#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9e h SER 2 N 0.00 0.17 -4.82 1.61 0.02 -1.78 -3.46 113.55 105.30 1a9e h SER 2 Ca 0.00 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 1a9e h SER 2 Cb 0.00 -0.05 -0.21 0.00 0.14 0.00 0.00 62.40 62.28 1a9e h SER 2 CO 0.00 0.79 -0.24 -1.00 -1.14 0.00 0.00 176.83 175.24 1a9e s HIS 3 N -3.58 -0.25 0.04 3.45 4.02 -1.25 -5.04 115.29 112.67 1a9e s HIS 3 Ca -0.03 0.44 -0.01 0.00 1.02 0.00 0.00 55.06 56.48 1a9e s HIS 3 Cb 0.12 0.13 -0.03 0.00 -1.02 0.00 0.00 32.58 31.78 1a9e s HIS 3 CO 0.79 -0.38 -0.01 -1.12 1.02 0.00 0.00 174.74 175.05 1a9e s SER 4 N -1.08 0.37 -0.04 1.40 0.01 -1.26 -0.91 113.70 112.19 1a9e s SER 4 Ca -0.11 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.39 1a9e s SER 4 Cb -0.04 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1a9e s SER 4 CO 0.04 -0.51 -0.12 -0.32 0.41 0.00 0.00 173.24 172.74 1a9e s MET 5 N -3.07 1.32 0.02 12.44 0.00 -0.91 -0.38 119.30 128.72 1a9e s MET 5 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 55.69 55.26 1a9e s MET 5 Cb 0.02 -1.18 -0.02 0.00 0.00 0.00 0.00 34.83 33.65 1a9e s MET 5 CO -0.07 0.15 -0.04 1.03 0.00 0.00 0.00 175.02 176.10 1a9e s ARG 6 N 0.18 0.35 -0.06 4.11 1.81 0.06 -2.00 118.95 123.40 1a9e s ARG 6 Ca -0.04 -0.64 0.04 0.00 -1.72 0.00 0.00 55.73 53.36 1a9e s ARG 6 Cb -0.10 0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.45 1a9e s ARG 6 CO 0.01 -0.03 -0.17 0.71 -0.68 0.00 0.00 175.30 175.14 1a9e s TYR 7 N -1.49 1.77 -0.24 -0.53 2.02 -0.26 -0.47 117.35 118.16 1a9e s TYR 7 Ca -0.15 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 1a9e s TYR 7 Cb -0.10 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1a9e s TYR 7 CO -0.01 -0.24 -0.09 -0.06 -1.57 0.00 0.00 175.55 173.58 1a9e s PHE 8 N 0.29 3.04 -0.13 2.71 0.08 -0.46 -2.35 117.98 121.16 1a9e s PHE 8 Ca -0.10 -1.63 -0.04 0.00 0.12 0.00 0.00 56.93 55.28 1a9e s PHE 8 Cb -0.14 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1a9e s PHE 8 CO 0.04 -0.75 0.00 0.71 -0.10 0.00 0.00 175.22 175.12 1a9e s TYR 9 N 1.30 3.14 -0.16 0.36 1.51 0.95 -2.13 117.35 122.32 1a9e s TYR 9 Ca 0.00 -0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1a9e s TYR 9 Cb -0.16 -1.91 0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1a9e s TYR 9 CO -0.06 0.23 -0.00 0.99 -1.11 0.00 0.00 175.55 175.60 1a9e s THR 10 N -0.17 0.70 -0.17 -0.71 2.01 -0.38 -0.81 115.64 116.12 1a9e s THR 10 Ca 0.05 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1a9e s THR 10 Cb -0.13 -1.03 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 1a9e s THR 10 CO 0.02 -0.01 -0.12 0.00 -0.69 0.00 0.00 174.62 173.82 1a9e s ALA 11 N 1.80 2.59 -0.06 7.40 0.00 0.01 -1.30 121.76 132.21 1a9e s ALA 11 Ca 0.01 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1a9e s ALA 11 Cb -0.16 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1a9e s ALA 11 CO -0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 175.76 175.46 1a9e s MET 12 N 1.00 1.19 0.41 0.00 0.23 -0.28 -0.63 119.30 121.22 1a9e s MET 12 Ca -0.01 -0.23 -0.11 0.00 -1.03 0.00 0.00 55.69 54.31 1a9e s MET 12 Cb -0.15 -1.09 -0.06 0.00 -1.53 0.00 0.00 34.83 32.00 1a9e s MET 12 CO -0.02 -0.05 0.78 -1.54 -2.03 0.00 0.00 175.02 172.16 1a9e s SER 13 N 0.87 6.52 -0.47 -1.18 1.04 -0.36 -0.75 113.70 119.37 1a9e s SER 13 Ca -0.11 1.14 0.06 0.00 0.48 0.00 0.00 55.95 57.52 1a9e s SER 13 Cb -0.15 -2.33 0.18 0.00 0.10 0.00 0.00 66.02 63.83 1a9e s SER 13 CO 0.01 -0.41 0.56 -2.11 0.98 0.00 0.00 173.24 172.27 1a9e n ARG 14 N -1.33 0.39 -1.51 4.02 1.85 -1.26 -3.69 116.66 115.13 1a9e n ARG 14 Ca 0.02 -2.54 -0.51 0.00 -1.00 0.00 0.00 57.85 53.82 1a9e n ARG 14 Cb 0.54 -1.55 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 1a9e n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1a9e n PRO 15 N 2.84 0.54 0.00 2.89 -0.02 -1.26 -1.80 135.00 138.19 1a9e n PRO 15 Ca 0.23 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1a9e n PRO 15 Cb 0.53 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1a9e n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a9e n GLY 16 N 1.85 1.23 0.21 -1.23 0.00 -1.26 -4.65 105.19 101.34 1a9e n GLY 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1a9e n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a9e h ARG 17 N 0.00 0.21 0.00 1.61 3.08 -1.81 -3.49 114.38 113.99 1a9e h ARG 17 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1a9e h ARG 17 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1a9e h ARG 17 CO 0.00 0.50 0.00 0.41 -1.07 0.00 0.00 179.97 179.81 1a9e n GLY 18 N -0.47 -1.53 3.82 0.04 0.00 -1.05 -5.10 105.19 100.90 1a9e n GLY 18 Ca -0.01 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 1a9e n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9e s GLU 19 N -1.95 3.25 0.47 1.61 1.03 -1.26 -4.32 118.70 117.53 1a9e s GLU 19 Ca 0.00 1.00 -0.21 0.00 0.03 0.00 0.00 54.97 55.80 1a9e s GLU 19 Cb 0.00 -2.03 -0.12 0.00 -0.80 0.00 0.00 34.13 31.18 1a9e s GLU 19 CO 0.00 -0.85 0.44 -2.30 -1.33 0.00 0.00 175.26 171.22 1a9e n PRO 20 N -2.57 0.46 -4.06 -4.83 -0.02 -1.26 -4.75 135.00 117.96 1a9e n PRO 20 Ca 0.08 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 1a9e n PRO 20 Cb 0.53 -1.47 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 1a9e n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1a9e s ARG 21 N -1.61 3.12 -0.06 -0.52 3.52 0.07 -4.94 118.95 118.54 1a9e s ARG 21 Ca 0.64 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 1a9e s ARG 21 Cb -0.55 -2.90 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1a9e s ARG 21 CO 0.58 0.65 -0.07 0.12 -0.81 0.00 0.00 175.30 175.77 1a9e s PHE 22 N -1.24 1.07 0.00 5.12 5.36 -1.26 -1.12 117.98 125.92 1a9e s PHE 22 Ca 0.24 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.88 1a9e s PHE 22 Cb -0.12 -0.88 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1a9e s PHE 22 CO 0.16 -0.27 -0.14 0.42 -1.46 0.00 0.00 175.22 173.92 1a9e s ILE 23 N 1.01 1.14 -0.04 3.12 1.01 -0.42 -1.09 121.20 125.93 1a9e s ILE 23 Ca -0.09 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1a9e s ILE 23 Cb -0.14 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.37 1a9e s ILE 23 CO -0.00 0.24 0.10 0.00 0.00 0.00 0.00 174.94 175.27 1a9e s ALA 24 N -0.47 -0.19 0.04 9.38 0.00 -0.30 -1.25 121.76 128.97 1a9e s ALA 24 Ca 0.05 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1a9e s ALA 24 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1a9e s ALA 24 CO -0.00 -0.08 -0.10 0.14 0.00 0.00 0.00 175.76 175.72 1a9e s VAL 25 N 0.48 0.77 0.03 0.00 -7.23 -0.91 -0.90 120.40 112.65 1a9e s VAL 25 Ca -0.04 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 1a9e s VAL 25 Cb -0.05 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1a9e s VAL 25 CO -0.02 -0.16 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.55 1a9e s GLY 26 N -1.22 1.45 0.01 2.32 0.00 -0.84 -1.35 107.32 107.69 1a9e s GLY 26 Ca -0.03 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.50 1a9e s GLY 26 CO 0.01 -1.09 -0.10 -0.19 0.00 0.00 0.00 173.10 171.72 1a9e s TYR 27 N -0.82 0.90 -0.31 1.90 1.51 0.38 -1.13 117.35 119.79 1a9e s TYR 27 Ca 0.12 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1a9e s TYR 27 Cb -0.10 -0.56 0.08 0.00 -0.11 0.00 0.00 41.96 41.27 1a9e s TYR 27 CO 0.03 -0.01 0.00 0.08 -1.11 0.00 0.00 175.55 174.54 1a9e s VAL 28 N -0.57 2.36 0.00 0.71 1.01 -0.07 -0.76 120.40 123.08 1a9e s VAL 28 Ca 0.01 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.97 1a9e s VAL 28 Cb -0.06 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1a9e s VAL 28 CO 0.00 -0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.20 1a9e n ASP 29 N 4.36 0.00 -1.22 3.32 8.00 0.49 -1.58 116.55 129.92 1a9e n ASP 29 Ca -0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.56 1a9e n ASP 29 Cb 0.42 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.81 1a9e n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1a9e n ASP 30 N 7.37 3.56 -4.44 -2.24 8.00 -1.26 -4.87 116.55 122.66 1a9e n ASP 30 Ca 0.00 -2.09 -0.35 0.00 0.71 0.00 0.00 54.79 53.06 1a9e n ASP 30 Cb 0.00 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.53 1a9e n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9e s THR 31 N -1.31 3.99 0.20 -3.53 2.01 -0.61 -5.04 115.64 111.34 1a9e s THR 31 Ca 0.43 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 1a9e s THR 31 Cb 0.23 -2.81 -0.08 0.00 0.01 0.00 0.00 72.50 69.85 1a9e s THR 31 CO 0.27 0.42 0.88 -1.58 -0.69 0.00 0.00 174.62 173.92 1a9e s GLN 32 N 1.10 4.74 0.00 4.92 0.74 -1.26 -0.89 119.66 129.00 1a9e s GLN 32 Ca 0.03 1.36 0.00 0.00 0.05 0.00 0.00 55.36 56.80 1a9e s GLN 32 Cb -0.14 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1a9e s GLN 32 CO 0.02 0.50 0.00 1.97 -0.55 0.00 0.00 175.29 177.23 1a9e n PHE 33 N 1.69 0.00 -3.98 1.67 -1.74 -0.28 -3.94 117.46 110.87 1a9e n PHE 33 Ca -0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.78 1a9e n PHE 33 Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 1a9e n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1a9e s VAL 34 N -1.44 0.14 -0.21 1.97 -7.23 -1.25 0.21 120.40 112.59 1a9e s VAL 34 Ca 0.00 -1.50 -0.19 0.00 -1.81 0.00 0.00 61.98 58.48 1a9e s VAL 34 Cb 0.00 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.40 1a9e s VAL 34 CO 0.00 -0.64 0.55 -0.60 -0.31 0.00 0.00 175.10 174.10 1a9e s ARG 35 N -3.93 0.64 -0.02 4.82 3.00 -0.64 -1.99 118.95 120.84 1a9e s ARG 35 Ca 0.11 0.77 0.01 0.00 -1.00 0.00 0.00 55.73 55.61 1a9e s ARG 35 Cb 0.06 0.31 0.02 0.00 0.00 0.00 0.00 34.95 35.34 1a9e s ARG 35 CO -0.07 -0.08 -0.01 0.12 0.00 0.00 0.00 175.30 175.27 