a3g h ASP 62 CO 0.00 0.36 0.17 0.28 -1.72 0.00 0.00 179.24 178.33 1a3g h SER 63 N 0.71 0.49 1.02 6.45 0.02 -1.38 0.15 113.55 121.01 1a3g h SER 63 Ca 0.33 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1a3g h SER 63 Cb 0.25 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1a3g h SER 63 CO -0.21 0.43 -1.04 0.00 -1.14 0.00 0.00 176.83 174.87 1a3g h ALA 64 N 1.65 0.62 0.28 3.77 0.00 -1.25 -3.16 119.26 121.17 1a3g h ALA 64 Ca 0.14 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1a3g h ALA 64 Cb 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a3g h ALA 64 CO -0.02 0.93 -0.16 -0.22 0.00 0.00 0.00 179.25 179.79 1a3g h LYS 65 N 0.00 -0.40 -0.82 0.00 3.64 -0.38 0.34 116.57 118.95 1a3g h LYS 65 Ca -0.09 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.55 1a3g h LYS 65 Cb 1.58 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.46 1a3g h LYS 65 CO 0.07 -0.27 0.61 0.82 -2.27 0.00 0.00 179.45 178.41 1a3g h ILE 66 N -0.42 0.55 -0.38 2.00 2.04 -0.97 0.45 117.51 120.79 1a3g h ILE 66 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1a3g h ILE 66 Cb 0.34 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1a3g h ILE 66 CO 0.04 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.97 1a3g n TYR 67 N -4.21 0.65 -3.69 1.37 4.02 -0.86 -4.96 117.16 109.48 1a3g n TYR 67 Ca 0.17 -0.58 -0.25 0.00 -0.01 0.00 0.00 57.90 57.23 1a3g n TYR 67 Cb 0.90 -0.09 0.06 0.00 -0.02 0.00 0.00 39.34 40.19 1a3g n TYR 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1a3g n ARG 68 N 0.44 -6.76 -3.36 -0.72 1.74 0.16 -4.95 116.66 103.20 1a3g n ARG 68 Ca 0.15 0.74 -0.38 0.00 -0.77 0.00 0.00 57.85 57.59 1a3g n ARG 68 Cb 0.55 -5.69 -0.06 0.00 -1.02 0.00 0.00 32.46 26.24 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 -3.35 3.58 -0.34 -1.55 0.08 -0.23 -5.02 117.98 111.14 1a3g s PHE 69 Ca 0.49 0.93 -0.29 0.00 0.12 0.00 0.00 56.93 58.18 1a3g s PHE 69 Cb -0.23 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.75 1a3g s PHE 69 CO 0.77 0.30 1.17 -1.25 -0.10 0.00 0.00 175.22 176.11 1a3g s PRO 70 N 0.13 3.95 -0.34 0.24 0.04 -1.26 -4.56 135.00 133.20 1a3g s PRO 70 Ca 0.25 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 1a3g s PRO 70 Cb -0.16 -3.82 0.01 0.00 0.04 0.00 0.00 34.50 30.57 1a3g s PRO 70 CO 0.11 -1.07 0.18 0.08 0.04 0.00 0.00 177.00 176.34 1a3g s VAL 71 N 4.07 4.64 0.17 -0.36 1.01 -1.26 -3.57 120.40 125.10 1a3g s VAL 71 Ca 0.50 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1a3g s VAL 71 Cb -0.13 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.86 1a3g s VAL 71 CO 0.21 -0.08 1.74 0.28 0.00 0.00 0.00 175.10 177.25 1a3g h SER 72 N 8.40 0.79 -3.84 3.32 0.02 -1.96 -3.45 113.55 116.83 1a3g h SER 72 Ca -0.29 -0.16 -0.49 0.00 -0.84 0.00 0.00 61.79 60.02 1a3g h SER 72 Cb 1.13 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1a3g h SER 72 CO 0.64 0.73 0.39 -1.10 -1.14 0.00 0.00 176.83 176.35 1a3g s GLN 73 N -5.61 4.59 0.93 3.45 1.11 -1.26 -5.05 119.66 117.83 1a3g s GLN 73 Ca -0.13 1.53 -0.16 0.00 0.01 0.00 0.00 55.36 56.61 1a3g s GLN 73 Cb 0.13 -2.97 0.22 0.00 -1.01 0.00 0.00 33.01 29.37 1a3g s GLN 73 CO 0.79 0.25 1.10 -1.13 0.01 0.00 0.00 175.29 176.30 1a3g n SER 74 N 0.84 -0.58 -0.03 5.90 3.41 -1.26 -4.82 113.62 117.07 1a3g n SER 74 Ca 0.01 -1.31 -0.16 0.00 -0.26 0.00 0.00 58.87 57.14 1a3g n SER 74 Cb 0.48 -0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 1a3g n SER 74 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1a3g h ILE 75 N -1.97 1.33 -0.51 -1.33 2.04 -1.96 -2.59 117.51 112.51 1a3g h ILE 75 Ca -0.37 -1.86 -0.11 0.00 1.00 0.00 0.00 64.86 63.52 1a3g h ILE 75 Cb 1.06 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 1a3g h ILE 75 CO 0.26 0.57 -0.10 0.44 0.00 0.00 0.00 178.15 179.32 1a3g h ASP 76 N 0.28 0.93 -0.21 1.72 3.32 -1.99 -0.84 116.42 119.63 1a3g h ASP 76 Ca -0.04 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.76 1a3g h ASP 76 Cb 1.23 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 1a3g h ASP 76 CO 0.12 1.05 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.31 1a3g h GLU 77 N 0.84 0.01 -0.45 3.56 5.08 -1.88 -2.07 114.58 119.68 1a3g h GLU 77 Ca 0.14 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1a3g h GLU 77 Cb 0.63 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1a3g h GLU 77 CO 0.04 0.00 0.18 -0.07 -1.00 0.00 0.00 179.01 178.17 1a3g h LEU 78 N 0.01 0.22 -0.40 1.33 3.38 -1.09 -0.56 115.31 118.20 1a3g h LEU 78 Ca 0.10 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1a3g h LEU 78 Cb 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1a3g h LEU 78 CO -0.21 0.16 0.24 0.24 0.09 0.00 0.00 178.44 178.96 1a3g h MET 79 N 0.37 0.48 -0.56 1.13 2.86 -0.83 -0.37 114.93 118.01 1a3g h MET 79 Ca 0.21 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1a3g h MET 79 Cb 0.18 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1a3g h MET 79 CO -0.19 0.32 0.36 0.93 1.06 0.00 0.00 176.91 179.39 1a3g h GLU 80 N 0.50 0.70 0.00 1.72 4.39 -0.85 0.03 114.58 121.07 1a3g h GLU 80 Ca 0.15 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1a3g h GLU 80 Cb -0.01 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1a3g h GLU 80 CO -0.06 0.46 -0.15 0.00 -1.16 0.00 0.00 179.01 178.10 1a3g h ALA 81 N 1.22 1.52 0.01 3.43 0.00 -0.58 0.44 119.26 125.29 1a3g h ALA 81 Ca 0.21 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1a3g h ALA 81 Cb -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1a3g h ALA 81 CO -0.06 0.19 -0.77 0.00 0.00 0.00 0.00 179.25 178.61 1a3g h ARG 83 N 0.06 1.04 -0.97 0.00 3.08 -0.39 -1.38 114.38 115.83 1a3g h ARG 83 Ca -0.10 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 59.87 1a3g h ARG 83 Cb 1.47 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 1a3g h ARG 83 CO 0.15 0.79 0.63 -0.44 -1.07 0.00 0.00 179.97 180.03 1a3g h ASP 84 N 1.02 1.03 -0.35 7.04 5.19 -0.03 -1.56 116.42 128.77 1a3g h ASP 84 Ca 0.26 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.57 1a3g h ASP 84 Cb 0.06 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 1a3g h ASP 84 CO -0.04 0.69 -0.09 0.58 -3.12 0.00 0.00 179.24 177.25 1a3g h VAL 85 N 1.18 1.25 0.30 -1.35 2.07 -0.32 -0.73 116.25 118.65 1a3g h VAL 85 Ca 0.40 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1a3g h VAL 85 Cb 0.07 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1a3g h VAL 85 CO -0.14 0.39 -0.14 0.40 0.02 0.00 0.00 177.57 178.10 1a3g h ILE 86 N 0.70 0.74 0.42 4.57 2.04 -0.35 -3.18 117.51 122.45 1a3g h ILE 86 Ca 0.12 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1a3g h ILE 86 Cb 0.57 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1a3g h ILE 86 CO 0.03 0.09 -0.43 0.03 0.00 0.00 0.00 178.15 177.87 1a3g h ARG 87 N -0.64 -0.84 0.00 2.37 3.08 -1.29 -2.00 114.38 115.05 1a3g h ARG 87 Ca -0.04 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1a3g h ARG 87 Cb 0.45 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1a3g h ARG 87 CO 0.07 -0.56 0.16 1.17 -1.07 0.00 0.00 179.97 179.74 1a3g n LYS 88 N -5.52 0.06 -0.04 0.04 4.81 -0.29 0.90 118.16 118.13 1a3g n LYS 88 Ca -0.11 0.50 0.06 0.00 -0.87 0.00 0.00 58.31 57.89 1a3g n LYS 88 Cb 0.42 -1.86 0.08 0.00 0.02 0.00 0.00 35.03 33.68 1a3g n LYS 88 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1a3g n ASN 89 N -1.80 2.28 -3.69 3.14 3.02 -0.82 -4.99 115.26 112.41 1a3g n ASN 89 Ca -0.01 -1.63 -0.22 0.00 -0.03 0.00 0.00 54.58 52.69 1a3g n ASN 89 Cb 0.18 -0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.71 -1.66 -4.96 6.41 5.15 0.26 -4.95 115.26 116.22 1a3g n ASN 90 Ca 0.09 -0.83 -0.22 0.00 -0.60 0.00 0.00 54.58 53.01 1a3g n ASN 90 Cb 0.35 -4.03 -0.01 0.00 -0.53 0.00 0.00 39.78 35.55 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 -6.61 4.15 0.04 1.20 1.43 -0.82 -5.02 118.68 113.04 1a3g s LEU 91 Ca 0.06 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1a3g s LEU 91 Cb -0.02 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1a3g s LEU 91 CO 0.81 -0.21 0.00 0.35 0.23 0.00 0.00 176.35 177.54 1a3g n THR 92 N -1.61 0.14 -3.79 5.49 -2.24 -1.26 -4.81 114.28 106.20 1a3g n THR 92 Ca -0.06 0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 1a3g n THR 92 Cb 0.57 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 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 -4.76 5.05 0.34 3.42 1.04 -1.26 -4.36 113.70 113.16 1a3g s SER 93 Ca 0.00 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.27 1a3g s SER 93 Cb 0.00 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.20 1a3g s SER 93 CO 0.00 -0.02 0.32 0.00 0.98 0.00 0.00 173.24 174.52 1a3g n ALA 94 N 4.84 0.51 -3.46 5.32 0.00 -0.89 -1.47 120.51 125.36 1a3g n ALA 94 Ca -0.16 -1.88 -0.29 0.00 0.00 0.00 0.00 53.44 51.10 1a3g n ALA 94 Cb 0.51 1.52 -0.17 0.00 0.00 0.00 0.00 19.45 21.32 1a3g n ALA 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a3g s TYR 95 N -3.26 2.11 -0.11 0.00 5.04 0.11 -1.18 117.35 120.07 1a3g s TYR 95 Ca 0.38 -0.91 -0.01 0.00 -2.44 0.00 0.00 57.07 54.09 1a3g s TYR 95 Cb 0.01 -1.47 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 1a3g s TYR 95 CO 0.27 -0.42 -0.08 0.42 -1.34 0.00 0.00 175.55 174.40 1a3g s ILE 96 N 0.66 3.60 -0.39 3.14 1.01 0.21 -1.80 121.20 127.63 1a3g s ILE 96 Ca -0.13 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1a3g s ILE 96 Cb -0.16 -2.51 0.11 0.00 0.01 0.00 0.00 42.46 39.91 1a3g s ILE 96 CO 0.03 0.55 0.14 -0.60 0.00 0.00 0.00 174.94 175.07 1a3g s ARG 97 N -0.20 1.35 0.10 2.79 6.06 0.13 -1.06 118.95 128.12 1a3g s ARG 97 Ca 0.02 -1.86 -0.22 0.00 -2.50 0.00 0.00 55.73 51.17 1a3g s ARG 97 Cb -0.13 -2.75 -0.07 0.00 0.06 0.00 0.00 34.95 32.06 1a3g s ARG 97 CO 0.03 -1.03 0.66 -2.14 -2.50 0.00 0.00 175.30 170.32 1a3g s PRO 98 N 0.71 4.37 -0.03 5.12 0.02 -1.25 -2.28 135.00 141.65 1a3g s PRO 98 Ca 0.13 0.92 -0.01 0.00 0.02 0.00 0.00 61.00 62.06 1a3g s PRO 98 Cb -0.21 -3.26 0.03 0.00 0.02 0.00 0.00 34.50 31.07 1a3g s PRO 98 CO -0.09 0.57 0.04 -1.17 -0.33 0.00 0.00 177.00 176.02 1a3g s LEU 99 N -0.97 0.60 -0.18 -5.54 0.20 -0.69 -1.83 118.68 110.26 1a3g s LEU 99 Ca 0.32 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 55.15 1a3g s LEU 99 Cb -0.21 -0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.41 1a3g s LEU 99 CO 0.22 -0.19 -0.00 -0.63 -0.29 0.00 0.00 176.35 175.45 1a3g s ILE 100 N 1.64 4.04 0.01 6.68 1.01 -0.13 -2.25 121.20 132.19 1a3g s ILE 100 Ca -0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 1a3g s ILE 100 Cb -0.13 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1a3g s ILE 100 CO -0.03 0.45 0.13 0.72 0.00 0.00 0.00 174.94 176.22 1a3g s PHE 101 N 0.70 0.06 -0.07 3.97 -0.71 -0.39 0.03 117.98 121.57 1a3g s PHE 101 Ca -0.00 -0.17 -0.30 0.00 -1.04 0.00 0.00 56.93 55.42 1a3g s PHE 101 Cb -0.14 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1a3g s PHE 101 CO 0.02 -0.29 1.42 0.08 -1.34 0.00 0.00 175.22 175.10 1a3g s VAL 102 N -1.49 3.88 0.00 -2.49 1.01 -0.94 -2.46 120.40 117.90 1a3g s VAL 102 Ca -0.14 1.15 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1a3g s VAL 102 Cb -0.07 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1a3g s VAL 102 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1a3g n GLY 103 N 3.75 0.63 1.48 4.51 0.00 -1.26 -1.87 105.19 112.41 1a3g n GLY 103 Ca 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1a3g n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a3g n ASP 104 N 0.00 4.21 -4.53 1.61 2.03 -1.26 -0.32 116.55 118.30 1a3g n ASP 104 Ca 0.00 -2.12 -0.28 0.00 0.52 0.00 0.00 54.79 52.91 1a3g n ASP 104 Cb 0.00 -0.87 0.22 0.00 -0.72 0.00 0.00 41.12 39.75 1a3g n ASP 104 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1a3g s VAL 105 N 0.27 1.97 0.19 5.18 1.01 -1.26 -4.95 120.40 122.81 1a3g s VAL 105 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1a3g s VAL 105 Cb 0.00 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.15 1a3g s VAL 105 CO 0.00 0.00 0.10 0.61 0.00 0.00 0.00 175.10 175.81 1a3g n GLY 106 N -0.12 -2.60 0.91 4.51 0.00 -1.26 -4.62 105.19 102.01 1a3g n GLY 106 Ca 0.04 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.67 2.26 -3.36 1.61 1.56 -1.26 -4.75 117.12 111.51 1a3g n MET 107 Ca 0.02 -1.66 -0.32 0.00 -0.27 0.00 0.00 57.70 55.46 1a3g n MET 107 Cb 0.07 -1.45 -0.06 0.00 2.15 0.00 0.00 33.22 33.93 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 -0.91 2.30 0.10 -5.12 0.00 -1.26 -5.00 107.32 97.43 1a3g s GLY 108 Ca 0.30 -0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.60 1a3g s GLY 108 CO 0.19 -0.05 1.75 -2.08 0.00 0.00 0.00 173.10 172.91 1a3g h VAL 109 N 2.05 1.00 -2.57 1.40 2.07 -2.03 -3.35 116.25 114.81 1a3g h VAL 109 Ca -0.47 -0.03 -0.54 0.00 0.82 0.00 0.00 66.70 66.48 1a3g h VAL 109 Cb 1.17 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1a3g h VAL 109 CO 0.68 0.02 1.11 0.20 0.02 0.00 0.00 177.57 179.60 1a3g s ASN 110 N -5.26 6.05 0.32 0.57 -0.87 -1.26 -4.97 114.94 109.52 1a3g s ASN 110 Ca -0.13 0.01 -0.28 0.00 -1.57 0.00 0.00 52.86 50.89 1a3g s ASN 110 Cb 0.07 -2.55 -0.13 0.00 -0.02 0.00 0.00 41.25 38.62 1a3g s ASN 110 CO 0.67 -1.83 1.19 -0.81 -2.57 0.00 0.00 177.10 173.75 1a3g n PRO 111 N 8.97 1.84 -1.67 -0.60 -0.04 -1.26 -4.84 135.00 137.41 1a3g n PRO 111 Ca 0.10 0.65 -0.53 0.00 -0.04 0.00 0.00 63.50 63.68 1a3g n PRO 111 Cb 0.49 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 1a3g n PRO 111 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1a3g n PRO 112 N 0.62 1.61 -1.59 0.54 -0.02 -1.26 -4.88 135.00 130.01 1a3g n PRO 112 Ca 0.06 0.58 -0.46 0.00 -2.02 0.00 0.00 63.50 61.66 1a3g n PRO 112 Cb 0.35 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1a3g n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3g n ALA 113 N 6.59 -0.42 -0.64 3.55 0.00 -1.26 -2.57 120.51 125.77 1a3g n ALA 113 Ca 0.27 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1a3g n ALA 113 Cb 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 1.65 0.64 3.94 0.00 0.00 -1.26 -5.08 105.19 105.08 1a3g n GLY 114 Ca 0.12 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 2.19 0.14 1.61 1.13 -1.06 -5.11 117.35 114.25 1a3g s TYR 115 Ca 0.00 0.29 -0.02 0.00 -1.41 0.00 0.00 57.07 55.93 1a3g s TYR 115 Cb 0.00 -3.52 -0.04 0.00 -1.10 0.00 0.00 41.96 37.30 1a3g s TYR 115 CO 0.00 -1.95 0.09 -1.12 -2.51 0.00 0.00 175.55 170.06 1a3g s SER 116 N -4.70 0.26 0.86 -0.18 0.01 -1.26 -4.86 113.70 103.82 1a3g s SER 116 Ca 0.66 -1.18 -0.08 0.00 1.31 0.00 0.00 55.95 56.67 1a3g s SER 116 Cb -0.07 0.32 0.18 0.00 0.21 0.00 0.00 66.02 66.65 1a3g s SER 116 CO 0.48 -0.76 1.11 0.35 0.41 0.00 0.00 173.24 174.83 1a3g n THR 117 N -0.12 0.00 -4.33 1.44 -2.24 -1.23 -4.30 114.28 103.49 1a3g n THR 117 Ca -0.05 -1.23 -0.20 0.00 -2.27 0.00 0.00 64.05 60.29 1a3g n THR 117 Cb 0.64 -1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 67.50 1a3g n THR 117 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a3g s ASP 118 N -5.25 1.14 0.22 3.42 1.01 -1.03 -4.89 116.67 111.28 1a3g s ASP 118 Ca 0.68 -0.17 0.09 0.00 0.71 0.00 0.00 52.55 53.85 1a3g s ASP 118 Cb -0.03 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 1a3g s ASP 118 CO 0.46 0.03 -0.06 -0.69 0.21 0.00 0.00 175.17 175.12 1a3g s VAL 119 N 0.43 3.28 -0.27 -1.27 1.01 -1.26 -1.26 120.40 121.06 1a3g s VAL 119 Ca -0.07 -1.80 -0.16 0.00 0.00 0.00 0.00 61.98 59.96 1a3g s VAL 119 Cb -0.11 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.67 1a3g s VAL 119 CO 0.01 -0.24 0.67 -0.63 0.00 0.00 0.00 175.10 174.91 1a3g s ILE 120 N -2.01 -0.00 -0.09 2.22 1.01 -0.95 -1.79 121.20 119.59 1a3g s ILE 120 Ca 0.28 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1a3g s ILE 120 Cb -0.08 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1a3g s ILE 120 CO 0.17 0.00 -0.20 -0.63 0.00 0.00 0.00 174.94 174.29 1a3g s ILE 121 N 1.47 1.75 