#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agb n SER 2 N 0.00 0.58 -4.22 1.61 3.41 -1.01 -4.84 113.62 109.15 1agb n SER 2 Ca 0.00 -0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.23 1agb n SER 2 Cb 0.00 1.66 -0.10 0.00 -0.26 0.00 0.00 64.21 65.51 1agb n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1agb s HIS 3 N -3.23 1.10 -0.05 7.33 4.02 -1.07 -5.04 115.29 118.35 1agb s HIS 3 Ca -0.03 -0.93 -0.18 0.00 1.02 0.00 0.00 55.06 54.94 1agb s HIS 3 Cb 0.13 -0.62 0.04 0.00 -1.02 0.00 0.00 32.58 31.11 1agb s HIS 3 CO 0.82 -0.13 0.40 -1.54 1.02 0.00 0.00 174.74 175.31 1agb s SER 4 N -3.12 -0.33 -0.05 1.40 1.04 -1.26 -0.84 113.70 110.53 1agb s SER 4 Ca 0.18 0.38 0.05 0.00 0.48 0.00 0.00 55.95 57.03 1agb s SER 4 Cb 0.05 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1agb s SER 4 CO -0.00 -0.41 -0.20 -0.32 0.98 0.00 0.00 173.24 173.29 1agb s MET 5 N -0.94 2.51 -0.15 4.02 1.75 -0.69 -1.01 119.30 124.79 1agb s MET 5 Ca -0.10 -0.82 -0.18 0.00 -1.25 0.00 0.00 55.69 53.34 1agb s MET 5 Cb -0.04 -2.25 0.05 0.00 2.84 0.00 0.00 34.83 35.42 1agb s MET 5 CO 0.04 0.49 0.48 0.50 -0.65 0.00 0.00 175.02 175.88 1agb s ARG 6 N -0.41 0.63 -0.16 4.11 6.06 -0.70 -1.96 118.95 126.52 1agb s ARG 6 Ca 0.04 0.53 -0.02 0.00 -2.50 0.00 0.00 55.73 53.78 1agb s ARG 6 Cb -0.12 0.30 -0.02 0.00 0.06 0.00 0.00 34.95 35.17 1agb s ARG 6 CO 0.02 -0.11 -0.08 0.71 -2.50 0.00 0.00 175.30 173.34 1agb s TYR 7 N -0.08 2.91 -0.39 5.12 2.02 -0.09 -0.98 117.35 125.87 1agb s TYR 7 Ca -0.03 -0.59 -0.05 0.00 -0.37 0.00 0.00 57.07 56.03 1agb s TYR 7 Cb -0.03 -1.93 0.09 0.00 -0.40 0.00 0.00 41.96 39.68 1agb s TYR 7 CO 0.02 -0.22 0.18 -0.06 -1.57 0.00 0.00 175.55 173.90 1agb s PHE 8 N 0.57 3.43 -0.17 2.71 0.40 -0.63 -2.40 117.98 121.89 1agb s PHE 8 Ca -0.06 -1.97 -0.07 0.00 -0.60 0.00 0.00 56.93 54.24 1agb s PHE 8 Cb -0.15 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.45 1agb s PHE 8 CO 0.03 -0.89 0.06 -0.51 0.70 0.00 0.00 175.22 174.61 1agb s ASP 9 N 1.82 5.63 -0.07 1.36 1.11 0.09 -1.93 116.67 124.68 1agb s ASP 9 Ca 0.03 0.11 0.03 0.00 0.18 0.00 0.00 52.55 52.90 1agb s ASP 9 Cb -0.22 -1.92 0.01 0.00 1.07 0.00 0.00 42.92 41.86 1agb s ASP 9 CO -0.01 0.21 -0.15 -0.89 1.18 0.00 0.00 175.17 175.51 1agb s THR 10 N 0.14 1.33 -0.11 -1.27 2.01 0.23 -1.03 115.64 116.93 1agb s THR 10 Ca 0.05 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1agb s THR 10 Cb -0.12 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1agb s THR 10 CO 0.01 0.40 -0.16 0.00 -0.69 0.00 0.00 174.62 174.18 1agb s ALA 11 N 0.60 1.73 -0.09 7.40 0.00 -0.52 -1.48 121.76 129.40 1agb s ALA 11 Ca -0.15 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1agb s ALA 11 Cb -0.16 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1agb s ALA 11 CO 0.05 -0.06 -0.14 -1.64 0.00 0.00 0.00 175.76 173.97 1agb s MET 12 N 0.95 1.96 0.44 0.00 -1.94 -0.27 -0.61 119.30 119.82 1agb s MET 12 Ca -0.07 -0.48 -0.10 0.00 -1.71 0.00 0.00 55.69 53.33 1agb s MET 12 Cb -0.15 -1.66 -0.06 0.00 2.01 0.00 0.00 34.83 34.97 1agb s MET 12 CO -0.01 -0.03 0.81 -1.54 -0.01 0.00 0.00 175.02 174.24 1agb s SER 13 N 0.87 6.48 -0.49 3.03 1.04 -0.09 -1.08 113.70 123.47 1agb s SER 13 Ca -0.10 1.16 0.06 0.00 0.48 0.00 0.00 55.95 57.56 1agb s SER 13 Cb -0.15 -2.34 0.18 0.00 0.10 0.00 0.00 66.02 63.81 1agb s SER 13 CO 0.01 -0.47 0.63 0.00 0.98 0.00 0.00 173.24 174.39 1agb s ARG 14 N -4.07 1.03 0.12 4.02 1.70 -1.26 -4.01 118.95 116.49 1agb s ARG 14 Ca 0.52 -1.33 -0.33 0.00 -0.47 0.00 0.00 55.73 54.11 1agb s ARG 14 Cb -0.10 -0.39 -0.13 0.00 -0.57 0.00 0.00 34.95 33.75 1agb s ARG 14 CO 0.34 -1.34 1.68 -2.30 -1.08 0.00 0.00 175.30 172.60 1agb n PRO 15 N 2.92 2.32 -0.25 3.89 -0.02 -1.26 -1.52 135.00 141.07 1agb n PRO 15 Ca 0.21 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1agb n PRO 15 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1agb n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1agb n GLY 16 N 3.75 0.92 2.15 -1.23 0.00 -1.26 -4.91 105.19 104.61 1agb n GLY 16 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1agb n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agb n ARG 17 N -2.00 2.11 0.00 1.61 1.74 -0.58 -5.12 116.66 114.43 1agb n ARG 17 Ca 0.00 -3.51 0.00 0.00 -0.77 0.00 0.00 57.85 53.57 1agb n ARG 17 Cb 0.00 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1agb n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1agb n GLY 18 N -0.54 -3.01 3.77 -0.13 0.00 -1.25 -4.93 105.19 99.10 1agb n GLY 18 Ca 0.21 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1agb n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1agb s GLU 19 N -0.65 3.07 0.24 1.61 0.41 -1.26 -4.54 118.70 117.57 1agb s GLU 19 Ca 0.00 1.59 -0.31 0.00 -0.41 0.00 0.00 54.97 55.84 1agb s GLU 19 Cb 0.00 -1.97 -0.13 0.00 -1.78 0.00 0.00 34.13 30.25 1agb s GLU 19 CO 0.00 -1.08 1.43 -2.30 -0.49 0.00 0.00 175.26 172.82 1agb n PRO 20 N -1.75 2.09 -2.52 0.39 -0.02 -1.26 -4.80 135.00 127.13 1agb n PRO 20 Ca 0.12 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 1agb n PRO 20 Cb 0.51 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1agb n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1agb s ARG 21 N -0.38 4.56 -0.15 -0.52 3.52 -0.24 -4.80 118.95 120.94 1agb s ARG 21 Ca 0.68 1.69 0.01 0.00 -0.13 0.00 0.00 55.73 57.98 1agb s ARG 21 Cb -0.64 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1agb s ARG 21 CO 0.49 -0.01 -0.19 0.12 -0.81 0.00 0.00 175.30 174.91 1agb s PHE 22 N 0.21 2.47 -0.02 5.12 5.36 -1.26 -1.11 117.98 128.74 1agb s PHE 22 Ca 0.52 -1.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.18 1agb s PHE 22 Cb -0.28 -1.73 -0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1agb s PHE 22 CO 0.33 -0.66 -0.11 -1.50 -1.46 0.00 0.00 175.22 171.81 1agb s ILE 23 N 1.12 0.94 -0.10 3.12 2.07 -0.55 -0.76 121.20 127.04 1agb s ILE 23 Ca -0.01 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.76 1agb s ILE 23 Cb -0.14 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.66 1agb s ILE 23 CO -0.07 0.28 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.65 1agb s SER 24 N 0.02 1.97 -0.11 4.50 0.15 0.10 -0.60 113.70 119.73 1agb s SER 24 Ca -0.01 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1agb s SER 24 Cb -0.08 -0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1agb s SER 24 CO 0.00 -0.16 -0.11 0.68 1.20 0.00 0.00 173.24 174.86 1agb s VAL 25 N 1.83 3.30 -0.05 4.45 -7.23 -0.81 -1.36 120.40 120.52 1agb s VAL 25 Ca 0.05 -0.59 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 1agb s VAL 25 Cb -0.13 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1agb s VAL 25 CO -0.07 0.55 0.05 -0.83 -0.31 0.00 0.00 175.10 174.49 1agb s GLY 26 N -0.06 1.97 0.07 2.32 0.00 -0.36 -1.60 107.32 109.65 1agb s GLY 26 Ca -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.93 1agb s GLY 26 CO 0.03 -0.63 -0.10 -0.19 0.00 0.00 0.00 173.10 172.21 1agb s TYR 27 N -1.05 0.97 -0.24 1.90 1.51 -0.15 -0.84 117.35 119.45 1agb s TYR 27 Ca 0.18 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1agb s TYR 27 Cb -0.12 -0.55 0.06 0.00 -0.11 0.00 0.00 41.96 41.24 1agb s TYR 27 CO 0.08 -0.01 -0.07 0.08 -1.11 0.00 0.00 175.55 174.51 1agb s VAL 28 N -1.76 1.71 0.00 0.71 1.01 -0.46 -1.72 120.40 119.89 1agb s VAL 28 Ca -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1agb s VAL 28 Cb -0.07 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1agb s VAL 28 CO 0.01 -0.08 0.00 0.47 0.00 0.00 0.00 175.10 175.50 1agb n ASP 29 N 4.60 0.00 -2.08 3.32 8.00 -0.18 -1.47 116.55 128.74 1agb n ASP 29 Ca -0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.25 1agb n ASP 29 Cb 0.43 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.79 1agb n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1agb n ASP 30 N 5.25 4.44 -4.15 -2.24 8.00 -1.26 -4.87 116.55 121.72 1agb n ASP 30 Ca 0.00 -3.33 -0.34 0.00 0.71 0.00 0.00 54.79 51.83 1agb n ASP 30 Cb 0.00 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.18 1agb n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1agb s THR 31 N -3.05 2.69 0.27 -3.53 2.01 -0.54 -5.04 115.64 108.46 1agb s THR 31 Ca 0.55 -1.30 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1agb s THR 31 Cb 0.45 -2.47 -0.09 0.00 0.01 0.00 0.00 72.50 70.39 1agb s THR 31 CO 0.13 0.05 1.11 -1.58 -0.69 0.00 0.00 174.62 173.64 1agb s GLN 32 N 1.24 4.62 0.00 4.92 0.74 -1.26 -1.36 119.66 128.56 1agb s GLN 32 Ca -0.04 1.82 0.00 0.00 0.05 0.00 0.00 55.36 57.20 1agb s GLN 32 Cb -0.18 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1agb s GLN 32 CO -0.04 0.18 0.00 1.97 -0.55 0.00 0.00 175.29 176.85 1agb n PHE 33 N 1.27 0.00 -3.81 1.67 -1.74 -0.02 -4.09 117.46 110.75 1agb n PHE 33 Ca -0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.78 1agb n PHE 33 Cb 0.45 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.37 1agb n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1agb s VAL 34 N -1.05 0.10 -0.03 1.97 -7.23 -1.20 -1.47 120.40 111.50 1agb s VAL 34 Ca 0.00 -0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 1agb s VAL 34 Cb 0.00 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.94 1agb s VAL 34 CO 0.00 -0.47 0.21 0.00 -0.31 0.00 0.00 175.10 174.53 1agb s ARG 35 N -2.87 0.48 -0.07 4.82 1.70 -1.05 -1.22 118.95 120.73 1agb s ARG 35 Ca -0.03 -0.14 -0.03 0.00 -0.47 0.00 0.00 55.73 55.06 1agb s ARG 35 Cb 0.00 0.21 0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1agb s ARG 35 CO -0.05 -0.11 0.16 0.12 -1.08 0.00 0.00 175.30 174.33 1agb s PHE 36 N -0.96 -0.18 -0.04 5.89 2.19 -0.46 -1.83 117.98 122.58 