1a9e s PHE 36 N 0.31 0.30 -0.15 5.12 5.36 -0.08 -1.05 117.98 127.79 1a9e s PHE 36 Ca -0.00 -0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 55.91 1a9e s PHE 36 Cb -0.04 -0.33 0.05 0.00 -0.34 0.00 0.00 43.02 42.37 1a9e s PHE 36 CO 0.01 -0.09 0.08 0.34 -1.46 0.00 0.00 175.22 174.09 1a9e s ASP 37 N 0.66 2.20 -1.39 6.13 2.15 -1.26 -1.15 116.67 124.02 1a9e s ASP 37 Ca -0.07 -0.51 -0.10 0.00 0.43 0.00 0.00 52.55 52.30 1a9e s ASP 37 Cb -0.10 -0.27 -0.07 0.00 -0.30 0.00 0.00 42.92 42.18 1a9e s ASP 37 CO -0.01 -0.32 2.61 -1.54 -0.17 0.00 0.00 175.17 175.74 1a9e n SER 38 N 5.25 6.91 0.00 -0.34 3.41 -0.25 -1.83 113.62 126.78 1a9e n SER 38 Ca -0.07 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1a9e n SER 38 Cb 0.49 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1a9e n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a9e n ASP 39 N 4.24 0.00 -4.72 4.04 9.92 -1.26 -4.49 116.55 124.27 1a9e n ASP 39 Ca 0.66 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.61 1a9e n ASP 39 Cb 0.23 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.84 1a9e n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a9e s ALA 40 N 0.00 1.84 0.19 2.24 0.00 -0.76 -4.90 121.76 120.37 1a9e s ALA 40 Ca 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 1a9e s ALA 40 Cb 0.00 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.87 1a9e s ALA 40 CO 0.00 -2.24 1.47 0.00 0.00 0.00 0.00 175.76 174.99 1a9e n ALA 41 N -3.86 -0.36 -4.01 0.00 0.00 -1.26 -3.57 120.51 107.45 1a9e n ALA 41 Ca 0.10 0.88 -0.31 0.00 0.00 0.00 0.00 53.44 54.11 1a9e n ALA 41 Cb 0.53 -0.28 -0.15 0.00 0.00 0.00 0.00 19.45 19.55 1a9e n ALA 41 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a9e s SER 42 N -5.41 4.34 -0.49 0.00 1.04 -1.26 -5.06 113.70 106.85 1a9e s SER 42 Ca -0.12 -1.51 -0.27 0.00 0.48 0.00 0.00 55.95 54.53 1a9e s SER 42 Cb 0.15 -1.44 -0.08 0.00 0.10 0.00 0.00 66.02 64.75 1a9e s SER 42 CO 0.64 -0.25 2.41 -0.81 0.98 0.00 0.00 173.24 176.20 1a9e n PRO 43 N 4.48 1.07 -3.68 4.02 -0.04 -1.23 -4.88 135.00 134.73 1a9e n PRO 43 Ca -0.09 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 1a9e n PRO 43 Cb 0.43 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 1a9e n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1a9e s ARG 44 N 8.04 0.95 -0.02 0.54 1.70 -1.26 -5.02 118.95 123.87 1a9e s ARG 44 Ca 1.02 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 55.43 1a9e s ARG 44 Cb -0.31 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1a9e s ARG 44 CO 0.30 -0.34 1.17 0.99 -1.08 0.00 0.00 175.30 176.34 1a9e s THR 45 N -3.05 4.28 0.08 4.99 2.01 -1.26 -4.49 115.64 118.20 1a9e s THR 45 Ca -0.02 1.62 0.09 0.00 0.31 0.00 0.00 61.69 63.69 1a9e s THR 45 Cb 0.01 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1a9e s THR 45 CO -0.07 0.05 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.07 1a9e s GLU 46 N 1.77 1.75 0.37 4.92 2.02 -0.21 -4.97 118.70 124.36 1a9e s GLU 46 Ca 0.56 -1.16 -0.24 0.00 0.02 0.00 0.00 54.97 54.15 1a9e s GLU 46 Cb -0.25 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.85 1a9e s GLU 46 CO 0.24 0.50 0.96 -1.25 0.02 0.00 0.00 175.26 175.73 1a9e s PRO 47 N -1.64 4.40 0.00 0.39 0.04 -1.26 -1.61 135.00 135.31 1a9e s PRO 47 Ca 0.14 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1a9e s PRO 47 Cb -0.10 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1a9e s PRO 47 CO 0.05 0.11 0.21 0.54 0.04 0.00 0.00 177.00 177.95 1a9e n ARG 48 N 0.01 1.96 -4.18 4.56 5.12 0.13 -4.88 116.66 119.38 1a9e n ARG 48 Ca 0.04 -0.21 -0.18 0.00 -1.93 0.00 0.00 57.85 55.58 1a9e n ARG 48 Cb 0.52 -0.65 -0.12 0.00 -1.16 0.00 0.00 32.46 31.05 1a9e n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a9e s ALA 49 N -0.34 1.22 0.20 7.54 0.00 -1.24 -4.74 121.76 124.40 1a9e s ALA 49 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1a9e s ALA 49 Cb 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.15 1a9e s ALA 49 CO 0.00 0.14 1.66 -1.00 0.00 0.00 0.00 175.76 176.56 1a9e h PRO 50 N 4.12 1.02 0.00 0.00 0.13 -1.94 -3.19 132.00 132.13 1a9e h PRO 50 Ca -0.40 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1a9e h PRO 50 Cb 1.19 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1a9e h PRO 50 CO 0.43 1.01 0.00 0.11 -0.23 0.00 0.00 178.00 179.32 1a9e h TRP 51 N 0.93 0.00 0.00 1.56 5.08 -1.97 -1.94 115.95 119.61 1a9e h TRP 51 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 1a9e h TRP 51 Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1a9e h TRP 51 CO 0.04 0.00 -0.25 1.51 -1.28 0.00 0.00 178.44 178.46 1a9e n ILE 52 N -3.06 0.03 0.32 0.12 0.13 -1.21 -3.61 119.36 112.09 1a9e n ILE 52 Ca -0.02 -0.02 0.14 0.00 -1.10 0.00 0.00 62.75 61.75 1a9e n ILE 52 Cb 0.15 -0.15 0.44 0.00 -0.84 0.00 0.00 39.64 39.24 1a9e n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a9e h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.49 -3.11 114.58 124.57 1a9e h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a9e h GLU 53 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1a9e h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1a9e n GLN 54 N -2.86 0.81 -3.52 2.33 10.64 -1.24 -4.76 117.38 118.78 1a9e n GLN 54 Ca 0.03 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.83 1a9e n GLN 54 Cb 0.39 -1.02 -0.06 0.00 -0.86 0.00 0.00 30.24 28.69 1a9e n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1a9e s GLU 55 N -2.00 3.87 0.91 2.61 0.41 -1.18 -5.08 118.70 118.24 1a9e s GLU 55 Ca 0.02 0.35 -0.12 0.00 -0.41 0.00 0.00 54.97 54.81 1a9e s GLU 55 Cb 0.01 -3.15 0.14 0.00 -1.78 0.00 0.00 34.13 29.34 1a9e s GLU 55 CO 0.01 0.65 1.12 0.20 -0.49 0.00 0.00 175.26 176.75 1a9e s GLY 56 N -1.28 1.58 0.32 -1.39 0.00 -1.26 -4.89 107.32 100.40 1a9e s GLY 56 Ca 0.27 -0.40 0.09 0.00 0.00 0.00 0.00 44.72 44.68 1a9e s GLY 56 CO 0.15 0.14 1.69 -2.55 0.00 0.00 0.00 173.10 172.53 1a9e h PRO 57 N -1.52 0.40 -0.52 2.90 0.11 -1.98 -0.89 132.00 130.51 1a9e h PRO 57 Ca -0.51 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.68 1a9e h PRO 57 Cb 1.32 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1a9e h PRO 57 CO 0.60 0.26 0.01 1.49 -0.21 0.00 0.00 178.00 180.15 1a9e h GLU 58 N 0.41 0.13 -0.04 1.05 4.22 -1.99 -0.03 114.58 118.32 1a9e h GLU 58 Ca 0.65 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 60.11 1a9e h GLU 58 Cb 1.34 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1a9e h GLU 58 CO -0.56 0.08 -0.14 -0.92 -2.18 0.00 0.00 179.01 175.29 1a9e h TYR 59 N 0.13 -0.37 -0.19 0.92 3.20 -1.51 0.03 116.97 119.18 1a9e h TYR 59 Ca 0.26 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1a9e h TYR 59 Cb 0.40 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1a9e h TYR 59 CO -0.31 -0.21 0.11 -1.49 -1.64 0.00 0.00 178.16 174.61 1a9e h TRP 60 N -0.22 0.25 -0.87 -3.82 4.06 -1.44 -1.48 115.95 112.42 1a9e h TRP 60 Ca 0.06 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.06 1a9e h TRP 60 Cb 0.31 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.33 1a9e h TRP 60 CO -0.22 0.21 0.55 0.22 -3.56 0.00 0.00 178.44 175.64 1a9e h ASP 61 N 0.21 0.89 -0.09 -3.49 3.58 -0.80 -0.29 116.42 116.44 1a9e h ASP 61 Ca 0.07 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.53 1a9e h ASP 61 Cb 0.04 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1a9e h ASP 61 CO -0.01 0.59 0.02 -0.09 -2.88 0.00 0.00 179.24 176.87 1a9e h ARG 62 N 1.04 0.06 -0.32 0.28 2.43 -0.56 -0.63 114.38 116.68 1a9e h ARG 62 Ca 0.37 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1a9e h ARG 62 Cb 0.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1a9e h ARG 62 CO -0.15 0.04 0.15 -0.91 -1.51 0.00 0.00 179.97 177.59 1a9e h ASN 63 N 0.06 0.43 -0.96 -3.80 2.35 -0.73 -2.30 115.58 110.63 1a9e h ASN 63 Ca 0.04 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1a9e h ASN 63 Cb 0.03 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1a9e h ASN 63 CO -0.05 0.45 0.63 0.74 -1.65 0.00 0.00 177.43 177.55 1a9e h THR 64 N 0.38 1.22 -0.28 2.81 2.02 -0.87 -0.60 112.91 117.58 1a9e h THR 64 Ca 0.11 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1a9e h THR 64 Cb 0.14 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1a9e h THR 64 CO -0.01 0.23 0.10 1.56 0.37 0.00 0.00 175.52 177.77 1a9e h GLN 65 N 1.27 0.44 -0.10 6.66 1.08 -0.93 -0.05 115.11 123.46 1a9e h GLN 65 Ca 0.36 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1a9e h GLN 65 Cb -0.10 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1a9e h GLN 65 CO -0.09 0.48 -0.01 0.82 -0.95 0.00 0.00 178.83 179.08 1a9e h ILE 66 N 0.30 0.91 -0.56 2.54 2.04 -1.00 -2.30 117.51 119.44 1a9e h ILE 66 Ca 0.09 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1a9e h ILE 66 Cb 0.22 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1a9e h ILE 66 CO -0.00 0.00 0.12 -0.26 0.00 0.00 0.00 178.15 178.01 1a9e h PHE 67 N 0.02 0.96 -0.88 1.37 0.04 -1.00 0.11 116.94 117.56 1a9e h PHE 67 Ca 0.05 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1a9e h PHE 67 Cb 0.07 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 1a9e h PHE 67 CO -0.14 0.83 0.58 0.87 -0.60 0.00 0.00 178.31 179.85 1a9e h LYS 68 N 0.81 1.11 -0.12 1.51 1.57 -0.90 0.16 116.57 120.71 1a9e h LYS 68 Ca 0.18 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1a9e h LYS 68 Cb 0.37 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1a9e h LYS 68 CO 0.00 0.73 0.01 1.15 -0.57 0.00 0.00 179.45 180.77 1a9e h THR 69 N 1.14 1.24 -0.98 -0.16 2.02 -1.16 -2.95 112.91 112.07 1a9e h THR 69 Ca 0.34 -0.78 0.13 0.00 0.77 0.00 0.00 66.41 66.86 1a9e h THR 69 Cb -0.05 1.