0.02 2.92 1.01 0.04 -1.71 121.20 126.71 1a3g s ILE 121 Ca -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1a3g s ILE 121 Cb -0.05 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1a3g s ILE 121 CO -0.17 0.49 -0.08 0.00 0.00 0.00 0.00 174.94 175.18 1a3g s ALA 122 N 0.45 0.62 0.06 9.38 0.00 -0.97 -1.88 121.76 129.43 1a3g s ALA 122 Ca -0.18 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1a3g s ALA 122 Cb -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1a3g s ALA 122 CO 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 175.76 175.78 1a3g s ALA 123 N -0.82 0.98 0.08 0.00 0.00 -1.26 0.21 121.76 120.95 1a3g s ALA 123 Ca -0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 1a3g s ALA 123 Cb -0.07 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1a3g s ALA 123 CO 0.00 0.11 0.34 -0.59 0.00 0.00 0.00 175.76 175.62 1a3g s PHE 124 N -1.30 -0.12 0.61 0.00 -0.12 -0.74 -4.58 117.98 111.73 1a3g s PHE 124 Ca -0.04 -0.11 -0.18 0.00 -0.05 0.00 0.00 56.93 56.55 1a3g s PHE 124 Cb -0.10 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 1a3g s PHE 124 CO 0.02 -0.59 1.19 -1.25 -0.05 0.00 0.00 175.22 174.54 1a3g s PRO 125 N -3.20 2.89 0.22 1.99 0.04 -1.26 0.07 135.00 135.75 1a3g s PRO 125 Ca -0.01 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1a3g s PRO 125 Cb 0.01 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1a3g s PRO 125 CO -0.07 -1.26 0.25 -0.46 0.04 0.00 0.00 177.00 175.50 1a3g s TRP 126 N -1.71 0.95 0.00 0.56 -0.11 -0.54 -4.67 118.94 113.41 1a3g s TRP 126 Ca 0.76 -1.20 0.00 0.00 1.22 0.00 0.00 56.10 56.88 1a3g s TRP 126 Cb -0.29 -0.33 0.00 0.00 -1.50 0.00 0.00 33.47 31.35 1a3g s TRP 126 CO 0.35 -0.77 0.00 0.94 -4.62 0.00 0.00 176.95 172.84 1a3g n GLN 137 N -0.33 1.04 0.00 5.86 -0.06 -1.26 -4.92 117.38 117.70 1a3g n GLN 137 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1a3g n GLN 137 Cb 0.64 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.82 1a3g n GLN 137 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a3g n GLY 138 N 0.00 0.42 0.00 1.69 0.00 -1.26 -4.74 105.19 101.29 1a3g n GLY 138 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.00 -1.85 -0.61 -6.64 -0.77 -4.68 119.36 104.81 1a3g n ILE 139 Ca 0.00 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.97 1a3g n ILE 139 Cb 0.00 1.51 -0.01 0.00 -1.44 0.00 0.00 39.64 39.70 1a3g n ILE 139 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1a3g n ASP 140 N 0.00 -2.64 -4.93 7.28 8.00 -1.21 -4.07 116.55 118.98 1a3g n ASP 140 Ca 0.00 0.43 -0.21 0.00 0.71 0.00 0.00 54.79 55.72 1a3g n ASP 140 Cb 0.15 -2.33 -0.00 0.00 -0.02 0.00 0.00 41.12 38.92 1a3g n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3g s ALA 141 N -0.35 4.32 -0.01 2.24 0.00 0.15 -1.61 121.76 126.50 1a3g s ALA 141 Ca -0.05 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.15 1a3g s ALA 141 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1a3g s ALA 141 CO 0.24 -0.39 -0.02 1.41 0.00 0.00 0.00 175.76 177.00 1a3g s MET 142 N -4.29 0.28 -0.03 0.00 0.00 -0.23 -1.82 119.30 113.21 1a3g s MET 142 Ca 0.48 -0.07 -0.30 0.00 0.00 0.00 0.00 55.69 55.81 1a3g s MET 142 Cb -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 34.83 34.44 1a3g s MET 142 CO 0.29 0.02 1.02 0.08 0.00 0.00 0.00 175.02 176.43 1a3g s VAL 143 N 0.21 4.74 0.54 10.11 1.01 -1.26 -0.03 120.40 135.72 1a3g s VAL 143 Ca -0.02 1.98 -0.12 0.00 0.00 0.00 0.00 61.98 63.83 1a3g s VAL 143 Cb -0.05 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1a3g s VAL 143 CO -0.00 0.09 0.94 -0.55 0.00 0.00 0.00 175.10 175.58 1a3g s SER 144 N 1.07 6.40 0.00 3.32 0.15 -0.00 -4.87 113.70 119.76 1a3g s SER 144 Ca 0.51 1.36 0.26 0.00 0.70 0.00 0.00 55.95 58.78 1a3g s SER 144 Cb -0.21 -2.43 0.63 0.00 -1.71 0.00 0.00 66.02 62.30 1a3g s SER 144 CO 0.24 -0.67 1.50 -1.54 1.20 0.00 0.00 173.24 173.97 1a3g n SER 145 N -2.11 0.57 -4.93 5.45 3.41 -1.26 -4.71 113.62 110.04 1a3g n SER 145 Ca 0.05 -0.34 -0.25 0.00 -0.26 0.00 0.00 58.87 58.07 1a3g n SER 145 Cb 0.54 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.88 3.43 0.12 7.33 0.52 -1.26 -5.10 118.94 121.10 1a3g s TRP 146 Ca 0.14 0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.42 1a3g s TRP 146 Cb 0.18 -1.63 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1a3g s TRP 146 CO 0.65 0.51 -0.11 -0.80 0.02 0.00 0.00 176.95 177.22 1a3g s ASN 147 N -3.32 4.30 0.53 2.95 0.02 -1.26 -4.10 114.94 114.07 1a3g s ASN 147 Ca 0.34 -0.45 -0.17 0.00 -1.02 0.00 0.00 52.86 51.56 1a3g s ASN 147 Cb -0.11 -0.77 -0.07 0.00 0.02 0.00 0.00 41.25 40.32 1a3g s ASN 147 CO 0.28 0.16 1.00 -0.13 0.02 0.00 0.00 177.10 178.43 1a3g s ARG 148 N -2.35 3.82 0.27 -0.60 0.52 0.39 -4.94 118.95 116.06 1a3g s ARG 148 Ca 0.22 1.02 -0.25 0.00 -0.52 0.00 0.00 55.73 56.19 1a3g s ARG 148 Cb -0.10 -2.11 -0.16 0.00 0.52 0.00 0.00 34.95 33.09 1a3g s ARG 148 CO 0.14 -0.38 0.36 0.00 0.02 0.00 0.00 175.30 175.44 1a3g n ALA 149 N -1.64 -2.91 -2.24 2.13 0.00 -1.26 -4.01 120.51 110.59 1a3g n ALA 149 Ca 0.07 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 1a3g n ALA 149 Cb 0.54 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.23 3.39 0.23 0.00 0.00 -1.26 -4.74 121.76 118.14 1a3g s ALA 150 Ca 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1a3g s ALA 150 Cb -0.82 -2.63 0.54 0.00 0.00 0.00 0.00 23.12 20.20 1a3g s ALA 150 CO 0.58 -0.16 1.16 -2.30 0.00 0.00 0.00 175.76 175.04 1a3g n PRO 151 N -1.74 -0.06 -2.44 0.00 -0.02 -1.26 -2.56 135.00 126.92 1a3g n PRO 151 Ca 0.01 1.12 -0.22 0.00 -2.02 0.00 0.00 63.50 62.40 1a3g n PRO 151 Cb 0.54 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.27 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 -5.05 4.01 -0.02 2.55 5.15 -1.26 -4.73 115.26 115.90 1a3g n ASN 152 Ca 0.17 -3.45 -0.04 0.00 -0.60 0.00 0.00 54.58 50.66 1a3g n ASN 152 Cb 0.54 -0.45 -0.01 0.00 -0.53 0.00 0.00 39.78 39.33 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 -0.46 0.99 -3.64 -0.44 -2.24 -1.06 -4.97 114.28 102.45 1a3g n THR 153 Ca 0.33 0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 62.09 1a3g n THR 153 Cb 0.76 -1.83 -0.16 0.00 -2.10 0.00 0.00 70.33 67.00 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 -2.10 0.23 -0.41 2.28 1.01 -1.26 -5.10 121.20 115.86 1a3g s ILE 154 Ca -0.12 -0.66 -0.42 0.00 0.00 0.00 0.00 60.65 59.44 1a3g s ILE 154 Cb 0.02 -1.01 -0.17 0.00 0.01 0.00 0.00 42.46 41.31 1a3g s ILE 154 CO 0.18 -0.47 1.94 -0.81 0.00 0.00 0.00 174.94 175.77 1a3g n PRO 155 N 5.14 0.52 0.01 2.79 -0.04 -1.26 -4.88 135.00 137.28 1a3g n PRO 155 Ca -0.06 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1a3g n PRO 155 Cb 0.45 -1.86 0.38 0.00 -0.04 0.00 0.00 33.50 32.43 1a3g n PRO 155 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a3g n THR 156 N 5.65 0.05 1.02 0.52 -2.24 -1.26 -3.47 114.28 114.55 1a3g n THR 156 Ca 0.40 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 1a3g n THR 156 Cb 0.06 -0.08 0.58 0.00 -2.10 0.00 0.00 70.33 68.78 1a3g n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a3g n ALA 157 N -1.54 2.21 -2.79 6.98 0.00 -1.26 -4.32 120.51 119.79 1a3g n ALA 157 Ca 0.06 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1a3g n ALA 157 Cb 0.35 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 1a3g n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3g s ALA 158 N -2.80 3.61 -1.28 0.00 0.00 -1.23 -4.82 121.76 115.25 1a3g s ALA 158 Ca 0.18 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1a3g s ALA 158 Cb 0.17 -2.01 0.13 0.00 0.00 0.00 0.00 23.12 21.41 1a3g s ALA 158 CO 0.42 0.28 1.70 1.17 0.00 0.00 0.00 175.76 179.33 1a3g n LYS 159 N 3.15 3.33 -3.85 0.00 4.81 -1.26 -4.95 118.16 119.39 1a3g n LYS 159 Ca -0.17 -3.51 -0.21 0.00 -0.87 0.00 0.00 58.31 53.56 1a3g n LYS 159 Cb 0.53 -3.14 -0.02 0.00 0.02 0.00 0.00 35.03 32.41 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 2.06 3.91 0.00 3.14 0.00 -1.26 -2.75 121.76 126.86 1a3g s ALA 160 Ca 0.45 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1a3g s ALA 160 Cb 0.04 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1a3g s ALA 160 CO 0.01 0.13 0.27 0.41 0.00 0.00 0.00 175.76 176.58 1a3g n GLY 161 N -1.40 -2.29 0.33 0.00 0.00 -0.29 -2.30 105.19 99.24 1a3g n GLY 161 Ca -0.05 0.26 0.28 0.00 0.00 0.00 0.00 46.02 46.52 1a3g n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3g n GLY 162 N -0.44 -0.60 0.37 -0.02 0.00 -1.06 0.47 105.19 103.91 1a3g n GLY 162 Ca 0.00 0.55 0.19 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 0.35 1.61 2.35 -1.80 -2.23 115.58 115.86 1a3g h ASN 163 Ca 0.63 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1a3g h ASN 163 Cb 2.