#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5e s ILE 2 N 0.00 3.83 0.52 3.17 1.09 -1.26 -5.01 121.20 123.55 1b5e s ILE 2 Ca 0.00 1.67 -0.23 0.00 -1.10 0.00 0.00 60.65 61.00 1b5e s ILE 2 Cb 0.00 -4.07 -0.06 0.00 -1.06 0.00 0.00 42.46 37.28 1b5e s ILE 2 CO 0.00 0.33 1.37 -0.55 -0.10 0.00 0.00 174.94 175.99 1b5e s SER 3 N -0.44 5.42 -0.87 3.58 0.15 -1.26 -4.92 113.70 115.35 1b5e s SER 3 Ca 0.47 2.80 -0.25 0.00 0.70 0.00 0.00 55.95 59.67 1b5e s SER 3 Cb -0.29 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.41 1b5e s SER 3 CO 0.36 -1.47 1.45 -1.81 1.20 0.00 0.00 173.24 172.96 1b5e s ASP 4 N -0.85 6.18 0.37 5.45 1.11 -1.26 -4.99 116.67 122.68 1b5e s ASP 4 Ca 0.69 -0.88 0.07 0.00 0.18 0.00 0.00 52.55 52.62 1b5e s ASP 4 Cb -0.41 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.01 1b5e s ASP 4 CO 0.50 -1.79 0.47 -0.44 1.18 0.00 0.00 175.17 175.08 1b5e s SER 5 N 4.94 5.68 0.81 0.27 0.01 -1.26 -5.10 113.70 119.05 1b5e s SER 5 Ca 0.45 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 1b5e s SER 5 Cb -0.05 -0.94 0.08 0.00 0.21 0.00 0.00 66.02 65.33 1b5e s SER 5 CO 0.03 -0.55 1.16 -0.04 0.41 0.00 0.00 173.24 174.25 1b5e s MET 6 N -4.20 1.71 0.52 12.44 -1.94 -1.26 -4.77 119.30 121.80 1b5e s MET 6 Ca 0.48 1.58 0.07 0.00 -1.71 0.00 0.00 55.69 56.11 1b5e s MET 6 Cb -0.08 -1.80 0.04 0.00 2.01 0.00 0.00 34.83 34.99 1b5e s MET 6 CO 0.31 -2.12 0.50 0.95 -0.01 0.00 0.00 175.02 174.64 1b5e s THR 7 N -2.40 2.03 0.34 2.05 -4.23 -1.26 -0.55 115.64 111.62 1b5e s THR 7 Ca 0.69 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1b5e s THR 7 Cb -0.25 -2.36 0.24 0.00 1.34 0.00 0.00 72.50 71.48 1b5e s THR 7 CO 0.52 0.00 1.97 0.58 -0.54 0.00 0.00 174.62 177.15 1b5e h VAL 8 N 0.67 1.18 -0.79 2.29 2.07 -1.95 -2.08 116.25 117.63 1b5e h VAL 8 Ca -0.36 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1b5e h VAL 8 Cb 1.29 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1b5e h VAL 8 CO 0.53 0.19 0.51 -0.33 0.02 0.00 0.00 177.57 178.49 1b5e h GLU 9 N 0.85 0.98 -0.28 1.57 4.39 -1.95 -0.66 114.58 119.47 1b5e h GLU 9 Ca 0.22 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 1b5e h GLU 9 Cb -0.02 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 1b5e h GLU 9 CO -0.04 0.65 -0.40 0.93 -1.16 0.00 0.00 179.01 178.99 1b5e h GLU 10 N 1.01 0.67 -0.61 2.33 5.08 -1.83 -2.30 114.58 118.92 1b5e h GLU 10 Ca 0.31 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1b5e h GLU 10 Cb -0.02 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1b5e h GLU 10 CO -0.10 0.95 0.34 0.82 -1.00 0.00 0.00 179.01 180.03 1b5e h ILE 11 N 0.55 0.99 -0.47 3.13 1.08 -0.82 -1.41 117.51 120.56 1b5e h ILE 11 Ca 0.05 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1b5e h ILE 11 Cb 0.93 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 1b5e h ILE 11 CO 0.08 0.12 0.16 0.03 -0.69 0.00 0.00 178.15 177.86 1b5e h ARG 12 N 0.65 0.32 -0.36 2.37 3.08 -0.85 -0.94 114.38 118.67 1b5e h ARG 12 Ca 0.27 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1b5e h ARG 12 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1b5e h ARG 12 CO -0.15 0.21 0.17 1.25 -1.07 0.00 0.00 179.97 180.39 1b5e h LEU 13 N 0.33 0.25 -1.03 3.04 5.85 -0.96 -0.86 115.31 121.94 1b5e h LEU 13 Ca 0.23 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 1b5e h LEU 13 Cb 0.24 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1b5e h LEU 13 CO -0.24 0.19 -0.42 0.45 -0.34 0.00 0.00 178.44 178.08 1b5e h HIS 14 N 0.36 0.14 -0.39 1.25 3.86 -0.84 -0.19 115.15 119.34 1b5e h HIS 14 Ca 0.15 -0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 1b5e h HIS 14 Cb 0.06 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1b5e h HIS 14 CO -0.10 0.53 -0.37 -0.07 0.86 0.00 0.00 177.93 178.78 1b5e h LEU 15 N 0.10 1.00 -0.99 2.43 3.38 -0.88 -1.75 115.31 118.60 1b5e h LEU 15 Ca 0.01 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1b5e h LEU 15 Cb 0.79 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1b5e h LEU 15 CO 0.06 1.25 -0.03 1.23 0.09 0.00 0.00 178.44 181.04 1b5e h GLY 16 N 0.79 0.75 0.93 0.83 0.00 -0.56 -1.93 103.07 103.88 1b5e h GLY 16 Ca 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1b5e h GLY 16 CO 0.09 0.46 0.12 1.41 0.00 0.00 0.00 176.54 178.63 1b5e h LEU 17 N 0.65 0.51 -1.10 3.11 4.07 -0.94 -1.31 115.31 120.30 1b5e h LEU 17 Ca 0.13 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1b5e h LEU 17 Cb 0.45 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 1b5e h LEU 17 CO 0.02 0.57 0.61 0.00 -1.08 0.00 0.00 178.44 178.55 1b5e h ALA 18 N 0.97 1.38 -0.32 1.53 0.00 -0.93 -1.25 119.26 120.63 1b5e h ALA 18 Ca 0.12 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1b5e h ALA 18 Cb 0.23 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1b5e h ALA 18 CO -0.01 0.55 -0.46 1.25 0.00 0.00 0.00 179.25 180.59 1b5e h LEU 19 N 1.20 0.96 -1.69 0.00 5.85 -1.22 -1.09 115.31 119.32 1b5e h LEU 19 Ca 0.35 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1b5e h LEU 19 Cb -0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1b5e h LEU 19 CO -0.09 1.27 0.02 0.50 -0.34 0.00 0.00 178.44 179.80 1b5e h LYS 20 N 0.67 0.21 -0.26 1.25 3.64 -0.49 -1.90 116.57 119.69 1b5e h LYS 20 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1b5e h LYS 20 Cb 1.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1b5e h LYS 20 CO 0.11 0.22 0.00 0.39 -2.27 0.00 0.00 179.45 177.90 1b5e n GLU 21 N -4.43 2.19 -3.77 1.90 1.02 -0.54 -4.95 120.64 112.06 1b5e n GLU 21 Ca -0.01 -1.79 -0.27 0.00 -0.02 0.00 0.00 57.16 55.08 1b5e n GLU 21 Cb 0.15 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1b5e n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1b5e n LYS 22 N 1.02 -6.34 -2.47 3.49 4.01 -0.72 -4.89 118.16 112.27 1b5e n LYS 22 Ca 0.18 0.69 -0.43 0.00 -0.51 0.00 0.00 58.31 58.23 1b5e n LYS 22 Cb 0.50 -5.61 0.00 0.00 -0.51 0.00 0.00 35.03 29.41 1b5e n LYS 22 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1b5e n ASP 23 N -2.93 4.83 -4.87 4.39 2.03 -0.45 -4.97 116.55 114.58 1b5e n ASP 23 Ca -0.02 -2.95 -0.37 0.00 0.52 0.00 0.00 54.79 51.97 1b5e n ASP 23 Cb 0.56 -1.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.26 1b5e n ASP 23 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1b5e s PHE 24 N 2.62 3.63 -0.05 -0.67 0.08 -1.26 -4.43 117.98 117.91 1b5e s PHE 24 Ca 0.47 0.69 0.06 0.00 0.12 0.00 0.00 56.93 58.27 1b5e s PHE 24 Cb 0.05 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1b5e s PHE 24 CO 0.01 0.67 -0.23 0.08 -0.10 0.00 0.00 175.22 175.65 1b5e s VAL 25 N -1.12 1.91 -0.17 -0.44 1.01 0.15 -4.94 120.40 116.80 1b5e s VAL 25 Ca 0.21 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1b5e s VAL 25 Cb -0.14 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1b5e s VAL 25 CO 0.10 0.54 0.96 -0.69 0.00 0.00 0.00 175.10 176.01 1b5e s VAL 26 N -0.22 4.78 0.82 2.92 1.01 -1.26 -0.37 120.40 128.07 1b5e s VAL 26 Ca -0.01 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 1b5e s VAL 26 Cb -0.12 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 32.09 1b5e s VAL 26 CO 0.02 -0.05 1.09 -0.62 0.00 0.00 0.00 175.10 175.54 1b5e s ASP 27 N 1.16 4.20 0.57 3.32 2.15 0.20 -4.91 116.67 123.36 1b5e s ASP 27 Ca 0.43 1.51 0.31 0.00 0.43 0.00 0.00 52.55 55.23 1b5e s ASP 27 Cb -0.17 -2.23 1.74 0.00 -0.30 0.00 0.00 42.92 41.96 1b5e s ASP 27 CO 0.12 -2.18 2.19 0.07 -0.17 0.00 0.00 175.17 175.20 1b5e h LYS 28 N -1.23 0.00 -0.00 4.34 2.10 -1.96 -0.38 116.57 119.43 1b5e h LYS 28 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1b5e h LYS 28 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1b5e h LYS 28 CO 0.56 0.05 -0.02 0.25 -2.00 0.00 0.00 179.45 178.29 1b5e n THR 29 N -3.66 0.00 -0.13 0.07 -2.24 -1.26 -4.90 114.28 102.16 1b5e n THR 29 Ca -0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1b5e n THR 29 Cb 0.15 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1b5e n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b5e n GLY 30 N 1.11 0.88 3.89 3.38 0.00 -0.15 -5.06 105.19 109.24 1b5e n GLY 30 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1b5e n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b5e s VAL 31 N -2.46 4.92 0.45 1.61 0.11 -1.26 -4.70 120.40 119.06 1b5e s VAL 31 Ca 0.00 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.15 1b5e s VAL 31 Cb 0.00 -3.72 -0.09 0.00 -1.53 0.00 0.00 36.38 31.03 1b5e s VAL 31 CO 0.00 -0.39 1.02 -0.54 -3.33 0.00 