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.80 1a9e h THR 69 CO -0.10 0.23 0.60 0.78 0.37 0.00 0.00 175.52 177.40 1a9e h ASN 70 N -0.05 0.87 -0.87 4.18 2.35 -0.26 0.13 115.58 121.93 1a9e h ASN 70 Ca 0.04 0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.96 1a9e h ASN 70 Cb 0.34 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.53 1a9e h ASN 70 CO 0.01 0.45 0.56 0.74 -1.65 0.00 0.00 177.43 177.53 1a9e h THR 71 N 0.93 0.91 0.11 2.81 2.02 -0.53 0.83 112.91 119.99 1a9e h THR 71 Ca 0.49 -0.26 -0.30 0.00 0.77 0.00 0.00 66.41 67.11 1a9e h THR 71 Cb 0.52 0.07 0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1a9e h THR 71 CO -0.28 0.14 -1.24 1.56 0.37 0.00 0.00 175.52 176.08 1a9e h GLN 72 N 0.77 0.64 -0.79 6.66 4.20 -0.71 -2.86 115.11 123.02 1a9e h GLN 72 Ca 0.42 -0.84 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1a9e h GLN 72 Cb 0.55 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1a9e h GLN 72 CO -0.18 1.38 0.51 1.15 -0.67 0.00 0.00 178.83 181.02 1a9e h THR 73 N 0.29 1.21 -0.20 -0.54 2.02 -0.20 -2.60 112.91 112.89 1a9e h THR 73 Ca -0.19 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 1a9e h THR 73 Cb 1.91 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1a9e h THR 73 CO 0.24 0.21 -0.37 1.88 0.37 0.00 0.00 175.52 177.85 1a9e h TYR 74 N 1.07 0.52 -0.79 3.16 -1.99 -0.93 -1.34 116.97 116.68 1a9e h TYR 74 Ca 0.29 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1a9e h TYR 74 Cb -0.10 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.48 1a9e h TYR 74 CO -0.01 0.76 0.46 0.00 -0.00 0.00 0.00 178.16 179.37 1a9e h ARG 75 N 0.38 1.08 -0.53 4.88 3.08 -1.23 0.57 114.38 122.61 1a9e h ARG 75 Ca 0.04 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1a9e h ARG 75 Cb 0.82 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1a9e h ARG 75 CO 0.07 0.77 -0.04 1.49 -1.07 0.00 0.00 179.97 181.19 1a9e h GLU 76 N 1.09 0.96 -0.43 0.04 4.81 -1.25 -2.85 114.58 116.96 1a9e h GLU 76 Ca 0.28 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1a9e h GLU 76 Cb -0.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1a9e h GLU 76 CO -0.05 0.99 0.25 0.77 -0.73 0.00 0.00 179.01 180.25 1a9e h SER 77 N 0.84 0.41 -0.19 1.04 0.02 -0.26 -0.85 113.55 114.56 1a9e h SER 77 Ca 0.15 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1a9e h SER 77 Cb 0.59 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1a9e h SER 77 CO 0.04 0.30 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.95 1a9e h LEU 78 N 0.51 -0.08 -0.77 5.07 3.38 -0.86 -0.46 115.31 122.11 1a9e h LEU 78 Ca 0.17 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1a9e h LEU 78 Cb 0.00 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1a9e h LEU 78 CO -0.07 -0.01 0.48 -0.09 0.09 0.00 0.00 178.44 178.83 1a9e h ARG 79 N 0.06 0.89 -0.45 1.13 2.43 -1.26 -0.58 114.38 116.60 1a9e h ARG 79 Ca 0.09 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1a9e h ARG 79 Cb 0.11 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1a9e h ARG 79 CO -0.15 0.59 0.24 -0.91 -1.51 0.00 0.00 179.97 178.23 1a9e h ASN 80 N 0.92 0.57 -0.39 -3.80 4.21 -0.57 -2.32 115.58 114.20 1a9e h ASN 80 Ca 0.31 -0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.69 1a9e h ASN 80 Cb 0.05 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1a9e h ASN 80 CO -0.13 0.50 0.09 -0.07 -1.29 0.00 0.00 177.43 176.53 1a9e h LEU 81 N 0.59 0.60 -0.85 1.61 3.38 -0.61 -2.08 115.31 117.95 1a9e h LEU 81 Ca 0.16 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1a9e h LEU 81 Cb 0.06 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 1a9e h LEU 81 CO -0.02 0.68 0.46 -0.09 0.09 0.00 0.00 178.44 179.56 1a9e h ARG 82 N 0.49 0.68 -0.46 1.13 2.43 -0.96 -0.73 114.38 116.96 1a9e h ARG 82 Ca 0.12 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1a9e h ARG 82 Cb 0.32 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1a9e h ARG 82 CO 0.00 0.45 0.08 0.78 -1.51 0.00 0.00 179.97 179.77 1a9e h GLY 83 N 0.70 0.81 0.78 2.80 0.00 -1.10 -0.65 103.07 106.41 1a9e h GLY 83 Ca 0.45 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 47.28 1a9e h GLY 83 CO -0.32 0.50 0.34 -0.97 0.00 0.00 0.00 176.54 176.09 1a9e h TYR 84 N 0.62 0.64 -0.12 5.60 0.05 -0.47 -2.65 116.97 120.63 1a9e h TYR 84 Ca 0.14 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1a9e h TYR 84 Cb 0.37 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1a9e h TYR 84 CO 0.03 0.33 0.00 0.66 -1.05 0.00 0.00 178.16 178.13 1a9e n TYR 85 N -4.79 0.14 -3.55 4.88 4.01 -0.65 -4.95 117.16 112.26 1a9e n TYR 85 Ca 0.06 -0.07 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1a9e n TYR 85 Cb 0.12 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1a9e n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1a9e n ASN 86 N 0.13 -2.54 -4.90 7.72 3.02 -0.77 -4.99 115.26 112.93 1a9e n ASN 86 Ca 0.17 -0.67 -0.32 0.00 -0.03 0.00 0.00 54.58 53.73 1a9e n ASN 86 Cb 0.30 -4.77 -0.05 0.00 -0.61 0.00 0.00 39.78 34.65 1a9e n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1a9e s GLN 87 N -5.72 3.53 0.37 3.52 -0.21 -0.32 -5.05 119.66 115.79 1a9e s GLN 87 Ca 0.12 -0.23 -0.26 0.00 0.02 0.00 0.00 55.36 55.00 1a9e s GLN 87 Cb -0.05 -2.99 -0.09 0.00 1.00 0.00 0.00 33.01 30.88 1a9e s GLN 87 CO 0.76 0.57 1.16 -1.12 -2.12 0.00 0.00 175.29 174.54 1a9e s SER 88 N -2.27 6.71 0.00 5.90 0.01 -1.26 -4.80 113.70 117.99 1a9e s SER 88 Ca 0.35 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.94 1a9e s SER 88 Cb -0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1a9e s SER 88 CO 0.24 -0.54 0.68 -1.84 0.41 0.00 0.00 173.24 172.18 1a9e n GLU 89 N 0.33 0.78 -0.00 12.44 0.28 -1.26 -2.67 120.64 130.54 1a9e n GLU 89 Ca 0.03 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.13 1a9e n GLU 89 Cb 0.46 -1.10 -0.11 0.00 1.43 0.00 0.00 31.44 32.12 1a9e n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a9e n ALA 90 N -0.35 4.29 -2.82 -1.84 0.00 -1.26 -4.68 120.51 113.85 1a9e n ALA 90 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 1a9e n ALA 90 Cb 0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1a9e n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a9e s GLY 91 N -3.33 2.07 0.29 0.00 0.00 -1.09 -4.77 107.32 100.50 1a9e s GLY 91 Ca 0.05 -0.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.69 1a9e s GLY 91 CO 0.87 -0.64 0.99 -0.45 0.00 0.00 0.00 173.10 173.88 1a9e s SER 92 N -1.58 7.35 0.05 1.64 0.15 -1.26 -4.72 113.70 115.34 1a9e s SER 92 Ca 0.22 2.01 -0.00 0.00 0.70 0.00 0.00 55.95 58.87 1a9e s SER 92 Cb -0.12 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1a9e s SER 92 CO 0.12 -0.06 -0.04 -1.00 1.20 0.00 0.00 173.24 173.46 1a9e s HIS 93 N -1.36 0.52 -0.02 3.44 3.76 -1.24 -4.98 115.29 115.41 1a9e s HIS 93 Ca 0.47 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1a9e s HIS 93 Cb -0.25 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.08 1a9e s HIS 93 CO 0.31 -0.31 -0.07 0.42 -0.85 0.00 0.00 174.74 174.24 1a9e s ILE 94 N -3.35 0.63 -0.11 0.60 1.01 -1.26 -1.23 121.20 117.49 1a9e s ILE 94 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1a9e s ILE 94 Cb 0.04 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 1a9e s ILE 94 CO -0.07 0.21 -0.17 -0.63 0.00 0.00 0.00 174.94 174.27 1a9e s ILE 95 N 0.25 2.66 -0.03 2.92 1.01 0.19 -0.85 121.20 127.35 1a9e s ILE 95 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1a9e s ILE 95 Cb -0.08 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1a9e s ILE 95 CO 0.00 0.54 -0.21 -1.10 0.00 0.00 0.00 174.94 174.18 1a9e s GLN 96 N 0.30 1.86 -0.01 2.79 -0.21 -0.21 -0.81 119.66 123.38 1a9e s GLN 96 Ca -0.13 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.53 1a9e s GLN 96 Cb -0.17 -1.71 -0.01 0.00 1.00 0.00 0.00 33.01 32.13 1a9e s GLN 96 CO 0.07 0.39 -0.07 0.50 -2.12 0.00 0.00 175.29 174.06 1a9e s ARG 97 N -0.30 0.55 -0.01 2.91 3.52 0.01 -0.67 118.95 124.96 1a9e s ARG 97 Ca 0.03 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 1a9e s ARG 97 Cb -0.10 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 1a9e s ARG 97 CO 0.01 0.14 -0.06 1.41 -0.81 0.00 0.00 175.30 175.99 1a9e s MET 98 N -0.16 0.55 0.17 5.12 -2.45 -0.35 -0.03 119.30 122.15 1a9e s MET 98 Ca 0.03 -0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.11 1a9e s MET 98 Cb -0.03 -0.54 0.02 0.00 1.25 0.00 0.00 34.83 35.53 1a9e s MET 98 CO -0.00 0.09 0.45 1.52 1.05 0.00 0.00 175.02 178.13 1a9e s TYR 99 N 0.05 -0.07 -2.16 4.11 -0.85 -0.99 -0.83 117.35 116.61 1a9e s TYR 99 Ca -0.00 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1a9e s TYR 99 Cb -0.05 0.28 0.00 0.00 0.38 0.00 0.00 41.96 42.58 1a9e s TYR 99 CO -0.00 -0.82 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 1a9e n GLY 100 N -0.28 -1.83 3.06 5.49 0.00 -0.81 -1.10 105.19 109.71 1a9e n GLY 100 Ca -0.12 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1a9e n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9e s ASP 102 N -1.35 4.62 -0.14 0.00 1.01 0.48 -2.15 116.67 119.14 1a9e s ASP 102 Ca -0.07 -0.15 -0.20 0.00 0.71 0.00 0.00 52.55 52.84 1a9e s ASP 102 Cb -0.09 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 1a9e s ASP 102 CO 0.01 0.20 0.56 -0.22 0.21 0.00 0.00 175.17 175.93 1a9e s LEU 103 N 0.18 4.23 0.00 1.23 2.96 -0.09 0.10 118.68 127.29 1a9e s LEU 103 Ca -0.03 0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 54.71 1a9e s LEU 103 Cb -0.14 -2.82 0.06 0.00 0.50 0.00 0.00 46.19 43.79 1a9e s LEU 103 CO 0.03 -0.12 0.35 0.61 -1.32 0.00 0.00 176.35 175.91 1a9e n GLY 104 N 3.48 -0.76 0.22 7.98 0.00 0.36 -2.45 105.19 114.02 1a9e n GLY 104 Ca -0.04 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 1a9e