1agb s PHE 36 Ca -0.10 0.52 -0.00 0.00 0.33 0.00 0.00 56.93 57.67 1agb s PHE 36 Cb -0.05 -0.08 0.03 0.00 -1.31 0.00 0.00 43.02 41.60 1agb s PHE 36 CO 0.02 -0.18 0.01 0.34 1.83 0.00 0.00 175.22 177.24 1agb s ASP 37 N 1.24 0.91 0.53 6.13 -1.08 -1.26 -0.72 116.67 122.42 1agb s ASP 37 Ca -0.09 -0.03 0.31 0.00 -0.52 0.00 0.00 52.55 52.23 1agb s ASP 37 Cb -0.11 -0.28 1.25 0.00 -1.46 0.00 0.00 42.92 42.31 1agb s ASP 37 CO -0.06 -0.15 1.94 0.77 0.52 0.00 0.00 175.17 178.19 1agb h SER 38 N 7.76 0.00 -0.05 -0.34 4.64 -1.35 -2.87 113.55 121.34 1agb h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1agb h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1agb h SER 38 CO 0.36 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 176.83 1agb n ASP 39 N -3.16 0.76 -4.80 4.97 9.92 -1.26 -4.78 116.55 118.21 1agb n ASP 39 Ca 0.01 -1.44 -0.34 0.00 -0.53 0.00 0.00 54.79 52.48 1agb n ASP 39 Cb 0.34 -0.03 -0.05 0.00 -0.64 0.00 0.00 41.12 40.73 1agb n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1agb s ALA 40 N -1.94 3.00 0.30 2.24 0.00 -1.08 -4.94 121.76 119.34 1agb s ALA 40 Ca 0.35 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1agb s ALA 40 Cb 0.17 -3.22 0.81 0.00 0.00 0.00 0.00 23.12 20.88 1agb s ALA 40 CO 0.28 -0.11 1.67 0.00 0.00 0.00 0.00 175.76 177.60 1agb h ALA 41 N 1.99 1.50 -2.69 0.00 0.00 -1.90 -3.20 119.26 114.96 1agb h ALA 41 Ca -0.49 0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 1agb h ALA 41 Cb 1.20 0.21 -0.39 0.00 0.00 0.00 0.00 17.79 18.81 1agb h ALA 41 CO 0.61 -0.43 -0.82 -1.54 0.00 0.00 0.00 179.25 177.06 1agb s SER 42 N -5.09 3.13 -0.00 0.00 1.04 -1.26 -5.11 113.70 106.40 1agb s SER 42 Ca -0.11 -2.30 -0.32 0.00 0.48 0.00 0.00 55.95 53.69 1agb s SER 42 Cb 0.27 -0.56 -0.11 0.00 0.10 0.00 0.00 66.02 65.72 1agb s SER 42 CO 0.78 -0.30 1.89 -0.81 0.98 0.00 0.00 173.24 175.78 1agb n PRO 43 N 3.91 2.50 -3.67 4.02 -0.04 -1.21 -4.97 135.00 135.53 1agb n PRO 43 Ca 0.11 0.91 -0.11 0.00 -0.04 0.00 0.00 63.50 64.37 1agb n PRO 43 Cb 0.36 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 1agb n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1agb s ARG 44 N 3.84 0.97 -0.06 0.54 1.70 -1.26 -5.05 118.95 119.64 1agb s ARG 44 Ca 0.89 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 55.29 1agb s ARG 44 Cb -0.58 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.20 1agb s ARG 44 CO 0.46 -0.35 1.11 -2.00 -1.08 0.00 0.00 175.30 173.44 1agb s GLU 45 N -3.14 4.40 0.02 3.89 2.56 -1.26 -4.56 118.70 120.62 1agb s GLU 45 Ca -0.01 1.56 0.04 0.00 0.00 0.00 0.00 54.97 56.56 1agb s GLU 45 Cb 0.01 -3.52 -0.02 0.00 2.00 0.00 0.00 34.13 32.60 1agb s GLU 45 CO -0.07 -0.35 -0.13 -1.83 -0.56 0.00 0.00 175.26 172.32 1agb s GLU 46 N 1.93 0.91 0.55 4.30 -1.05 -0.76 -4.91 118.70 119.67 1agb s GLU 46 Ca 0.53 -0.62 -0.22 0.00 -0.15 0.00 0.00 54.97 54.51 1agb s GLU 46 Cb -0.22 -0.89 -0.05 0.00 -0.44 0.00 0.00 34.13 32.53 1agb s GLU 46 CO 0.22 0.23 1.37 -1.25 0.95 0.00 0.00 175.26 176.78 1agb s PRO 47 N -0.81 3.13 0.00 -4.83 0.04 -1.26 -2.54 135.00 128.72 1agb s PRO 47 Ca 0.02 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1agb s PRO 47 Cb -0.07 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1agb s PRO 47 CO 0.01 -1.21 0.47 0.54 0.04 0.00 0.00 177.00 176.85 1agb n ARG 48 N -1.03 0.21 -3.79 4.56 5.12 -0.54 -4.87 116.66 116.33 1agb n ARG 48 Ca 0.10 -0.51 -0.13 0.00 -1.93 0.00 0.00 57.85 55.38 1agb n ARG 48 Cb 0.45 -0.54 -0.13 0.00 -1.16 0.00 0.00 32.46 31.07 1agb n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1agb s ALA 49 N -0.08 -0.36 0.32 7.54 0.00 -1.24 -4.61 121.76 123.33 1agb s ALA 49 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1agb s ALA 49 Cb 0.00 -0.36 0.57 0.00 0.00 0.00 0.00 23.12 23.33 1agb s ALA 49 CO 0.00 -0.11 1.95 -1.35 0.00 0.00 0.00 175.76 176.24 1agb h PRO 50 N 6.48 0.94 0.00 0.00 0.11 -1.94 -2.78 132.00 134.81 1agb h PRO 50 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1agb h PRO 50 Cb 1.18 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1agb h PRO 50 CO 0.41 0.62 0.00 0.11 -0.21 0.00 0.00 178.00 178.93 1agb h TRP 51 N 0.97 0.00 0.00 0.65 5.08 -1.98 -2.41 115.95 118.26 1agb h TRP 51 Ca 0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1agb h TRP 51 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1agb h TRP 51 CO -0.00 0.00 -0.70 1.51 -1.28 0.00 0.00 178.44 177.97 1agb n ILE 52 N -2.45 0.27 0.21 0.12 0.13 -1.05 -4.23 119.36 112.36 1agb n ILE 52 Ca 0.01 -0.23 0.06 0.00 -1.10 0.00 0.00 62.75 61.48 1agb n ILE 52 Cb 0.19 -0.01 0.54 0.00 -0.84 0.00 0.00 39.64 39.52 1agb n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1agb h GLU 53 N 0.00 0.07 0.00 9.51 5.08 -1.52 -2.22 114.58 125.50 1agb h GLU 53 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1agb h GLU 53 Cb 0.71 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1agb h GLU 53 CO 0.00 0.15 -0.08 -0.56 -1.00 0.00 0.00 179.01 177.52 1agb h GLN 54 N 0.07 0.00 -6.65 2.33 3.07 -1.75 -3.44 115.11 108.74 1agb h GLN 54 Ca 0.02 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.18 1agb h GLN 54 Cb 0.17 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.85 1agb h GLN 54 CO 0.01 0.08 0.34 -1.91 0.09 0.00 0.00 178.83 177.44 1agb n GLU 55 N -3.30 1.77 -1.02 0.06 4.07 -0.84 -4.97 120.64 116.42 1agb n GLU 55 Ca -0.01 0.62 -0.31 0.00 -0.06 0.00 0.00 57.16 57.41 1agb n GLU 55 Cb 0.28 -2.14 0.26 0.00 -0.06 0.00 0.00 31.44 29.78 1agb n GLU 55 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1agb s GLY 56 N -0.45 1.58 0.13 8.31 0.00 -1.26 -4.90 107.32 110.73 1agb s GLY 56 Ca 0.58 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 44.06 1agb s GLY 56 CO 0.61 -0.12 1.67 -2.55 0.00 0.00 0.00 173.10 172.70 1agb h PRO 57 N -2.80 0.61 -0.63 2.90 0.11 -1.98 -2.47 132.00 127.74 1agb h PRO 57 Ca -0.42 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 65.58 1agb h PRO 57 Cb 1.29 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1agb h PRO 57 CO 0.28 0.59 0.42 1.05 -0.21 0.00 0.00 178.00 180.12 1agb h GLU 58 N 0.51 0.80 -0.60 1.05 4.11 -1.99 -0.91 114.58 117.56 1agb h GLU 58 Ca 0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.47 1agb h GLU 58 Cb 0.21 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1agb h GLU 58 CO -0.01 0.53 0.19 -0.92 0.07 0.00 0.00 179.01 178.87 1agb h TYR 59 N 0.82 0.96 -0.21 2.06 5.03 -1.80 -0.96 116.97 122.86 1agb h TYR 59 Ca 0.24 -0.09 -0.19 0.00 2.58 0.00 0.00 58.73 61.26 1agb h TYR 59 Cb -0.05 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 37.96 1agb h TYR 59 CO -0.00 0.79 -0.63 -1.49 -1.32 0.00 0.00 178.16 175.51 1agb h TRP 60 N 0.84 0.97 -0.24 -3.82 4.06 -1.22 -2.53 115.95 114.00 1agb h TRP 60 Ca 0.19 -0.38 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 1agb h TRP 60 Cb 0.28 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1agb h TRP 60 CO 0.02 1.18 -0.06 -0.44 -3.56 0.00 0.00 178.44 175.58 1agb h ASP 61 N 0.55 0.48 -0.29 -3.49 3.32 -1.07 -1.67 116.42 114.25 1agb h ASP 61 Ca -0.01 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1agb h ASP 61 Cb 1.23 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1agb h ASP 61 CO 0.13 0.74 0.15 -0.09 -1.72 0.00 0.00 179.24 178.44 1agb h ARG 62 N 0.21 0.42 0.00 3.56 2.43 -1.22 -1.92 114.38 117.86 1agb h ARG 62 Ca 0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1agb h ARG 62 Cb 0.53 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1agb h ARG 62 CO 0.03 0.39 -0.27 -0.91 -1.51 0.00 0.00 179.97 177.70 1agb h ASN 63 N 0.34 0.00 -0.06 -3.80 2.35 -1.43 -1.23 115.58 111.75 1agb h ASN 63 Ca 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1agb h ASN 63 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1agb h ASN 63 CO -0.01 0.27 -0.03 0.74 -1.65 0.00 0.00 177.43 176.75 1agb h THR 64 N 0.00 1.31 -0.76 2.81 2.02 -1.00 -2.21 112.91 115.08 1agb h THR 64 Ca -0.00 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1agb h THR 64 Cb 0.70 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 1agb h THR 64 CO 0.03 0.27 0.44 1.56 0.37 0.00 0.00 175.52 178.20 1agb h GLN 65 N -0.24 1.04 -0.69 6.66 1.08 -0.98 -0.95 115.11 121.03 1agb h GLN 65 Ca 0.01 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1agb h GLN 65 Cb 0.45 -0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 27.61 1agb h GLN 65 CO 0.01 0.76 0.39 0.82 -0.95 0.00 0.00 178.83 179.86 1agb h ILE 66 N 1.04 0.98 0.00 2.54 2.04 -1.19 -1.85 117.51 121.07 1agb h ILE 66 Ca 0.27 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1agb h ILE 66 Cb -0.00 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1agb h ILE 66 CO -0.05 0.13 -0.24 -0.26 0.00 0.00 0.00 178.15 177.73 1agb h PHE 67 N 0.73 0.00 -0.22 1.37 0.04 -0.81 -1.65 116.94 116.39 1agb h PHE 67 Ca 0.31 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.99 1agb h PHE 67 Cb 0.18 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1agb h PHE 67 CO -0.07 0.24 -0.20 0.87 -0.60 0.00 0.00 178.31 178.55 1agb h LYS 68 N 0.00 0.51 -0.52 1.51 1.57 -0.65 -1.75 116.57 117.24 1agb h LYS 68 Ca -0.00 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 1agb h LYS 68 Cb 1.