0.00 175.10 171.86 1b5e s LYS 32 N -3.63 4.01 0.07 1.54 1.02 -1.26 0.60 119.74 122.09 1b5e s LYS 32 Ca 0.47 1.34 0.02 0.00 0.02 0.00 0.00 55.97 57.82 1b5e s LYS 32 Cb -0.11 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1b5e s LYS 32 CO 0.30 -0.25 -0.07 0.95 -0.92 0.00 0.00 175.35 175.36 1b5e s THR 33 N -1.94 0.62 0.20 2.17 -4.23 0.50 -0.90 115.64 112.06 1b5e s THR 33 Ca 0.63 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1b5e s THR 33 Cb -0.16 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1b5e s THR 33 CO 0.20 -0.63 0.18 0.27 -0.54 0.00 0.00 174.62 174.10 1b5e s ILE 34 N -2.51 4.54 -0.21 2.99 -4.36 -0.73 -0.68 121.20 120.25 1b5e s ILE 34 Ca 0.01 -1.19 -0.18 0.00 -0.26 0.00 0.00 60.65 59.03 1b5e s ILE 34 Cb -0.02 -3.38 0.05 0.00 1.25 0.00 0.00 42.46 40.36 1b5e s ILE 34 CO -0.02 -0.21 0.55 -0.70 0.24 0.00 0.00 174.94 174.79 1b5e s GLU 35 N -3.44 0.63 -0.17 0.37 2.12 -1.26 -1.23 118.70 115.72 1b5e s GLU 35 Ca 0.32 0.78 -0.02 0.00 0.36 0.00 0.00 54.97 56.41 1b5e s GLU 35 Cb -0.09 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 1b5e s GLU 35 CO 0.24 -0.08 -0.09 0.42 -0.54 0.00 0.00 175.26 175.21 1b5e s ILE 36 N 0.40 3.17 -0.07 -3.70 1.01 0.23 -4.98 121.20 117.26 1b5e s ILE 36 Ca -0.01 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1b5e s ILE 36 Cb -0.04 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1b5e s ILE 36 CO -0.01 0.48 0.40 -0.63 0.00 0.00 0.00 174.94 175.18 1b5e s ILE 37 N 0.87 5.14 -1.17 2.92 -1.09 -1.26 -1.32 121.20 125.30 1b5e s ILE 37 Ca -0.02 0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 59.15 1b5e s ILE 37 Cb -0.15 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1b5e s ILE 37 CO 0.00 0.47 0.60 0.61 -1.23 0.00 0.00 174.94 175.40 1b5e n GLY 38 N 2.55 -0.24 3.75 6.18 0.00 -0.25 -4.95 105.19 112.24 1b5e n GLY 38 Ca -0.12 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1b5e n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5e s ALA 39 N -3.10 3.58 -0.06 4.61 0.00 -0.40 -4.84 121.76 121.56 1b5e s ALA 39 Ca 0.30 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 1b5e s ALA 39 Cb -0.13 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1b5e s ALA 39 CO 0.37 -0.72 0.10 0.45 0.00 0.00 0.00 175.76 175.96 1b5e s SER 40 N 0.06 1.01 0.06 0.00 0.15 -1.25 -0.83 113.70 112.89 1b5e s SER 40 Ca 0.55 0.17 -0.14 0.00 0.70 0.00 0.00 55.95 57.23 1b5e s SER 40 Cb -0.41 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1b5e s SER 40 CO 0.47 -0.25 0.32 0.72 1.20 0.00 0.00 173.24 175.70 1b5e s PHE 41 N 2.21 -0.12 -0.07 3.44 -0.71 -0.57 -4.04 117.98 118.13 1b5e s PHE 41 Ca 0.04 -0.05 -0.30 0.00 -1.04 0.00 0.00 56.93 55.58 1b5e s PHE 41 Cb -0.12 0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.79 1b5e s PHE 41 CO -0.04 -0.54 1.00 0.08 -1.34 0.00 0.00 175.22 174.38 1b5e s VAL 42 N -2.80 4.82 -1.26 -2.49 1.01 0.29 0.06 120.40 120.02 1b5e s VAL 42 Ca -0.03 2.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 1b5e s VAL 42 Cb -0.00 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1b5e s VAL 42 CO -0.05 0.06 1.70 0.00 0.00 0.00 0.00 175.10 176.82 1b5e s ALA 43 N 1.65 3.24 -2.48 5.51 0.00 0.25 -3.66 121.76 126.27 1b5e s ALA 43 Ca 0.50 -2.84 0.23 0.00 0.00 0.00 0.00 51.96 49.85 1b5e s ALA 43 Cb -0.19 -4.63 0.50 0.00 0.00 0.00 0.00 23.12 18.79 1b5e s ALA 43 CO 0.22 -3.34 1.43 -0.40 0.00 0.00 0.00 175.76 173.67 1b5e n ASP 44 N 8.46 2.93 -4.05 0.00 5.75 -1.26 -4.64 116.55 123.74 1b5e n ASP 44 Ca 0.47 -1.92 -0.10 0.00 -0.01 0.00 0.00 54.79 53.23 1b5e n ASP 44 Cb 0.47 -0.19 -0.11 0.00 -1.03 0.00 0.00 41.12 40.26 1b5e n ASP 44 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1b5e s GLU 45 N -1.63 0.51 0.00 0.11 2.02 -1.26 -5.01 118.70 113.45 1b5e s GLU 45 Ca 0.36 -0.88 0.30 0.00 0.02 0.00 0.00 54.97 54.77 1b5e s GLU 45 Cb 0.21 -0.04 1.53 0.00 0.10 0.00 0.00 34.13 35.93 1b5e s GLU 45 CO 0.30 -0.03 2.01 -0.35 0.02 0.00 0.00 175.26 177.22 1b5e n PRO 46 N 1.03 1.29 -3.75 0.39 -0.04 -1.26 -4.84 135.00 127.82 1b5e n PRO 46 Ca -0.20 -0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 62.74 1b5e n PRO 46 Cb 0.57 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1b5e n PRO 46 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1b5e s PHE 47 N -2.00 -0.06 -0.05 0.54 -0.71 -1.26 -4.47 117.98 109.97 1b5e s PHE 47 Ca 0.43 -0.28 -0.08 0.00 -1.04 0.00 0.00 56.93 55.96 1b5e s PHE 47 Cb 0.21 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 1b5e s PHE 47 CO 0.35 -0.85 -0.15 -0.89 -1.34 0.00 0.00 175.22 172.34 1b5e n ILE 48 N -0.30 0.92 -4.35 -4.49 5.41 -1.26 -5.05 119.36 110.23 1b5e n ILE 48 Ca -0.11 0.27 -0.19 0.00 1.00 0.00 0.00 62.75 63.72 1b5e n ILE 48 Cb 0.63 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 1b5e n ILE 48 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1b5e s PHE 49 N -2.04 1.75 0.00 1.39 0.08 -1.26 -4.94 117.98 112.96 1b5e s PHE 49 Ca -0.12 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1b5e s PHE 49 Cb 0.02 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 1b5e s PHE 49 CO 0.18 0.37 0.00 0.41 -0.10 0.00 0.00 175.22 176.08 1b5e n GLY 50 N -0.28 0.29 3.92 4.36 0.00 0.26 -4.66 105.19 109.08 1b5e n GLY 50 Ca -0.09 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 1b5e n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5e s ALA 51 N -1.59 3.63 -0.16 4.61 0.00 -1.26 -4.72 121.76 122.27 1b5e s ALA 51 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1b5e s ALA 51 Cb 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1b5e s ALA 51 CO 0.00 0.13 0.74 -0.51 0.00 0.00 0.00 175.76 176.12 1b5e s LEU 52 N -3.84 4.20 -0.73 0.00 1.43 -1.26 -5.02 118.68 113.46 1b5e s LEU 52 Ca 0.43 1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 54.57 1b5e s LEU 52 Cb -0.10 -3.09 0.18 0.00 0.03 0.00 0.00 46.19 43.21 1b5e s LEU 52 CO 0.33 -0.30 0.57 0.21 0.23 0.00 0.00 176.35 177.39 1b5e s ASN 53 N 1.09 5.53 0.42 2.29 3.04 -1.26 -4.93 114.94 121.12 1b5e s ASN 53 Ca 0.35 -3.18 0.09 0.00 0.04 0.00 0.00 52.86 50.16 1b5e s ASN 53 Cb -0.17 -1.88 0.90 0.00 -1.54 0.00 0.00 41.25 38.56 1b5e s ASN 53 CO 0.13 -0.30 2.03 0.44 -3.04 0.00 0.00 177.10 176.35 1b5e h ASP 54 N 6.65 0.33 -0.11 -4.21 3.32 -2.00 -2.21 116.42 118.19 1b5e h ASP 54 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1b5e h ASP 54 Cb 0.90 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1b5e h ASP 54 CO 0.76 0.31 0.07 -0.08 -1.72 0.00 0.00 179.24 178.58 1b5e h GLU 55 N 0.37 0.14 -0.26 3.56 4.22 -2.00 -2.21 114.58 118.40 1b5e h GLU 55 Ca 0.09 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 1b5e h GLU 55 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1b5e h GLU 55 CO -0.01 0.10 0.01 -0.92 -2.18 0.00 0.00 179.01 176.00 1b5e h TYR 56 N 0.15 0.50 -0.54 0.92 3.20 -1.84 -2.81 116.97 116.54 1b5e h TYR 56 Ca 0.04 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1b5e h TYR 56 Cb -0.01 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1b5e h TYR 56 CO -0.07 0.61 0.36 0.82 -1.64 0.00 0.00 178.16 178.23 1b5e h ILE 57 N 0.24 1.12 -0.17 1.81 2.04 -1.42 -1.26 117.51 119.87 1b5e h ILE 57 Ca 0.08 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1b5e h ILE 57 Cb 0.40 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1b5e h ILE 57 CO 0.01 0.13 -0.44 -0.61 0.00 0.00 0.00 178.15 177.24 1b5e h GLN 58 N 0.70 0.42 -0.50 2.37 5.75 -1.23 0.14 115.11 122.76 1b5e h GLN 58 Ca 0.20 -0.22 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 1b5e h GLN 58 Cb -0.04 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1b5e h GLN 58 CO -0.05 0.78 -0.14 0.00 -2.65 0.00 0.00 178.83 176.77 1b5e h ARG 59 N 0.34 0.98 -0.33 1.69 3.08 -1.13 -0.67 114.38 118.33 1b5e h ARG 59 Ca 0.03 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1b5e h ARG 59 Cb 0.91 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1b5e h ARG 59 CO 0.08 1.06 -0.27 1.49 -1.07 0.00 0.00 179.97 181.26 1b5e h GLU 60 N 0.84 0.68 -0.29 0.04 4.81 -0.91 -1.36 114.58 118.38 1b5e h GLU 60 Ca 0.12 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1b5e h GLU 60 Cb 0.71 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1b5e h GLU 60 CO 0.05 0.88 0.19 1.25 -0.73 0.00 0.00 179.01 180.65 1b5e h LEU 61 N 0.59 0.34 -0.77 1.64 5.85 -0.52 -0.33 115.31 122.12 1b5e h LEU 61 Ca 0.08 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1b5e h LEU 61 Cb 0.76 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1b5e