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.38 1a3g h ASN 163 CO -0.35 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.21 1a3g n TYR 164 N -3.46 0.76 0.03 1.19 4.02 0.18 -1.50 117.16 118.38 1a3g n TYR 164 Ca 0.04 0.35 0.03 0.00 -0.01 0.00 0.00 57.90 58.31 1a3g n TYR 164 Cb 0.53 -1.06 0.42 0.00 -0.02 0.00 0.00 39.34 39.21 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 0.42 -0.53 7.72 3.38 -1.64 -1.29 115.31 123.36 1a3g h LEU 165 Ca 0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1a3g h LEU 165 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1a3g h LEU 165 CO 0.00 0.35 -0.31 -1.28 0.09 0.00 0.00 178.44 177.29 1a3g h SER 166 N 0.48 0.89 0.27 -0.43 0.87 -1.49 -2.05 113.55 112.09 1a3g h SER 166 Ca 0.12 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 1a3g h SER 166 Cb 0.04 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1a3g h SER 166 CO -0.02 1.13 -0.31 0.28 -0.53 0.00 0.00 176.83 177.38 1a3g h SER 167 N 0.72 0.07 0.64 6.23 0.02 -1.37 -2.17 113.55 117.69 1a3g h SER 167 Ca 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1a3g h SER 167 Cb 0.87 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1a3g h SER 167 CO 0.08 0.39 -0.31 0.25 -1.14 0.00 0.00 176.83 176.10 1a3g h LEU 168 N 0.07 -0.73 -0.26 5.07 6.46 -1.16 -0.40 115.31 124.36 1a3g h LEU 168 Ca 0.01 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.81 1a3g h LEU 168 Cb 0.59 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.63 1a3g h LEU 168 CO 0.04 -0.40 -0.31 -0.07 -0.62 0.00 0.00 178.44 177.09 1a3g h LEU 169 N -1.07 -0.99 -1.49 2.25 3.38 -1.27 0.14 115.31 116.25 1a3g h LEU 169 Ca -0.09 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1a3g h LEU 169 Cb 0.70 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1a3g h LEU 169 CO 0.15 -0.33 -0.15 0.58 0.09 0.00 0.00 178.44 178.78 1a3g h VAL 170 N -0.31 1.16 0.09 1.22 2.07 -1.44 -3.02 116.25 116.02 1a3g h VAL 170 Ca 0.14 -0.73 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 1a3g h VAL 170 Cb 0.53 1.27 0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1a3g h VAL 170 CO -0.44 0.22 -0.66 1.23 0.02 0.00 0.00 177.57 177.94 1a3g h GLY 171 N 0.67 0.33 0.80 2.17 0.00 0.12 -3.27 103.07 103.89 1a3g h GLY 171 Ca 0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 1a3g h GLY 171 CO 0.02 0.66 -0.08 1.76 0.00 0.00 0.00 176.54 178.91 1a3g h SER 172 N -0.36 0.41 -0.81 0.19 0.02 -0.83 -3.08 113.55 109.08 1a3g h SER 172 Ca -0.11 -0.40 0.15 0.00 -0.84 0.00 0.00 61.79 60.60 1a3g h SER 172 Cb 1.47 -0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.75 1a3g h SER 172 CO 0.13 0.71 -0.26 -0.08 -1.14 0.00 0.00 176.83 176.19 1a3g h GLU 173 N 0.10 -0.03 -0.71 3.45 4.81 -1.69 0.39 114.58 120.89 1a3g h GLU 173 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1a3g h GLU 173 Cb 0.55 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1a3g h GLU 173 CO 0.03 -0.02 0.32 0.00 -0.73 0.00 0.00 179.01 178.61 1a3g h ALA 174 N 1.60 0.92 -0.03 2.92 0.00 -1.59 -2.38 119.26 120.70 1a3g h ALA 174 Ca 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a3g h ALA 174 Cb 0.59 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a3g h ALA 174 CO -0.84 0.51 0.01 0.00 0.00 0.00 0.00 179.25 178.93 1a3g h ARG 175 N 1.00 0.04 -0.49 0.00 3.08 -1.06 0.12 114.38 117.08 1a3g h ARG 175 Ca 0.24 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.43 1a3g h ARG 175 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1a3g h ARG 175 CO -0.03 0.17 0.59 0.00 -1.07 0.00 0.00 179.97 179.63 1a3g h ARG 176 N -0.09 0.00 -0.16 0.04 3.08 0.22 -0.37 114.38 117.09 1a3g h ARG 176 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1a3g h ARG 176 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1a3g h ARG 176 CO -0.00 0.00 -0.12 0.72 -1.07 0.00 0.00 179.97 179.50 1a3g n HIS 177 N -3.53 0.53 -1.92 3.04 8.25 -1.03 -4.98 115.22 115.58 1a3g n HIS 177 Ca 0.10 -1.24 -0.02 0.00 -0.26 0.00 0.00 57.72 56.30 1a3g n HIS 177 Cb 0.78 -0.30 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.06 0.31 3.74 -1.41 0.00 -0.15 -5.05 105.19 101.57 1a3g n GLY 178 Ca 0.23 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.11 2.37 -1.67 1.61 2.02 0.40 -5.01 117.35 114.97 1a3g s TYR 179 Ca 0.00 -0.69 0.17 0.00 -0.37 0.00 0.00 57.07 56.18 1a3g s TYR 179 Cb 0.00 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1a3g s TYR 179 CO 0.00 0.17 0.92 1.04 -1.57 0.00 0.00 175.55 176.10 1a3g n GLN 180 N -1.25 1.60 -3.60 -0.62 3.00 -0.63 -4.06 117.38 111.81 1a3g n GLN 180 Ca -0.05 -0.98 -0.11 0.00 -0.01 0.00 0.00 57.00 55.86 1a3g n GLN 180 Cb 0.65 -1.30 -0.06 0.00 0.00 0.00 0.00 30.24 29.53 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 -1.84 0.59 -0.14 -1.09 2.56 -1.24 -4.98 118.70 112.55 1a3g s GLU 181 Ca 0.15 0.39 -0.03 0.00 0.00 0.00 0.00 54.97 55.48 1a3g s GLU 181 Cb 0.14 0.28 -0.03 0.00 2.00 0.00 0.00 34.13 36.52 1a3g s GLU 181 CO 0.38 -0.14 -0.05 0.20 -0.56 0.00 0.00 175.26 175.09 1a3g s GLY 182 N -0.45 1.70 -0.13 -1.50 0.00 -1.26 -1.07 107.32 104.61 1a3g s GLY 182 Ca -0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 1a3g s GLY 182 CO -0.01 -0.14 0.28 -0.42 0.00 0.00 0.00 173.10 172.80 1a3g s ILE 183 N 0.24 5.30 0.11 0.90 1.01 0.96 -2.29 121.20 127.42 1a3g s ILE 183 Ca -0.03 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.16 1a3g s ILE 183 Cb -0.14 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1a3g s ILE 183 CO 0.03 0.45 0.21 0.00 0.00 0.00 0.00 174.94 175.63 1a3g s ALA 184 N 0.04 3.88 0.24 9.38 0.00 -0.57 -0.82 121.76 133.90 1a3g s ALA 184 Ca 0.17 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1a3g s ALA 184 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1a3g s ALA 184 CO 0.05 0.68 0.18 -0.51 0.00 0.00 0.00 175.76 176.16 1a3g s LEU 185 N -2.81 3.79 0.79 0.00 1.43 -1.26 -1.07 118.68 119.55 1a3g s LEU 185 Ca 0.33 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1a3g s LEU 185 Cb -0.12 -2.33 0.14 0.00 0.03 0.00 0.00 46.19 43.91 1a3g s LEU 185 CO 0.27 -0.03 1.09 1.51 0.23 0.00 0.00 176.35 179.43 1a3g s ASP 186 N -3.76 4.04 0.00 2.29 -4.77 0.78 -0.46 116.67 114.79 1a3g s ASP 186 Ca 0.33 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 1a3g s ASP 186 Cb -0.08 -0.26 0.00 0.00 -1.09 0.00 0.00 42.92 41.49 1a3g s ASP 186 CO 0.25 -2.09 0.72 1.33 0.70 0.00 0.00 175.17 176.08 1a3g n VAL 187 N -3.13 0.98 0.96 2.11 0.24 -1.26 -0.65 118.33 117.59 1a3g n VAL 187 Ca 0.14 0.28 0.11 0.00 -2.04 0.00 0.00 64.34 62.83 1a3g n VAL 187 Cb 0.60 -1.28 0.02 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.22 2.21 0.00 -1.34 3.02 -1.26 -4.95 115.26 111.72 1a3g n ASN 188 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 1a3g n ASN 188 Cb 0.03 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.36 0.49 3.75 7.41 0.00 0.17 -5.06 105.19 113.32 1a3g n GLY 189 Ca 0.10 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 2.99 0.21 1.61 2.02 -1.26 -4.12 117.35 116.80 1a3g s TYR 190 Ca 0.00 -0.12 -0.31 0.00 -0.37 0.00 0.00 57.07 56.28 1a3g s TYR 190 Cb 0.00 -1.38 -0.10 0.00 -0.40 0.00 0.00 41.96 40.08 1a3g s TYR 190 CO 0.00 0.54 