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1agb h LYS 68 CO 0.03 0.84 -0.12 1.79 -0.57 0.00 0.00 179.45 181.42 1agb h THR 69 N 0.20 1.27 -0.08 -0.16 1.35 -1.34 -2.20 112.91 111.95 1agb h THR 69 Ca 0.04 -1.28 0.02 0.00 -0.55 0.00 0.00 66.41 64.64 1agb h THR 69 Cb 0.74 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1agb h THR 69 CO 0.05 0.45 0.06 0.78 -0.25 0.00 0.00 175.52 176.61 1agb h ASN 70 N 0.88 0.01 -0.31 5.36 2.35 -1.23 -0.53 115.58 122.11 1agb h ASN 70 Ca 0.13 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1agb h ASN 70 Cb 0.69 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1agb h ASN 70 CO 0.05 0.01 0.10 0.74 -1.65 0.00 0.00 177.43 176.67 1agb h THR 71 N 0.01 1.20 0.04 2.81 2.02 -0.67 -1.70 112.91 116.62 1agb h THR 71 Ca 0.04 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1agb h THR 71 Cb 0.15 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1agb h THR 71 CO -0.00 0.22 -0.02 1.56 0.37 0.00 0.00 175.52 177.65 1agb h GLN 72 N 0.33 -0.05 -0.63 6.66 1.08 -1.04 -2.33 115.11 119.13 1agb h GLN 72 Ca 0.10 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.41 1agb h GLN 72 Cb 0.25 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.60 1agb h GLN 72 CO -0.00 0.12 0.20 1.15 -0.95 0.00 0.00 178.83 179.34 1agb h THR 73 N -0.22 0.69 0.00 -0.54 2.02 -1.15 -0.47 112.91 113.24 1agb h THR 73 Ca -0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1agb h THR 73 Cb 0.20 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1agb h THR 73 CO 0.01 0.06 -0.18 0.44 0.37 0.00 0.00 175.52 176.22 1agb h ASP 74 N 0.35 0.00 -0.09 4.18 5.19 -1.26 -1.24 116.42 123.55 1agb h ASP 74 Ca 0.33 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.62 1agb h ASP 74 Cb 0.47 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.99 1agb h ASP 74 CO -0.37 0.18 -0.44 0.03 -3.12 0.00 0.00 179.24 175.52 1agb h ARG 75 N 0.00 0.45 -0.59 3.56 3.08 -0.65 -1.65 114.38 118.58 1agb h ARG 75 Ca -0.00 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 1agb h ARG 75 Cb 0.87 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1agb h ARG 75 CO 0.02 1.01 0.15 0.93 -1.07 0.00 0.00 179.97 181.01 1agb h GLU 76 N 0.01 0.91 -0.38 0.04 5.08 -1.02 -2.05 114.58 117.17 1agb h GLU 76 Ca -0.03 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1agb h GLU 76 Cb 1.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1agb h GLU 76 CO 0.09 0.81 -0.02 0.77 -1.00 0.00 0.00 179.01 179.66 1agb h SER 77 N 0.88 0.58 -0.18 1.42 0.02 -1.19 -1.18 113.55 113.90 1agb h SER 77 Ca 0.19 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1agb h SER 77 Cb 0.30 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1agb h SER 77 CO -0.00 0.67 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.99 1agb h LEU 78 N 0.58 0.68 0.25 5.07 3.38 -0.62 -0.92 115.31 123.73 1agb h LEU 78 Ca 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1agb h LEU 78 Cb 0.40 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1agb h LEU 78 CO 0.02 0.94 -0.12 0.03 0.09 0.00 0.00 178.44 179.40 1agb h ARG 79 N 0.57 -0.32 -0.47 1.13 3.08 -1.01 -2.44 114.38 114.92 1agb h ARG 79 Ca 0.07 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.21 1agb h ARG 79 Cb 0.79 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 1agb h ARG 79 CO 0.06 -0.11 0.16 -0.91 -1.07 0.00 0.00 179.97 178.10 1agb h ASN 80 N -0.47 0.15 0.04 7.04 2.35 -1.15 -1.96 115.58 121.59 1agb h ASN 80 Ca -0.03 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1agb h ASN 80 Cb 0.35 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1agb h ASN 80 CO 0.06 0.12 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.82 1agb h LEU 81 N 0.33 0.08 -0.64 1.61 4.07 -1.09 -0.54 115.31 119.12 1agb h LEU 81 Ca 0.22 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.12 1agb h LEU 81 Cb 0.24 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1agb h LEU 81 CO -0.24 0.16 0.17 -0.09 -1.08 0.00 0.00 178.44 177.36 1agb h ARG 82 N 0.08 1.02 0.21 1.13 2.43 -0.86 -2.50 114.38 115.90 1agb h ARG 82 Ca 0.02 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1agb h ARG 82 Cb 0.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1agb h ARG 82 CO 0.01 0.91 -0.10 0.78 -1.51 0.00 0.00 179.97 180.06 1agb h GLY 83 N 0.94 -0.30 0.29 2.80 0.00 -0.84 -0.18 103.07 105.79 1agb h GLY 83 Ca 0.20 0.11 0.24 0.00 0.00 0.00 0.00 47.33 47.88 1agb h GLY 83 CO -0.00 -0.11 0.62 -0.97 0.00 0.00 0.00 176.54 176.08 1agb h TYR 84 N -0.46 0.00 -0.32 5.60 0.05 -0.97 -0.17 116.97 120.70 1agb h TYR 84 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1agb h TYR 84 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1agb h TYR 84 CO -0.01 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.76 1agb n TYR 85 N -4.16 0.42 -3.66 4.88 4.01 -0.96 -4.75 117.16 112.94 1agb n TYR 85 Ca 0.17 -0.39 -0.26 0.00 -0.16 0.00 0.00 57.90 57.25 1agb n TYR 85 Cb 0.92 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.98 1agb n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1agb n ASN 86 N 0.68 -5.62 -4.89 7.72 3.02 -0.08 -4.97 115.26 111.13 1agb n ASN 86 Ca 0.12 -0.60 -0.30 0.00 -0.03 0.00 0.00 54.58 53.77 1agb n ASN 86 Cb 0.42 -4.46 -0.04 0.00 -0.61 0.00 0.00 39.78 35.09 1agb n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1agb s GLN 87 N -6.37 3.72 0.66 3.52 -0.21 -0.16 -5.04 119.66 115.78 1agb s GLN 87 Ca 0.58 0.19 -0.11 0.00 0.02 0.00 0.00 55.36 56.04 1agb s GLN 87 Cb -0.28 -2.59 -0.01 0.00 1.00 0.00 0.00 33.01 31.13 1agb s GLN 87 CO 0.72 0.19 1.05 -1.54 -2.12 0.00 0.00 175.29 173.59 1agb s SER 88 N -2.93 5.73 -0.00 5.90 1.04 -1.26 -4.76 113.70 117.41 1agb s SER 88 Ca 0.47 1.56 0.04 0.00 0.48 0.00 0.00 55.95 58.49 1agb s SER 88 Cb -0.11 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.64 1agb s SER 88 CO 0.28 -1.21 1.05 -1.84 0.98 0.00 0.00 173.24 172.50 1agb n GLU 89 N -2.91 1.35 0.00 4.02 0.28 -1.26 -3.67 120.64 118.46 1agb n GLU 89 Ca 0.07 -0.48 -0.13 0.00 -0.16 0.00 0.00 57.16 56.46 1agb n GLU 89 Cb 0.54 -1.16 -0.14 0.00 1.43 0.00 0.00 31.44 32.10 1agb n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1agb h ALA 90 N 3.13 0.59 -2.35 -1.84 0.00 -1.98 -3.45 119.26 113.36 1agb h ALA 90 Ca 0.00 -1.37 -0.51 0.00 0.00 0.00 0.00 54.91 53.03 1agb h ALA 90 Cb 0.24 0.50 0.08 0.00 0.00 0.00 0.00 17.79 18.61 1agb h ALA 90 CO 0.01 1.43 0.39 0.20 0.00 0.00 0.00 179.25 181.29 1agb s GLY 91 N -5.21 1.66 -0.15 0.00 0.00 -1.24 -4.65 107.32 97.73 1agb s GLY 91 Ca -0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 1agb s GLY 91 CO 0.81 0.28 0.14 -0.45 0.00 0.00 0.00 173.10 173.88 1agb s SER 92 N -4.00 6.33 0.05 1.64 0.15 -1.26 -4.63 113.70 111.98 1agb s SER 92 Ca 0.57 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.61 1agb s SER 92 Cb -0.12 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1agb s SER 92 CO 0.54 0.33 -0.06 -1.00 1.20 0.00 0.00 173.24 174.25 1agb s HIS 93 N -0.53 0.62 -0.10 3.44 3.76 -1.26 -4.95 115.29 116.27 1agb s HIS 93 Ca 0.13 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.35 1agb s HIS 93 Cb -0.12 -0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 1agb s HIS 93 CO 0.02 -0.17 -0.20 0.99 -0.85 0.00 0.00 174.74 174.52 1agb s THR 94 N -2.42 2.39 -0.27 1.30 2.01 -1.26 -0.91 115.64 116.48 1agb s THR 94 Ca -0.03 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1agb s THR 94 Cb -0.03 -1.94 0.06 0.00 0.01 0.00 0.00 72.50 70.60 1agb s THR 94 CO -0.03 0.55 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.14 1agb s LEU 95 N 0.26 3.55 0.09 4.42 0.20 0.22 -0.72 118.68 126.70 1agb s LEU 95 Ca -0.14 -1.41 0.03 0.00 0.69 0.00 0.00 54.13 53.30 1agb s LEU 95 Cb -0.17 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1agb s LEU 95 CO 0.07 -0.21 0.11 -1.10 -0.29 0.00 0.00 176.35 174.93 1agb s GLN 96 N 1.11 2.97 -0.09 1.98 -0.21 -0.33 -1.44 119.66 123.65 1agb s GLN 96 Ca -0.08 -0.67 -0.08 0.00 0.02 0.00 0.00 55.36 54.54 1agb s GLN 96 Cb -0.20 -2.77 0.02 0.00 1.00 0.00 0.00 33.01 31.07 1agb s GLN 96 CO -0.05 0.56 0.24 -1.54 -2.12 0.00 0.00 175.29 172.39 1agb s SER 97 N -2.50 -0.25 -0.07 5.90 1.04 -0.20 -1.82 113.70 115.79 1agb s SER 97 Ca 0.30 0.48 0.02 0.00 0.48 0.00 0.00 55.95 57.24 1agb s SER 97 Cb -0.12 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1agb s SER 97 CO 0.23 -0.09 -0.13 -0.04 0.98 0.00 0.00 173.24 174.19 1agb s MET 98 N 0.11 1.80 -0.02 4.02 -1.94 -1.00 -0.73 119.30 121.53 1agb s MET 98 Ca -0.00 -0.44 -0.15 0.00 -1.71 0.00 0.00 55.69 53.39 1agb s MET 98 Cb -0.02 -1.49 0.02 0.00 2.01 0.00 0.00 34.83 35.36 1agb s MET 98 CO 0.00 0.02 0.32 1.52 -0.01 0.00 0.00 175.02 176.88 1agb s TYR 99 N 0.69 -0.20 -4.21 -0.03 1.13 -1.01 -2.02 117.35 111.70 1agb s TYR 99 Ca -0.14 0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 1agb s TYR 99 Cb -0.16 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1agb s TYR 99 CO 0.04 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 1agb n GLY 100 N 1.38 -1.04 3.10 5.49 0.00 -0.92 -0.91 105.19 112.28 1agb n GLY 100 Ca -0.21 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1agb n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agb s ASP 102 N -2.22 3.76 0.12 0.00 1.01 0.02 -1.71 116.67 117.64 1agb s ASP 102 Ca -0.01 -0.30 0.07 0.00 0.71 0.00 0.00 52.55 53.02 1agb s ASP 102 Cb -0.03 -0.