h LEU 61 CO 0.06 0.26 0.49 -0.33 -0.34 0.00 0.00 178.44 178.58 1b5e h GLU 62 N 0.39 0.93 -0.69 1.25 4.39 -0.79 -0.13 114.58 119.93 1b5e h GLU 62 Ca 0.11 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1b5e h GLU 62 Cb -0.03 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 1b5e h GLU 62 CO -0.02 0.62 0.40 2.35 -1.16 0.00 0.00 179.01 181.19 1b5e h TRP 63 N 0.96 0.93 -0.83 4.33 7.01 -0.94 -1.85 115.95 125.56 1b5e h TRP 63 Ca 0.30 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 1b5e h TRP 63 Cb -0.00 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.72 1b5e h TRP 63 CO -0.03 0.64 0.37 1.88 -2.79 0.00 0.00 178.44 178.51 1b5e h TYR 64 N 0.94 1.23 0.00 2.65 0.05 -0.49 -2.00 116.97 119.35 1b5e h TYR 64 Ca 0.24 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1b5e h TYR 64 Cb 0.01 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.37 1b5e h TYR 64 CO -0.01 0.91 -0.11 0.87 -1.05 0.00 0.00 178.16 178.77 1b5e h LYS 65 N 1.20 0.00 0.00 4.88 1.57 -0.53 -1.58 116.57 122.12 1b5e h LYS 65 Ca 0.28 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1b5e h LYS 65 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1b5e h LYS 65 CO -0.03 0.11 -0.27 0.66 -0.57 0.00 0.00 179.45 179.35 1b5e h SER 66 N 0.00 0.00 -0.37 0.86 4.64 -0.61 -3.47 113.55 114.60 1b5e h SER 66 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1b5e h SER 66 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 1b5e h SER 66 CO 0.01 0.27 -0.14 0.29 -0.87 0.00 0.00 176.83 176.39 1b5e n LYS 67 N -3.24 -1.10 -2.49 4.77 5.02 -0.59 -4.97 118.16 115.55 1b5e n LYS 67 Ca 0.02 0.69 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 1b5e n LYS 67 Cb 0.56 -4.73 -0.04 0.00 -0.02 0.00 0.00 35.03 30.81 1b5e n LYS 67 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1b5e s SER 68 N -2.48 7.24 -0.03 4.39 0.15 -1.26 -4.55 113.70 117.16 1b5e s SER 68 Ca 0.00 2.11 0.09 0.00 0.70 0.00 0.00 55.95 58.85 1b5e s SER 68 Cb 0.00 -2.60 0.31 0.00 -1.71 0.00 0.00 66.02 62.02 1b5e s SER 68 CO 0.00 -0.24 1.19 0.18 1.20 0.00 0.00 173.24 175.57 1b5e n LEU 69 N 2.37 2.12 -4.39 3.45 4.77 -1.26 -4.81 117.00 119.24 1b5e n LEU 69 Ca 0.03 -1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 54.61 1b5e n LEU 69 Cb 0.46 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1b5e n LEU 69 CO 0.54 0.43 -0.43 -0.36 -1.33 0.00 0.00 177.39 176.24 1b5e s PHE 70 N -1.62 2.85 0.08 -1.77 0.08 -1.26 -0.36 117.98 115.97 1b5e s PHE 70 Ca 0.23 -0.59 0.28 0.00 0.12 0.00 0.00 56.93 56.97 1b5e s PHE 70 Cb 0.13 -1.86 1.08 0.00 -0.57 0.00 0.00 43.02 41.80 1b5e s PHE 70 CO 0.13 -0.19 1.88 -0.39 -0.10 0.00 0.00 175.22 176.55 1b5e h VAL 71 N 5.37 0.27 0.00 -0.44 -1.51 -1.50 -2.64 116.25 115.79 1b5e h VAL 71 Ca -0.27 -0.84 -0.02 0.00 -1.23 0.00 0.00 66.70 64.34 1b5e h VAL 71 Cb 1.21 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 1b5e h VAL 71 CO 0.57 0.11 -0.11 0.50 -1.23 0.00 0.00 177.57 177.40 1b5e h LYS 72 N 0.00 0.00 0.00 5.19 3.64 -1.95 -2.33 116.57 121.12 1b5e h LYS 72 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b5e h LYS 72 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1b5e h LYS 72 CO 0.01 0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 1b5e n ASP 73 N -3.51 0.00 -4.71 4.20 8.00 -1.00 -4.70 116.55 114.83 1b5e n ASP 73 Ca -0.01 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.78 1b5e n ASP 73 Cb 0.26 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1b5e n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b5e s ILE 74 N -2.36 2.94 0.25 0.53 1.01 -0.88 -4.73 121.20 117.97 1b5e s ILE 74 Ca 0.26 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.22 1b5e s ILE 74 Cb 0.15 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 39.09 1b5e s ILE 74 CO 0.30 0.04 1.35 -2.65 0.00 0.00 0.00 174.94 173.98 1b5e n PRO 75 N 4.37 1.92 0.00 2.79 -0.02 -1.26 -4.65 135.00 138.15 1b5e n PRO 75 Ca 0.14 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1b5e n PRO 75 Cb 0.40 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1b5e n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b5e n GLY 76 N 1.90 -0.92 3.68 -1.23 0.00 -1.26 -4.71 105.19 102.65 1b5e n GLY 76 Ca 0.11 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1b5e n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b5e s GLU 77 N 0.00 4.30 0.05 1.61 2.12 -1.26 -4.97 118.70 120.55 1b5e s GLU 77 Ca 0.00 1.80 -0.31 0.00 0.36 0.00 0.00 54.97 56.83 1b5e s GLU 77 Cb 0.00 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.69 1b5e s GLU 77 CO 0.00 -0.56 1.54 0.99 -0.54 0.00 0.00 175.26 176.69 1b5e s THR 78 N 2.60 3.26 0.48 -1.70 2.01 -1.26 -4.96 115.64 116.07 1b5e s THR 78 Ca 0.59 0.72 -0.23 0.00 0.31 0.00 0.00 61.69 63.08 1b5e s THR 78 Cb -0.27 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1b5e s THR 78 CO 0.23 0.01 1.21 -2.65 -0.69 0.00 0.00 174.62 172.72 1b5e n PRO 79 N 5.31 1.65 0.26 4.92 -0.02 -1.26 -4.83 135.00 141.03 1b5e n PRO 79 Ca 0.14 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1b5e n PRO 79 Cb 0.42 -2.35 0.69 0.00 -0.02 0.00 0.00 33.50 32.24 1b5e n PRO 79 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1b5e h LYS 80 N 1.63 0.00 -0.36 -0.52 2.10 -1.99 -1.64 116.57 115.80 1b5e h LYS 80 Ca -0.48 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.13 1b5e h LYS 80 Cb 1.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.62 1b5e h LYS 80 CO 0.57 0.13 0.06 -0.84 -2.00 0.00 0.00 179.45 177.37 1b5e h ILE 81 N 0.00 1.18 0.05 0.07 3.07 -2.00 -0.06 117.51 119.81 1b5e h ILE 81 Ca -0.00 -0.66 -0.24 0.00 1.55 0.00 0.00 64.86 65.51 1b5e h ILE 81 Cb 0.42 0.85 -0.02 0.00 -0.27 0.00 0.00 36.82 37.80 1b5e h ILE 81 CO 0.02 0.23 -1.13 -0.50 -1.05 0.00 0.00 178.15 175.72 1b5e h TRP 82 N 0.52 0.17 -0.30 0.16 4.06 -1.69 -3.28 115.95 115.60 1b5e h TRP 82 Ca 0.12 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1b5e h TRP 82 Cb 0.25 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1b5e h TRP 82 CO 0.01 1.11 0.12 1.96 -3.56 0.00 0.00 178.44 178.07 1b5e h GLN 83 N 0.03 0.44 0.00 0.49 4.20 -0.68 -2.93 115.11 116.66 1b5e h GLN 83 Ca -0.07 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1b5e h GLN 83 Cb 1.86 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.56 1b5e h GLN 83 CO 0.15 0.46 -0.04 -0.56 -0.67 0.00 0.00 178.83 178.17 1b5e h GLN 84 N 0.33 0.00 0.00 1.46 3.07 -1.14 -2.75 115.11 116.09 1b5e h GLN 84 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1b5e h GLN 84 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1b5e h GLN 84 CO -0.01 0.04 -0.80 0.28 0.09 0.00 0.00 178.83 178.43 1b5e n VAL 85 N -3.14 0.17 -1.86 1.86 0.31 -1.19 -4.77 118.33 109.71 1b5e n VAL 85 Ca 0.01 -0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 63.85 1b5e n VAL 85 Cb 0.36 0.17 0.02 0.00 -0.91 0.00 0.00 33.84 33.48 1b5e n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b5e s ALA 86 N -3.13 3.00 1.11 3.52 0.00 -1.04 -0.88 121.76 124.34 1b5e s ALA 86 Ca 0.06 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 1b5e s ALA 86 Cb 0.15 -3.06 0.24 0.00 0.00 0.00 0.00 23.12 20.44 1b5e s ALA 86 CO 0.76 -0.88 1.12 -1.13 0.00 0.00 0.00 175.76 175.63 1b5e n SER 87 N -2.86 -0.90 0.31 0.00 3.41 0.44 -4.25 113.62 109.76 1b5e n SER 87 Ca 0.06 -1.29 0.20 0.00 -0.26 0.00 0.00 58.87 57.59 1b5e n SER 87 Cb 0.55 -0.93 0.97 0.00 -0.26 0.00 0.00 64.21 64.54 1b5e n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1b5e h SER 88 N -2.07 0.00 -0.56 4.04 4.64 -1.64 -1.08 113.55 116.89 1b5e h SER 88 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1b5e h SER 88 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1b5e h SER 88 CO 0.26 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.53 1b5e n LYS 89 N -3.15 2.85 -0.90 4.77 5.02 -1.26 -4.96 118.16 120.53 1b5e n LYS 89 Ca -0.02 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1b5e n LYS 89 Cb 0.18 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1b5e n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b5e n GLY 90 N 1.10 0.47 3.89 0.72 0.00 -0.41 -4.98 105.19 105.98 1b5e n GLY 90 Ca 0.19 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1b5e n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b5e s GLU 91 N -1.44 3.64 0.32 1.61 2.12 -1.26 -1.25 118.70 122.45 1b5e s GLU 91 Ca 0.00 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.33 1b5e s GLU 91 Cb 0.00 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1b5e