1.49 0.42 -1.57 0.00 0.00 175.55 176.43 1a3g s ILE 191 N -2.00 2.64 0.00 2.71 1.01 0.23 -0.16 121.20 125.64 1a3g s ILE 191 Ca 0.31 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1a3g s ILE 191 Cb -0.08 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1a3g s ILE 191 CO 0.22 0.06 0.00 -0.24 0.00 0.00 0.00 174.94 174.99 1a3g n SER 192 N 3.01 0.00 -3.56 3.58 2.88 -0.23 -4.60 113.62 114.70 1a3g n SER 192 Ca 0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.62 1a3g n SER 192 Cb 0.40 -0.06 0.01 0.00 -0.75 0.00 0.00 64.21 63.81 1a3g n SER 192 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1a3g s GLU 193 N -0.12 0.96 0.00 -1.46 -1.05 -1.18 -4.70 118.70 111.15 1a3g s GLU 193 Ca 0.00 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1a3g s GLU 193 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 1a3g s GLU 193 CO 0.00 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.17 1a3g n GLY 194 N -0.68 -2.10 0.36 -3.83 0.00 0.28 -1.52 105.19 97.71 1a3g n GLY 194 Ca -0.03 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 1.29 -0.21 4.61 0.00 -1.80 -3.30 119.26 117.84 1a3g h ALA 195 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1a3g h ALA 195 Cb 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 17.79 17.18 1a3g h ALA 195 CO 0.00 0.52 -0.67 0.41 0.00 0.00 0.00 179.25 179.51 1a3g n GLY 196 N -1.36 1.90 3.54 0.00 0.00 -1.26 -4.37 105.19 103.64 1a3g n GLY 196 Ca 0.13 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.68 0.85 0.99 1.61 1.03 -1.24 -4.88 118.70 115.38 1a3g s GLU 197 Ca 0.18 0.18 -0.12 0.00 0.03 0.00 0.00 54.97 55.23 1a3g s GLU 197 Cb 0.39 0.40 0.18 0.00 -0.80 0.00 0.00 34.13 34.31 1a3g s GLU 197 CO -0.09 -0.27 1.09 -0.80 -1.33 0.00 0.00 175.26 173.86 1a3g s ASN 198 N -1.23 2.63 0.00 0.83 0.01 -0.73 -0.56 114.94 115.91 1a3g s ASN 198 Ca -0.06 1.33 0.02 0.00 -0.71 0.00 0.00 52.86 53.44 1a3g s ASN 198 Cb -0.00 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 1a3g s ASN 198 CO 0.05 -3.15 -0.07 -0.22 -1.51 0.00 0.00 177.10 172.21 1a3g s LEU 199 N -6.50 2.05 0.11 0.60 1.98 -1.26 -2.54 118.68 113.12 1a3g s LEU 199 Ca 0.65 -0.18 0.03 0.00 -2.89 0.00 0.00 54.13 51.74 1a3g s LEU 199 Cb -0.19 -0.33 -0.04 0.00 0.66 0.00 0.00 46.19 46.29 1a3g s LEU 199 CO 0.58 0.05 -0.08 -0.36 -1.89 0.00 0.00 176.35 174.65 1a3g s PHE 200 N -0.32 1.00 0.02 5.38 0.40 0.18 -4.38 117.98 120.27 1a3g s PHE 200 Ca 0.01 -0.84 -0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1a3g s PHE 200 Cb -0.04 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 1a3g s PHE 200 CO -0.00 -0.07 -0.02 -1.21 0.70 0.00 0.00 175.22 174.62 1a3g s GLU 201 N -3.67 0.35 -0.07 0.44 2.02 -1.11 -1.65 118.70 115.00 1a3g s GLU 201 Ca 0.12 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.50 1a3g s GLU 201 Cb 0.04 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.38 1a3g s GLU 201 CO -0.03 -0.06 -0.23 0.08 0.02 0.00 0.00 175.26 175.04 1a3g s VAL 202 N -1.70 2.26 0.00 2.63 1.01 0.13 -4.37 120.40 120.35 1a3g s VAL 202 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1a3g s VAL 202 Cb -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1a3g s VAL 202 CO -0.02 0.57 0.00 1.17 0.00 0.00 0.00 175.10 176.82 1a3g n LYS 203 N 2.99 0.00 -1.91 2.72 0.00 -0.96 -1.10 118.16 119.91 1a3g n LYS 203 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.78 1a3g n LYS 203 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.54 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 7.42 0.00 3.14 8.00 -1.26 -4.39 116.55 129.46 1a3g n ASP 204 Ca 0.00 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1a3g n ASP 204 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 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 1.06 0.47 3.60 0.44 0.00 -1.26 -5.06 105.19 104.43 1a3g n GLY 205 Ca 0.56 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.18 -0.17 1.61 1.01 -1.26 -4.49 120.40 118.28 1a3g s VAL 206 Ca 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 61.98 59.80 1a3g s VAL 206 Cb 0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 1a3g s VAL 206 CO 0.00 -0.38 -0.06 0.18 0.00 0.00 0.00 175.10 174.84 1a3g n LEU 207 N -0.82 1.83 -1.90 3.92 4.77 -0.59 -2.26 117.00 121.95 1a3g n LEU 207 Ca -0.06 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1a3g n LEU 207 Cb 0.59 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1a3g n LEU 207 CO 0.40 -0.20 -0.40 0.49 -1.33 0.00 0.00 177.39 176.35 1a3g n PHE 208 N -4.54 -4.10 -3.63 -1.77 3.72 -1.04 -3.21 117.46 102.88 1a3g n PHE 208 Ca -0.17 2.47 -0.15 0.00 -0.05 0.00 0.00 57.45 59.55 1a3g n PHE 208 Cb 0.42 -3.45 -0.07 0.00 -0.94 0.00 0.00 39.48 35.44 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 -0.45 0.00 0.74 4.37 -4.23 -0.99 -2.77 115.64 112.31 1a3g s THR 209 Ca 0.00 -0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 1a3g s THR 209 Cb 0.00 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.94 1a3g s THR 209 CO 0.00 -0.01 0.99 -0.81 -0.54 0.00 0.00 174.62 174.25 1a3g n PRO 210 N 2.24 0.45 -1.90 3.99 -0.04 -1.25 -1.91 135.00 136.59 1a3g n PRO 210 Ca -0.15 0.21 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1a3g n PRO 210 Cb 0.56 -2.25 0.08 0.00 -0.04 0.00 0.00 33.50 31.85 1a3g n PRO 210 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1a3g s PRO 211 N -3.45 2.26 0.51 0.54 0.02 -1.26 -4.77 135.00 128.85 1a3g s PRO 211 Ca 0.73 0.22 0.29 0.00 0.02 0.00 0.00 61.00 62.26 1a3g s PRO 211 Cb -0.33 -1.98 1.28 0.00 0.02 0.00 0.00 34.50 33.49 1a3g s PRO 211 CO 0.51 -1.41 1.97 0.74 -0.33 0.00 0.00 177.00 178.48 1a3g h PHE 212 N -0.92 0.00 0.00 6.54 0.04 -1.95 -1.95 116.94 118.70 1a3g h PHE 212 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1a3g h PHE 212 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1a3g h PHE 212 CO 0.37 0.12 0.00 0.25 -0.60 0.00 0.00 178.31 178.46 1a3g n THR 213 N -3.35 1.09 -0.42 -1.55 -2.24 -1.26 -1.54 114.28 104.99 1a3g n THR 213 Ca -0.00 0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 62.08 1a3g n THR 213 Cb 0.32 -1.40 0.10 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.05 3.93 -2.58 3.42 7.64 -0.73 -4.86 113.62 118.38 1a3g n SER 214 Ca 0.01 -3.00 -0.19 0.00 1.01 0.00 0.00 58.87 56.70 1a3g n SER 214 Cb 0.12 -0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 -0.40 -5.24 -4.86 6.43 7.64 -0.59 -4.34 113.62 112.27 1a3g n SER 215 Ca 0.36 -0.02 -0.37 0.00 1.01 0.00 0.00 58.87 59.84 1a3g n SER 215 Cb 1.11 -4.35 -0.06 0.00 -1.01 0.00 0.00 64.21 59.90 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 -2.94 3.79 0.24 -0.43 0.00 -1.12 -4.84 121.76 116.46 1a3g s ALA 216 Ca 0.08 -0.46 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1a3g s ALA 216 Cb -0.04 -2.