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 1agb s ASP 102 CO -0.03 0.30 -0.17 0.68 0.21 0.00 0.00 175.17 176.17 1agb s VAL 103 N -0.47 1.49 0.86 -1.27 -7.23 -0.02 -0.43 120.40 113.33 1agb s VAL 103 Ca 0.06 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1agb s VAL 103 Cb -0.12 -1.52 0.14 0.00 0.56 0.00 0.00 36.38 35.44 1agb s VAL 103 CO 0.02 -0.27 1.21 -0.83 -0.31 0.00 0.00 175.10 174.91 1agb s GLY 104 N -2.23 1.71 0.47 2.32 0.00 -0.18 -2.42 107.32 106.99 1agb s GLY 104 Ca 0.08 -1.03 0.26 0.00 0.00 0.00 0.00 44.72 44.02 1agb s GLY 104 CO 0.04 -0.42 1.83 -2.55 0.00 0.00 0.00 173.10 172.01 1agb h PRO 105 N -1.23 0.19 -0.01 2.90 0.11 -1.90 0.34 132.00 132.40 1agb h PRO 105 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1agb h PRO 105 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1agb h PRO 105 CO 0.50 0.13 -0.03 -0.40 -0.21 0.00 0.00 178.00 177.99 1agb n ASP 106 N -4.40 0.69 0.00 -2.05 5.75 -1.26 -4.93 116.55 110.35 1agb n ASP 106 Ca 0.22 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 1agb n ASP 106 Cb 0.93 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1agb n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1agb n GLY 107 N 1.14 0.67 3.86 6.12 0.00 0.12 -5.05 105.19 112.05 1agb n GLY 107 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1agb n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1agb s ARG 108 N -0.29 3.84 -0.09 1.61 0.52 -1.26 -4.75 118.95 118.52 1agb s ARG 108 Ca 0.00 0.28 -0.34 0.00 -0.52 0.00 0.00 55.73 55.15 1agb s ARG 108 Cb 0.00 -2.95 -0.12 0.00 0.52 0.00 0.00 34.95 32.41 1agb s ARG 108 CO 0.00 0.51 1.90 -0.11 0.02 0.00 0.00 175.30 177.62 1agb n LEU 109 N 0.78 3.45 -0.05 2.53 7.94 -1.26 -1.01 117.00 129.38 1agb n LEU 109 Ca -0.06 0.95 -0.22 0.00 -1.11 0.00 0.00 56.01 55.57 1agb n LEU 109 Cb 0.52 -1.38 -0.13 0.00 0.53 0.00 0.00 43.42 42.97 1agb n LEU 109 CO 0.43 -0.06 -0.89 0.18 -1.11 0.00 0.00 177.39 175.94 1agb n LEU 110 N 6.81 2.47 -3.63 -1.96 4.77 0.43 -4.88 117.00 121.02 1agb n LEU 110 Ca 0.23 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1agb n LEU 110 Cb 0.30 -1.03 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 1agb n LEU 110 CO 0.73 0.72 1.04 0.00 -1.33 0.00 0.00 177.39 178.55 1agb s ARG 111 N -2.51 0.22 0.29 3.23 1.70 -1.20 -5.00 118.95 115.69 1agb s ARG 111 Ca -0.27 0.09 0.06 0.00 -0.47 0.00 0.00 55.73 55.13 1agb s ARG 111 Cb 0.08 0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1agb s ARG 111 CO 0.68 -0.06 0.38 0.20 -1.08 0.00 0.00 175.30 175.42 1agb s GLY 112 N -0.83 1.45 -0.04 3.88 0.00 -1.26 -0.80 107.32 109.71 1agb s GLY 112 Ca 0.06 -1.39 -0.06 0.00 0.00 0.00 0.00 44.72 43.33 1agb s GLY 112 CO -0.06 -1.36 0.15 0.30 0.00 0.00 0.00 173.10 172.13 1agb s HIS 113 N -2.11 -0.12 -0.36 1.90 3.76 -0.26 -4.84 115.29 113.26 1agb s HIS 113 Ca 0.39 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.60 1agb s HIS 113 Cb -0.09 0.03 0.19 0.00 1.11 0.00 0.00 32.58 33.82 1agb s HIS 113 CO 0.29 -0.13 0.77 1.21 -0.85 0.00 0.00 174.74 176.03 1agb s ASN 114 N -0.28 -1.14 0.19 1.40 2.47 -1.25 -2.16 114.94 114.17 1agb s ASN 114 Ca -0.04 -0.38 0.03 0.00 0.42 0.00 0.00 52.86 52.90 1agb s ASN 114 Cb -0.03 1.52 -0.05 0.00 -1.45 0.00 0.00 41.25 41.24 1agb s ASN 114 CO 0.01 -0.15 -0.03 0.00 -3.72 0.00 0.00 177.10 173.20 1agb s GLN 115 N 2.15 1.20 0.08 0.43 -2.07 -0.86 -0.57 119.66 120.02 1agb s GLN 115 Ca 0.16 -1.57 0.03 0.00 -1.82 0.00 0.00 55.36 52.15 1agb s GLN 115 Cb -0.03 -0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 31.32 1agb s GLN 115 CO -0.14 -0.05 -0.09 0.71 -1.32 0.00 0.00 175.29 174.41 1agb s TYR 116 N -3.45 0.90 -0.01 9.60 1.51 -0.20 -2.38 117.35 123.33 1agb s TYR 116 Ca 0.24 -0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1agb s TYR 116 Cb 0.05 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.40 1agb s TYR 116 CO 0.05 -0.06 0.02 0.00 -1.11 0.00 0.00 175.55 174.44 1agb s ALA 117 N -2.43 0.02 -0.20 3.71 0.00 -0.76 -1.22 121.76 120.88 1agb s ALA 117 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1agb s ALA 117 Cb -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1agb s ALA 117 CO -0.01 -0.05 -0.13 -0.47 0.00 0.00 0.00 175.76 175.10 1agb s TYR 118 N 0.48 2.86 -1.48 0.00 5.04 -0.18 -1.19 117.35 122.89 1agb s TYR 118 Ca -0.04 -1.33 -0.11 0.00 -2.44 0.00 0.00 57.07 53.15 1agb s TYR 118 Cb -0.06 -2.00 0.06 0.00 0.35 0.00 0.00 41.96 40.31 1agb s TYR 118 CO -0.01 -0.69 0.91 -0.25 -1.34 0.00 0.00 175.55 174.16 1agb n ASP 119 N 4.70 -5.13 0.00 4.32 8.00 0.10 -2.11 116.55 126.43 1agb n ASP 119 Ca -0.20 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1agb n ASP 119 Cb 0.50 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 1agb n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1agb n GLY 120 N -1.66 0.69 3.26 0.44 0.00 -1.26 -5.03 105.19 101.63 1agb n GLY 120 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1agb n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agb s LYS 121 N -0.04 2.64 0.29 1.61 1.02 -0.90 -5.08 119.74 119.27 1agb s LYS 121 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 1agb s LYS 121 Cb 0.00 -2.19 -0.13 0.00 -0.52 0.00 0.00 37.83 34.99 1agb s LYS 121 CO 0.00 0.35 1.25 -0.25 -0.92 0.00 0.00 175.35 175.78 1agb n ASP 122 N 3.04 2.32 0.04 2.83 8.00 -1.26 -1.01 116.55 130.50 1agb n ASP 122 Ca -0.18 1.18 -0.01 0.00 0.71 0.00 0.00 54.79 56.50 1agb n ASP 122 Cb 0.52 -1.40 -0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1agb n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1agb n TYR 123 N 0.83 0.00 -3.75 1.24 9.36 -0.36 -4.70 117.16 119.78 1agb n TYR 123 Ca 0.08 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.17 1agb n TYR 123 Cb 0.33 -0.03 -0.08 0.00 -0.63 0.00 0.00 39.34 38.92 1agb n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1agb s ILE 124 N -2.05 0.06 -0.13 2.97 2.07 -1.22 -1.52 121.20 121.37 1agb s ILE 124 Ca -0.02 -0.49 -0.12 0.00 -1.41 0.00 0.00 60.65 58.61 1agb s ILE 124 Cb 0.00 -0.67 0.04 0.00 0.13 0.00 0.00 42.46 41.96 1agb s ILE 124 CO 0.03 -0.27 0.35 0.00 -1.91 0.00 0.00 174.94 173.14 1agb s ALA 125 N -1.48 -0.88 0.08 1.50 0.00 -0.60 -1.03 121.76 119.36 1agb s ALA 125 Ca -0.12 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1agb s ALA 125 Cb -0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1agb s ALA 125 CO 0.03 -0.17 1.17 -1.17 0.00 0.00 0.00 175.76 175.62 1agb s LEU 126 N 0.26 4.39 0.74 0.00 2.96 0.26 -1.68 118.68 125.61 1agb s LEU 126 Ca -0.01 2.01 -0.11 0.00 -0.22 0.00 0.00 54.13 55.81 1agb s LEU 126 Cb -0.03 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.11 1agb s LEU 126 CO -0.00 -0.41 1.07 0.20 -1.32 0.00 0.00 176.35 175.90 1agb s ASN 127 N 0.81 4.93 0.65 3.68 0.01 0.12 -4.59 114.94 120.55 1agb s ASN 127 Ca 0.56 1.66 0.34 0.00 -0.71 0.00 0.00 52.86 54.71 1agb s ASN 127 Cb -0.29 -2.45 1.85 0.00 0.41 0.00 0.00 41.25 40.77 1agb s ASN 127 CO 0.30 -1.74 2.07 -0.08 -1.51 0.00 0.00 177.10 176.15 1agb h GLU 128 N -0.92 0.00 0.00 -0.60 4.81 -1.89 0.22 114.58 116.20 1agb h GLU 128 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1agb h GLU 128 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1agb h GLU 128 CO 0.55 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 1agb n ASP 129 N -3.14 0.29 -2.26 1.04 5.68 -1.26 -4.77 116.55 112.13 1agb n ASP 129 Ca -0.01 0.56 -0.21 0.00 -0.50 0.00 0.00 54.79 54.63 1agb n ASP 129 Cb 0.30 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.63 1agb n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1agb n LEU 130 N -1.81 -1.89 0.00 -2.12 4.77 0.78 -4.79 117.00 111.95 1agb n LEU 130 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1agb n LEU 130 Cb 0.24 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1agb n LEU 130 CO 0.19 -0.37 -0.11 0.54 -1.33 0.00 0.00 177.39 176.32 1agb n ARG 131 N -2.91 2.88 -4.45 3.23 1.74 -1.26 -4.58 116.66 111.31 1agb n ARG 131 Ca -0.24 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.62 1agb n ARG 131 Cb 0.69 -0.61 -0.10 0.00 -1.02 0.00 0.00 32.46 31.42 1agb n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1agb s SER 132 N -0.91 2.32 0.15 0.55 1.04 -1.26 -4.90 113.70 110.70 1agb s SER 132 Ca 0.00 -1.39 0.09 0.00 0.48 0.00 0.00 55.95 55.12 1agb s SER 132 Cb 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1agb s SER 132 CO 0.00 -0.63 -0.19 0.26 0.98 0.00 0.00 173.24 173.66 1agb s TRP 133 N -3.32 1.84 -0.19 5.02 0.52 -1.26 -0.70 118.94 120.85 1agb s TRP 133 Ca 0.36 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.04 1agb s TRP 133 Cb 0.08 -0.94 0.03 0.00 -1.15 0.00 0.00 33.47 31.49 1agb s TRP 133 CO 0.15 0.32 -0.17 0.99 0.02 0.00 0.00 176.95 178.26 1agb s THR 134 N -1.85 1.95 -0.13 2.01 2.01 -0.68 -4.91 115.64 114.04 1agb s THR 134 Ca 0.14 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1agb s THR 134 Cb -0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1agb s THR 134 CO 0.06 0.42 0.08 0.00 -0.69 0.00 0.00 174.62 174.50 1agb s ALA 135 N 1.31 3.58 -0.16 7.40 0.00 -1.26 -1.55 121.76 131.07 1agb s ALA 135 Ca 0.03 -0.71 0.21 0.00 0.00 0.00 0.00 51.96 51.48 1agb s ALA 135 Cb -0.14 -1.84 0.42 0.00 0.00 0.00 0.00 23.12 21.56 1agb s ALA 135 CO -0.11 0.46 1.62 0.00 0.00 0.00 0.00 175.76 177.72 1agb h ALA 136 N 5.61 0.87 -3.02 0.00 0.00 -1.55 -3.47 119.26 117.70 1agb h ALA 136 Ca -0.48 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1agb h ALA 136 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1agb h ALA 136 CO 0.62 0.31 0.14 -0.40 0.00 0.00 0.00 179.25 179.92 1agb n ASP 137 N -3.21 -1.65 0.26 0.00 5.68 -1.26 -5.03 116.55 111.34 1agb n ASP 137 Ca 0.02 -2.33 0.11 0.00 -0.50 0.00 0.00 54.79 52.10 1agb n ASP 137 Cb 0.58 2.81 0.71 0.00 -1.14 0.00 0.00 41.12 44.07 1agb n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1agb h THR 138 N 1.79 0.69 -0.06 2.12 1.35 -1.99 -1.26 112.91 115.56 1agb h THR 138 Ca -0.26 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1agb h THR 138 Cb 0.98 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1agb h THR 138 CO 0.33 0.11 -0.10 0.00 -0.25 0.00 0.00 175.52 175.61 1agb h ALA 139 N 1.89 0.09 -0.48 6.62 0.00 -1.97 -3.12 119.26 122.30 1agb h ALA 139 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1agb h ALA 139 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1agb