s GLU 91 CO 0.00 0.47 0.15 0.44 -0.54 0.00 0.00 175.26 175.78 1b5e n ILE 92 N 0.20 0.00 -0.10 -3.70 -6.64 0.51 -0.42 119.36 109.21 1b5e n ILE 92 Ca -0.03 -1.98 -0.14 0.00 -1.77 0.00 0.00 62.75 58.83 1b5e n ILE 92 Cb 0.52 0.78 -0.10 0.00 -1.44 0.00 0.00 39.64 39.40 1b5e n ILE 92 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1b5e n ASN 93 N -1.70 2.26 -2.47 7.28 3.02 -1.26 -4.84 115.26 117.55 1b5e n ASN 93 Ca -0.02 -0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.18 1b5e n ASN 93 Cb 0.50 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.39 1b5e n ASN 93 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1b5e n SER 94 N -3.06 6.37 -4.54 6.41 7.64 -1.26 -4.81 113.62 120.38 1b5e n SER 94 Ca -0.36 -3.06 -0.43 0.00 1.01 0.00 0.00 58.87 56.03 1b5e n SER 94 Cb 0.90 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 1b5e n SER 94 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1b5e s ASN 95 N 0.67 6.39 0.43 6.43 3.84 -1.26 -4.92 114.94 126.52 1b5e s ASN 95 Ca 0.60 -0.16 0.23 0.00 0.21 0.00 0.00 52.86 53.74 1b5e s ASN 95 Cb 0.36 -2.37 0.92 0.00 -0.55 0.00 0.00 41.25 39.61 1b5e s ASN 95 CO -0.17 -0.88 1.83 1.88 -2.79 0.00 0.00 177.10 176.97 1b5e h TYR 96 N 8.95 0.00 -0.43 0.43 0.05 -1.91 -1.49 116.97 122.57 1b5e h TYR 96 Ca -0.25 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.49 1b5e h TYR 96 Cb 1.09 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 1b5e h TYR 96 CO 0.78 0.26 0.11 0.78 -1.05 0.00 0.00 178.16 179.04 1b5e h GLY 97 N 1.88 0.73 0.92 3.88 0.00 -1.91 -1.85 103.07 106.72 1b5e h GLY 97 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1b5e h GLY 97 CO 0.03 0.42 0.49 -0.25 0.00 0.00 0.00 176.54 177.24 1b5e h TRP 98 N 0.55 0.92 -0.87 5.60 7.01 -1.59 0.86 115.95 128.44 1b5e h TRP 98 Ca 0.13 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1b5e h TRP 98 Cb 0.31 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 1b5e h TRP 98 CO 0.02 0.55 0.57 0.00 -2.79 0.00 0.00 178.44 176.79 1b5e h ALA 99 N 1.31 1.11 0.00 2.65 0.00 -0.90 -1.91 119.26 121.51 1b5e h ALA 99 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1b5e h ALA 99 Cb -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1b5e h ALA 99 CO -0.09 0.48 -1.65 0.44 0.00 0.00 0.00 179.25 178.43 1b5e n ILE 100 N -4.49 0.00 0.07 0.00 -5.35 -0.73 -4.46 119.36 104.40 1b5e n ILE 100 Ca 0.10 -0.34 0.03 0.00 -0.27 0.00 0.00 62.75 62.27 1b5e n ILE 100 Cb 0.03 0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.20 1b5e n ILE 100 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1b5e n TRP 101 N -2.00 0.00 -2.48 4.28 8.01 0.28 -0.63 117.44 124.91 1b5e n TRP 101 Ca -0.02 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.79 1b5e n TRP 101 Cb 0.47 -0.11 -0.04 0.00 -2.01 0.00 0.00 31.31 29.62 1b5e n TRP 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1b5e s SER 102 N -2.44 7.05 0.50 -0.99 0.15 -0.72 -4.84 113.70 112.42 1b5e s SER 102 Ca -0.01 2.20 0.28 0.00 0.70 0.00 0.00 55.95 59.12 1b5e s SER 102 Cb 0.04 -2.61 1.26 0.00 -1.71 0.00 0.00 66.02 63.00 1b5e s SER 102 CO 0.26 -0.29 1.97 1.05 1.20 0.00 0.00 173.24 177.43 1b5e h GLU 103 N 3.31 0.00 0.00 5.44 -0.00 -1.95 -2.51 114.58 118.88 1b5e h GLU 103 Ca -0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 58.84 1b5e h GLU 103 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.96 1b5e h GLU 103 CO 0.65 0.14 -0.24 -0.44 -0.00 0.00 0.00 179.01 179.12 1b5e h ASP 104 N 0.00 0.00 -0.61 3.06 3.32 -1.91 -1.57 116.42 118.71 1b5e h ASP 104 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1b5e h ASP 104 Cb 0.53 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.97 1b5e h ASP 104 CO 0.02 0.24 0.19 -3.20 -1.72 0.00 0.00 179.24 174.77 1b5e n ASN 105 N -4.03 4.38 -1.68 6.45 5.15 -1.08 -4.96 115.26 119.49 1b5e n ASN 105 Ca -0.02 -3.27 -0.12 0.00 -0.60 0.00 0.00 54.58 50.57 1b5e n ASN 105 Cb 0.31 -0.70 0.02 0.00 -0.53 0.00 0.00 39.78 38.88 1b5e n ASN 105 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1b5e n TYR 106 N -0.35 -0.99 -3.50 1.20 4.01 -0.59 -4.25 117.16 112.68 1b5e n TYR 106 Ca 0.37 0.24 -0.21 0.00 -0.16 0.00 0.00 57.90 58.14 1b5e n TYR 106 Cb 1.27 -2.87 0.06 0.00 -0.31 0.00 0.00 39.34 37.49 1b5e n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b5e n ALA 107 N -2.56 -2.29 -0.12 -0.72 0.00 -0.97 -4.84 120.51 109.01 1b5e n ALA 107 Ca -0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1b5e n ALA 107 Cb 0.57 -3.79 -0.01 0.00 0.00 0.00 0.00 19.45 16.22 1b5e n ALA 107 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1b5e h GLN 108 N -1.62 0.54 0.28 0.00 1.08 -1.70 -1.31 115.11 112.39 1b5e h GLN 108 Ca -0.62 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 56.48 1b5e h GLN 108 Cb 1.34 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1b5e h GLN 108 CO 0.49 0.50 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.82 1b5e h TYR 109 N 0.45 -0.35 -0.81 2.96 3.20 -1.20 -1.81 116.97 119.42 1b5e h TYR 109 Ca 0.13 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1b5e h TYR 109 Cb 0.15 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1b5e h TYR 109 CO -0.01 -0.15 0.49 -0.44 -1.64 0.00 0.00 178.16 176.41 1b5e h ASP 110 N -0.47 0.97 -0.07 -2.11 3.32 -1.74 -0.80 116.42 115.52 1b5e h ASP 110 Ca -0.04 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 1b5e h ASP 110 Cb 0.35 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1b5e h ASP 110 CO 0.06 0.74 -0.70 0.24 -1.72 0.00 0.00 179.24 177.87 1b5e h MET 111 N 1.12 0.70 -0.67 3.56 2.86 -1.16 -0.88 114.93 120.47 1b5e h MET 111 Ca 0.29 -0.53 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 1b5e h MET 111 Cb -0.05 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1b5e h MET 111 CO -0.06 1.15 0.11 0.00 1.06 0.00 0.00 176.91 179.17 1b5e h LEU 113 N 1.03 0.57 -0.72 0.00 5.85 -1.06 -0.99 115.31 119.99 1b5e h LEU 113 Ca 0.20 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1b5e h LEU 113 Cb 0.44 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1b5e h LEU 113 CO 0.01 0.49 0.17 0.00 -0.34 0.00 0.00 178.44 178.77 1b5e h ALA 114 N 1.11 0.95 0.09 1.25 0.00 -0.93 0.60 119.26 122.33 1b5e h ALA 114 Ca 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b5e h ALA 114 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1b5e h ALA 114 CO -0.03 0.67 -0.04 1.49 0.00 0.00 0.00 179.25 181.34 1b5e h GLU 115 N 1.08 -0.12 0.00 0.00 4.57 -0.78 -2.39 114.58 116.94 1b5e h GLU 115 Ca 0.22 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.32 1b5e h GLU 115 Cb 0.38 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1b5e h GLU 115 CO 0.00 0.02 -0.43 -0.07 -1.18 0.00 0.00 179.01 177.34 1b5e h LEU 116 N -0.23 0.00 -1.12 1.64 3.38 -1.08 -0.29 115.31 117.61 1b5e h LEU 116 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1b5e h LEU 116 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1b5e h LEU 116 CO 0.02 0.43 -0.41 1.23 0.09 0.00 0.00 178.44 179.81 1b5e h GLY 117 N 1.73 0.07 0.62 0.83 0.00 -0.77 -3.04 103.07 102.51 1b5e h GLY 117 Ca -0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 47.33 46.92 1b5e h GLY 117 CO 0.06 0.06 -1.81 -1.61 0.00 0.00 0.00 176.54 173.24 1b5e h GLN 118 N 0.06 0.27 -3.07 4.80 4.15 -1.11 -3.44 115.11 116.77 1b5e h GLN 118 Ca 0.00 -0.46 -0.57 0.00 0.77 0.00 0.00 58.65 58.40 1b5e h GLN 118 Cb 0.74 0.17 -0.40 0.00 0.21 0.00 0.00 27.48 28.21 1b5e h GLN 118 CO 0.06 1.22 -0.78 1.21 -1.93 0.00 0.00 178.83 178.61 1b5e s ASN 119 N -7.08 3.65 0.59 -0.69 3.04 -0.15 -5.00 114.94 109.30 1b5e s ASN 119 Ca -0.21 -1.69 0.35 0.00 0.04 0.00 0.00 52.86 51.34 1b5e s ASN 119 Cb 0.06 -0.62 1.85 0.00 -1.54 0.00 0.00 41.25 41.00 1b5e s ASN 119 CO 0.77 -0.39 2.20 -0.65 -3.04 0.00 0.00 177.10 175.99 1b5e h PRO 120 N 7.91 0.00 -0.01 0.43 0.11 -1.77 -1.23 132.00 137.43 1b5e h PRO 120 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1b5e h PRO 120 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1b5e h PRO 120 CO 0.43 0.04 -0.07 -0.25 -0.21 0.00 0.00 178.00 177.93 1b5e n ASP 121 N -3.40 1.21 -4.64 -2.05 8.00 -1.26 -4.03 116.55 110.39 1b5e n ASP 121 Ca -0.02 -1.25 -0.41 0.00 0.71 0.00 0.00 54.79 53.82 1b5e n ASP 121 Cb 0.16 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1b5e n ASP 121 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1b5e n SER 122 N -0.19 1.62 -0.77 -2.24 2.88 -0.47 -4.91 113.62 109.54 1b5e n SER 122 Ca 0.17 1.05 0.13 0.00 -1.33 0.00 0.00 58.87 58.88 1b5e n SER 122 Cb 0.33 -1.40 0.28 0.00 -0.75 0.00 0.00 64.21 62.68 1b5e n SER 122 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1b5e n ARG 123 N 0.05 2.06 -0.60 -1.46 1.74 -1.26 -4.33 116.66 112.85 1b5e n ARG 123 Ca 0.09 -1.55 0.08 0.00 -0.77 0.00 0.00 57.85 55.71 1b5e n ARG 123 Cb 0.40 -1.47 0.33 0.00 -1.02 0.00 0.00 32.46 30.70 1b5e n ARG 123 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1b5e n ARG 124 N 0.86 3.75 -2.82 5.56 1.74 -1.26 -4.85 116.66 119.66 1b5e n ARG 124 Ca 0.16 -2.86 -0.43 0.00 -0.77 0.00 0.00 57.85 53.96 1b5e n ARG 124 Cb 0.50 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 1b5e n ARG 124 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1b5e s GLY 125 N -1.08 1.38 -0.06 -0.13 0.00 -1.26 -4.94 107.32 101.22 1b5e s GLY 125 Ca 0.48 -1.