n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a9e h PRO 105 N 0.00 0.36 0.00 1.61 0.13 -1.98 -2.85 132.00 129.28 1a9e h PRO 105 Ca -0.11 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1a9e h PRO 105 Cb 0.34 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1a9e h PRO 105 CO 0.09 0.66 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 1a9e n ASP 106 N -4.08 0.00 -0.01 1.44 5.68 -1.26 -4.86 116.55 113.47 1a9e n ASP 106 Ca -0.01 -1.89 -0.00 0.00 -0.50 0.00 0.00 54.79 52.39 1a9e n ASP 106 Cb 0.44 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1a9e n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9e n GLY 107 N 0.53 0.36 3.83 6.12 0.00 -1.07 -5.01 105.19 109.95 1a9e n GLY 107 Ca 0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1a9e n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9e s ARG 108 N -0.60 2.30 0.23 1.61 0.52 -1.26 -4.83 118.95 116.92 1a9e s ARG 108 Ca 0.00 -1.88 -0.32 0.00 -0.52 0.00 0.00 55.73 53.01 1a9e s ARG 108 Cb 0.00 -2.08 -0.12 0.00 0.52 0.00 0.00 34.95 33.27 1a9e s ARG 108 CO 0.00 -0.34 1.70 -0.11 0.02 0.00 0.00 175.30 176.58 1a9e n LEU 109 N -1.50 4.12 -0.11 2.53 7.94 -1.26 -0.48 117.00 128.24 1a9e n LEU 109 Ca -0.01 1.08 -0.23 0.00 -1.11 0.00 0.00 56.01 55.73 1a9e n LEU 109 Cb 0.64 -1.58 -0.08 0.00 0.53 0.00 0.00 43.42 42.93 1a9e n LEU 109 CO 0.42 0.20 -1.25 -0.11 -1.11 0.00 0.00 177.39 175.54 1a9e n LEU 110 N 3.56 1.55 -3.76 -1.96 0.00 0.12 -4.71 117.00 111.80 1a9e n LEU 110 Ca 0.14 0.26 -0.13 0.00 0.00 0.00 0.00 56.01 56.28 1a9e n LEU 110 Cb 0.35 -0.64 -0.10 0.00 0.00 0.00 0.00 43.42 43.04 1a9e n LEU 110 CO 0.64 0.46 0.02 -0.13 0.00 0.00 0.00 177.39 178.37 1a9e s ARG 111 N -2.40 0.54 0.06 1.96 3.00 -1.23 -4.98 118.95 115.91 1a9e s ARG 111 Ca -0.30 0.12 0.07 0.00 0.00 0.00 0.00 55.73 55.62 1a9e s ARG 111 Cb 0.12 0.25 -0.03 0.00 0.00 0.00 0.00 34.95 35.28 1a9e s ARG 111 CO 0.38 -0.12 -0.16 0.20 0.00 0.00 0.00 175.30 175.60 1a9e s GLY 112 N -0.62 1.64 0.05 -3.53 0.00 -1.26 -0.39 107.32 103.20 1a9e s GLY 112 Ca -0.07 -1.22 0.05 0.00 0.00 0.00 0.00 44.72 43.48 1a9e s GLY 112 CO 0.02 -1.13 -0.14 0.30 0.00 0.00 0.00 173.10 172.15 1a9e s HIS 113 N -1.01 1.22 -0.29 1.90 3.76 0.68 -4.90 115.29 116.65 1a9e s HIS 113 Ca 0.16 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1a9e s HIS 113 Cb -0.11 -0.71 0.19 0.00 1.11 0.00 0.00 32.58 33.06 1a9e s HIS 113 CO 0.07 0.04 0.80 0.34 -0.85 0.00 0.00 174.74 175.14 1a9e s ASP 114 N -1.26 -1.05 -0.02 1.40 2.15 -1.24 -1.93 116.67 114.71 1a9e s ASP 114 Ca 0.01 0.23 0.04 0.00 0.43 0.00 0.00 52.55 53.25 1a9e s ASP 114 Cb -0.08 1.71 -0.01 0.00 -0.30 0.00 0.00 42.92 44.24 1a9e s ASP 114 CO 0.01 -0.19 -0.12 -1.10 -0.17 0.00 0.00 175.17 173.60 1a9e s GLN 115 N 2.89 1.06 0.07 4.34 -0.21 -0.01 -0.45 119.66 127.35 1a9e s GLN 115 Ca 0.16 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.20 1a9e s GLN 115 Cb -0.08 -1.00 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 1a9e s GLN 115 CO -0.23 0.23 -0.24 -1.12 -2.12 0.00 0.00 175.29 171.82 1a9e s SER 116 N -0.17 2.90 -0.00 5.90 0.01 0.41 -1.21 113.70 121.54 1a9e s SER 116 Ca 0.03 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1a9e s SER 116 Cb -0.06 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1a9e s SER 116 CO -0.00 0.18 -0.07 0.00 0.41 0.00 0.00 173.24 173.76 1a9e s ALA 117 N -0.91 0.57 -0.18 1.44 0.00 0.16 -0.80 121.76 122.04 1a9e s ALA 117 Ca 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1a9e s ALA 117 Cb -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1a9e s ALA 117 CO 0.03 0.14 -0.11 -0.47 0.00 0.00 0.00 175.76 175.35 1a9e s TYR 118 N -0.19 2.87 -1.53 0.00 5.04 0.37 -1.04 117.35 122.87 1a9e s TYR 118 Ca 0.02 -1.00 -0.11 0.00 -2.44 0.00 0.00 57.07 53.54 1a9e s TYR 118 Cb -0.03 -1.98 0.08 0.00 0.35 0.00 0.00 41.96 40.38 1a9e s TYR 118 CO -0.00 -0.50 0.82 -0.25 -1.34 0.00 0.00 175.55 174.28 1a9e n ASP 119 N 4.35 -3.32 0.00 4.32 8.00 -0.03 -1.61 116.55 128.26 1a9e n ASP 119 Ca -0.19 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1a9e n ASP 119 Cb 0.51 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 1a9e n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a9e n GLY 120 N -1.64 1.61 3.45 0.44 0.00 -1.26 -5.04 105.19 102.75 1a9e n GLY 120 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1a9e n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9e s LYS 121 N -0.19 1.84 0.21 1.61 1.02 -0.63 -5.07 119.74 118.53 1a9e s LYS 121 Ca 0.00 -1.13 -0.32 0.00 0.02 0.00 0.00 55.97 54.55 1a9e s LYS 121 Cb 0.00 -2.10 -0.14 0.00 -0.52 0.00 0.00 37.83 35.07 1a9e s LYS 121 CO 0.00 0.50 1.28 -0.25 -0.92 0.00 0.00 175.35 175.96 1a9e n ASP 122 N 1.16 2.05 0.01 2.83 8.00 -1.26 -0.48 116.55 128.86 1a9e n ASP 122 Ca -0.16 1.14 -0.02 0.00 0.71 0.00 0.00 54.79 56.46 1a9e n ASP 122 Cb 0.52 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.29 1a9e n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a9e n TYR 123 N 1.61 0.00 -3.71 1.24 9.36 0.02 -4.70 117.16 120.99 1a9e n TYR 123 Ca 0.13 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.21 1a9e n TYR 123 Cb 0.28 -0.11 -0.08 0.00 -0.63 0.00 0.00 39.34 38.80 1a9e n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1a9e s ILE 124 N -1.99 0.03 -0.00 2.97 2.07 -1.18 -0.76 121.20 122.33 1a9e s ILE 124 Ca -0.06 -0.26 -0.08 0.00 -1.41 0.00 0.00 60.65 58.84 1a9e s ILE 124 Cb 0.01 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.92 1a9e s ILE 124 CO 0.09 -0.14 0.16 0.00 -1.91 0.00 0.00 174.94 173.15 1a9e s ALA 125 N -0.87 -0.40 0.02 1.50 0.00 -0.90 -0.44 121.76 120.67 1a9e s ALA 125 Ca -0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 1a9e s ALA 125 Cb -0.04 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1a9e s ALA 125 CO 0.04 -0.21 0.83 -1.17 0.00 0.00 0.00 175.76 175.26 1a9e s LEU 126 N -1.27 4.41 0.58 0.00 2.96 0.41 -1.16 118.68 124.61 1a9e s LEU 126 Ca -0.14 1.50 -0.16 0.00 -0.22 0.00 0.00 54.13 55.12 1a9e s LEU 126 Cb -0.07 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1a9e s LEU 126 CO 0.02 -0.09 1.05 0.20 -1.32 0.00 0.00 176.35 176.21 1a9e s ASN 127 N 0.37 5.89 0.57 3.68 0.01 0.36 -4.66 114.94 121.16 1a9e s ASN 127 Ca 0.43 1.79 0.34 0.00 -0.71 0.00 0.00 52.86 54.70 1a9e s ASN 127 Cb -0.20 -2.53 1.42 0.00 0.41 0.00 0.00 41.25 40.35 1a9e s ASN 127 CO 0.24 -1.09 1.71 -0.08 -1.51 0.00 0.00 177.10 176.37 1a9e h GLU 128 N 0.51 0.00 0.00 -0.60 4.81 -1.90 0.24 114.58 117.63 1a9e h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1a9e h GLU 128 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1a9e h GLU 128 CO 0.58 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1a9e n ASP 129 N -3.82 0.30 -1.64 1.04 5.75 -1.26 -4.86 116.55 112.06 1a9e n ASP 129 Ca 0.21 0.56 -0.17 0.00 -0.01 0.00 0.00 54.79 55.38 1a9e n ASP 129 Cb 1.20 -0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 40.61 1a9e n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1a9e n LEU 130 N -1.82 -1.52 0.00 -2.12 4.77 0.83 -4.80 117.00 112.35 1a9e n LEU 130 Ca 0.04 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1a9e n LEU 130 Cb 0.25 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 1a9e n LEU 130 CO 0.20 -0.56 0.00 -1.54 -1.33 0.00 0.00 177.39 174.15 1a9e n SER 131 N -1.05 0.00 -4.18 -1.43 3.41 -1.26 -4.58 113.62 104.53 1a9e n SER 131 Ca -0.19 -0.67 -0.11 0.00 -0.26 0.00 0.00 58.87 57.64 1a9e n SER 131 Cb 0.61 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1a9e n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a9e s SER 132 N 0.00 1.10 0.36 4.04 1.04 -1.26 -4.98 113.70 114.00 1a9e s SER 132 Ca 0.00 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.48 1a9e s SER 132 Cb 0.00 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 1a9e s SER 132 CO 0.00 -0.49 0.04 0.26 0.98 0.00 0.00 173.24 174.03 1a9e s TRP 133 N -3.65 2.56 -0.24 5.02 0.52 -1.26 -0.49 118.94 121.39 1a9e s TRP 133 Ca 0.14 -0.47 -0.02 0.00 0.02 0.00 0.00 56.10 55.76 1a9e s TRP 133 Cb 0.06 -1.59 0.08 0.00 -1.15 0.00 0.00 33.47 30.86 1a9e s TRP 133 CO -0.04 0.43 0.05 0.99 0.02 0.00 0.00 176.95 178.40 1a9e s THR 134 N -2.54 0.73 -0.06 2.01 2.01 -0.31 -4.82 115.64 112.65 1a9e s THR 134 Ca 0.36 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 1a9e s THR 134 Cb 0.01 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1a9e s THR 134 CO 0.20 -0.38 0.46 0.00 -0.69 0.00 0.00 174.62 174.21 1a9e s ALA 135 N 1.74 3.55 0.08 7.40 0.00 -1.26 -2.12 121.76 131.14 1a9e s ALA 135 Ca 0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 1a9e s ALA 135 Cb -0.17 -2.57 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 1a9e s ALA 135 CO -0.15 0.18 1.39 0.00 0.00 0.00 0.00 175.76 177.18 1a9e h ALA 136 N 5.92 0.35 -2.91 0.00 0.00 -1.23 -3.48 119.26 117.92 1a9e h ALA 136 Ca -0.45 -0.38 -0.44 0.00 0.00 0.00 0.00 54.91 53.64 1a9e h ALA 136 Cb 1.19 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1a9e h ALA 136 CO 0.70 0.33 -0.45 0.16 0.00 0.00 0.00 179.25 179.99 1a9e s ASP 137 N -6.41 1.56 0.49 0.00 -4.77 -1.26 -5.03 116.67 101.25 1a9e s ASP 137 Ca -0.13 -1.72 0.17 0.00 -3.30 0.00 0.00 52.55 47.57 1a9e s ASP 137 Cb 0.08 0.57 1.19 0.00 -1.09 0.00 0.00 42.92 43.67 1a9e s ASP 137 CO 0.80 -1.10 2.05 0.71 0.70 0.00 0.00 175.17 178.34 1a9e h THR 138 N 2.14 0.92 -0.40 2.11 1.35 -1.99 -1.35 112.91 115.69 1a9e h THR 138 Ca -0.25 -0.06 -0.08 0.00 -0.55 0.00 0.00 66.41 65.46 1a9e h THR 138 Cb 1.23 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1a9e h THR 138 CO 0.37 0.03 -0.07 0.00 -0.25 0.00 0.00 175.52 175.60 1a9e h ALA 139 N 1.82 0.54 0.00 6.62 0.00 -1.96 -2.43 119.26 123.85 1a9e