h ALA 139 CO 0.01 -0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.53 1agb h ALA 140 N 0.50 1.75 -0.01 0.00 0.00 -1.68 0.22 119.26 120.05 1agb h ALA 140 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1agb h ALA 140 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1agb h ALA 140 CO 0.02 0.20 0.01 1.96 0.00 0.00 0.00 179.25 181.44 1agb h GLN 141 N 0.56 0.00 -0.24 0.00 4.20 -1.19 0.27 115.11 118.70 1agb h GLN 141 Ca 0.19 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 1agb h GLN 141 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1agb h GLN 141 CO -0.05 0.00 -0.10 0.82 -0.67 0.00 0.00 178.83 178.84 1agb h ILE 142 N 0.00 1.30 -0.51 2.54 1.08 -0.91 -1.13 117.51 119.88 1agb h ILE 142 Ca 0.00 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1agb h ILE 142 Cb 0.02 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1agb h ILE 142 CO -0.00 0.36 0.22 0.74 -0.69 0.00 0.00 178.15 178.77 1agb h THR 143 N 0.22 1.21 -0.36 -0.27 2.02 -1.16 -2.58 112.91 111.99 1agb h THR 143 Ca 0.06 -0.62 0.06 0.00 0.77 0.00 0.00 66.41 66.67 1agb h THR 143 Cb 0.59 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1agb h THR 143 CO 0.03 0.24 0.04 -0.61 0.37 0.00 0.00 175.52 175.59 1agb h GLN 144 N 0.68 0.14 -0.55 6.66 4.15 -0.84 -1.09 115.11 124.25 1agb h GLN 144 Ca 0.17 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.64 1agb h GLN 144 Cb 0.17 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1agb h GLN 144 CO -0.02 0.10 0.27 0.00 -1.93 0.00 0.00 178.83 177.25 1agb h ARG 145 N 0.15 0.51 -0.32 1.69 3.08 -1.01 -0.08 114.38 118.40 1agb h ARG 145 Ca 0.17 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1agb h ARG 145 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1agb h ARG 145 CO -0.25 0.34 -0.23 0.87 -1.07 0.00 0.00 179.97 179.62 1agb h LYS 146 N 0.52 0.62 -0.33 0.04 1.57 -1.05 -2.34 116.57 115.60 1agb h LYS 146 Ca 0.25 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1agb h LYS 146 Cb 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1agb h LYS 146 CO -0.18 0.80 -0.36 -1.49 -0.57 0.00 0.00 179.45 177.66 1agb h TRP 147 N 0.54 1.00 -0.46 -1.35 4.06 -0.57 -2.32 115.95 116.85 1agb h TRP 147 Ca 0.08 -0.31 -0.02 0.00 2.06 0.00 0.00 58.89 60.70 1agb h TRP 147 Cb 0.70 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1agb h TRP 147 CO 0.03 1.10 0.21 0.93 -3.56 0.00 0.00 178.44 177.15 1agb h GLU 148 N 0.62 0.67 -0.77 0.49 5.08 -1.01 -1.00 114.58 118.66 1agb h GLU 148 Ca 0.05 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1agb h GLU 148 Cb 0.95 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1agb h GLU 148 CO 0.09 0.59 0.31 0.00 -1.00 0.00 0.00 179.01 179.00 1agb h ALA 149 N 1.05 1.09 -0.01 3.43 0.00 -1.38 -2.51 119.26 120.93 1agb h ALA 149 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1agb h ALA 149 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1agb h ALA 149 CO -0.02 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.71 1agb n ALA 150 N -2.44 2.91 -3.33 0.00 0.00 -0.88 -4.97 120.51 111.80 1agb n ALA 150 Ca 0.07 -0.36 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1agb n ALA 150 Cb 0.18 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.50 1agb n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1agb n ARG 151 N -0.68 -5.30 -0.00 0.00 1.74 -0.43 -4.95 116.66 107.03 1agb n ARG 151 Ca 0.14 0.83 -0.17 0.00 -0.77 0.00 0.00 57.85 57.87 1agb n ARG 151 Cb 0.32 -5.74 -0.10 0.00 -1.02 0.00 0.00 32.46 25.91 1agb n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1agb h VAL 152 N -1.63 1.41 -1.01 1.55 2.07 -1.69 -3.24 116.25 113.71 1agb h VAL 152 Ca -0.58 -2.02 0.27 0.00 0.82 0.00 0.00 66.70 65.19 1agb h VAL 152 Cb 1.32 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 33.52 1agb h VAL 152 CO 0.47 0.59 0.69 0.00 0.02 0.00 0.00 177.57 179.34 1agb h ALA 153 N 0.36 2.54 -0.08 1.67 0.00 -1.91 0.21 119.26 122.05 1agb h ALA 153 Ca -0.07 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1agb h ALA 153 Cb 1.28 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1agb h ALA 153 CO 0.12 -0.88 -0.31 0.93 0.00 0.00 0.00 179.25 179.10 1agb h GLU 154 N 0.23 0.15 0.04 0.00 5.08 -1.82 0.80 114.58 119.06 1agb h GLU 154 Ca 0.53 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1agb h GLU 154 Cb 1.64 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.89 1agb h GLU 154 CO -0.15 0.46 -0.45 1.96 -1.00 0.00 0.00 179.01 179.83 1agb h GLN 155 N 0.14 0.23 -0.76 2.33 1.08 -0.73 -2.68 115.11 114.71 1agb h GLN 155 Ca 0.02 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1agb h GLN 155 Cb 0.63 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 1agb h GLN 155 CO 0.05 1.07 0.43 -0.44 -0.95 0.00 0.00 178.83 178.98 1agb h ASP 156 N -0.47 0.93 -0.42 1.46 3.32 -1.19 -2.44 116.42 117.62 1agb h ASP 156 Ca -0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1agb h ASP 156 Cb 1.26 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1agb h ASP 156 CO 0.09 0.75 0.21 -0.09 -1.72 0.00 0.00 179.24 178.47 1agb h ARG 157 N 1.04 0.60 -0.60 3.56 2.43 -0.92 0.18 114.38 120.67 1agb h ARG 157 Ca 0.27 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1agb h ARG 157 Cb 0.01 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1agb h ARG 157 CO -0.05 0.51 0.40 0.00 -1.51 0.00 0.00 179.97 179.32 1agb h ALA 158 N 1.06 1.57 0.08 2.80 0.00 -1.20 -1.13 119.26 122.44 1agb h ALA 158 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1agb h ALA 158 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1agb h ALA 158 CO -0.02 0.40 -0.04 -0.92 0.00 0.00 0.00 179.25 178.67 1agb h TYR 159 N 0.81 -0.10 0.00 0.00 3.20 -1.07 -1.77 116.97 118.05 1agb h TYR 159 Ca 0.22 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1agb h TYR 159 Cb -0.09 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1agb h TYR 159 CO -0.00 0.45 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.88 1agb h LEU 160 N -0.83 0.00 0.00 2.82 3.38 -0.39 0.20 115.31 120.50 1agb h LEU 160 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1agb h LEU 160 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1agb h LEU 160 CO 0.02 0.02 -2.07 -0.62 0.09 0.00 0.00 178.44 175.88 1agb n GLU 161 N -3.98 0.67 0.00 1.13 1.02 -0.45 -4.38 120.64 114.65 1agb n GLU 161 Ca -0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1agb n GLU 161 Cb 0.11 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1agb n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1agb n GLY 162 N 1.49 0.06 0.30 0.62 0.00 -0.66 -4.65 105.19 102.35 1agb n GLY 162 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1agb n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1agb h THR 163 N 0.00 0.46 -0.63 2.61 2.02 -1.61 -1.54 112.91 114.22 1agb h THR 163 Ca 0.00 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1agb h THR 163 Cb 0.00 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1agb h THR 163 CO 0.00 0.06 0.04 0.00 0.37 0.00 0.00 175.52 175.99 1agb h VAL 165 N 1.00 1.36 -0.45 0.00 2.07 -1.60 -2.02 116.25 116.62 1agb h VAL 165 Ca 0.18 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1agb h VAL 165 Cb 0.52 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1agb h VAL 165 CO 0.02 0.63 0.10 -0.33 0.02 0.00 0.00 177.57 178.01 1agb h GLU 166 N 0.31 0.72 -0.06 1.57 5.08 -1.14 -1.67 114.58 119.40 1agb h GLU 166 Ca -0.03 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1agb h GLU 166 Cb 1.29 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1agb h GLU 166 CO 0.13 0.73 0.02 -1.49 -1.00 0.00 0.00 179.01 177.39 1agb h TRP 167 N 0.59 0.09 -0.76 4.33 4.06 -1.26 -1.72 115.95 121.28 1agb h TRP 167 Ca 0.14 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.16 1agb h TRP 167 Cb 0.34 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.41 1agb h TRP 167 CO 0.02 0.25 0.43 1.25 -3.56 0.00 0.00 178.44 176.83 1agb h LEU 168 N -0.10 0.62 -0.69 -4.49 5.85 -1.29 0.18 115.31 115.39 1agb h LEU 168 Ca 0.02 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1agb h LEU 168 Cb 0.20 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1agb h LEU 168 CO -0.00 0.37 0.12 0.03 -0.34 0.00 0.00 178.44 178.62 1agb h ARG 169 N 0.75 1.13 -0.21 1.25 3.08 -1.19 -0.33 114.38 118.87 1agb h ARG 169 Ca 0.36 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1agb h ARG 169 Cb 0.29 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1agb h ARG 169 CO -0.22 1.02 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.57 1agb h ARG 170 N 1.06 0.39 -0.68 0.04 2.43 -0.39 -2.66 114.38 114.57 1agb h ARG 170 Ca 0.21 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1agb h ARG 170 Cb 0.43 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1agb h ARG 170 CO 0.01 0.63 0.35 1.88 -1.51 0.00 0.00 179.97 181.33 1agb h TYR 171 N 0.12 0.95 -0.23 2.20 0.05 -0.52 -1.63 116.97 117.92 1agb h TYR 171 Ca 0.05 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1agb h TYR 171 Cb 0.48 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1agb h TYR 171 CO 0.05 0.68 -0.15 -0.07 -1.05 0.00 0.00 178.16 177.62 1agb h LEU 172 N 0.96 0.36 -0.01 3.88 3.38 -0.96 -1.67 115.31 121.26 1agb h LEU 172 Ca 0.24 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1agb h LEU 172 Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1agb h LEU 172 CO -0.03 0.54 -0.02 -0.08 0.09 0.00 0.00 178.44 178.94 1agb h GLU 173 N 0.35 0.02 0.00 1.13 4.57 -1.06 -2.42 114.58 117.18 1agb h GLU 173 Ca 0.07 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1agb h GLU 173 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1agb