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.17 1b5e s GLY 125 CO 0.19 2.16 0.25 -1.50 0.00 0.00 0.00 173.10 174.20 1b5e s ILE 126 N 4.13 0.03 -0.27 0.90 2.07 -1.26 -0.63 121.20 126.17 1b5e s ILE 126 Ca 0.26 -0.24 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1b5e s ILE 126 Cb -0.13 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.04 1b5e s ILE 126 CO 0.07 -0.13 -0.00 -0.04 -1.91 0.00 0.00 174.94 172.93 1b5e s MET 127 N -0.47 2.91 -0.46 3.50 -1.94 1.00 -4.57 119.30 119.27 1b5e s MET 127 Ca -0.06 -0.95 -0.18 0.00 -1.71 0.00 0.00 55.69 52.79 1b5e s MET 127 Cb -0.04 -3.15 0.04 0.00 2.01 0.00 0.00 34.83 33.69 1b5e s MET 127 CO 0.01 -0.43 0.54 0.42 -0.01 0.00 0.00 175.02 175.55 1b5e s ILE 128 N 1.39 4.98 -0.14 2.53 1.01 -1.26 -0.94 121.20 128.76 1b5e s ILE 128 Ca 0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 1b5e s ILE 128 Cb -0.17 -4.16 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 1b5e s ILE 128 CO -0.01 -0.59 0.47 1.88 0.00 0.00 0.00 174.94 176.69 1b5e h TYR 129 N 8.85 0.00 -3.97 3.97 -1.99 -1.45 -3.48 116.97 118.90 1b5e h TYR 129 Ca -0.27 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.01 1b5e h TYR 129 Cb 1.10 0.00 0.13 0.00 2.00 0.00 0.00 36.73 39.96 1b5e h TYR 129 CO 0.68 0.82 0.36 -0.08 -0.00 0.00 0.00 178.16 179.94 1b5e s THR 130 N -2.10 2.05 0.04 -2.88 -1.32 -0.95 -4.97 115.64 105.51 1b5e s THR 130 Ca -0.16 -0.10 -0.16 0.00 -1.21 0.00 0.00 61.69 60.06 1b5e s THR 130 Cb -0.01 -2.96 0.03 0.00 -1.51 0.00 0.00 72.50 68.05 1b5e s THR 130 CO 0.51 0.00 0.36 0.00 -2.21 0.00 0.00 174.62 173.27 1b5e s ARG 131 N -5.64 0.85 0.36 7.08 1.70 -1.26 -5.05 118.95 116.99 1b5e s ARG 131 Ca 0.68 -0.41 0.06 0.00 -0.47 0.00 0.00 55.73 55.59 1b5e s ARG 131 Cb -0.07 0.38 0.74 0.00 -0.57 0.00 0.00 34.95 35.43 1b5e s ARG 131 CO 0.50 -0.28 1.94 -1.35 -1.08 0.00 0.00 175.30 175.03 1b5e h PRO 132 N 3.17 0.74 0.00 3.89 0.11 -2.04 -0.93 132.00 136.94 1b5e h PRO 132 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1b5e h PRO 132 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1b5e h PRO 132 CO 0.44 0.49 0.00 -1.13 -0.21 0.00 0.00 178.00 177.59 1b5e n SER 133 N -4.49 0.00 0.29 -2.05 3.41 -1.26 -2.57 113.62 106.95 1b5e n SER 133 Ca 0.12 0.05 0.19 0.00 -0.26 0.00 0.00 58.87 58.97 1b5e n SER 133 Cb 0.27 -0.27 0.99 0.00 -0.26 0.00 0.00 64.21 64.94 1b5e n SER 133 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1b5e h MET 134 N 0.00 0.00 -0.02 4.33 -1.53 -1.57 0.15 114.93 116.29 1b5e h MET 134 Ca 0.00 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.27 1b5e h MET 134 Cb 0.13 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1b5e h MET 134 CO 0.00 0.00 0.02 1.96 0.14 0.00 0.00 176.91 179.03 1b5e h GLN 135 N 0.00 0.00 0.00 0.39 1.08 -1.72 -2.84 115.11 112.01 1b5e h GLN 135 Ca 0.02 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 1b5e h GLN 135 Cb 0.25 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1b5e h GLN 135 CO -0.00 0.00 -1.56 1.19 -0.95 0.00 0.00 178.83 177.51 1b5e n PHE 136 N -3.93 0.00 0.27 2.96 3.72 0.32 -4.69 117.46 116.11 1b5e n PHE 136 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1b5e n PHE 136 Cb 0.11 -0.40 0.41 0.00 -0.94 0.00 0.00 39.48 38.66 1b5e n PHE 136 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1b5e h ASP 137 N 0.00 0.00 0.05 4.37 3.32 -0.91 -3.35 116.42 119.91 1b5e h ASP 137 Ca -0.22 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1b5e h ASP 137 Cb 1.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1b5e h ASP 137 CO 0.01 0.00 -0.02 0.10 -1.72 0.00 0.00 179.24 177.62 1b5e h TYR 138 N 0.00 0.00 0.00 4.55 -0.00 -1.72 -2.61 116.97 117.19 1b5e h TYR 138 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 1b5e h TYR 138 Cb 0.76 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 37.42 1b5e h TYR 138 CO 0.00 0.02 -0.49 0.27 -0.00 0.00 0.00 178.16 177.96 1b5e n ASN 139 N -3.69 1.59 -4.64 0.10 6.94 -1.25 -0.92 115.26 113.38 1b5e n ASN 139 Ca -0.03 -3.23 -0.49 0.00 -0.02 0.00 0.00 54.58 50.82 1b5e n ASN 139 Cb 0.10 -0.44 -0.05 0.00 -2.36 0.00 0.00 39.78 37.03 1b5e n ASN 139 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1b5e n LYS 140 N -0.81 1.71 -1.99 -3.83 4.81 -0.98 -1.02 118.16 116.05 1b5e n LYS 140 Ca 0.14 0.62 -0.14 0.00 -0.87 0.00 0.00 58.31 58.07 1b5e n LYS 140 Cb 0.76 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.45 1b5e n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1b5e n ASP 141 N 3.20 -3.93 0.00 3.14 8.00 -1.26 -1.35 116.55 124.35 1b5e n ASP 141 Ca 0.18 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1b5e n ASP 141 Cb 0.24 -3.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1b5e n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b5e n GLY 142 N -0.59 0.60 3.73 0.44 0.00 -0.19 -1.81 105.19 107.38 1b5e n GLY 142 Ca -0.15 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1b5e n GLY 142 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1b5e s MET 143 N -0.42 1.39 -0.55 1.61 0.23 -0.45 -4.62 119.30 116.49 1b5e s MET 143 Ca 0.00 0.84 0.04 0.00 -1.03 0.00 0.00 55.69 55.54 1b5e s MET 143 Cb 0.00 -1.82 0.17 0.00 -1.53 0.00 0.00 34.83 31.65 1b5e s MET 143 CO 0.00 -2.15 0.41 0.45 -2.03 0.00 0.00 175.02 171.70 1b5e s SER 144 N -3.45 3.07 -0.43 -1.18 0.15 -0.06 -4.01 113.70 107.79 1b5e s SER 144 Ca 0.63 -3.42 0.05 0.00 0.70 0.00 0.00 55.95 53.91 1b5e s SER 144 Cb -0.18 -1.01 0.17 0.00 -1.71 0.00 0.00 66.02 63.30 1b5e s SER 144 CO 0.57 -0.13 0.46 -0.62 1.20 0.00 0.00 173.24 174.71 1b5e s ASP 145 N -0.63 0.52 -0.34 5.45 2.15 -0.09 -4.81 116.67 118.91 1b5e s ASP 145 Ca 0.29 -2.22 -0.21 0.00 0.43 0.00 0.00 52.55 50.84 1b5e s ASP 145 Cb -0.01 0.55 -0.00 0.00 -0.30 0.00 0.00 42.92 43.16 1b5e s ASP 145 CO -0.18 -0.16 0.64 0.12 -0.17 0.00 0.00 175.17 175.42 1b5e s PHE 146 N 0.73 3.17 -0.44 -5.34 2.19 -1.26 -4.46 117.98 112.56 1b5e s PHE 146 Ca 0.27 0.43 -0.45 0.00 0.33 0.00 0.00 56.93 57.51 1b5e s PHE 146 Cb -0.03 -3.11 -0.19 0.00 -1.31 0.00 0.00 43.02 38.38 1b5e s PHE 146 CO -0.10 -0.59 1.62 -0.12 1.83 0.00 0.00 175.22 177.87 1b5e n MET 147 N 6.01 0.25 0.11 10.12 0.00 -1.26 -4.87 117.12 127.49 1b5e n MET 147 Ca -0.01 0.09 0.11 0.00 -0.00 0.00 0.00 57.70 57.89 1b5e n MET 147 Cb 0.49 -1.63 0.01 0.00 0.00 0.00 0.00 33.22 32.09 1b5e n MET 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b5e s THR 149 N -3.32 5.17 -0.08 0.00 2.01 -1.26 -0.25 115.64 117.91 1b5e s THR 149 Ca 0.00 0.80 -0.04 0.00 0.31 0.00 0.00 61.69 62.76 1b5e s THR 149 Cb 0.09 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1b5e s THR 149 CO 0.78 0.24 -0.08 0.78 -0.69 0.00 0.00 174.62 175.65 1b5e h ASN 150 N 7.33 0.00 -5.08 3.53 2.35 -1.18 -3.28 115.58 119.24 1b5e h ASN 150 Ca -0.36 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.28 1b5e h ASN 150 Cb 1.16 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.36 1b5e h ASN 150 CO 0.73 0.41 -0.41 0.42 -1.65 0.00 0.00 177.43 176.93 1b5e s THR 151 N -1.63 0.12 -0.09 2.81 -4.23 -1.12 -1.31 115.64 110.18 1b5e s THR 151 Ca -0.07 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1b5e s THR 151 Cb 0.01 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.91 1b5e s THR 151 CO 0.10 -0.53 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.92 1b5e s VAL 152 N -2.73 0.74 -0.03 2.29 1.01 -0.11 -1.14 120.40 120.42 1b5e s VAL 152 Ca -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1b5e s VAL 152 Cb -0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1b5e s VAL 152 CO -0.05 0.32 0.08 -1.58 0.00 0.00 0.00 175.10 173.86 1b5e s GLN 153 N 1.75 3.10 -0.13 2.72 0.74 -0.52 -0.00 119.66 127.33 1b5e s GLN 153 Ca 0.04 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.04 1b5e s GLN 153 Cb -0.13 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.11 1b5e s GLN 153 CO -0.06 0.67 -0.20 0.71 -0.55 0.00 0.00 175.29 175.86 1b5e s TYR 154 N -1.13 2.44 -0.13 1.67 2.02 0.20 -0.15 117.35 122.26 1b5e s TYR 154 Ca 0.20 -1.21 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 1b5e s TYR 154 Cb -0.12 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 1b5e s TYR 154 CO 0.11 -0.57 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.90 1b5e s LEU 155 N 0.87 1.49 -0.42 -1.29 1.43 0.10 -4.46 118.68 116.40 1b5e s LEU 155 Ca -0.07 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.43 1b5e s LEU 155 Cb -0.15 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.05 1b5e s LEU 155 CO -0.02 -0.08 0.56 -0.63 0.23 0.00 0.00 176.35 176.41 1b5e s ILE 156 N 1.54 4.94 -0.04 -0.59 1.01 -1.26 -0.80 121.20 126.00 1b5e s ILE 156 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.68 1b5e s ILE 156 Cb -0.13 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.24 1b5e s ILE 156 CO -0.09 -0.49 -0.04 -0.13 0.00 0.00 0.00 174.94 174.19 1b5e s ARG 157 N 2.54 0.74 -1.44 2.79 1.81 -0.06 -4.65 118.95 120.67 1b5e s ARG 157 Ca 0.19 -0.07 -0.11 0.00 -1.72 0.00 0.00 55.73 54.01 1b5e s ARG 157 Cb -0.15 -0.78 0.05 0.00 -0.45 0.00 0.00 34.95 33.61 1b5e s ARG 157 CO 0.16 -0.10 1.10 -0.25 -0.68 0.00 0.00 175.30 175.53 1b5e n ASP 158 N 4.09 -5.65 -0.51 0.23 8.00 -1.26 -1.67 116.55 119.77 1b5e n ASP 158 Ca -0.25 -0.65 -0.07 0.00 0.71 0.00 0.00 54.79 54.54 1b5e n ASP 158 Cb 0.51 -4.50 -0.03 0.00 -0.02 0.00 0.00 41.12 37.07 1b5e n ASP 158 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1b5e n LYS 159 N -4.86 -1.57 -4.63 -1.24 5.02 -1.26 -4.97 118.16 104.65 1b5e n LYS 159 Ca 0.02 0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 56.67 1b5e n LYS 159 Cb 0.54 -4.99 -0.11 0.00 -0.02 0.00 0.00 35.03 30.45 1b5e n LYS 159 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b5e s LYS 160 N -2.41 2.79 -0.37 1.97 1.02 -0.67 -1.20 119.74 120.88 1b5e s LYS 160 Ca 0.00 -0.56 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 1b5e s LYS 160 Cb 0.00 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1b5e s LYS 160 CO 0.00 0.63 0.29 0.42 -0.92 0.00 0.00 175.35 175.77 1b5e s ILE 161 N -0.72 5.25 -0.10 2.17 1.01 -0.14 -0.89 121.20 127.78 1b5e s ILE 161 Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1b5e s ILE 161 Cb -0.11 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1b5e s ILE 161 CO 0.02 -0.15 0.21 0.20 0.00 0.00 0.00 174.94 175.21 1b5e s ASN 162 N 1.71 6.48 -0.17 3.58 0.01 0.02 0.05 114.94 126.63 1b5e s ASN 162 Ca 0.07 0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 52.75 1b5e s ASN 162 Cb -0.18 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 1b5e s ASN 162 CO 0.11 0.37 -0.04 0.00 -1.51 0.00 0.00 177.10 176.03 1b5e s ALA 163 N -0.91 2.95 -0.43 0.60 0.00 -0.29 -0.72 121.76 122.95 1b5e s ALA 163 Ca 0.17 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 1b5e s ALA 163 Cb -0.13 -1.59 0.09 0.00 0.00 0.00 0.00 23.12 21.49 1b5e s ALA 163 CO 0.06 0.05 0.28 0.08 0.00 0.00 0.00 175.76 176.22 1b5e s VAL 164 N 0.65 4.09 -0.26 0.00 1.01 0.78 -0.25 120.40 126.44 1b5e s VAL 164 Ca -0.02 -1.60 -0.19 0.00 0.00 0.00 0.00 61.98 60.18 1b5e s VAL 164 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1b5e s VAL 164 CO 0.02 -0.60 0.54 -0.69 0.00 0.00 0.00 175.10 174.37 1b5e s VAL 165 N 1.37 5.05 -0.35 2.92 1.01 0.61 -1.43 120.40 129.58 1b5e s VAL 165 Ca 0.04 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 1b5e s VAL 165 Cb -0.24 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.33 1b5e s VAL 165 CO 0.00 0.08 0.11 0.21 0.00 0.00 0.00 175.10 175.50 1b5e s ASN 166 N 1.50 5.30 -0.01 3.32 2.47 -0.29 0.00 114.94 127.24 1b5e s ASN 166 Ca 0.23 -1.25 0.06 0.00 0.42 0.00 0.00 52.86 52.32 1b5e s ASN 166 Cb -0.16 -1.86 -0.03 0.00 -1.45 0.00 0.00 41.25 37.76 1b5e s ASN 166 CO 0.09 -0.35 -0.19 -0.04 -3.72 0.00 0.00 177.10 172.88 1b5e s MET 167 N 1.37 2.22 0.10 0.43 -1.94 0.83 -0.64 119.30 121.67 1b5e s MET 167 Ca -0.01 -0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 53.01 1b5e s MET 167 Cb -0.20 -2.21 -0.17 0.00 2.01 0.00 0.00 34.83 34.27 1b5e s MET 167 CO 0.02 0.57 1.24 -0.09 -0.01 0.00 0.00 175.02 176.75 1b5e h ARG 168 N 5.09 0.53 -2.16 2.03 2.43 -0.91 -0.27 114.38 121.12 1b5e h ARG 168 Ca -0.46 -0.59 -0.04 0.00 -0.81 0.00 0.00 59.98 58.08 1b5e h ARG 168 Cb 1.14 0.17 -0.22 0.00 -0.42 0.00 0.00 29.97 30.65 1b5e h ARG 168 CO 0.48 1.21 0.01 0.45 -1.51 0.00 0.00 179.97 180.62 1b5e s SER 169 N -7.19 -0.74 -0.21 -3.80 0.15 -1.23 -1.72 113.70 98.96 1b5e s SER 169 Ca -0.07 1.33 -0.08 0.00 0.70 0.00 0.00 55.95 57.83 1b5e s SER 169 Cb 0.08 1.30 0.09 0.00 -1.71 0.00 0.00 66.02 65.78 1b5e s SER 169 CO 0.89 -0.23 0.45 0.21 1.20 0.00 0.00 173.24 175.76 1b5e s ASN 170 N 0.78 -0.40 -0.02 5.45 3.04 -0.71 -4.75 114.94 118.33 1b5e s ASN 170 Ca -0.04 1.05 -0.30 0.00 0.04 0.00 0.00 52.86 53.62 1b5e s ASN 170 Cb -0.05 1.36 -0.04 0.00 -1.54 0.00 0.00 41.25 40.98 1b5e s ASN 170 CO -0.06 -0.23 1.23 -0.62 -3.04 0.00 0.00 177.10 174.39 1b5e s ASP 171 N 2.44 7.03 0.35 -4.21 2.15 -1.26 -1.89 116.67 121.28 1b5e s ASP 171 Ca -0.03 1.90 0.03 0.00 0.43 0.00 0.00 52.55 54.88 1b5e s ASP 171 Cb -0.11 -2.56 0.66 0.00 -0.30 0.00 0.00 42.92 40.60 1b5e s ASP 171 CO -0.14 -0.58 1.98 0.58 -0.17 0.00 0.00 175.17 176.84 1b5e h VAL 172 N 4.89 1.16 0.00 1.11 2.07 -1.26 0.20 116.25 124.44 1b5e h VAL 172 Ca -0.36 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1b5e h VAL 172 Cb 1.17 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1b5e h VAL 172 CO 0.87 0.18 -0.38 0.52 0.02 0.00 0.00 177.57 178.78 1b5e n VAL 173 N -4.40 0.97 -0.02 2.57 0.31 -1.26 -4.15 118.33 112.35 1b5e n VAL 173 Ca 0.05 0.30 -0.18 0.00 -0.01 0.00 0.00 64.34 64.50 1b5e n VAL 173 Cb 0.10 -2.11 -0.13 0.00 -0.91 0.00 0.00 33.84 30.78 1b5e n VAL 173 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1b5e h PHE 174 N -0.68 0.25 0.19 3.52 0.04 -1.89 -3.34 116.94 115.02 1b5e h PHE 174 Ca 0.00 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 1b5e h PHE 174 Cb 0.38 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1b5e h PHE 174 CO -0.16 1.26 -0.09 0.78 -0.60 0.00 0.00 178.31 179.50 1b5e h GLY 175 N -0.62 -0.27 0.97 -1.45 0.00 -1.71 -2.35 103.07 97.64 1b5e h GLY 175 Ca -0.15 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1b5e h GLY 175 CO 0.03 -0.10 0.12 -2.75 0.00 0.00 0.00 176.54 173.84 1b5e h PHE 176 N -0.28 0.80 -0.13 5.60 3.57 -0.77 0.14 116.94 125.86 1b5e h PHE 176 Ca -0.03 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.41 1b5e h PHE 176 Cb 0.22 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1b5e h PHE 176 CO -0.06 0.72 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.60 1b5e h ARG 177 N 0.65 -0.03 -0.23 1.11 2.43 -1.66 0.24 114.38 116.88 1b5e h ARG 177 Ca 0.15 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1b5e h ARG 177 Cb 0.31 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1b5e h ARG 177 CO 0.00 -0.02 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.48 1b5e h ASN 178 N -0.03 0.44 0.12 -3.80 2.35 -1.19 -2.49 115.58 110.98 1b5e h ASN 178 Ca 0.07 -0.35 -0.13 0.00 -0.55 0.00 0.00 56.30 55.33 1b5e h ASN 178 Cb 0.14 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1b5e h ASN 178 CO -0.16 0.69 -0.47 0.44 -1.65 0.00 0.00 177.43 176.28 1b5e h ASP 179 N 0.18 0.45 -0.22 5.81 3.32 -0.50 -2.06 116.42 123.40 1b5e h ASP 179 Ca 0.06 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1b5e h ASP 179 Cb 0.49 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1b5e h ASP 179 CO 0.02 0.86 0.08 0.22 -1.72 0.00 0.00 179.24 178.69 1b5e h TYR 180 N 0.33 0.34 -0.93 4.55 3.20 -0.51 -0.37 116.97 123.59 1b5e h TYR 180 Ca 0.02 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1b5e h TYR 180 Cb 0.96 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 1b5e h TYR 180 CO 0.03 0.39 0.58 0.00 -1.64 0.00 0.00 178.16 177.52 1b5e h ALA 181 N 0.91 1.33 0.05 1.82 0.00 -1.18 0.16 119.26 122.35 1b5e h ALA 181 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1b5e h ALA 181 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b5e h ALA 181 CO -0.00 0.26 -0.02 2.35 0.00 0.00 0.00 179.25 181.83 1b5e h TRP 182 N 0.99 -0.06 -0.44 0.00 