h ALA 139 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1a9e h ALA 139 Cb 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a9e h ALA 139 CO -0.02 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 1a9e h ALA 140 N 0.85 1.60 0.00 0.00 0.00 -1.55 -1.17 119.26 118.98 1a9e h ALA 140 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1a9e h ALA 140 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1a9e h ALA 140 CO 0.03 0.08 -0.34 1.96 0.00 0.00 0.00 179.25 180.98 1a9e h GLN 141 N 0.00 0.00 -0.20 0.00 4.20 -0.99 -0.12 115.11 118.00 1a9e h GLN 141 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1a9e h GLN 141 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1a9e h GLN 141 CO 0.01 0.34 -0.01 0.82 -0.67 0.00 0.00 178.83 179.33 1a9e h ILE 142 N 0.00 1.26 -0.56 2.54 2.04 -1.11 -1.63 117.51 120.04 1a9e h ILE 142 Ca -0.00 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1a9e h ILE 142 Cb 0.80 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1a9e h ILE 142 CO 0.04 0.27 0.32 0.74 0.00 0.00 0.00 178.15 179.52 1a9e h THR 143 N 0.12 1.18 -0.74 -0.27 2.02 -1.42 -2.48 112.91 111.32 1a9e h THR 143 Ca 0.06 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 66.88 1a9e h THR 143 Cb 0.41 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 1a9e h THR 143 CO 0.01 0.19 0.40 -0.61 0.37 0.00 0.00 175.52 175.88 1a9e h GLN 144 N 0.75 0.66 -0.20 6.66 4.15 -0.78 -0.09 115.11 126.27 1a9e h GLN 144 Ca 0.20 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 1a9e h GLN 144 Cb 0.03 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1a9e h GLN 144 CO -0.03 0.44 0.11 0.00 -1.93 0.00 0.00 178.83 177.42 1a9e h ARG 145 N 0.68 0.28 0.28 1.69 3.08 -0.87 0.88 114.38 120.40 1a9e h ARG 145 Ca 0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1a9e h ARG 145 Cb 0.33 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1a9e h ARG 145 CO -0.25 0.26 -0.35 0.87 -1.07 0.00 0.00 179.97 179.43 1a9e h LYS 146 N 0.23 -0.65 0.00 0.04 1.57 -1.00 -0.39 116.57 116.37 1a9e h LYS 146 Ca 0.07 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1a9e h LYS 146 Cb 0.06 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1a9e h LYS 146 CO -0.01 -0.43 -0.01 -1.49 -0.57 0.00 0.00 179.45 176.94 1a9e h TRP 147 N -0.68 0.00 0.11 -1.35 4.06 -0.85 0.11 115.95 117.35 1a9e h TRP 147 Ca -0.01 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.75 1a9e h TRP 147 Cb 0.64 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.82 1a9e h TRP 147 CO -0.23 0.01 -0.82 0.93 -3.56 0.00 0.00 178.44 174.77 1a9e h GLU 148 N 0.00 0.35 -0.20 0.49 5.08 -0.27 -1.04 114.58 118.99 1a9e h GLU 148 Ca -0.00 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1a9e h GLU 148 Cb 0.01 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1a9e h GLU 148 CO 0.00 1.23 -0.09 0.00 -1.00 0.00 0.00 179.01 179.14 1a9e h ALA 149 N 0.15 1.48 -0.12 3.43 0.00 -0.29 -1.74 119.26 122.17 1a9e h ALA 149 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a9e h ALA 149 Cb 1.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1a9e h ALA 149 CO 0.15 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1a9e n ALA 150 N -2.49 2.53 -3.76 0.00 0.00 0.30 -4.95 120.51 112.14 1a9e n ALA 150 Ca -0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 1a9e n ALA 150 Cb 0.26 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1a9e n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9e n ARG 151 N 0.31 -4.64 -0.10 0.00 1.74 -0.66 -4.87 116.66 108.45 1a9e n ARG 151 Ca 0.17 0.56 0.03 0.00 -0.77 0.00 0.00 57.85 57.84 1a9e n ARG 151 Cb 0.35 -5.39 0.36 0.00 -1.02 0.00 0.00 32.46 26.76 1a9e n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a9e h VAL 152 N -1.68 1.12 -0.50 1.55 2.07 -1.47 -2.36 116.25 114.98 1a9e h VAL 152 Ca -0.54 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1a9e h VAL 152 Cb 1.35 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1a9e h VAL 152 CO 0.65 0.13 0.29 0.00 0.02 0.00 0.00 177.57 178.66 1a9e h ALA 153 N 1.65 0.64 -0.42 1.67 0.00 -1.90 0.59 119.26 121.50 1a9e h ALA 153 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1a9e h ALA 153 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1a9e h ALA 153 CO -0.05 -0.03 0.24 0.93 0.00 0.00 0.00 179.25 180.34 1a9e h GLU 154 N 0.57 0.58 -0.33 0.00 3.07 -1.71 0.73 114.58 117.48 1a9e h GLU 154 Ca 0.21 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1a9e h GLU 154 Cb 0.05 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1a9e h GLU 154 CO -0.11 0.44 0.20 1.96 -1.40 0.00 0.00 179.01 180.11 1a9e h GLN 155 N 0.55 0.40 -0.42 2.33 4.20 -1.23 -1.19 115.11 119.75 1a9e h GLN 155 Ca 0.15 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1a9e h GLN 155 Cb 0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1a9e h GLN 155 CO -0.03 0.27 0.16 -0.07 -0.67 0.00 0.00 178.83 178.50 1a9e h LEU 156 N 0.42 0.59 -0.70 1.46 3.38 -0.59 -1.43 115.31 118.44 1a9e h LEU 156 Ca 0.12 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1a9e h LEU 156 Cb -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1a9e h LEU 156 CO -0.04 0.60 0.43 -0.09 0.09 0.00 0.00 178.44 179.43 1a9e h ARG 157 N 0.54 0.82 -0.39 1.13 2.43 -0.66 0.94 114.38 119.20 1a9e h ARG 157 Ca 0.14 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1a9e h ARG 157 Cb 0.20 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1a9e h ARG 157 CO -0.01 0.54 0.16 0.00 -1.51 0.00 0.00 179.97 179.15 1a9e h ALA 158 N 1.31 0.47 0.45 2.80 0.00 -0.87 -0.36 119.26 123.06 1a9e h ALA 158 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1a9e h ALA 158 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a9e h ALA 158 CO -0.12 -0.22 -0.22 -0.92 0.00 0.00 0.00 179.25 177.78 1a9e h TYR 159 N 0.34 -0.56 -0.98 0.00 3.20 -0.43 -0.26 116.97 118.27 1a9e h TYR 159 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1a9e h TYR 159 Cb 0.12 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 1a9e h TYR 159 CO -0.12 -0.30 0.65 -0.07 -1.64 0.00 0.00 178.16 176.67 1a9e h LEU 160 N -0.70 1.11 0.00 2.82 3.38 -0.71 0.17 115.31 121.38 1a9e h LEU 160 Ca -0.06 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1a9e h LEU 160 Cb 0.51 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1a9e h LEU 160 CO 0.10 0.79 -0.59 -0.08 0.09 0.00 0.00 178.44 178.76 1a9e h GLU 161 N 1.31 0.00 0.00 1.13 4.81 -1.08 -3.32 114.58 117.43 1a9e h GLU 161 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1a9e h GLU 161 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1a9e h GLU 161 CO -0.09 0.59 0.00 0.41 -0.73 0.00 0.00 179.01 179.19 1a9e n GLY 162 N 1.25 0.13 0.29 1.92 0.00 -0.11 -4.66 105.19 104.00 1a9e n GLY 162 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1a9e n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a9e h LEU 163 N 0.00 0.36 0.21 0.99 5.85 -1.49 0.82 115.31 122.05 1a9e h LEU 163 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1a9e h LEU 163 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1a9e h LEU 163 CO 0.00 0.14 -0.10 0.00 -0.34 0.00 0.00 178.44 178.14 1a9e h VAL 165 N -0.33 1.25 -0.28 0.00 2.07 -1.56 -0.31 116.25 117.09 1a9e h VAL 165 Ca -0.03 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1a9e h VAL 165 Cb 0.25 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1a9e h VAL 165 CO 0.05 0.32 0.11 -0.08 0.02 0.00 0.00 177.57 177.99 1a9e h GLU 166 N 0.54 0.23 -0.07 1.57 4.57 -0.75 -1.35 114.58 119.33 1a9e h GLU 166 Ca 0.12 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.12 1a9e h GLU 166 Cb 0.42 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1a9e h GLU 166 CO 0.01 0.15 -0.67 -1.49 -1.18 0.00 0.00 179.01 175.84 1a9e h TRP 167 N 0.24 0.41 -0.37 0.92 4.06 -1.08 -2.84 115.95 117.28 1a9e h TRP 167 Ca 0.12 -0.17 0.02 0.00 2.06 0.00 0.00 58.89 60.92 1a9e h TRP 167 Cb 0.07 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 1a9e h TRP 167 CO -0.12 0.89 0.21 1.25 -3.56 0.00 0.00 178.44 177.11 1a9e h LEU 168 N 0.22 0.34 -1.63 -4.49 5.85 -0.71 -0.87 115.31 114.01 1a9e h LEU 168 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1a9e h LEU 168 Cb 1.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1a9e h LEU 168 CO 0.11 0.25 0.18 0.03 -0.34 0.00 0.00 178.44 178.67 1a9e h ARG 169 N 0.43 0.42 -0.16 1.25 3.08 -1.18 -0.32 114.38 117.90 1a9e h ARG 169 Ca 0.15 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1a9e h ARG 169 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1a9e h ARG 169 CO -0.07 0.31 -0.14 0.00 -1.07 0.00 0.00 179.97 178.99 1a9e h ARG 170 N 0.43 0.39 -0.33 0.04 3.08 -1.09 -2.64 114.38 114.26 1a9e h ARG 170 Ca 0.11 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1a9e h ARG 170 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1a9e h ARG 170 CO -0.02 0.74 0.19 1.88 -1.07 0.00 0.00 179.97 181.69 1a9e h TYR 171 N 0.04 0.44 -0.17 3.04 0.05 -0.65 -0.19 116.97 119.54 1a9e h TYR 171 Ca 0.03 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1a9e h TYR 171 Cb 0.66 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1a9e h TYR 171 CO 0.08 0.34 0.16 -0.07 -1.05 0.00 0.00 178.16 177.62 1a9e h LEU 172 N 0.42 0.00 0.00 3.88 3.38 -1.08 -0.07 115.31 121.84 1a9e h LEU 172 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1a9e h LEU 172 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a9e h LEU 172 CO -0.02 0.00 -0.05 -0.08 0.09 0.00 0.00 178.44 178.38 1a9e h GLU 173 N 0.00 0.00 -0.75 1.13 4.57 -0.93 -2.73 114.58 115.86 1a9e h GLU 173 Ca 0.08 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.40 1a9e h GLU 173 Cb 0.41 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.90 