h GLU 173 CO 0.03 0.66 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.52 1agb h ASN 174 N -0.61 0.00 -0.24 1.04 -0.26 -1.29 -3.01 115.58 111.21 1agb h ASN 174 Ca -0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 1agb h ASN 174 Cb 0.66 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.79 1agb h ASN 174 CO 0.00 0.08 -0.57 0.61 -1.06 0.00 0.00 177.43 176.49 1agb n GLY 175 N -1.18 5.52 0.33 2.83 0.00 -0.63 -4.84 105.19 107.22 1agb n GLY 175 Ca -0.03 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.41 1agb n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1agb h LYS 176 N 1.36 0.10 0.00 1.61 2.10 -1.29 -0.54 116.57 119.92 1agb h LYS 176 Ca 0.12 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.74 1agb h LYS 176 Cb 1.18 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1agb h LYS 176 CO 0.25 0.07 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.22 1agb h ASP 177 N 0.11 0.00 0.00 7.07 3.32 -1.88 -2.68 116.42 122.35 1agb h ASP 177 Ca 0.16 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1agb h ASP 177 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1agb h ASP 177 CO -0.02 0.11 -1.40 0.35 -1.72 0.00 0.00 179.24 176.56 1agb n THR 178 N -3.50 0.40 -0.23 0.35 -2.24 -0.95 -4.46 114.28 103.64 1agb n THR 178 Ca -0.01 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 1agb n THR 178 Cb 0.26 -1.28 0.15 0.00 -2.10 0.00 0.00 70.33 67.37 1agb n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1agb h LEU 179 N -0.16 0.95 -1.88 3.22 3.38 -1.23 -2.59 115.31 117.00 1agb h LEU 179 Ca -0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1agb h LEU 179 Cb 1.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1agb h LEU 179 CO -0.08 0.81 0.00 -0.62 0.09 0.00 0.00 178.44 178.64 1agb n GLU 180 N -4.32 2.26 -4.51 1.13 -0.58 -1.01 -4.88 120.64 108.73 1agb n GLU 180 Ca 0.07 -1.79 -0.33 0.00 -0.42 0.00 0.00 57.16 54.68 1agb n GLU 180 Cb 0.14 -1.43 -0.14 0.00 -0.57 0.00 0.00 31.44 29.44 1agb n GLU 180 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1agb s ARG 181 N -1.41 3.39 -0.19 3.49 3.52 -0.98 -5.02 118.95 121.75 1agb s ARG 181 Ca 0.33 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 55.19 1agb s ARG 181 Cb 0.18 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 1agb s ARG 181 CO 0.21 0.10 0.09 0.00 -0.81 0.00 0.00 175.30 174.89 1agb s ALA 182 N 0.66 3.47 -0.27 6.12 0.00 -1.26 -4.80 121.76 125.69 1agb s ALA 182 Ca -0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 1agb s ALA 182 Cb -0.15 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1agb s ALA 182 CO 0.02 0.11 0.17 -0.51 0.00 0.00 0.00 175.76 175.56 1agb s ASP 183 N 0.48 5.92 0.68 0.00 1.01 0.51 -4.77 116.67 120.50 1agb s ASP 183 Ca 0.05 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.15 1agb s ASP 183 Cb -0.12 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.72 1agb s ASP 183 CO 0.00 -0.04 1.09 -2.16 0.21 0.00 0.00 175.17 174.27 1agb s PRO 184 N 1.68 2.76 0.43 8.23 0.04 -1.26 -1.89 135.00 144.99 1agb s PRO 184 Ca 0.07 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 1agb s PRO 184 Cb -0.16 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1agb s PRO 184 CO 0.10 -1.26 0.91 -1.25 0.04 0.00 0.00 177.00 175.53 1agb s PRO 185 N -4.46 4.07 -0.11 0.56 0.04 -1.26 -4.32 135.00 129.52 1agb s PRO 185 Ca 0.63 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 1agb s PRO 185 Cb -0.18 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1agb s PRO 185 CO 0.47 -0.07 0.46 0.15 0.04 0.00 0.00 177.00 178.05 1agb s LYS 186 N -3.46 4.30 0.13 4.56 3.01 0.08 -4.83 119.74 123.53 1agb s LYS 186 Ca 0.59 0.42 0.08 0.00 -1.01 0.00 0.00 55.97 56.04 1agb s LYS 186 Cb -0.10 -3.42 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 1agb s LYS 186 CO 0.21 0.21 -0.19 0.95 0.51 0.00 0.00 175.35 177.04 1agb s THR 187 N 0.45 1.70 -0.07 2.17 -4.23 -1.26 -1.31 115.64 113.09 1agb s THR 187 Ca 0.25 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.74 1agb s THR 187 Cb -0.15 -1.65 0.12 0.00 1.34 0.00 0.00 72.50 72.15 1agb s THR 187 CO 0.10 -0.21 1.06 -1.38 -0.54 0.00 0.00 174.62 173.65 1agb s HIS 188 N -1.62 -0.21 -0.09 3.99 -3.43 -1.10 -4.99 115.29 107.84 1agb s HIS 188 Ca 0.10 0.10 0.03 0.00 -0.80 0.00 0.00 55.06 54.49 1agb s HIS 188 Cb -0.08 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.60 1agb s HIS 188 CO 0.05 -0.41 -0.19 0.08 -2.00 0.00 0.00 174.74 172.28 1agb s VAL 189 N -2.79 2.58 0.32 -5.38 1.01 -1.26 -0.51 120.40 114.37 1agb s VAL 189 Ca 0.08 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1agb s VAL 189 Cb -0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1agb s VAL 189 CO -0.06 0.55 0.13 0.42 0.00 0.00 0.00 175.10 176.14 1agb s THR 190 N 0.05 3.24 -0.06 3.92 -4.23 0.00 -4.76 115.64 113.81 1agb s THR 190 Ca -0.07 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1agb s THR 190 Cb -0.15 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1agb s THR 190 CO 0.05 -0.23 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.58 1agb s HIS 191 N -2.38 0.79 -0.25 3.99 2.46 -1.26 -1.69 115.29 116.95 1agb s HIS 191 Ca 0.36 -0.24 -0.01 0.00 0.47 0.00 0.00 55.06 55.64 1agb s HIS 191 Cb -0.04 -0.75 0.08 0.00 -0.13 0.00 0.00 32.58 31.74 1agb s HIS 191 CO 0.23 -0.25 0.04 -1.01 -2.47 0.00 0.00 174.74 171.27 1agb s HIS 192 N 1.24 1.68 0.63 3.88 3.76 0.05 -4.97 115.29 121.56 1agb s HIS 192 Ca -0.06 -1.46 -0.18 0.00 -0.15 0.00 0.00 55.06 53.21 1agb s HIS 192 Cb -0.14 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 1agb s HIS 192 CO -0.02 -0.76 0.96 -2.30 -0.85 0.00 0.00 174.74 171.78 1agb n PRO 193 N 4.86 0.80 -0.02 8.40 -0.02 -1.26 -1.09 135.00 146.67 1agb n PRO 193 Ca -0.07 0.32 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1agb n PRO 193 Cb 0.44 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1agb n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1agb n ILE 194 N -1.93 0.23 -3.04 4.25 5.41 0.12 -4.80 119.36 119.60 1agb n ILE 194 Ca 0.14 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1agb n ILE 194 Cb 0.48 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1agb n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1agb n SER 195 N -2.67 0.00 0.28 4.38 3.41 -1.07 -4.98 113.62 112.97 1agb n SER 195 Ca -0.07 -0.99 0.18 0.00 -0.26 0.00 0.00 58.87 57.72 1agb n SER 195 Cb 0.57 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.24 1agb n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1agb h ASP 196 N 0.00 0.00 0.15 4.04 3.32 -2.04 -3.31 116.42 118.57 1agb h ASP 196 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1agb h ASP 196 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1agb h ASP 196 CO 0.00 0.00 -2.17 1.41 -1.72 0.00 0.00 179.24 176.76 1agb n HIS 197 N -3.06 0.45 -4.22 4.55 8.25 -1.26 -4.74 115.22 115.19 1agb n HIS 197 Ca 0.00 0.13 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1agb n HIS 197 Cb 0.29 -1.07 -0.10 0.00 1.12 0.00 0.00 29.99 30.22 1agb n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1agb s GLU 198 N -2.53 1.02 0.10 -0.41 2.02 -1.25 -0.59 118.70 117.05 1agb s GLU 198 Ca -0.16 -1.46 -0.10 0.00 0.02 0.00 0.00 54.97 53.26 1agb s GLU 198 Cb 0.07 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 34.03 1agb s GLU 198 CO 0.77 -0.08 0.24 0.00 0.02 0.00 0.00 175.26 176.22 1agb s ALA 199 N -3.61 -0.39 -0.12 5.21 0.00 -0.38 -0.70 121.76 121.75 1agb s ALA 199 Ca 0.19 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1agb s ALA 199 Cb 0.05 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1agb s ALA 199 CO 0.01 -0.55 0.05 0.99 0.00 0.00 0.00 175.76 176.26 1agb s THR 200 N -3.85 4.71 -0.18 0.00 2.01 -0.25 -0.29 115.64 117.79 1agb s THR 200 Ca 0.05 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 1agb s THR 200 Cb 0.04 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1agb s THR 200 CO -0.11 0.57 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.54 1agb s LEU 201 N -0.54 2.82 -0.05 4.42 1.43 -0.25 -0.77 118.68 125.73 1agb s LEU 201 Ca 0.10 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1agb s LEU 201 Cb -0.12 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1agb s LEU 201 CO 0.02 0.07 -0.24 -0.60 0.23 0.00 0.00 176.35 175.83 1agb s ARG 202 N 0.96 2.50 -0.17 1.70 3.52 -0.68 -1.68 118.95 125.10 1agb s ARG 202 Ca -0.01 -0.89 -0.02 0.00 -0.13 0.00 0.00 55.73 54.69 1agb s ARG 202 Cb -0.15 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 1agb s ARG 202 CO -0.00 0.42 -0.10 0.00 -0.81 0.00 0.00 175.30 174.81 1agb s TRP 204 N 0.88 3.32 -0.09 0.00 0.52 0.33 -2.27 118.94 121.63 1agb s TRP 204 Ca -0.03 0.20 -0.03 0.00 0.02 0.00 0.00 56.10 56.27 1agb s TRP 204 Cb -0.15 -1.72 0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1agb s TRP 204 CO 0.00 0.56 0.06 0.00 0.02 0.00 0.00 176.95 177.59 1agb s ALA 205 N -1.28 0.43 0.07 0.98 0.00 -0.87 -2.70 121.76 118.39 1agb s ALA 205 Ca 0.26 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1agb s ALA 205 Cb -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1agb s ALA 205 CO 0.17 -0.72 -0.14 -0.51 0.00 0.00 0.00 175.76 174.57 1agb s LEU 206 N 2.10 2.27 -0.57 0.00 1.43 -0.43 -1.78 118.68 121.71 1agb s LEU 206 Ca 0.04 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1agb s LEU 206 Cb -0.13 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1agb s LEU 206 CO -0.05 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1agb n GLY 207 N 1.32 0.78 3.88 -3.19 0.00 -0.91 -0.74 105.19 106.34 1agb n GLY 207 Ca -0.21 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1agb