2.91 -1.19 -1.26 115.95 116.89 1b5e h TRP 182 Ca 0.43 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.39 1b5e h TRP 182 Cb 0.31 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 1b5e h TRP 182 CO -0.02 0.17 0.04 1.96 -1.03 0.00 0.00 178.44 179.56 1b5e h GLN 183 N -0.29 0.69 -0.54 2.65 1.08 -0.32 -1.33 115.11 117.06 1b5e h GLN 183 Ca -0.01 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 1b5e h GLN 183 Cb 0.26 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1b5e h GLN 183 CO 0.01 0.69 0.14 -0.22 -0.95 0.00 0.00 178.83 178.50 1b5e h LYS 184 N 0.66 0.85 -0.16 1.46 1.63 -0.65 -1.24 116.57 119.12 1b5e h LYS 184 Ca 0.14 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1b5e h LYS 184 Cb 0.36 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1b5e h LYS 184 CO 0.01 0.79 0.00 -0.92 -3.45 0.00 0.00 179.45 175.89 1b5e h TYR 185 N 0.75 0.00 -0.67 1.91 5.03 -0.84 -0.84 116.97 122.31 1b5e h TYR 185 Ca 0.17 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1b5e h TYR 185 Cb 0.32 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 1b5e h TYR 185 CO 0.02 -0.02 0.12 0.28 -1.32 0.00 0.00 178.16 177.24 1b5e h VAL 186 N 0.06 1.26 -0.24 1.81 2.07 -1.08 -0.70 116.25 119.43 1b5e h VAL 186 Ca 0.08 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1b5e h VAL 186 Cb 0.09 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1b5e h VAL 186 CO -0.12 0.39 0.13 0.25 0.02 0.00 0.00 177.57 178.23 1b5e h LEU 187 N 1.03 0.31 -0.89 2.57 5.85 -0.92 0.56 115.31 123.82 1b5e h LEU 187 Ca 0.20 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1b5e h LEU 187 Cb 0.43 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1b5e h LEU 187 CO 0.01 0.31 0.49 0.44 -0.34 0.00 0.00 178.44 179.35 1b5e h ASP 188 N 0.28 1.11 -0.23 1.25 3.32 -0.99 -0.64 116.42 120.52 1b5e h ASP 188 Ca 0.09 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1b5e h ASP 188 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1b5e h ASP 188 CO -0.01 0.89 0.12 0.50 -1.72 0.00 0.00 179.24 179.02 1b5e h LYS 189 N 1.24 0.24 -0.64 3.56 3.11 -0.82 -1.25 116.57 122.01 1b5e h LYS 189 Ca 0.31 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 58.09 1b5e h LYS 189 Cb 0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 1b5e h LYS 189 CO -0.05 0.16 0.22 1.25 -2.81 0.00 0.00 179.45 178.22 1b5e h LEU 190 N 0.25 0.92 -0.49 5.20 5.85 -0.37 -0.17 115.31 126.50 1b5e h LEU 190 Ca 0.09 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1b5e h LEU 190 Cb 0.02 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1b5e h LEU 190 CO -0.06 0.87 0.29 0.58 -0.34 0.00 0.00 178.44 179.78 1b5e h VAL 191 N 0.92 1.04 -0.21 1.05 2.07 -0.98 -1.14 116.25 119.01 1b5e h VAL 191 Ca 0.21 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1b5e h VAL 191 Cb 0.26 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1b5e h VAL 191 CO -0.01 0.10 0.14 0.28 0.02 0.00 0.00 177.57 178.10 1b5e h SER 192 N 0.57 0.24 -0.38 0.57 0.02 -0.80 -0.67 113.55 113.12 1b5e h SER 192 Ca 0.20 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1b5e h SER 192 Cb 0.03 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1b5e h SER 192 CO -0.09 0.19 -0.10 0.44 -1.14 0.00 0.00 176.83 176.12 1b5e h ASP 193 N 0.28 0.81 -0.36 3.07 3.32 -0.81 0.88 116.42 123.60 1b5e h ASP 193 Ca 0.08 -0.24 -0.17 0.00 0.02 0.00 0.00 57.03 56.72 1b5e h ASP 193 Cb -0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1b5e h ASP 193 CO -0.02 0.93 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.94 1b5e h LEU 194 N 0.74 1.00 -0.87 1.55 3.38 -1.03 -2.76 115.31 117.33 1b5e h LEU 194 Ca 0.13 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 1b5e h LEU 194 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1b5e h LEU 194 CO 0.04 1.28 -0.14 0.78 0.09 0.00 0.00 178.44 180.49 1b5e h ASN 195 N 0.74 0.68 0.51 -0.43 2.35 -0.83 -1.82 115.58 116.78 1b5e h ASN 195 Ca 0.05 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1b5e h ASN 195 Cb 1.02 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1b5e h ASN 195 CO 0.10 0.84 -0.14 0.00 -1.65 0.00 0.00 177.43 176.58 1b5e h ALA 196 N 1.22 1.20 0.00 -0.83 0.00 -0.79 -2.67 119.26 117.38 1b5e h ALA 196 Ca 0.10 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1b5e h ALA 196 Cb 0.59 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1b5e h ALA 196 CO 0.04 0.17 -0.72 0.78 0.00 0.00 0.00 179.25 179.52 1b5e h GLY 197 N 1.17 0.00 -5.60 0.00 0.00 -1.03 -3.44 103.07 94.18 1b5e h GLY 197 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1b5e h GLY 197 CO 0.02 0.00 -0.25 -0.35 0.00 0.00 0.00 176.54 175.96 1b5e s ASP 198 N -6.65 -0.89 0.47 0.19 -1.08 -1.01 -5.04 116.67 102.66 1b5e s ASP 198 Ca 0.01 1.13 0.32 0.00 -0.52 0.00 0.00 52.55 53.49 1b5e s ASP 198 Cb 0.10 1.96 1.38 0.00 -1.46 0.00 0.00 42.92 44.90 1b5e s ASP 198 CO 0.77 -0.24 1.94 0.77 0.52 0.00 0.00 175.17 178.93 1b5e h SER 199 N 8.05 0.00 0.46 -0.34 4.64 -1.85 -2.07 113.55 122.44 1b5e h SER 199 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1b5e h SER 199 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1b5e h SER 199 CO 0.17 0.00 -0.14 0.35 -0.87 0.00 0.00 176.83 176.33 1b5e n THR 200 N -2.81 0.00 -0.03 2.95 -2.24 -1.26 -4.09 114.28 106.80 1b5e n THR 200 Ca 0.00 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1b5e n THR 200 Cb 0.24 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1b5e n THR 200 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1b5e h ARG 201 N 0.44 0.14 -6.32 -0.78 3.08 -1.70 -3.47 114.38 105.77 1b5e h ARG 201 Ca 0.00 -0.07 -0.48 0.00 0.07 0.00 0.00 59.98 59.50 1b5e h ARG 201 Cb 0.40 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1b5e h ARG 201 CO 0.00 0.56 -0.77 1.04 -1.07 0.00 0.00 179.97 179.73 1b5e n GLN 202 N -4.75 -5.36 -1.63 0.04 1.13 -1.26 -4.94 117.38 100.61 1b5e n GLN 202 Ca -0.07 0.58 -0.32 0.00 -1.94 0.00 0.00 57.00 55.25 1b5e n GLN 202 Cb 0.28 -5.45 0.05 0.00 0.11 0.00 0.00 30.24 25.23 1b5e n GLN 202 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1b5e s TYR 203 N -3.32 2.78 0.06 1.08 2.02 -1.26 -4.95 117.35 113.76 1b5e s TYR 203 Ca 0.63 1.52 0.02 0.00 -0.37 0.00 0.00 57.07 58.88 1b5e s TYR 203 Cb -0.32 -3.04 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1b5e s TYR 203 CO 0.84 -1.52 -0.08 0.21 -1.57 0.00 0.00 175.55 173.43 1b5e s LYS 204 N -4.52 0.63 0.19 -0.62 2.20 -0.34 -4.97 119.74 112.30 1b5e s LYS 204 Ca 0.63 -0.91 -0.31 0.00 -0.36 0.00 0.00 55.97 55.01 1b5e s LYS 204 Cb -0.17 -0.33 -0.11 0.00 -1.51 0.00 0.00 37.83 35.71 1b5e s LYS 204 CO 0.48 0.05 1.60 0.00 -0.36 0.00 0.00 175.35 177.11 1b5e s ALA 205 N -1.88 3.81 0.00 3.13 0.00 -1.26 -0.97 121.76 124.59 1b5e s ALA 205 Ca -0.04 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1b5e s ALA 205 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1b5e s ALA 205 CO -0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1b5e n GLY 206 N 3.62 1.54 3.87 0.00 0.00 0.11 -4.70 105.19 109.64 1b5e n GLY 206 Ca 0.14 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 1b5e n GLY 206 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b5e s SER 207 N -1.00 6.62 -0.37 1.61 0.01 -1.26 -4.88 113.70 114.43 1b5e s SER 207 Ca 0.00 0.78 -0.11 0.00 1.31 0.00 0.00 55.95 57.94 1b5e s SER 207 Cb 0.00 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 64.08 1b5e s SER 207 CO 0.00 0.10 0.20 -0.63 0.41 0.00 0.00 173.24 173.32 1b5e s ILE 208 N -1.53 4.57 -0.19 1.44 1.01 -1.26 -1.14 121.20 124.10 1b5e s ILE 208 Ca 0.37 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1b5e s ILE 208 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1b5e s ILE 208 CO 0.20 -0.20 0.34 -0.63 0.00 0.00 0.00 174.94 174.65 1b5e s ILE 209 N 1.56 5.25 -0.28 2.92 1.01 0.66 -0.58 121.20 131.73 1b5e s ILE 209 Ca 0.02 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 1b5e s ILE 209 Cb -0.19 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1b5e s ILE 209 CO 0.07 0.30 0.09 0.86 0.00 0.00 0.00 174.94 176.26 1b5e s TRP 210 N 1.04 3.13 -0.20 3.97 -0.11 0.11 -0.29 118.94 126.59 1b5e s TRP 210 Ca 0.17 -0.73 -0.01 0.00 1.22 0.00 0.00 56.10 56.74 1b5e s TRP 210 Cb -0.14 -2.27 0.01 0.00 -1.50 0.00 0.00 33.47 29.56 1b5e s TRP 210 CO 0.06 -0.49 -0.12 -0.80 -4.62 0.00 0.00 176.95 170.99 1b5e s ASN 211 N 1.56 3.77 -0.06 5.86 0.01 0.10 -1.51 114.94 124.66 1b5e s ASN 211 Ca 0.04 -0.54 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1b5e