1a9e h GLU 173 CO -0.00 0.43 0.31 -0.91 -1.18 0.00 0.00 179.01 177.67 1a9e h ASN 174 N -1.00 0.32 -0.76 1.04 2.35 -0.61 -1.90 115.58 115.01 1a9e h ASN 174 Ca -0.01 0.10 -0.40 0.00 -0.55 0.00 0.00 56.30 55.44 1a9e h ASN 174 Cb 0.46 0.07 -0.24 0.00 0.05 0.00 0.00 38.32 38.66 1a9e h ASN 174 CO -0.01 0.13 0.38 0.61 -1.65 0.00 0.00 177.43 176.90 1a9e n GLY 175 N -1.32 4.70 0.28 2.83 0.00 -0.08 -4.74 105.19 106.86 1a9e n GLY 175 Ca 0.14 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 45.05 1a9e n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a9e h LYS 176 N 1.04 0.25 -0.87 1.61 3.64 -1.01 0.23 116.57 121.45 1a9e h LYS 176 Ca 0.49 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 60.02 1a9e h LYS 176 Cb 2.37 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 34.03 1a9e h LYS 176 CO 0.86 0.16 0.43 0.93 -2.27 0.00 0.00 179.45 179.57 1a9e h GLU 177 N 0.26 0.55 0.00 1.90 4.39 -1.85 -2.46 114.58 117.36 1a9e h GLU 177 Ca 0.46 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.83 1a9e h GLU 177 Cb 0.83 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 1a9e h GLU 177 CO -0.56 0.36 -2.11 0.25 -1.16 0.00 0.00 179.01 175.79 1a9e n THR 178 N -4.92 1.11 0.16 1.13 -2.24 -0.78 -4.32 114.28 104.43 1a9e n THR 178 Ca 0.19 -0.59 0.03 0.00 -2.27 0.00 0.00 64.05 61.41 1a9e n THR 178 Cb 0.51 -0.81 0.20 0.00 -2.10 0.00 0.00 70.33 68.14 1a9e n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1a9e h LEU 179 N 0.00 0.00 -2.63 3.22 3.38 -1.00 -3.31 115.31 114.97 1a9e h LEU 179 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1a9e h LEU 179 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1a9e h LEU 179 CO -0.01 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1a9e n GLN 180 N -3.49 2.50 -4.16 1.13 6.02 -0.93 -4.93 117.38 113.52 1a9e n GLN 180 Ca 0.00 -1.99 -0.34 0.00 -0.01 0.00 0.00 57.00 54.66 1a9e n GLN 180 Cb 0.61 -1.30 -0.13 0.00 1.02 0.00 0.00 30.24 30.44 1a9e n GLN 180 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1a9e s ARG 181 N -1.01 3.50 -0.28 -1.09 1.81 -1.25 -5.07 118.95 115.55 1a9e s ARG 181 Ca 0.25 -0.59 -0.24 0.00 -1.72 0.00 0.00 55.73 53.43 1a9e s ARG 181 Cb 0.13 -2.96 -0.00 0.00 -0.45 0.00 0.00 34.95 31.67 1a9e s ARG 181 CO 0.18 -0.01 0.80 0.00 -0.68 0.00 0.00 175.30 175.59 1a9e s ALA 182 N 1.00 3.57 -0.36 2.13 0.00 -1.26 -4.86 121.76 121.98 1a9e s ALA 182 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 1a9e s ALA 182 Cb -0.15 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1a9e s ALA 182 CO 0.01 -1.11 0.73 -0.51 0.00 0.00 0.00 175.76 174.88 1a9e s ASP 183 N 1.53 6.51 0.60 0.00 1.01 0.67 -4.66 116.67 122.33 1a9e s ASP 183 Ca 0.33 0.29 -0.16 0.00 0.71 0.00 0.00 52.55 53.72 1a9e s ASP 183 Cb -0.14 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1a9e s ASP 183 CO 0.11 -0.67 1.08 -2.16 0.21 0.00 0.00 175.17 173.74 1a9e s PRO 184 N 2.94 3.17 0.40 8.23 0.04 -1.26 -0.93 135.00 147.58 1a9e s PRO 184 Ca 0.29 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1a9e s PRO 184 Cb -0.14 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1a9e s PRO 184 CO 0.16 -0.95 0.93 -1.25 0.04 0.00 0.00 177.00 175.94 1a9e s PRO 185 N -3.93 4.30 -0.13 0.56 0.04 -1.26 -4.48 135.00 130.09 1a9e s PRO 185 Ca 0.66 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 1a9e s PRO 185 Cb -0.19 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 1a9e s PRO 185 CO 0.36 0.06 0.60 0.15 0.04 0.00 0.00 177.00 178.21 1a9e s LYS 186 N -2.89 4.33 0.37 4.56 1.02 0.39 -4.81 119.74 122.70 1a9e s LYS 186 Ca 0.59 0.65 0.08 0.00 0.02 0.00 0.00 55.97 57.30 1a9e s LYS 186 Cb -0.11 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 1a9e s LYS 186 CO 0.16 -0.01 0.00 0.95 -0.92 0.00 0.00 175.35 175.53 1a9e s THR 187 N 1.13 2.27 0.00 2.17 -4.23 -1.26 -0.96 115.64 114.76 1a9e s THR 187 Ca 0.31 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1a9e s THR 187 Cb -0.16 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1a9e s THR 187 CO 0.13 -0.11 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1a9e n HIS 188 N -0.95 0.00 -4.50 3.99 1.44 -1.16 -5.00 115.22 109.04 1a9e n HIS 188 Ca -0.04 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.33 1a9e n HIS 188 Cb 0.64 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.65 1a9e n HIS 188 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1a9e s VAL 189 N -1.91 3.96 0.21 0.61 1.01 -1.26 -1.10 120.40 121.92 1a9e s VAL 189 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1a9e s VAL 189 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1a9e s VAL 189 CO 0.00 0.58 -0.06 0.42 0.00 0.00 0.00 175.10 176.04 1a9e s THR 190 N -0.64 3.28 -0.12 3.92 -4.23 0.40 -4.78 115.64 113.47 1a9e s THR 190 Ca 0.10 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1a9e s THR 190 Cb -0.12 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1a9e s THR 190 CO 0.02 -0.21 -0.21 -2.28 -0.54 0.00 0.00 174.62 171.41 1a9e s HIS 191 N -1.94 2.45 -0.23 3.99 2.46 -1.26 -1.37 115.29 119.40 1a9e s HIS 191 Ca 0.27 -1.14 -0.02 0.00 0.47 0.00 0.00 55.06 54.64 1a9e s HIS 191 Cb -0.08 -1.68 0.07 0.00 -0.13 0.00 0.00 32.58 30.76 1a9e s HIS 191 CO 0.17 -0.52 0.03 -1.01 -2.47 0.00 0.00 174.74 170.94 1a9e s HIS 192 N 0.70 1.44 0.03 3.88 3.76 0.30 -4.98 115.29 120.42 1a9e s HIS 192 Ca -0.11 -1.21 -0.30 0.00 -0.15 0.00 0.00 55.06 53.28 1a9e s HIS 192 Cb -0.16 -1.27 -0.06 0.00 1.11 0.00 0.00 32.58 32.20 1a9e s HIS 192 CO 0.02 -0.70 1.32 -1.25 -0.85 0.00 0.00 174.74 173.28 1a9e s PRO 193 N 1.72 4.33 -0.13 8.40 0.04 -1.26 0.32 135.00 148.42 1a9e s PRO 193 Ca 0.00 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 1a9e s PRO 193 Cb -0.17 -3.46 -0.24 0.00 0.04 0.00 0.00 34.50 30.66 1a9e s PRO 193 CO -0.11 -0.46 0.33 1.55 0.04 0.00 0.00 177.00 178.35 1a9e n VAL 194 N 4.36 1.70 -3.94 -0.36 3.14 -0.98 -4.92 118.33 117.34 1a9e n VAL 194 Ca 0.12 -0.68 -0.11 0.00 -2.96 0.00 0.00 64.34 60.71 1a9e n VAL 194 Cb 0.44 -1.53 -0.01 0.00 -1.06 0.00 0.00 33.84 31.68 1a9e n VAL 194 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1a9e s SER 195 N -6.76 0.34 0.00 6.55 1.04 -1.10 -5.01 113.70 108.76 1a9e s SER 195 Ca -0.21 -1.23 0.17 0.00 0.48 0.00 0.00 55.95 55.16 1a9e s SER 195 Cb 0.07 0.74 0.81 0.00 0.10 0.00 0.00 66.02 67.74 1a9e s SER 195 CO 0.76 -1.46 1.50 0.47 0.98 0.00 0.00 173.24 175.49 1a9e n ASP 196 N -1.25 0.00 -0.12 7.02 8.00 -1.26 -3.29 116.55 125.64 1a9e n ASP 196 Ca -0.04 0.17 -0.17 0.00 0.71 0.00 0.00 54.79 55.47 1a9e n ASP 196 Cb 0.61 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 41.24 1a9e n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1a9e n HIS 197 N -1.35 0.00 -4.38 1.24 8.25 -1.26 -4.82 115.22 112.90 1a9e n HIS 197 Ca 0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 1a9e n HIS 197 Cb 0.15 -0.97 -0.10 0.00 1.12 0.00 0.00 29.99 30.19 1a9e n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1a9e s GLU 198 N -2.50 1.44 0.04 -0.41 2.02 -1.21 -0.75 118.70 117.33 1a9e s GLU 198 Ca -0.33 -1.72 -0.11 0.00 0.02 0.00 0.00 54.97 52.83 1a9e s GLU 198 Cb 0.09 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 33.36 1a9e s GLU 198 CO 0.59 0.01 0.24 0.00 0.02 0.00 0.00 175.26 176.13 1a9e s ALA 199 N -3.15 -0.50 -0.21 5.21 0.00 0.71 -2.31 121.76 121.52 1a9e s ALA 199 Ca 0.28 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1a9e s ALA 199 Cb 0.04 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1a9e s ALA 199 CO 0.10 -0.38 0.11 0.99 0.00 0.00 0.00 175.76 176.57 1a9e s THR 200 N -2.55 5.06 -0.30 0.00 2.01 0.15 -0.21 115.64 119.80 1a9e s THR 200 Ca -0.05 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 1a9e s THR 200 Cb -0.01 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1a9e s THR 200 CO -0.04 0.41 0.12 -0.76 -0.69 0.00 0.00 174.62 173.67 1a9e s LEU 201 N 0.67 3.93 -0.21 4.42 1.43 -0.32 -0.54 118.68 128.07 1a9e s LEU 201 Ca 0.06 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1a9e s LEU 201 Cb -0.13 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1a9e s LEU 201 CO 0.01 -0.17 -0.04 -0.60 0.23 0.00 0.00 176.35 175.78 1a9e s ARG 202 N 1.58 3.42 -0.26 1.70 3.52 -0.47 -1.80 118.95 126.64 1a9e s ARG 202 Ca 0.04 -0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 54.91 1a9e s ARG 202 Cb -0.17 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1a9e s ARG 202 CO 0.05 -0.15 0.26 0.00 -0.81 0.00 0.00 175.30 174.65 1a9e s TRP 204 N 1.66 3.34 -0.26 0.00 0.52 -0.26 -1.37 118.94 122.56 1a9e s TRP 204 Ca 0.11 0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.56 1a9e s TRP 204 Cb -0.15 -1.84 0.07 0.00 -1.15 0.00 0.00 33.47 30.40 1a9e s TRP 204 CO 0.09 0.58 0.00 0.00 0.02 0.00 0.00 176.95 177.64 1a9e s ALA 205 N -0.97 1.93 0.11 0.98 0.00 -0.01 -3.00 121.76 120.80 1a9e s ALA 205 Ca 0.15 -1.54 0.11 0.00 0.00 0.00 0.00 51.96 50.67 1a9e s ALA 205 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1a9e s ALA 205 CO 0.04 -1.37 -0.27 -0.51 0.00 0.00 0.00 175.76 173.66 1a9e s LEU 206 N 1.41 2.30 -1.37 0.00 1.43 -0.14 -1.46 118.68 120.84 1a9e s LEU 206 Ca 0.00 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.30 1a9e s LEU 206 Cb -0.18 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1a9e s LEU 206 CO -0.11 0.20 1.16 0.61 0.23 0.00 0.00 176.35 178.44 1a9e n GLY 207 N 1.10 -0.55 3.89 -3.19 0.00 -0.28 -0.46 105.19 105.70 1a9e n GLY 207 Ca -0.18 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1a9e n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a9e s PHE 208 N -3.31 3.28 -0.22 1.61 -0.71 -0.99 -4.62 117.98 113.01 1a9e s PHE 208 Ca 0.58 -0.05 -0.14 0.00 -1.04 0.00 0.00 56.93 56.27 1a9e s PHE 208 Cb -0.26 -1.50 0.06 0.00 -1.21 0.00 0.00 43.02 40.12 1a9e s PHE 208 CO 0.72 0.49 0.54 -0.47 -1.34 0.00 0.00 175.22 175.16 1a9e s TYR 209 N -2.01 -0.76 1.12 3.49 6.14 -0.11 -0.50 117.35 124.72 1a9e s TYR 209 Ca 0.33 1.63 -0.19 0.00 0.64 0.00 0.00 57.07 59.48 1a9e s TYR 209 Cb -0.09 0.37 0.27 0.00 0.42 0.00 0.00 41.96 42.94 1a9e s TYR 209 CO 0.27 -0.39 1.14 -0.35 0.64 0.00 0.00 175.55 176.85 1a9e n PRO 210 N 3.84 -2.52 -0.05 4.97 -0.04 -1.26 -0.24 135.00 139.69 1a9e n PRO 210 Ca -0.19 -1.79 0.01 0.00 -0.04 0.00 0.00 63.50 61.49 1a9e n PRO 210 Cb 0.57 -1.51 0.32 0.00 -0.04 0.00 0.00 33.50 32.84 1a9e n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9e h ALA 211 N -2.44 1.50 -1.90 0.55 0.00 -1.96 -3.44 119.26 111.57 1a9e h ALA 211 Ca -0.41 -0.11 -0.65 0.00 0.00 0.00 0.00 54.91 53.75 1a9e h ALA 211 Cb 1.20 -0.19 0.04 0.00 0.00 0.00 0.00 17.79 18.84 1a9e h ALA 211 CO 0.27 0.40 0.81 -1.91 0.00 0.00 0.00 179.25 178.82 1a9e n GLU 212 N -4.38 1.68 -3.48 0.00 4.07 -1.26 -4.95 120.64 112.32 1a9e n GLU 212 Ca 0.04 0.61 -0.10 0.00 -0.06 0.00 0.00 57.16 57.64 1a9e n GLU 212 Cb 0.13 -2.35 -0.02 0.00 -0.06 0.00 0.00 31.44 29.14 1a9e n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1a9e s ILE 213 N 2.19 0.00 -0.06 6.31 2.07 -1.26 -4.68 121.20 125.76 1a9e s ILE 213 Ca 0.88 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.11 1a9e s ILE 213 Cb -0.84 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.78 1a9e s ILE 213 CO 0.50 0.00 0.01 -0.89 -1.91 0.00 0.00 174.94 172.65 1a9e s THR 214 N -3.13 0.30 -0.10 4.00 2.01 -0.39 -5.01 115.64 113.32 1a9e s THR 214 Ca 0.02 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1a9e s THR 214 Cb -0.01 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1a9e s THR 214 CO -0.09 0.24 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.20 1a9e s LEU 215 N 1.93 2.75 -0.02 4.42 1.43 -1.26 -0.66 118.68 127.27 1a9e s LEU 215 Ca 0.04 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1a9e s LEU 215 Cb -0.12 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1a9e s LEU 215 CO -0.05 0.23 0.03 -0.89 0.23 0.00 0.00 176.35 175.90 1a9e s THR 216 N -0.01 -0.03 -0.12 5.49 2.01 -0.23 -4.99 115.64 117.76 1a9e s THR 216 Ca -0.03 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1a9e s THR 216 Cb -0.14 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1a9e s THR 216 CO 0.04 0.04 0.18 0.26 -0.69 0.00 0.00 174.62 174.45 1a9e s TRP 217 N 0.56 3.58 0.01 4.92 0.52 -1.26 0.06 118.94 127.32 1a9e s TRP 217 Ca -0.05 0.55 0.04 0.00 0.02 0.00 0.00 56.10 56.67 1a9e s TRP 217 Cb -0.06 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.20 1a9e s TRP 217 CO -0.02 0.63 -0.13 -0.65 0.02 0.00 0.00 176.95 176.80 1a9e s GLN 218 N -0.73 1.02 -0.20 4.98 -0.21 0.16 -0.84 119.66 123.84 1a9e s GLN 218 Ca 0.15 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 1a9e s GLN 218 Cb -0.12 -1.00 0.01 0.00 1.00 0.00 0.00 33.01 32.90 1a9e s GLN 218 CO 0.04 0.27 -0.13 0.50 -2.12 0.00 0.00 175.29 173.85 1a9e s ARG 219 N -0.58 3.14 -1.28 2.91 3.52 0.21 -0.95 118.95 125.92 1a9e s ARG 219 Ca 0.04 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 1a9e s ARG 219 Cb -0.06 -2.78 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1a9e s ARG 219 CO 0.00 -0.22 0.35 -0.25 -0.81 0.00 0.00 175.30 174.37 1a9e n ASP 220 N 4.69 -4.31 0.00 -2.12 8.00 -0.12 -0.26 116.55 122.44 1a9e n ASP 220 Ca -0.20 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1a9e n ASP 220 Cb 0.50 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 1a9e n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a9e n GLY 221 N -1.13 3.24 3.69 0.44 0.00 -1.26 -5.02 105.19 105.15 1a9e n GLY 221 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1a9e n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9e s GLU 222 N -0.51 4.39 0.04 1.61 2.56 0.64 -4.96 118.70 122.48 1a9e s GLU 222 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 54.97 56.20 1a9e s GLU 222 Cb 0.00 -3.54 -0.08 0.00 2.00 0.00 0.00 34.13 32.51 1a9e s GLU 222 CO 0.00 -0.37 1.65 -0.51 -0.56 0.00 0.00 175.26 175.47 1a9e s ASP 223 N 1.28 6.62 -0.50 -1.70 1.11 -1.26 -0.62 116.67 121.60 1a9e s ASP 223 Ca 0.52 2.43 -0.02 0.00 0.18 0.00 0.00 52.55 55.66 1a9e s ASP 223 Cb -0.22 -2.56 0.33 0.00 1.07 0.00 0.00 42.92 41.55 1a9e s ASP 223 CO 0.20 -0.89 2.04 0.00 1.18 0.00 0.00 175.17 177.70 1a9e n GLN 224 N 5.94 2.26 -0.36 8.23 1.13 -0.02 -4.69 117.38 129.86 1a9e n GLN 224 Ca 0.16 -2.45 0.27 0.00 -1.94 0.00 0.00 57.00 53.04 1a9e n GLN 224 Cb 0.41 -1.96 0.54 0.00 0.11 0.00 0.00 30.24 29.34 1a9e n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1a9e h THR 225 N 1.03 0.39 -0.11 5.09 1.35 -1.91 -0.68 112.91 118.07 1a9e h THR 225 Ca 0.45 -0.10 -0.13 0.00 -0.55 0.00 0.00 66.41 66.07 1a9e h THR 225 Cb 0.85 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1a9e h THR 225 CO 1.19 0.06 -0.52 1.56 -0.25 0.00 0.00 175.52 177.55 1a9e h GLN 226 N 0.31 0.29 -0.01 4.72 1.08 -1.98 -3.29 115.11 116.23 1a9e h GLN 226 Ca 0.67 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 1a9e h GLN 226 Cb 1.81 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 1a9e h GLN 226 CO -0.37 0.74 -0.72 -0.25 -0.95 0.00 0.00 178.83 177.29 1a9e n ASP 227 N -3.94 1.52 -4.74 1.46 9.92 -0.31 -4.97 116.55 115.48 1a9e n ASP 227 Ca -0.02 -1.25 -0.40 0.00 -0.53 0.00 0.00 54.79 52.58 1a9e n ASP 227 Cb 0.56 0.71 -0.05 0.00 -0.64 0.00 0.00 41.12 41.70 1a9e n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1a9e s THR 228 N -2.73 4.29 -0.26 -3.53 2.01 -0.89 -4.54 115.64 109.99 1a9e s THR 228 Ca 0.14 2.04 -0.06 0.00 0.31 0.00 0.00 61.69 64.12 1a9e s THR 228 Cb 0.17 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 1a9e s THR 228 CO 0.71 0.42 0.03 -0.70 -0.69 0.00 0.00 174.62 174.40 1a9e s GLU 229 N -0.64 3.29 -0.08 4.92 2.12 0.17 -4.95 118.70 123.52 1a9e s GLU 229 Ca 0.43 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 55.07 1a9e s GLU 229 Cb -0.24 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1a9e s GLU 229 CO 0.30 -0.31 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.08 1a9e s LEU 230 N 1.51 2.78 0.30 2.70 1.43 -1.26 -0.80 118.68 125.34 1a9e s LEU 230 Ca 0.04 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1a9e s LEU 230 Cb -0.16 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1a9e s LEU 230 CO 0.01 0.27 0.57 0.68 0.23 0.00 0.00 176.35 178.11 1a9e s VAL 231 N -0.30 5.01 0.42 -1.59 -7.23 -1.16 -5.05 120.40 110.49 1a9e s VAL 231 Ca 0.03 0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 60.05 1a9e s VAL 231 Cb -0.13 -3.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.00 1a9e s VAL 231 CO 0.03 -0.33 1.21 -1.61 -0.31 0.00 0.00 175.10 174.08 1a9e s GLU 232 N -3.56 3.94 0.11 4.82 2.02 -1.26 -4.67 118.70 120.11 1a9e s GLU 232 Ca 0.44 1.92 -0.33 0.00 0.02 0.00 0.00 54.97 57.02 1a9e s GLU 232 Cb -0.11 -2.63 -0.13 0.00 0.10 0.00 0.00 34.13 31.36 1a9e s GLU 232 CO 0.30 -0.44 1.69 2.41 0.02 0.00 0.00 175.26 179.24 1a9e n THR 233 N -0.05 0.17 -4.34 3.63 -1.04 -1.26 -4.88 114.28 106.50 1a9e n THR 233 Ca 0.05 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.78 1a9e n THR 233 Cb 0.46 -1.73 -0.12 0.00 -1.82 0.00 0.00 70.33 67.11 1a9e n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a9e s ARG 234 N 1.81 1.28 0.24 -2.82 1.70 -0.74 -4.97 118.95 115.45 1a9e s ARG 234 Ca 0.82 -1.31 -0.30 0.00 -0.47 0.00 0.00 55.73 54.47 1a9e s ARG 234 Cb -0.63 -1.58 -0.09 0.00 -0.57 0.00 0.00 34.95 32.08 1a9e s ARG 234 CO 0.40 0.36 1.06 -1.25 -1.08 0.00 0.00 175.30 174.79 1a9e s PRO 235 N -2.23 4.67 0.36 3.89 0.04 -1.26 -0.62 135.00 139.86 1a9e s PRO 235 Ca 0.12 1.71 0.20 0.00 0.04 0.00 0.00 61.00 63.07 1a9e s PRO 235 Cb -0.09 -3.24 0.21 0.00 0.04 0.00 0.00 34.50 31.42 1a9e s PRO 235 CO 0.06 0.23 1.50 0.00 0.04 0.00 0.00 177.00 178.83 1a9e h ALA 236 N 4.31 0.84 0.00 8.56 0.00 -1.07 -3.46 119.26 128.44 1a9e h ALA 236 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1a9e h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a9e h ALA 236 CO 0.69 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1a9e n GLY 237 N 1.16 0.48 0.77 0.00 0.00 -1.26 -4.94 105.19 101.40 1a9e n GLY 237 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1a9e n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a9e n ASP 238 N 0.00 1.57 -0.17 1.61 5.75 -1.26 -4.94 116.55 119.10 1a9e n ASP 238 Ca 0.00 -3.46 -0.02 0.00 -0.01 0.00 0.00 54.79 51.30 1a9e n ASP 238 Cb 0.00 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.61 1a9e n ASP 238 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a9e n ARG 239 N -0.78 -0.46 -4.58 0.11 1.74 -1.26 -5.02 116.66 106.40 1a9e n ARG 239 Ca 0.16 0.36 -0.27 0.00 -0.77 0.00 0.00 57.85 57.33 1a9e n ARG 239 Cb 0.78 -3.89 -0.11 0.00 -1.02 0.00 0.00 32.46 28.22 1a9e n ARG 239 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a9e s THR 240 N -1.93 1.94 0.34 0.55 -4.23 -1.26 -4.87 115.64 106.18 1a9e s THR 240 Ca 0.00 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1a9e s THR 240 Cb 0.00 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 1a9e s THR 240 CO 0.00 -0.05 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.57 1a9e s PHE 241 N -2.77 2.37 0.12 3.99 0.08 0.35 -0.46 117.98 121.66 1a9e s PHE 241 Ca 0.34 -0.50 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1a9e s PHE 241 Cb 0.08 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1a9e s PHE 241 CO 0.17 0.57 -0.10 -0.65 -0.10 0.00 0.00 175.22 175.12 1a9e s GLN 242 N -3.61 0.94 -0.24 0.44 -0.21 0.21 -1.13 119.66 116.06 