n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1agb s PHE 208 N -2.13 3.45 -0.18 1.61 -0.71 -1.11 -4.70 117.98 114.20 1agb s PHE 208 Ca 0.00 0.82 -0.11 0.00 -1.04 0.00 0.00 56.93 56.61 1agb s PHE 208 Cb 0.00 -2.23 0.06 0.00 -1.21 0.00 0.00 43.02 39.64 1agb s PHE 208 CO 0.00 0.19 0.45 -0.47 -1.34 0.00 0.00 175.22 174.05 1agb s TYR 209 N -1.97 -0.64 0.94 3.49 6.14 -0.79 -0.75 117.35 123.76 1agb s TYR 209 Ca 0.47 1.37 -0.15 0.00 0.64 0.00 0.00 57.07 59.40 1agb s TYR 209 Cb -0.11 0.30 0.17 0.00 0.42 0.00 0.00 41.96 42.74 1agb s TYR 209 CO 0.25 -0.35 1.26 -1.25 0.64 0.00 0.00 175.55 176.10 1agb s PRO 210 N 1.29 0.88 0.51 4.97 0.04 -1.26 -0.37 135.00 141.06 1agb s PRO 210 Ca -0.08 -0.21 0.19 0.00 0.04 0.00 0.00 61.00 60.93 1agb s PRO 210 Cb -0.07 -1.85 1.27 0.00 0.04 0.00 0.00 34.50 33.89 1agb s PRO 210 CO -0.12 -2.29 2.08 0.00 0.04 0.00 0.00 177.00 176.71 1agb h ALA 211 N -1.55 2.16 -2.32 8.56 0.00 -1.94 -3.44 119.26 120.72 1agb h ALA 211 Ca -0.45 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 1agb h ALA 211 Cb 1.27 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.10 1agb h ALA 211 CO 0.46 -0.22 0.95 -1.91 0.00 0.00 0.00 179.25 178.53 1agb n GLU 212 N -4.48 2.38 -3.56 0.00 4.07 -1.26 -4.97 120.64 112.82 1agb n GLU 212 Ca 0.03 0.86 -0.07 0.00 -0.06 0.00 0.00 57.16 57.92 1agb n GLU 212 Cb 0.29 -2.69 -0.02 0.00 -0.06 0.00 0.00 31.44 28.97 1agb n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1agb s ILE 213 N 1.97 0.00 -0.09 6.31 2.07 -1.26 -4.63 121.20 125.57 1agb s ILE 213 Ca 0.82 -0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.87 1agb s ILE 213 Cb -0.62 -1.25 0.04 0.00 0.13 0.00 0.00 42.46 40.76 1agb s ILE 213 CO 0.40 0.00 0.05 -0.89 -1.91 0.00 0.00 174.94 172.59 1agb s THR 214 N -3.16 0.04 -0.09 4.00 2.01 -0.94 -5.01 115.64 112.49 1agb s THR 214 Ca 0.07 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.25 1agb s THR 214 Cb -0.01 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1agb s THR 214 CO -0.06 0.06 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.00 1agb s LEU 215 N 2.10 2.50 0.02 4.42 1.43 -1.26 -1.99 118.68 125.90 1agb s LEU 215 Ca 0.04 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1agb s LEU 215 Cb -0.13 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 1agb s LEU 215 CO -0.05 0.22 0.14 0.42 0.23 0.00 0.00 176.35 177.31 1agb s THR 216 N -0.01 0.10 0.08 5.49 -4.23 -0.75 -4.97 115.64 111.35 1agb s THR 216 Ca -0.05 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1agb s THR 216 Cb -0.15 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1agb s THR 216 CO 0.05 -0.46 -0.16 0.26 -0.54 0.00 0.00 174.62 173.77 1agb s TRP 217 N -1.97 2.60 -0.01 3.99 0.52 -1.26 -0.65 118.94 122.17 1agb s TRP 217 Ca -0.10 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1agb s TRP 217 Cb -0.04 -1.42 -0.01 0.00 -1.15 0.00 0.00 33.47 30.85 1agb s TRP 217 CO -0.01 0.35 -0.08 -0.65 0.02 0.00 0.00 176.95 176.58 1agb s GLN 218 N -1.87 0.66 -0.27 4.98 -0.21 -0.54 -1.07 119.66 121.35 1agb s GLN 218 Ca 0.17 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 55.23 1agb s GLN 218 Cb -0.11 -0.64 0.02 0.00 1.00 0.00 0.00 33.01 33.28 1agb s GLN 218 CO 0.09 0.17 -0.01 -0.98 -2.12 0.00 0.00 175.29 172.44 1agb s ARG 219 N -0.17 2.88 -1.16 2.91 1.70 -0.47 -2.00 118.95 122.64 1agb s ARG 219 Ca 0.03 -0.96 -0.05 0.00 -0.47 0.00 0.00 55.73 54.27 1agb s ARG 219 Cb -0.03 -3.13 0.01 0.00 -0.57 0.00 0.00 34.95 31.23 1agb s ARG 219 CO -0.00 -0.43 0.71 -0.25 -1.08 0.00 0.00 175.30 174.25 1agb n ASP 220 N 4.73 -5.35 0.00 -2.89 8.00 -0.20 -2.33 116.55 118.51 1agb n ASP 220 Ca -0.16 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1agb n ASP 220 Cb 0.47 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 1agb n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1agb n GLY 221 N -1.53 1.64 3.61 0.44 0.00 -1.26 -5.02 105.19 103.06 1agb n GLY 221 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1agb n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1agb s GLU 222 N -0.03 3.99 0.28 1.61 2.56 -0.98 -4.99 118.70 121.14 1agb s GLU 222 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.46 1agb s GLU 222 Cb 0.00 -3.64 -0.13 0.00 2.00 0.00 0.00 34.13 32.36 1agb s GLU 222 CO 0.00 -0.16 1.29 -0.25 -0.56 0.00 0.00 175.26 175.58 1agb n ASP 223 N 4.99 2.46 -2.37 -1.70 9.92 -1.26 -1.37 116.55 127.22 1agb n ASP 223 Ca -0.13 1.17 -0.32 0.00 -0.53 0.00 0.00 54.79 54.98 1agb n ASP 223 Cb 0.52 -1.42 0.05 0.00 -0.64 0.00 0.00 41.12 39.63 1agb n ASP 223 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1agb n GLN 224 N 1.27 3.02 -0.26 -1.24 1.13 -0.23 -4.84 117.38 116.22 1agb n GLN 224 Ca 0.09 -3.68 0.04 0.00 -1.94 0.00 0.00 57.00 51.51 1agb n GLN 224 Cb 0.33 -2.28 0.14 0.00 0.11 0.00 0.00 30.24 28.54 1agb n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1agb h THR 225 N 1.65 0.30 0.00 5.09 2.02 -1.91 0.36 112.91 120.42 1agb h THR 225 Ca 0.51 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.64 1agb h THR 225 Cb 0.87 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1agb h THR 225 CO 1.28 0.01 -0.11 1.56 0.37 0.00 0.00 175.52 178.62 1agb h GLN 226 N 0.07 0.00 -0.02 6.66 1.08 -2.00 -3.19 115.11 117.71 1agb h GLN 226 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1agb h GLN 226 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1agb h GLN 226 CO -0.71 0.11 -0.03 -0.25 -0.95 0.00 0.00 178.83 177.00 1agb n ASP 227 N -3.32 2.47 -4.74 1.46 9.92 0.04 -4.97 116.55 117.41 1agb n ASP 227 Ca -0.00 -1.74 -0.37 0.00 -0.53 0.00 0.00 54.79 52.15 1agb n ASP 227 Cb 0.33 0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.78 1agb n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1agb s THR 228 N -1.58 5.21 -0.22 -3.53 2.01 -0.71 -4.62 115.64 112.19 1agb s THR 228 Ca 0.21 0.81 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 1agb s THR 228 Cb 0.15 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1agb s THR 228 CO 0.25 0.37 0.36 -0.70 -0.69 0.00 0.00 174.62 174.21 1agb s GLU 229 N 0.40 4.12 -0.08 4.92 2.12 0.22 -4.91 118.70 125.50 1agb s GLU 229 Ca 0.23 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.70 1agb s GLU 229 Cb -0.15 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1agb s GLU 229 CO 0.08 -0.08 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.35 1agb s LEU 230 N 1.45 2.30 0.18 2.70 2.96 -1.26 -0.41 118.68 126.60 1agb s LEU 230 Ca 0.16 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1agb s LEU 230 Cb -0.15 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1agb s LEU 230 CO 0.08 0.23 0.28 0.68 -1.32 0.00 0.00 176.35 176.31 1agb s VAL 231 N -0.09 5.15 0.30 1.68 -7.23 -1.09 -5.05 120.40 114.07 1agb s VAL 231 Ca -0.05 -0.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 1agb s VAL 231 Cb -0.14 -3.70 -0.10 0.00 0.56 0.00 0.00 36.38 33.00 1agb s VAL 231 CO 0.04 -0.18 1.21 -0.70 -0.31 0.00 0.00 175.10 175.17 1agb s GLU 232 N -3.46 4.49 0.15 4.82 2.12 -1.26 -4.61 118.70 120.94 1agb s GLU 232 Ca 0.34 2.02 -0.34 0.00 0.36 0.00 0.00 54.97 57.35 1agb s GLU 232 Cb -0.10 -3.13 -0.13 0.00 0.26 0.00 0.00 34.13 31.02 1agb s GLU 232 CO 0.28 -0.01 1.63 2.41 -0.54 0.00 0.00 175.26 179.03 1agb n THR 233 N 1.09 0.06 -4.67 -1.70 -1.04 -1.26 -4.88 114.28 101.88 1agb n THR 233 Ca -0.00 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1agb n THR 233 Cb 0.43 -1.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 1agb n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1agb s ARG 234 N 1.25 1.38 0.22 -2.82 1.70 -0.78 -4.96 118.95 114.94 1agb s ARG 234 Ca 0.80 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.88 1agb s ARG 234 Cb -0.65 -1.45 -0.08 0.00 -0.57 0.00 0.00 34.95 32.19 1agb s ARG 234 CO 0.38 0.38 1.14 -1.25 -1.08 0.00 0.00 175.30 174.87 1agb s PRO 235 N -1.04 4.56 0.06 3.89 0.04 -1.26 -1.01 135.00 140.24 1agb s PRO 235 Ca 0.07 1.82 0.12 0.00 0.04 0.00 0.00 61.00 63.05 1agb s PRO 235 Cb -0.08 -3.23 -0.17 0.00 0.04 0.00 0.00 34.50 31.06 1agb s PRO 235 CO 0.01 0.05 0.97 0.00 0.04 0.00 0.00 177.00 178.07 1agb h ALA 236 N 4.68 0.61 0.00 8.56 0.00 -1.38 -3.47 119.26 128.26 1agb h ALA 236 Ca -0.45 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.39 1agb h ALA 236 Cb 1.