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.83 1a3g s ALA 216 CO 0.09 0.54 0.91 -1.17 0.00 0.00 0.00 175.76 176.13 1a3g s LEU 217 N -1.00 4.58 -0.66 0.00 0.20 -1.26 -4.58 118.68 115.95 1a3g s LEU 217 Ca 0.19 1.86 -0.27 0.00 0.69 0.00 0.00 54.13 56.60 1a3g s LEU 217 Cb -0.14 -3.63 -0.01 0.00 -0.43 0.00 0.00 46.19 41.99 1a3g s LEU 217 CO 0.08 0.12 1.69 -2.84 -0.29 0.00 0.00 176.35 175.12 1a3g s PRO 218 N -1.35 2.79 0.32 0.98 0.02 -1.26 -4.93 135.00 131.57 1a3g s PRO 218 Ca 0.42 0.33 -0.23 0.00 0.02 0.00 0.00 61.00 61.54 1a3g s PRO 218 Cb -0.24 -4.35 -0.10 0.00 0.02 0.00 0.00 34.50 29.83 1a3g s PRO 218 CO 0.29 -2.58 0.89 0.20 -0.33 0.00 0.00 177.00 175.47 1a3g s GLY 219 N 6.83 2.65 0.16 0.52 0.00 -1.26 -4.97 107.32 111.26 1a3g s GLY 219 Ca 0.58 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.65 1a3g s GLY 219 CO 0.18 0.77 1.43 -2.22 0.00 0.00 0.00 173.10 173.27 1a3g h ILE 220 N 2.46 1.33 -0.20 0.90 2.04 -1.99 -0.90 117.51 121.16 1a3g h ILE 220 Ca -0.47 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 63.37 1a3g h ILE 220 Cb 1.19 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1a3g h ILE 220 CO 0.64 0.61 -0.02 0.74 0.00 0.00 0.00 178.15 180.13 1a3g h THR 221 N 0.39 1.27 -0.68 -0.27 2.02 -1.93 -0.96 112.91 112.75 1a3g h THR 221 Ca -0.02 -0.92 0.14 0.00 0.77 0.00 0.00 66.41 66.38 1a3g h THR 221 Cb 1.26 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 69.05 1a3g h THR 221 CO 0.13 0.28 0.15 -0.09 0.37 0.00 0.00 175.52 176.36 1a3g h ARG 222 N 0.10 0.26 -0.28 6.66 2.43 -1.85 0.23 114.38 121.93 1a3g h ARG 222 Ca 0.05 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1a3g h ARG 222 Cb 0.43 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1a3g h ARG 222 CO 0.01 0.17 0.17 0.22 -1.51 0.00 0.00 179.97 179.03 1a3g h ASP 223 N 0.27 0.34 -0.09 -3.80 3.58 -0.87 -0.66 116.42 115.18 1a3g h ASP 223 Ca 0.37 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.80 1a3g h ASP 223 Cb 0.61 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1a3g h ASP 223 CO -0.47 0.29 -0.09 0.00 -2.88 0.00 0.00 179.24 176.10 1a3g h ALA 224 N 1.06 -0.02 -0.90 -0.78 0.00 0.54 -2.13 119.26 117.03 1a3g h ALA 224 Ca 0.10 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1a3g h ALA 224 Cb 0.02 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1a3g h ALA 224 CO -0.02 -0.55 0.59 0.82 0.00 0.00 0.00 179.25 180.09 1a3g h ILE 225 N -0.11 1.08 0.05 0.00 5.03 -0.14 -0.68 117.51 122.74 1a3g h ILE 225 Ca 0.07 -0.36 -0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1a3g h ILE 225 Cb 0.20 -0.05 0.00 0.00 -3.03 0.00 0.00 36.82 33.94 1a3g h ILE 225 CO -0.16 0.19 -0.02 0.40 -0.68 0.00 0.00 178.15 177.88 1a3g h ILE 226 N 1.04 1.02 -0.00 -0.67 2.04 -0.51 -0.58 117.51 119.84 1a3g h ILE 226 Ca 0.39 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 66.07 1a3g h ILE 226 Cb 0.18 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1a3g h ILE 226 CO -0.14 0.05 -0.39 0.11 0.00 0.00 0.00 178.15 177.78 1a3g h LYS 227 N -0.16 -0.52 -0.52 2.37 1.57 -0.60 0.11 116.57 118.82 1a3g h LYS 227 Ca -0.01 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1a3g h LYS 227 Cb 0.14 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 1a3g h LYS 227 CO 0.01 -0.35 0.15 -0.07 -0.57 0.00 0.00 179.45 178.62 1a3g h LEU 228 N -0.54 0.10 -0.59 2.94 3.38 -1.16 -0.16 115.31 119.28 1a3g h LEU 228 Ca 0.05 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1a3g h LEU 228 Cb 0.62 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1a3g h LEU 228 CO -0.30 0.08 0.15 0.00 0.09 0.00 0.00 178.44 178.46 1a3g h ALA 229 N 1.38 0.72 -0.73 1.53 0.00 -0.21 0.18 119.26 122.12 1a3g h ALA 229 Ca 0.26 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1a3g h ALA 229 Cb 0.33 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1a3g h ALA 229 CO -0.30 -0.27 0.38 0.87 0.00 0.00 0.00 179.25 179.93 1a3g h LYS 230 N 0.30 1.02 0.00 0.00 1.57 0.72 0.34 116.57 120.52 1a3g h LYS 230 Ca 0.30 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1a3g h LYS 230 Cb 0.43 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1a3g h LYS 230 CO -0.36 0.77 -0.29 0.93 -0.57 0.00 0.00 179.45 179.93 1a3g h GLU 231 N 1.00 0.00 -0.02 3.15 4.39 0.34 0.73 114.58 124.17 1a3g h GLU 231 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1a3g h GLU 231 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1a3g h GLU 231 CO -0.04 0.29 0.00 1.28 -1.16 0.00 0.00 179.01 179.38 1a3g n LEU 232 N -4.00 0.35 -1.61 1.33 4.77 0.40 -4.89 117.00 113.35 1a3g n LEU 232 Ca -0.02 -0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.73 1a3g n LEU 232 Cb 0.36 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1a3g n LEU 232 CO 0.37 0.07 0.03 0.61 -1.33 0.00 0.00 177.39 177.14 1a3g n GLY 233 N 0.94 0.19 3.74 -0.72 0.00 0.25 -5.04 105.19 104.54 1a3g n GLY 233 Ca 0.18 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.92 4.81 0.39 -0.61 1.01 0.02 -5.01 121.20 118.89 1a3g s ILE 234 Ca 0.18 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 1a3g s ILE 234 Cb -0.08 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 1a3g s ILE 234 CO 0.22 0.58 1.04 -0.70 0.00 0.00 0.00 174.94 176.08 1a3g s GLU 235 N -0.64 4.23 -0.05 2.79 2.12 -1.26 -4.28 118.70 121.60 1a3g s GLU 235 Ca 0.11 1.51 0.03 0.00 0.36 0.00 0.00 54.97 56.99 1a3g s GLU 235 Cb -0.12 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1a3g s GLU 235 CO 0.02 -0.09 -0.14 0.08 -0.54 0.00 0.00 175.26 174.59 1a3g s VAL 236 N -1.63 1.23 -0.23 3.70 1.01 -1.26 -1.54 120.40 121.68 1a3g s VAL 236 Ca 0.56 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1a3g s VAL 236 Cb -0.22 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.14 1a3g s VAL 236 CO 0.28 0.37 -0.03 -0.13 0.00 0.00 0.00 175.10 175.59 1a3g s ARG 237 N 0.22 1.36 -0.35 2.72 0.52 -1.26 -4.81 118.95 117.35 1a3g s ARG 237 Ca -0.06 -0.86 -0.24 0.00 -0.52 0.00 0.00 55.73 54.04 1a3g s ARG 237 Cb -0.12 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.89 1a3g s ARG 237 CO 0.02 -0.62 0.84 -1.21 0.02 0.00 0.00 175.30 174.35 1a3g s GLU 238 N 1.51 3.85 -0.03 3.54 2.02 -1.26 -2.35 118.70 125.98 1a3g s GLU 238 Ca -0.04 0.50 -0.20 0.00 0.02 0.00 0.00 54.97 55.25 1a3g s GLU 238 Cb -0.18 -3.78 0.04 0.00 0.10 0.00 0.00 34.13 30.30 1a3g s GLU 238 CO -0.07 -0.83 0.43 1.14 0.02 0.00 0.00 175.26 175.95 1a3g s GLN 239 N 3.19 0.80 0.32 1.61 -2.07 -0.80 -4.83 119.66 117.88 1a3g s GLN 239 Ca 0.34 -0.04 -0.28 0.00 -1.82 0.00 0.00 55.36 53.55 1a3g s GLN 239 Cb -0.13 0.36 -0.13 0.00 -1.09 0.00 0.00 33.01 32.03 1a3g s GLN 239 CO 0.16 -0.23 1.29 0.28 -1.32 0.00 0.00 175.29 175.47 1a3g n VAL 240 N 1.16 1.84 -4.97 3.63 0.31 -1.26 -3.95 118.33 115.08 1a3g n VAL 240 Ca -0.21 -0.46 -0.27 0.00 -0.01 0.00 0.00 64.34 63.39 1a3g n VAL 240 Cb 0.56 -1.53 -0.16 0.00 -0.91 0.00 0.00 33.84 31.81 1a3g n VAL 240 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a3g s LEU 241 N -0.77 2.00 0.09 7.52 1.43 -1.26 -5.01 118.68 122.67 1a3g s LEU 241 Ca 0.57 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.07 1a3g s LEU 241 Cb -0.59 -1.06 -0.07 0.00 0.03 0.00 0.00 46.19 44.50 1a3g s LEU 241 CO 0.60 0.21 0.66 -0.94 0.23 0.00 0.00 176.35 177.11 1a3g s SER 242 N -0.25 7.17 0.31 2.29 1.04 -1.26 0.76 113.70 123.76 1a3g s SER 242 Ca 0.02 1.39 0.13 0.00 0.48 0.00 0.00 55.95 57.96 1a3g s SER 242 Cb -0.10 -2.41 1.01 0.00 0.10 0.00 0.00 66.02 64.62 1a3g s SER 242 CO 0.01 0.21 1.40 -1.14 0.98 0.00 0.00 173.24 174.70 1a3g n ARG 243 N 1.91 -0.06 0.21 4.02 0.63 -1.26 -0.42 116.66 121.69 1a3g n ARG 243 Ca -0.08 1.26 0.15 0.00 -0.92 0.00 0.00 57.85 58.26 1a3g n ARG 243 Cb 0.50 -2.17 0.68 0.00 0.45 0.00 0.00 32.46 31.92 1a3g n ARG 243 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1a3g h GLU 244 N 0.00 0.00 0.00 -0.14 3.07 -1.94 -2.58 114.58 112.99 1a3g h GLU 244 Ca 0.68 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.48 1a3g h GLU 244 Cb 1.68 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.58 1a3g h GLU 244 CO -0.74 0.00 -0.26 0.66 -1.40 0.00 0.00 179.01 177.28 1a3g h SER 245 N 0.00 0.00 -0.27 1.42 4.64 -1.13 -2.65 113.55 115.57 1a3g h SER 245 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1a3g h SER 245 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1a3g h SER 245 CO 0.00 0.26 0.19 -0.07 -0.87 0.00 0.00 176.83 176.34 1a3g h LEU 246 N 0.00 0.01 -0.49 5.97 3.38 -1.63 0.15 115.31 122.70 1a3g h LEU 246 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a3g h LEU 246 Cb 0.50 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1a3g h LEU 246 CO 0.03 0.01 -0.41 -1.22 0.09 0.00 0.00 178.44 176.94 1a3g n TYR 247 N -4.46 0.00 0.36 1.13 4.01 -1.00 -3.96 117.16 113.23 1a3g n TYR 247 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1a3g n TYR 247 Cb 0.35 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1a3g n TYR 247 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1a3g n LEU 248 N -0.71 0.64 -4.79 7.72 4.77 0.33 -4.88 117.00 120.07 1a3g n LEU 248 Ca 0.10 -0.60 -0.33 0.00 -0.03 0.00 0.00 