1a9e s GLN 242 Ca 0.32 -1.30 -0.27 0.00 0.02 0.00 0.00 55.36 54.12 1a9e s GLN 242 Cb 0.02 -0.55 0.15 0.00 1.00 0.00 0.00 33.01 33.63 1a9e s GLN 242 CO 0.16 0.07 1.15 0.21 -2.12 0.00 0.00 175.29 174.77 1a9e s LYS 243 N -3.31 0.37 0.01 2.91 2.20 -0.53 -1.79 119.74 119.61 1a9e s LYS 243 Ca 0.11 0.24 -0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1a9e s LYS 243 Cb 0.00 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1a9e s LYS 243 CO -0.00 -0.09 -0.02 1.67 -0.36 0.00 0.00 175.35 176.55 1a9e s TRP 244 N -0.48 0.19 -0.13 4.03 1.48 -1.26 -0.83 118.94 121.94 1a9e s TRP 244 Ca 0.03 -0.39 0.03 0.00 -1.06 0.00 0.00 56.10 54.71 1a9e s TRP 244 Cb -0.03 -0.14 0.01 0.00 -1.16 0.00 0.00 33.47 32.15 1a9e s TRP 244 CO -0.06 -0.14 -0.21 0.00 -4.06 0.00 0.00 176.95 172.48 1a9e s ALA 245 N -1.09 2.19 0.16 2.67 0.00 -0.47 -2.98 121.76 122.23 1a9e s ALA 245 Ca -0.12 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 50.89 1a9e s ALA 245 Cb -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1a9e s ALA 245 CO -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 175.76 175.58 1a9e s ALA 246 N 0.80 2.76 -0.07 0.00 0.00 0.02 -0.61 121.76 124.67 1a9e s ALA 246 Ca -0.08 -1.47 -0.07 0.00 0.00 0.00 0.00 51.96 50.34 1a9e s ALA 246 Cb -0.16 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1a9e s ALA 246 CO -0.01 0.50 0.20 0.54 0.00 0.00 0.00 175.76 176.99 1a9e s VAL 247 N -1.50 0.01 -0.25 0.00 0.11 -0.74 -0.66 120.40 117.37 1a9e s VAL 247 Ca 0.22 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.08 1a9e s VAL 247 Cb -0.09 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1a9e s VAL 247 CO 0.12 -0.02 0.33 -0.69 -3.33 0.00 0.00 175.10 171.50 1a9e s VAL 248 N 0.00 5.23 0.15 2.04 1.01 -1.26 -1.17 120.40 126.40 1a9e s VAL 248 Ca -0.01 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1a9e s VAL 248 Cb -0.02 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1a9e s VAL 248 CO 0.00 0.22 -0.17 0.68 0.00 0.00 0.00 175.10 175.84 1a9e s VAL 249 N 1.67 1.68 0.29 2.92 -7.23 0.71 -4.95 120.40 115.49 1a9e s VAL 249 Ca 0.14 -1.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 1a9e s VAL 249 Cb -0.15 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1a9e s VAL 249 CO 0.09 -0.35 1.05 -2.16 -0.31 0.00 0.00 175.10 173.42 1a9e s PRO 250 N -2.79 4.60 0.09 4.82 0.04 -1.26 -0.21 135.00 140.30 1a9e s PRO 250 Ca 0.14 1.68 -0.34 0.00 0.04 0.00 0.00 61.00 62.52 1a9e s PRO 250 Cb -0.05 -3.09 -0.14 0.00 0.04 0.00 0.00 34.50 31.26 1a9e s PRO 250 CO 0.06 0.22 1.62 0.43 0.04 0.00 0.00 177.00 179.36 1a9e n SER 251 N 1.02 3.00 0.00 6.66 7.64 0.07 -2.09 113.62 129.93 1a9e n SER 251 Ca -0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1a9e n SER 251 Cb 0.46 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1a9e n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9e n GLY 252 N 3.54 3.05 0.00 0.23 0.00 -1.26 -4.84 105.19 105.92 1a9e n GLY 252 Ca 0.18 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.48 1a9e n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a9e n GLU 253 N 0.00 0.49 0.05 1.61 1.02 -0.89 -3.76 120.64 119.17 1a9e n GLU 253 Ca 0.00 0.03 0.20 0.00 -0.02 0.00 0.00 57.16 57.37 1a9e n GLU 253 Cb 0.00 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 30.65 1a9e n GLU 253 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1a9e h GLU 254 N 0.00 0.00 0.00 3.49 4.11 -1.88 0.26 114.58 120.56 1a9e h GLU 254 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1a9e h GLU 254 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1a9e h GLU 254 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 179.01 180.02 1a9e n GLN 255 N -4.13 0.02 -0.06 1.06 7.27 -1.25 -1.55 117.38 118.74 1a9e n GLN 255 Ca 0.08 0.36 0.12 0.00 0.07 0.00 0.00 57.00 57.63 1a9e n GLN 255 Cb 0.57 -1.50 0.21 0.00 2.41 0.00 0.00 30.24 31.93 1a9e n GLN 255 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1a9e n ARG 256 N -1.46 2.25 -4.41 3.69 1.74 0.08 -4.94 116.66 113.61 1a9e n ARG 256 Ca 0.02 -1.84 -0.34 0.00 -0.77 0.00 0.00 57.85 54.91 1a9e n ARG 256 Cb 0.07 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 1a9e n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1a9e s TYR 257 N -1.83 3.07 0.03 -1.55 1.51 -0.60 -0.94 117.35 117.03 1a9e s TYR 257 Ca 0.33 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.39 1a9e s TYR 257 Cb 0.21 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1a9e s TYR 257 CO 0.31 0.23 -0.12 0.95 -1.11 0.00 0.00 175.55 175.81 1a9e s THR 258 N -0.30 0.92 -0.20 -0.71 -4.23 -0.12 -4.57 115.64 106.43 1a9e s THR 258 Ca 0.06 -0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 1a9e s THR 258 Cb -0.12 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.83 1a9e s THR 258 CO 0.02 0.01 0.13 0.00 -0.54 0.00 0.00 174.62 174.25 1a9e s HIS 260 N 0.41 3.15 -0.09 0.00 2.46 0.11 -0.42 115.29 120.91 1a9e s HIS 260 Ca 0.08 -0.13 0.03 0.00 0.47 0.00 0.00 55.06 55.51 1a9e s HIS 260 Cb -0.11 -2.05 0.01 0.00 -0.13 0.00 0.00 32.58 30.29 1a9e s HIS 260 CO -0.01 0.02 -0.19 0.08 -2.47 0.00 0.00 174.74 172.17 1a9e s VAL 261 N 0.51 1.67 -0.10 0.89 1.01 -0.06 -1.07 120.40 123.26 1a9e s VAL 261 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1a9e s VAL 261 Cb -0.13 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1a9e s VAL 261 CO 0.02 0.47 -0.17 -1.10 0.00 0.00 0.00 175.10 174.32 1a9e s GLN 262 N 0.58 2.31 -0.20 2.72 -0.21 0.17 -0.77 119.66 124.26 1a9e s GLN 262 Ca -0.15 -0.61 -0.23 0.00 0.02 0.00 0.00 55.36 54.39 1a9e s GLN 262 Cb -0.17 -1.88 0.06 0.00 1.00 0.00 0.00 33.01 32.02 1a9e s GLN 262 CO 0.05 0.02 0.62 -1.58 -2.12 0.00 0.00 175.29 172.28 1a9e s HIS 263 N 0.74 -0.66 0.60 0.91 2.46 -1.26 -1.26 115.29 116.81 1a9e s HIS 263 Ca -0.12 1.54 0.32 0.00 0.47 0.00 0.00 55.06 57.27 1a9e s HIS 263 Cb -0.16 0.26 1.89 0.00 -0.13 0.00 0.00 32.58 34.44 1a9e s HIS 263 CO 0.02 -0.38 2.27 1.05 -2.47 0.00 0.00 174.74 175.24 1a9e h GLU 264 N 4.77 0.00 -0.97 2.88 4.11 -1.95 -1.83 114.58 121.60 1a9e h GLU 264 Ca -0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 1a9e h GLU 264 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1a9e h GLU 264 CO 0.16 0.00 0.06 0.41 0.07 0.00 0.00 179.01 179.71 1a9e n GLY 265 N -1.27 2.10 2.98 1.06 0.00 -1.26 -4.74 105.19 104.06 1a9e n GLY 265 Ca -0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1a9e n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9e s LEU 266 N -0.50 1.54 0.48 0.99 1.43 -0.69 -4.19 118.68 117.75 1a9e s LEU 266 Ca 0.09 -0.24 0.20 0.00 -1.03 0.00 0.00 54.13 53.15 1a9e s LEU 266 Cb 0.07 -0.70 1.22 0.00 0.03 0.00 0.00 46.19 46.82 1a9e s LEU 266 CO 0.02 0.00 1.96 1.55 0.23 0.00 0.00 176.35 180.11 1a9e h PRO 267 N 7.04 0.20 -2.77 1.29 0.13 -1.86 -3.44 132.00 132.58 1a9e h PRO 267 Ca -0.33 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1a9e h PRO 267 Cb 1.18 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1a9e h PRO 267 CO 0.47 0.13 0.30 -1.59 -0.23 0.00 0.00 178.00 177.09 1a9e s LYS 268 N -5.21 1.25 0.31 0.86 -2.85 -1.26 -5.15 119.74 107.69 1a9e s LYS 268 Ca -0.06 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.08 1a9e s LYS 268 Cb 0.20 0.53 -0.12 0.00 -2.06 0.00 0.00 37.83 36.38 1a9e s LYS 268 CO 0.75 -0.55 1.47 -2.30 0.10 0.00 0.00 175.35 174.82 1a9e n PRO 269 N -0.37 2.46 -2.84 1.78 -0.02 -1.26 -4.95 135.00 129.81 1a9e n PRO 269 Ca -0.12 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 1a9e n PRO 269 Cb 0.63 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1a9e n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a9e s LEU 270 N -0.88 3.82 -0.18 2.45 1.43 0.05 -4.87 118.68 120.50 1a9e s LEU 270 Ca 0.60 1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1a9e s LEU 270 Cb -0.53 -4.03 0.06 0.00 0.03 0.00 0.00 46.19 41.72 1a9e s LEU 270 CO 0.55 -0.41 0.09 -0.89 0.23 0.00 0.00 176.35 175.93 1a9e s THR 271 N -2.39 -0.07 0.52 5.49 2.01 -1.25 -0.89 115.64 119.07 1a9e s THR 271 Ca 0.51 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.35 1a9e s THR 271 Cb -0.10 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.81 1a9e s THR 271 CO 0.31 -0.30 0.20 -0.76 -0.69 0.00 0.00 174.62 173.38 1a9e s LEU 272 N 2.13 2.52 0.12 4.42 1.02 0.44 -4.91 118.68 124.42 1a9e s LEU 272 Ca 0.02 -1.44 -0.18 0.00 0.02 0.00 0.00 54.13 52.55 1a9e s LEU 272 Cb -0.16 -0.98 0.04 0.00 0.02 0.00 0.00 46.19 45.11 1a9e s LEU 272 CO -0.10 -0.96 0.46 0.00 0.02 0.00 0.00 176.35 175.77 1a9e s ARG 273 N -4.07 1.10 0.08 1.70 1.70 -1.26 -0.20 118.95 118.00 1a9e s ARG 273 Ca 0.21 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 1a9e s ARG 273 Cb -0.00 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.82 1a9e s ARG 273 CO 0.12 -0.44 1.10 -0.46 -1.08 0.00 0.00 175.30 174.55 1a9e s TRP 274 N -3.53 3.56 -0.31 5.89 -0.00 -1.26 -4.73 118.94 118.55 1a9e s TRP 274 Ca 0.01 1.51 -0.04 0.00 -0.00 0.00 0.00 56.10 57.58 1a9e s TRP 274 Cb 0.01 -3.28 0.04 0.00 -0.00 0.00 0.00 33.47 30.23 1a9e s TRP 274 CO -0.10 -0.69 0.04 -1.21 -0.00 0.00 0.00 176.95 174.98 1a9e s GLU 275 N 0.59 2.57 0.30 5.86 2.02 -1.26 -5.02 118.70 123.75 1a9e s GLU 275 Ca 0.54 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 1a9e s GLU 275 Cb -0.27 -3.28 -0.12 0.00 0.10 0.00 0.00 34.13 30.56 1a9e s GLU 275 CO 0.30 -0.61 1.57 -2.30 0.02 0.00 0.00 175.26 174.24 1a9e n PRO 276 N 4.71 2.65 0.00 0.39 -0.02 -1.26 -5.12 135.00 136.36 1a9e n PRO 276 Ca -0.13 0.94 0.12 0.00 -2.02 0.00 0.00 63.50 62.41 1a9e n PRO 276 Cb 0.44 -2.71 0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1a9e n PRO 276 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91