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1agb h ALA 236 CO 0.71 1.25 0.00 0.41 0.00 0.00 0.00 179.25 181.62 1agb n GLY 237 N 1.42 0.90 0.96 0.00 0.00 -1.26 -4.95 105.19 102.28 1agb n GLY 237 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1agb n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1agb n ASP 238 N 0.00 3.86 0.00 1.61 5.68 -1.26 -4.92 116.55 121.52 1agb n ASP 238 Ca 0.00 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 1agb n ASP 238 Cb 0.00 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 1agb n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1agb n ARG 239 N -0.03 0.00 -2.50 0.11 1.85 -1.26 -5.06 116.66 109.77 1agb n ARG 239 Ca 0.20 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.82 1agb n ARG 239 Cb 0.80 -0.14 0.07 0.00 -1.05 0.00 0.00 32.46 32.15 1agb n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1agb s THR 240 N -2.69 2.37 0.29 8.89 -4.23 -1.26 -4.88 115.64 114.13 1agb s THR 240 Ca 0.00 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1agb s THR 240 Cb 0.00 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.94 1agb s THR 240 CO 0.00 0.00 0.03 -0.36 -0.54 0.00 0.00 174.62 173.75 1agb s PHE 241 N -3.04 1.84 0.09 3.99 0.40 0.07 -0.98 117.98 120.35 1agb s PHE 241 Ca 0.62 -0.92 -0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1agb s PHE 241 Cb -0.08 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 1agb s PHE 241 CO 0.42 0.03 -0.01 -0.65 0.70 0.00 0.00 175.22 175.71 1agb s GLN 242 N -3.86 0.78 -0.18 0.44 -0.21 -0.18 -2.15 119.66 114.30 1agb s GLN 242 Ca 0.33 -1.33 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 1agb s GLN 242 Cb 0.07 0.11 0.14 0.00 1.00 0.00 0.00 33.01 34.34 1agb s GLN 242 CO 0.13 -0.14 1.09 0.21 -2.12 0.00 0.00 175.29 174.46 1agb s LYS 243 N -3.94 0.47 0.07 2.91 2.20 -0.73 -1.87 119.74 118.85 1agb s LYS 243 Ca 0.14 0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 55.76 1agb s LYS 243 Cb 0.07 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1agb s LYS 243 CO -0.05 -0.16 0.10 1.67 -0.36 0.00 0.00 175.35 176.56 1agb s TRP 244 N -1.33 0.29 -0.01 4.03 1.48 -1.26 -2.06 118.94 120.08 1agb s TRP 244 Ca 0.02 -0.75 0.02 0.00 -1.06 0.00 0.00 56.10 54.32 1agb s TRP 244 Cb -0.01 -0.19 0.00 0.00 -1.16 0.00 0.00 33.47 32.12 1agb s TRP 244 CO -0.02 -0.47 -0.06 0.00 -4.06 0.00 0.00 176.95 172.34 1agb s ALA 245 N -3.76 0.58 0.11 2.67 0.00 -0.96 -2.69 121.76 117.71 1agb s ALA 245 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.82 1agb s ALA 245 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1agb s ALA 245 CO -0.10 0.11 -0.11 0.00 0.00 0.00 0.00 175.76 175.66 1agb s ALA 246 N 0.08 1.23 -0.07 0.00 0.00 0.45 -0.88 121.76 122.58 1agb s ALA 246 Ca -0.01 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1agb s ALA 246 Cb -0.05 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1agb s ALA 246 CO -0.00 -0.02 0.19 0.54 0.00 0.00 0.00 175.76 176.47 1agb s VAL 247 N -2.50 -0.00 -0.23 0.00 0.11 -0.68 -0.61 120.40 116.49 1agb s VAL 247 Ca 0.08 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.97 1agb s VAL 247 Cb -0.03 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1agb s VAL 247 CO 0.01 0.00 0.42 -0.69 -3.33 0.00 0.00 175.10 171.51 1agb s VAL 248 N 0.13 5.16 0.19 2.04 1.01 -1.26 -1.09 120.40 126.58 1agb s VAL 248 Ca -0.00 0.72 0.10 0.00 0.00 0.00 0.00 61.98 62.79 1agb s VAL 248 Cb -0.02 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1agb s VAL 248 CO 0.00 0.19 -0.19 0.68 0.00 0.00 0.00 175.10 175.78 1agb s VAL 249 N 1.73 2.02 0.42 2.92 -7.23 0.60 -4.93 120.40 115.93 1agb s VAL 249 Ca 0.19 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 1agb s VAL 249 Cb -0.15 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1agb s VAL 249 CO 0.09 -0.32 1.07 -2.84 -0.31 0.00 0.00 175.10 172.79 1agb s PRO 250 N -2.97 4.05 0.18 4.82 0.02 -1.26 -1.26 135.00 138.58 1agb s PRO 250 Ca 0.20 1.55 -0.32 0.00 0.02 0.00 0.00 61.00 62.45 1agb s PRO 250 Cb -0.05 -2.47 -0.12 0.00 0.02 0.00 0.00 34.50 31.88 1agb s PRO 250 CO 0.09 -0.25 1.77 0.43 -0.33 0.00 0.00 177.00 178.70 1agb n SER 251 N -0.25 4.04 0.00 2.53 7.64 0.24 -2.08 113.62 125.74 1agb n SER 251 Ca 0.06 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1agb n SER 251 Cb 0.50 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1agb n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1agb n GLY 252 N 4.08 1.03 0.99 0.23 0.00 -1.26 -4.91 105.19 105.35 1agb n GLY 252 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1agb n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1agb n GLU 253 N -2.00 3.10 -0.14 1.61 1.02 -0.88 -4.65 120.64 118.69 1agb n GLU 253 Ca 0.00 -2.50 0.11 0.00 -0.02 0.00 0.00 57.16 54.76 1agb n GLU 253 Cb 0.00 -1.58 0.46 0.00 -0.02 0.00 0.00 31.44 30.29 1agb n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1agb h GLU 254 N 2.67 0.50 0.00 3.49 3.07 -1.91 -1.45 114.58 120.95 1agb h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1agb h GLU 254 Cb 1.10 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1agb h GLU 254 CO 0.11 0.33 0.00 1.04 -1.40 0.00 0.00 179.01 179.09 1agb n GLN 255 N -4.48 0.13 -0.00 2.33 1.13 -1.26 -2.47 117.38 112.76 1agb n GLN 255 Ca 0.12 0.36 0.14 0.00 -1.94 0.00 0.00 57.00 55.68 1agb n GLN 255 Cb 0.39 -1.75 0.84 0.00 0.11 0.00 0.00 30.24 29.82 1agb n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1agb n ARG 256 N -2.00 1.02 -4.95 -1.09 1.74 -0.54 -4.81 116.66 106.02 1agb n ARG 256 Ca 0.03 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 1agb n ARG 256 Cb 0.22 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 1agb n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1agb s TYR 257 N -2.00 2.62 0.00 -1.55 1.51 -1.03 -1.03 117.35 115.87 1agb s TYR 257 Ca 0.43 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1agb s TYR 257 Cb 0.20 -1.59 -0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1agb s TYR 257 CO 0.33 0.15 -0.02 0.95 -1.11 0.00 0.00 175.55 175.85 1agb s THR 258 N -0.73 0.14 -0.08 -0.71 -4.23 -0.85 -4.66 115.64 104.52 1agb s THR 258 Ca 0.11 -0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1agb s THR 258 Cb -0.10 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1agb s THR 258 CO 0.01 -0.06 0.04 0.00 -0.54 0.00 0.00 174.62 174.07 1agb s HIS 260 N -0.95 2.08 -0.06 0.00 3.76 0.18 -1.06 115.29 119.23 1agb s HIS 260 Ca 0.15 -0.66 0.04 0.00 -0.15 0.00 0.00 55.06 54.43 1agb s HIS 260 Cb -0.12 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1agb s HIS 260 CO 0.04 -0.23 -0.18 0.08 -0.85 0.00 0.00 174.74 173.60 1agb s VAL 261 N 0.06 1.55 -0.06 -0.90 1.01 -0.39 -1.81 120.40 119.85 1agb s VAL 261 Ca -0.07 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1agb s VAL 261 Cb -0.14 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1agb s VAL 261 CO 0.04 0.44 -0.13 -1.10 0.00 0.00 0.00 175.10 174.35 1agb s GLN 262 N 0.28 1.76 -0.06 2.72 -0.21 -0.84 -1.36 119.66 121.95 1agb s GLN 262 Ca -0.11 -0.46 -0.21 0.00 0.02 0.00 0.00 55.36 54.61 1agb s GLN 262 Cb -0.15 -1.45 0.04 0.00 1.00 0.00 0.00 33.01 32.45 1agb s GLN 262 CO 0.04 0.06 0.47 -1.58 -2.12 0.00 0.00 175.29 172.17 1agb s HIS 263 N 0.56 -0.41 -0.43 0.91 2.46 -1.26 -2.21 115.29 114.90 1agb s HIS 263 Ca -0.13 0.75 0.22 0.00 0.47 0.00 0.00 55.06 56.37 1agb s HIS 263 Cb -0.15 0.22 1.00 0.00 -0.13 0.00 0.00 32.58 33.52 1agb s HIS 263 CO 0.04 -0.45 1.67 -0.85 -2.47 0.00 0.00 174.74 172.68 1agb n GLU 264 N 1.40 0.17 -0.01 2.88 0.28 -1.26 -1.66 120.64 122.44 1agb n GLU 264 Ca -0.19 0.48 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 1agb n GLU 264 Cb 0.56 -1.88 0.44 0.00 1.43 0.00 0.00 31.44 32.00 1agb n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1agb n GLY 265 N -0.41 0.20 3.60 -1.84 0.00 -1.26 -4.80 105.19 100.68 1agb n GLY 265 Ca 0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1agb n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1agb s LEU 266 N -1.95 3.81 0.16 0.99 1.43 -0.66 -4.38 118.68 118.06 1agb s LEU 266 Ca 0.36 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 1agb s LEU 266 Cb 0.21 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.48 1agb s LEU 266 CO 0.32 0.10 1.71 1.55 0.23 0.00 0.00 176.35 180.27 1agb h PRO 267 N 7.22 0.77 -4.60 1.29 0.13 -1.87 -3.44 132.00 131.50 1agb h PRO 267 Ca -0.37 -0.14 -0.36 0.00 -0.87 0.00 0.00 66.00 64.26 1agb h PRO 267 Cb 1.17 -0.13 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 1agb h PRO 267 CO 0.66 0.67 -0.77 0.15 -0.23 0.00 0.00 178.00 178.49 1agb s LYS 268 N -5.56 0.62 0.61 0.86 1.02 -1.26 -5.14 119.74 110.89 1agb s LYS 268 Ca -0.13 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 1agb s LYS 268 Cb 0.12 -0.59 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 1agb s LYS 268 CO 0.78 0.16 1.32 -1.25 -0.92 0.00 0.00 175.35 175.44 1agb s PRO 269 N -0.30 2.75 0.15 -1.68 0.04 -1.26 -5.00 135.00 129.71 1agb s PRO 269 Ca 0.02 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1agb s PRO 269 Cb -0.04 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1agb s PRO 269 CO -0.00 -1.46 0.26 -0.51 0.04 0.00 0.00 177.00 175.33 1agb s LEU 270 N -4.07 4.25 -0.05 -3.56 1.43 -0.46 -4.93 118.68 111.29 1agb s LEU 270 Ca 0.79 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1agb s LEU 270 Cb -0.39 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1agb s LEU 270 CO 0.43 0.05 -0.08 -0.89 0.23 0.00 0.00 176.35 176.09 1agb s THR 271 N -1.75 0.79 0.06 5.49 2.01 -1.26 -1.26 115.64 119.73 1agb s THR 271 Ca 0.34 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1agb s THR 271 Cb -0.11 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1agb s THR 271 CO 0.28 0.28 0.02 -0.76 -0.69 0.00 0.00 174.62 173.75 1agb s LEU 272 N 0.77 2.22 0.19 4.42 1.02 -0.23 -4.95 118.68 122.12 1agb s LEU 272 Ca -0.13 -0.93 -0.07 0.00 0.02 0.00 0.00 54.13 53.02 1agb s LEU 272 Cb -0.15 0.39 -0.02 0.00 0.02 0.00 0.00 46.19 46.44 1agb s LEU 272 CO 0.02 -0.64 0.27 0.00 0.02 0.00 0.00 176.35 176.03 1agb s ARG 273 N -3.91 1.25 0.11 1.70 1.70 -1.26 -0.17 118.95 118.37 1agb s ARG 273 Ca 0.07 -1.34 -0.31 0.00 -0.47 0.00 0.00 55.73 53.68 1agb s ARG 273 Cb 0.07 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 1agb s ARG 273 CO -0.10 -0.46 1.54 -0.46 -1.08 0.00 0.00 175.30 174.75 1agb s TRP 274 N -4.04 2.90 -0.46 5.89 -0.00 -1.26 -4.72 118.94 117.25 1agb s TRP 274 Ca 0.25 0.62 -0.02 0.00 -0.00 0.00 0.00 56.10 56.95 1agb s TRP 274 Cb 0.04 -3.86 0.12 0.00 -0.00 0.00 0.00 33.47 29.77 1agb s TRP 274 CO 0.06 -3.24 0.25 -1.21 -0.00 0.00 0.00 176.95 172.81 1agb s GLU 275 N 1.66 2.10 0.00 5.86 2.02 -1.26 -4.97 118.70 124.11 1agb s GLU 275 Ca 0.69 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1agb s GLU 275 Cb -0.40 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.25 1agb s GLU 275 CO 0.31 -1.09 0.34 -2.30 0.02 0.00 0.00 175.26 172.54