56.01 55.15 1a3g n LEU 248 Cb 0.37 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1a3g n LEU 248 CO 0.29 0.14 0.73 0.00 -1.33 0.00 0.00 177.39 177.22 1a3g s ALA 249 N -1.51 2.63 0.11 -1.18 0.00 -0.04 -4.98 121.76 116.79 1a3g s ALA 249 Ca 0.04 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.40 1a3g s ALA 249 Cb 0.06 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 1a3g s ALA 249 CO 0.27 -1.01 1.26 -0.44 0.00 0.00 0.00 175.76 175.83 1a3g h ASP 250 N 0.23 0.53 -5.04 0.00 3.32 -1.34 -3.26 116.42 110.85 1a3g h ASP 250 Ca -0.47 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 56.01 1a3g h ASP 250 Cb 1.23 -0.16 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 1a3g h ASP 250 CO 0.56 1.27 -0.40 -1.61 -1.72 0.00 0.00 179.24 177.34 1a3g s GLU 251 N -3.12 0.64 -0.11 3.56 2.02 -1.06 -4.17 118.70 116.46 1a3g s GLU 251 Ca -0.06 -0.53 -0.10 0.00 0.02 0.00 0.00 54.97 54.30 1a3g s GLU 251 Cb 0.08 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.61 1a3g s GLU 251 CO 0.87 -0.18 0.30 0.14 0.02 0.00 0.00 175.26 176.42 1a3g s VAL 252 N -2.15 0.00 0.04 2.63 -7.23 -1.26 0.20 120.40 112.63 1a3g s VAL 252 Ca -0.08 -0.01 -0.23 0.00 -1.81 0.00 0.00 61.98 59.84 1a3g s VAL 252 Cb -0.03 -0.42 0.06 0.00 0.56 0.00 0.00 36.38 36.54 1a3g s VAL 252 CO -0.02 -0.01 0.54 0.72 -0.31 0.00 0.00 175.10 176.03 1a3g s PHE 253 N 0.12 -0.46 0.33 2.82 -0.12 -0.66 -0.56 117.98 119.46 1a3g s PHE 253 Ca -0.00 0.54 0.08 0.00 -0.05 0.00 0.00 56.93 57.49 1a3g s PHE 253 Cb -0.02 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1a3g s PHE 253 CO 0.00 -0.65 0.22 -1.64 -0.05 0.00 0.00 175.22 173.10 1a3g s MET 254 N -2.39 2.58 -0.06 1.99 -1.94 -0.38 -0.64 119.30 118.46 1a3g s MET 254 Ca -0.06 -1.38 -0.14 0.00 -1.71 0.00 0.00 55.69 52.40 1a3g s MET 254 Cb -0.01 -2.35 0.03 0.00 2.01 0.00 0.00 34.83 34.51 1a3g s MET 254 CO -0.01 0.13 0.33 -1.54 -0.01 0.00 0.00 175.02 173.92 1a3g s SER 255 N -3.91 -0.26 0.00 3.03 1.04 -1.05 -0.44 113.70 112.11 1a3g s SER 255 Ca 0.39 0.32 -0.28 0.00 0.48 0.00 0.00 55.95 56.85 1a3g s SER 255 Cb -0.05 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.63 1a3g s SER 255 CO 0.25 -0.33 0.86 -0.83 0.98 0.00 0.00 173.24 174.17 1a3g s GLY 256 N -0.78 -0.47 0.25 7.32 0.00 -0.80 -1.77 107.32 111.08 1a3g s GLY 256 Ca -0.09 1.00 -0.03 0.00 0.00 0.00 0.00 44.72 45.60 1a3g s GLY 256 CO 0.03 0.34 1.80 -0.84 0.00 0.00 0.00 173.10 174.44 1a3g h THR 257 N 2.02 0.88 0.00 0.90 2.02 -1.91 0.65 112.91 117.47 1a3g h THR 257 Ca -0.23 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1a3g h THR 257 Cb 1.24 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1a3g h THR 257 CO 0.31 0.14 -0.20 0.00 0.37 0.00 0.00 175.52 176.15 1a3g n ALA 258 N -2.38 2.72 -0.25 6.16 0.00 -1.26 -3.96 120.51 121.55 1a3g n ALA 258 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a3g n ALA 258 Cb 0.32 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1a3g n ALA 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3g n ALA 259 N -1.57 1.80 -0.15 0.00 0.00 -1.00 -5.06 120.51 114.53 1a3g n ALA 259 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1a3g n ALA 259 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1a3g n ALA 259 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a3g n GLU 260 N -0.42 0.00 -3.78 0.00 1.02 0.19 -3.29 120.64 114.36 1a3g n GLU 260 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1a3g n GLU 260 Cb 0.31 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.58 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 1.08 -0.21 -3.67 1.01 -1.26 -1.90 121.20 116.26 1a3g s ILE 261 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 60.65 59.02 1a3g s ILE 261 Cb 0.00 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 1a3g s ILE 261 CO 0.00 -0.63 0.24 -0.89 0.00 0.00 0.00 174.94 173.66 1a3g s THR 262 N 1.52 5.31 0.47 2.92 2.01 0.41 -4.90 115.64 123.39 1a3g s THR 262 Ca 0.09 0.38 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 1a3g s THR 262 Cb -0.18 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1a3g s THR 262 CO -0.22 0.34 0.96 -2.84 -0.69 0.00 0.00 174.62 172.17 1a3g s PRO 263 N 0.95 4.05 -0.12 4.92 0.02 -1.26 -1.25 135.00 142.31 1a3g s PRO 263 Ca 0.12 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.14 1a3g s PRO 263 Cb -0.13 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.21 1a3g s PRO 263 CO 0.04 -0.16 -0.16 0.08 -0.33 0.00 0.00 177.00 176.47 1a3g s VAL 264 N -2.44 2.73 -0.10 3.83 1.01 0.28 -1.84 120.40 123.87 1a3g s VAL 264 Ca 0.60 -0.77 0.19 0.00 0.00 0.00 0.00 61.98 62.00 1a3g s VAL 264 Cb -0.10 -2.12 -0.29 0.00 0.00 0.00 0.00 36.38 33.87 1a3g s VAL 264 CO 0.24 0.53 0.29 -2.11 0.00 0.00 0.00 175.10 174.06 1a3g n ARG 265 N 3.58 0.72 -3.83 2.72 1.85 -1.26 -4.33 116.66 116.11 1a3g n ARG 265 Ca -0.18 -0.11 -0.12 0.00 -1.00 0.00 0.00 57.85 56.43 1a3g n ARG 265 Cb 0.53 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.34 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 -4.83 -0.09 -0.08 2.89 1.04 -1.26 -0.12 113.70 111.24 1a3g s SER 266 Ca -0.08 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1a3g s SER 266 Cb 0.10 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1a3g s SER 266 CO 0.84 -0.30 -0.12 -0.69 0.98 0.00 0.00 173.24 173.95 1a3g s VAL 267 N -0.94 1.20 -1.73 5.02 1.01 -0.32 0.34 120.40 124.98 1a3g s VAL 267 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1a3g s VAL 267 Cb -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1a3g s VAL 267 CO 0.02 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.96 1a3g n ASP 268 N 4.13 -4.40 0.00 3.32 8.00 -0.75 -0.86 116.55 125.99 1a3g n ASP 268 Ca -0.20 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1a3g n ASP 268 Cb 0.51 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 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 -0.28 0.73 3.54 0.44 0.00 -1.26 -5.02 105.19 103.33 1a3g n GLY 269 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.36 5.24 0.09 -0.61 1.01 -0.04 -5.04 121.20 119.50 1a3g s ILE 270 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.26 1a3g s ILE 270 Cb 0.00 -3.74 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 1a3g s ILE 270 CO 0.00 -0.01 1.74 1.67 0.00 0.00 0.00 174.94 178.34 1a3g n GLN 271 N 5.22 2.40 -2.79 2.79 7.27 -1.26 -1.17 117.38 129.83 1a3g n GLN 271 Ca -0.11 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.41 1a3g n GLN 271 Cb 0.50 -2.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.41 1a3g n GLN 271 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1a3g s VAL 272 N 2.24 4.83 0.00 1.69 1.01 0.83 -4.64 120.40 126.35 1a3g s VAL 272 Ca 0.83 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.64 1a3g s VAL 272 Cb -0.61 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1a3g s VAL 272 CO 0.40 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1a3g n GLY 273 N 3.28 0.00 3.26 4.51 0.00 -1.23 -3.47 105.19 111.55 1a3g n GLY 273 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.36 -1.63 -0.86 1.61 1.02 -1.26 -4.27 120.64 115.61 1a3g n GLU 274 Ca 0.00 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1a3g n GLU 274 Cb 0.00 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.13 1a3g n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a3g n GLY 275 N -1.57 0.00 0.00 0.62 0.00 -1.23 -4.39 105.19 98.62 1a3g n GLY 275 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.28 0.00 0.00 1.61 0.00 -1.26 -4.59 116.66 112.14 1a3g n ARG 276 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a3g n ARG 276 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 0.00 -0.23 0.22 0.00 0.00 -1.26 -4.76 105.19 99.15 1a3g n GLY 278 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1a3g n GLY 278 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a3g h PRO 279 N 5.23 0.06 -0.03 1.61 0.11 -1.99 0.74 132.00 137.73 1a3g