s ASN 211 Cb -0.16 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 39.89 1b5e s ASN 211 CO 0.03 -0.02 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.80 1b5e s VAL 212 N 1.38 1.08 0.05 1.60 1.01 -0.01 -0.12 120.40 125.39 1b5e s VAL 212 Ca 0.05 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1b5e s VAL 212 Cb -0.14 -0.99 -0.17 0.00 0.00 0.00 0.00 36.38 35.07 1b5e s VAL 212 CO -0.08 0.34 1.47 1.23 0.00 0.00 0.00 175.10 178.07 1b5e h GLY 213 N 6.93 -0.71 -7.47 4.51 0.00 -0.99 -0.97 103.07 104.36 1b5e h GLY 213 Ca -0.32 0.26 -0.60 0.00 0.00 0.00 0.00 47.33 46.68 1b5e h GLY 213 CO 0.48 -0.26 -0.79 -0.45 0.00 0.00 0.00 176.54 175.52 1b5e s SER 214 N -4.68 3.60 -0.33 0.19 0.15 -0.70 -1.09 113.70 110.84 1b5e s SER 214 Ca -0.16 -1.05 -0.10 0.00 0.70 0.00 0.00 55.95 55.34 1b5e s SER 214 Cb 0.03 -1.10 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 1b5e s SER 214 CO 0.58 -0.23 0.16 -0.22 1.20 0.00 0.00 173.24 174.74 1b5e s LEU 215 N 1.47 4.26 0.07 3.45 2.96 -0.44 -1.74 118.68 128.72 1b5e s LEU 215 Ca -0.04 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1b5e s LEU 215 Cb -0.18 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1b5e s LEU 215 CO -0.07 -0.25 -0.08 -1.38 -1.32 0.00 0.00 176.35 173.25 1b5e s HIS 216 N 1.58 0.86 -0.13 5.38 -3.43 -0.79 -0.60 115.29 118.15 1b5e s HIS 216 Ca 0.04 -0.66 -0.01 0.00 -0.80 0.00 0.00 55.06 53.63 1b5e s HIS 216 Cb -0.18 -0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 30.46 1b5e s HIS 216 CO 0.06 -0.08 -0.11 0.08 -2.00 0.00 0.00 174.74 172.69 1b5e s VAL 217 N -2.32 3.19 0.54 -5.38 1.01 -0.36 -0.65 120.40 116.43 1b5e s VAL 217 Ca 0.01 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1b5e s VAL 217 Cb -0.04 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1b5e s VAL 217 CO -0.01 0.52 1.02 -0.31 0.00 0.00 0.00 175.10 176.32 1b5e s TYR 218 N 0.35 3.18 0.53 5.22 2.02 -1.26 -1.77 117.35 125.62 1b5e s TYR 218 Ca -0.10 1.51 0.21 0.00 -0.37 0.00 0.00 57.07 58.32 1b5e s TYR 218 Cb -0.16 -2.92 1.36 0.00 -0.40 0.00 0.00 41.96 39.84 1b5e s TYR 218 CO 0.05 -0.74 2.09 0.66 -1.57 0.00 0.00 175.55 176.05 1b5e h SER 219 N 0.85 0.00 0.44 2.29 4.64 -1.38 0.50 113.55 120.88 1b5e h SER 219 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1b5e h SER 219 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1b5e h SER 219 CO 0.59 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.44 1b5e n ARG 220 N -4.40 0.08 -0.10 4.77 1.85 -1.26 -1.84 116.66 115.75 1b5e n ARG 220 Ca 0.02 0.40 0.04 0.00 -1.00 0.00 0.00 57.85 57.31 1b5e n ARG 220 Cb 0.30 -1.68 0.10 0.00 -1.05 0.00 0.00 32.46 30.13 1b5e n ARG 220 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1b5e n HIS 221 N -1.84 0.27 0.22 2.89 8.25 0.16 -4.64 115.22 120.53 1b5e n HIS 221 Ca 0.02 -0.39 0.09 0.00 -0.26 0.00 0.00 57.72 57.18 1b5e n HIS 221 Cb 0.15 -0.03 0.64 0.00 1.12 0.00 0.00 29.99 31.87 1b5e n HIS 221 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1b5e h PHE 222 N 1.56 0.02 -0.02 4.41 0.04 -1.34 -1.68 116.94 119.92 1b5e h PHE 222 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1b5e h PHE 222 Cb 0.60 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 1b5e h PHE 222 CO 0.14 0.01 -0.14 0.10 -0.60 0.00 0.00 178.31 177.82 1b5e h TYR 223 N 0.02 0.02 -0.28 -0.55 -0.00 -1.82 -0.09 116.97 114.27 1b5e h TYR 223 Ca 0.04 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.71 1b5e h TYR 223 Cb 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 36.84 1b5e h TYR 223 CO -0.00 0.16 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.20 1b5e h LEU 224 N 0.02 0.53 -0.34 0.10 3.38 -1.66 -0.90 115.31 116.45 1b5e h LEU 224 Ca 0.00 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1b5e h LEU 224 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1b5e h LEU 224 CO 0.02 0.76 0.05 0.58 0.09 0.00 0.00 178.44 179.93 1b5e h VAL 225 N 0.30 1.24 -0.68 1.22 2.07 -1.36 -1.96 116.25 117.08 1b5e h VAL 225 Ca 0.08 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1b5e h VAL 225 Cb 0.51 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1b5e h VAL 225 CO 0.02 0.28 0.33 -0.78 0.02 0.00 0.00 177.57 177.45 1b5e h ASP 226 N 0.40 0.88 -0.30 0.57 3.58 -1.04 0.40 116.42 120.92 1b5e h ASP 226 Ca 0.10 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 1b5e h ASP 226 Cb 0.37 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1b5e h ASP 226 CO 0.01 0.76 -0.03 -0.74 -2.88 0.00 0.00 179.24 176.36 1b5e h HIS 227 N 0.94 0.60 -0.91 0.28 2.76 -1.10 -2.09 115.15 115.64 1b5e h HIS 227 Ca 0.23 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1b5e h HIS 227 Cb 0.10 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 1b5e h HIS 227 CO 0.00 0.70 0.51 2.35 -1.30 0.00 0.00 177.93 180.20 1b5e h TRP 228 N 0.32 1.23 -0.95 5.26 7.01 -1.08 -0.21 115.95 127.54 1b5e h TRP 228 Ca 0.08 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.12 1b5e h TRP 228 Cb 0.49 -0.40 -0.07 0.00 -2.10 0.00 0.00 29.16 27.08 1b5e h TRP 228 CO 0.04 0.84 0.60 2.35 -2.79 0.00 0.00 178.44 179.49 1b5e h TRP 229 N 1.27 1.11 0.07 2.65 2.91 -0.64 0.51 115.95 123.83 1b5e h TRP 229 Ca 0.32 0.03 -0.25 0.00 1.13 0.00 0.00 58.89 60.12 1b5e h TRP 229 Cb 0.00 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.28 1b5e h TRP 229 CO 0.01 0.57 -1.17 0.87 -1.03 0.00 0.00 178.44 177.69 1b5e h LYS 230 N 1.09 0.15 0.00 2.65 1.57 -0.74 -3.41 116.57 117.87 1b5e h LYS 230 Ca 0.41 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1b5e h LYS 230 Cb 0.18 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1b5e h LYS 230 CO -0.18 1.10 -0.69 0.25 -0.57 0.00 0.00 179.45 179.36 1b5e n THR 231 N -3.44 0.00 -0.61 -0.16 -2.24 -0.15 -5.02 114.28 102.66 1b5e n THR 231 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1b5e n THR 231 Cb 0.99 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1b5e n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b5e n GLY 232 N 1.97 0.90 3.72 3.38 0.00 0.18 -5.01 105.19 110.32 1b5e n GLY 232 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1b5e n GLY 232 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b5e s GLU 233 N -0.35 4.54 0.00 1.61 2.02 -1.26 -4.96 118.70 120.30 1b5e s GLU 233 Ca 0.00 1.25 0.30 0.00 0.02 0.00 0.00 54.97 56.54 1b5e s GLU 233 Cb 0.00 -3.44 1.40 0.00 0.10 0.00 0.00 34.13 32.19 1b5e s GLU 233 CO 0.00 0.05 1.94 0.25 0.02 0.00 0.00 175.26 177.52 1b5e n THR 234 N 3.60 0.00 -3.71 3.63 -2.24 -1.26 -3.47 114.28 110.84 1b5e n THR 234 Ca 0.03 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1b5e n THR 234 Cb 0.51 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 1b5e n THR 234 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1b5e s HIS 235 N -2.01 -0.56 0.17 4.78 5.65 -1.26 -0.57 115.29 121.48 1b5e s HIS 235 Ca 0.42 1.28 0.05 0.00 0.25 0.00 0.00 55.06 57.06 1b5e s HIS 235 Cb 0.21 0.23 -0.05 0.00 -1.18 0.00 0.00 32.58 31.80 1b5e s HIS 235 CO 0.35 -0.29 -0.11 0.42 -0.65 0.00 0.00 174.74 174.46 1b5e s ILE 236 N 0.77 1.35 0.34 0.89 1.09 -1.26 -5.04 121.20 119.34 1b5e s ILE 236 Ca -0.04 -2.11 -0.28 0.00 -1.10 0.00 0.00 60.65 57.12 1b5e s ILE 236 Cb -0.05 -1.93 -0.10 0.00 -1.06 0.00 0.00 42.46 39.33 1b5e s ILE 236 CO -0.06 -0.69 1.22 -0.55 -0.10 0.00 0.00 174.94 174.76 1b5e s SER 237 N -3.22 6.82 0.46 3.58 0.15 -1.26 -4.93 113.70 115.30 1b5e s SER 237 Ca 0.19 2.49 0.14 0.00 0.70 0.00 0.00 55.95 59.47 1b5e s SER 237 Cb 0.02 -2.63 1.10 0.00 -1.71 0.00 0.00 66.02 62.79 1b5e s SER 237 CO 0.03 -0.48 2.04 0.11 1.20 0.00 0.00 173.24 176.14 1b5e h LYS 238 N 3.27 0.28 -0.07 5.44 1.57 -2.01 -1.06 116.57 124.00 1b5e h LYS 238 Ca -0.48 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.08 1b5e h LYS 238 Cb 1.23 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1b5e h LYS 238 CO 0.65 0.19 -0.79 0.87 -0.57 0.00 0.00 179.45 179.79 1b5e h LYS 239 N 0.29 0.47 0.00 3.15 1.57 -2.07 -3.20 116.57 116.79 1b5e h LYS 239 Ca 0.18 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1b5e h LYS 239 Cb 0.34 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1b5e h LYS 239 CO -0.04 1.05 -0.45 -0.44 -0.57 0.00 0.00 179.45 179.01 1b5e h ASP 240 N 0.31 0.00 0.00 0.86 5.19 -1.72 -3.55 116.42 117.51 1b5e h ASP 240 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1b5e h ASP 240 Cb 1.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1b5e h ASP 240 CO 0.14 0.45 0.00 0.00 -3.12 0.00 0.00 179.24 176.71