h PRO 279 Ca 0.00 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 1a3g h PRO 279 Cb 0.55 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1a3g h PRO 279 CO 0.72 0.04 -0.67 0.28 -0.21 0.00 0.00 178.00 178.15 1a3g h VAL 280 N 0.06 1.44 -0.14 3.15 2.07 -2.00 -1.52 116.25 119.31 1a3g h VAL 280 Ca 0.28 -2.20 -0.06 0.00 0.82 0.00 0.00 66.70 65.53 1a3g h VAL 280 Cb 0.43 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1a3g h VAL 280 CO -0.52 0.64 -0.21 0.74 0.02 0.00 0.00 177.57 178.24 1a3g h THR 281 N 0.10 1.22 0.79 2.57 2.02 -1.11 -1.85 112.91 116.64 1a3g h THR 281 Ca -0.01 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1a3g h THR 281 Cb 1.20 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1a3g h THR 281 CO 0.10 0.30 -0.38 0.11 0.37 0.00 0.00 175.52 176.02 1a3g h LYS 282 N 0.22 -1.02 -1.00 6.66 1.79 0.13 -0.43 116.57 122.92 1a3g h LYS 282 Ca 0.04 0.07 0.21 0.00 -2.18 0.00 0.00 60.65 58.79 1a3g h LYS 282 Cb 0.50 0.23 -0.10 0.00 -1.58 0.00 0.00 32.23 31.28 1a3g h LYS 282 CO 0.03 -0.68 0.62 0.00 -1.08 0.00 0.00 179.45 178.34 1a3g h ARG 283 N -1.13 0.60 0.00 3.15 3.08 -1.14 0.53 114.38 119.46 1a3g h ARG 283 Ca -0.11 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1a3g h ARG 283 Cb 0.81 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1a3g h ARG 283 CO 0.18 0.40 -0.45 0.82 -1.07 0.00 0.00 179.97 179.85 1a3g h ILE 284 N 0.62 0.85 0.06 2.04 2.04 -1.21 -0.91 117.51 121.01 1a3g h ILE 284 Ca 0.58 -1.94 -0.27 0.00 1.00 0.00 0.00 64.86 64.23 1a3g h ILE 284 Cb 1.10 2.23 0.02 0.00 -0.74 0.00 0.00 36.82 39.42 1a3g h ILE 284 CO -0.35 0.44 -1.11 -0.61 0.00 0.00 0.00 178.15 176.52 1a3g h GLN 285 N 0.00 0.54 -0.35 2.37 4.15 0.11 -2.06 115.11 119.87 1a3g h GLN 285 Ca -0.00 -0.66 -0.03 0.00 0.77 0.00 0.00 58.65 58.72 1a3g h GLN 285 Cb 1.19 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 1a3g h GLN 285 CO 0.06 1.27 0.10 1.96 -1.93 0.00 0.00 178.83 180.29 1a3g h GLN 286 N 0.27 0.56 0.25 1.69 4.20 0.04 -2.28 115.11 119.84 1a3g h GLN 286 Ca -0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1a3g h GLN 286 Cb 1.78 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.48 1a3g h GLN 286 CO 0.21 0.59 -0.12 0.00 -0.67 0.00 0.00 178.83 178.84 1a3g h ALA 287 N 0.94 -0.33 -0.73 3.87 0.00 -1.20 -0.62 119.26 121.19 1a3g h ALA 287 Ca 0.11 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1a3g h ALA 287 Cb 0.28 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1a3g h ALA 287 CO -0.00 -0.62 0.34 0.35 0.00 0.00 0.00 179.25 179.32 1a3g h PHE 288 N -0.48 0.59 0.00 0.00 3.57 -1.37 -1.68 116.94 117.58 1a3g h PHE 288 Ca -0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1a3g h PHE 288 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1a3g h PHE 288 CO -0.02 0.17 -0.43 0.74 -2.23 0.00 0.00 178.31 176.54 1a3g h PHE 289 N 0.55 0.00 0.00 0.41 0.04 -1.29 -2.69 116.94 113.95 1a3g h PHE 289 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1a3g h PHE 289 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1a3g h PHE 289 CO -0.13 0.43 0.00 0.41 -0.60 0.00 0.00 178.31 178.43 1a3g n GLY 290 N 1.19 -0.54 0.14 -1.45 0.00 -0.25 -0.98 105.19 103.30 1a3g n GLY 290 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1a3g n GLY 290 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a3g h LEU 291 N 0.00 0.41 0.00 0.99 3.38 -1.40 0.54 115.31 119.22 1a3g h LEU 291 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1a3g h LEU 291 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1a3g h LEU 291 CO 0.00 0.77 0.00 0.49 0.09 0.00 0.00 178.44 179.79 1a3g n PHE 292 N -4.56 0.00 -0.06 1.13 3.72 -0.16 -2.66 117.46 114.88 1a3g n PHE 292 Ca -0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.29 1a3g n PHE 292 Cb 0.34 -0.07 -0.11 0.00 -0.94 0.00 0.00 39.48 38.70 1a3g n PHE 292 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1a3g n THR 293 N -1.07 0.83 0.00 4.37 -1.04 -1.20 -0.19 114.28 115.98 1a3g n THR 293 Ca 0.21 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1a3g n THR 293 Cb 0.14 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1a3g n THR 293 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a3g n GLY 294 N 2.14 0.32 0.21 3.41 0.00 -0.77 -4.59 105.19 105.90 1a3g n GLY 294 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 3.52 0.00 -5.09 1.61 5.08 -1.59 -3.40 114.58 114.71 1a3g h GLU 295 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1a3g h GLU 295 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 1a3g h GLU 295 CO 0.00 0.31 -0.73 0.99 -1.00 0.00 0.00 179.01 178.58 1a3g s THR 296 N -3.88 3.32 -0.22 1.13 2.01 0.18 -4.96 115.64 113.22 1a3g s THR 296 Ca -0.01 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1a3g s THR 296 Cb 0.12 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1a3g s THR 296 CO 0.67 0.45 1.52 -0.70 -0.69 0.00 0.00 174.62 175.87 1a3g s GLU 297 N 1.14 3.89 -0.75 4.92 2.12 -1.26 -4.34 118.70 124.43 1a3g s GLU 297 Ca 0.02 1.61 -0.26 0.00 0.36 0.00 0.00 54.97 56.70 1a3g s GLU 297 Cb -0.14 -3.97 -0.22 0.00 0.26 0.00 0.00 34.13 30.05 1a3g s GLU 297 CO -0.01 -1.17 1.89 -3.47 -0.54 0.00 0.00 175.26 171.96 1a3g n ASP 298 N 7.99 1.93 0.27 -1.70 -0.08 -1.26 -4.72 116.55 118.98 1a3g n ASP 298 Ca 0.17 -2.59 0.17 0.00 -1.51 0.00 0.00 54.79 51.03 1a3g n ASP 298 Cb 0.45 -1.26 0.67 0.00 2.34 0.00 0.00 41.12 43.32 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 9.90 0.00 -0.00 -0.67 1.57 -2.04 -3.07 116.57 122.27 1a3g h LYS 299 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1a3g h LYS 299 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1a3g h LYS 299 CO 1.55 0.02 -0.91 0.91 -0.57 0.00 0.00 179.45 180.45 1a3g n TRP 300 N -3.12 0.00 -1.63 -1.35 8.01 -1.26 -4.99 117.44 113.10 1a3g n TRP 300 Ca 0.01 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1a3g n TRP 300 Cb 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.61 1a3g n TRP 300 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a3g n GLY 301 N 1.47 0.79 0.13 6.99 0.00 -1.16 -5.01 105.19 108.40 1a3g n GLY 301 Ca 0.04 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1a3g n GLY 301 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1a3g h TRP 302 N -0.00 0.00 -3.44 1.61 6.55 -1.94 -3.46 115.95 115.27 1a3g h TRP 302 Ca -0.00 0.00 -0.60 0.00 0.95 0.00 0.00 58.89 59.24 1a3g h TRP 302 Cb 1.00 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.18 1a3g h TRP 302 CO 0.00 0.16 -0.34 -0.51 -1.05 0.00 0.00 178.44 176.70 1a3g s LEU 303 N -5.69 4.17 -0.30 -4.49 1.43 -1.26 -1.09 118.68 111.45 1a3g s LEU 303 Ca 0.01 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1a3g s LEU 303 Cb 0.08 -2.33 0.09 0.00 0.03 0.00 0.00 46.19 44.06 1a3g s LEU 303 CO 0.77 0.03 0.06 -0.62 0.23 0.00 0.00 176.35 176.82 1a3g s ASP 304 N 0.82 4.12 0.62 2.29 2.15 -0.85 -4.91 116.67 120.91 1a3g s ASP 304 Ca 0.14 -1.64 -0.19 0.00 0.43 0.00 0.00 52.55 51.30 1a3g s ASP 304 Cb -0.14 -1.10 -0.03 0.00 -0.30 0.00 0.00 42.92 41.36 1a3g s ASP 304 CO 0.05 -0.37 1.16 0.00 -0.17 0.00 0.00 175.17 175.84 1a3g n GLN 305 N 4.68 1.07 0.09 4.34 6.02 -1.26 -1.97 117.38 130.35 1a3g n GLN 305 Ca -0.03 0.41 -0.22 0.00 -0.01 0.00 0.00 57.00 57.16 1a3g n GLN 305 Cb 0.43 -2.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.18 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 0.59 1.29 -3.51 5.09 2.07 -1.95 -3.38 116.25 116.45 1a3g h VAL 306 Ca -0.50 -2.48 -0.68 0.00 0.82 0.00 0.00 66.70 63.86 1a3g h VAL 306 Cb 1.35 2.71 -0.37 0.00 -1.52 0.00 0.00 31.29 33.46 1a3g h VAL 306 CO 0.52 0.75 -0.49 0.20 0.02 0.00 0.00 177.57 178.58 1a3g s ASN 307 N -7.43 5.01 0.00 0.57 0.01 -1.26 -4.93 114.94 106.90 1a3g s ASN 307 Ca -0.09 -2.66 0.00 0.00 -0.71 0.00 0.00 52.86 49.40 1a3g s ASN 307 Cb 0.06 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.93 1a3g s ASN 307 CO 0.93 -0.38 0.00 0.00 -1.51 0.00 0.00 177.10 176.15