#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 3.47 0.47 3.17 1.09 -1.26 -5.01 121.20 123.14 1b5e s ILE 2 Ca 0.00 1.41 -0.23 0.00 -1.10 0.00 0.00 60.65 60.73 1b5e s ILE 2 Cb 0.00 -3.87 -0.07 0.00 -1.06 0.00 0.00 42.46 37.46 1b5e s ILE 2 CO 0.00 0.28 1.26 -0.55 -0.10 0.00 0.00 174.94 175.83 1b5e s SER 3 N -0.99 5.95 -0.73 3.58 0.15 -1.26 -4.94 113.70 115.46 1b5e s SER 3 Ca 0.47 2.53 -0.26 0.00 0.70 0.00 0.00 55.95 59.39 1b5e s SER 3 Cb -0.31 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.39 1b5e s SER 3 CO 0.39 -1.09 1.57 -1.81 1.20 0.00 0.00 173.24 173.51 1b5e s ASP 4 N -1.08 5.77 0.32 5.45 1.11 -1.26 -4.98 116.67 121.99 1b5e s ASP 4 Ca 0.64 -0.27 0.07 0.00 0.18 0.00 0.00 52.55 53.17 1b5e s ASP 4 Cb -0.34 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.07 1b5e s ASP 4 CO 0.42 -2.09 0.36 -0.44 1.18 0.00 0.00 175.17 174.60 1b5e s SER 5 N 5.89 5.66 0.93 0.27 0.01 -1.26 -5.10 113.70 120.10 1b5e s SER 5 Ca 0.51 -0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.36 1b5e s SER 5 Cb -0.09 -1.18 0.15 0.00 0.21 0.00 0.00 66.02 65.11 1b5e s SER 5 CO 0.13 -0.33 1.14 -0.04 0.41 0.00 0.00 173.24 174.55 1b5e s MET 6 N -4.05 0.90 0.48 12.44 -1.94 -1.26 -4.74 119.30 121.14 1b5e s MET 6 Ca 0.41 1.49 0.07 0.00 -1.71 0.00 0.00 55.69 55.94 1b5e s MET 6 Cb -0.08 -1.72 0.01 0.00 2.01 0.00 0.00 34.83 35.05 1b5e s MET 6 CO 0.28 -2.69 0.38 0.95 -0.01 0.00 0.00 175.02 173.93 1b5e s THR 7 N -2.64 2.11 0.38 2.05 -4.23 -1.26 -0.79 115.64 111.25 1b5e s THR 7 Ca 0.67 -1.45 0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1b5e s THR 7 Cb -0.23 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.30 1b5e s THR 7 CO 0.58 0.00 2.02 0.58 -0.54 0.00 0.00 174.62 177.26 1b5e h VAL 8 N 0.92 1.14 -0.75 2.29 2.07 -1.95 -2.18 116.25 117.79 1b5e h VAL 8 Ca -0.39 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1b5e h VAL 8 Cb 1.28 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1b5e h VAL 8 CO 0.58 0.14 0.50 -0.33 0.02 0.00 0.00 177.57 178.48 1b5e h GLU 9 N 0.67 0.98 -0.23 1.57 4.39 -1.95 -1.01 114.58 119.00 1b5e h GLU 9 Ca 0.18 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 1b5e h GLU 9 Cb -0.04 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1b5e h GLU 9 CO -0.03 0.65 -0.38 0.93 -1.16 0.00 0.00 179.01 179.01 1b5e h GLU 10 N 1.01 0.53 -0.69 2.33 5.08 -1.83 -2.35 114.58 118.65 1b5e h GLU 10 Ca 0.27 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1b5e h GLU 10 Cb -0.12 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1b5e h GLU 10 CO -0.06 0.83 0.43 0.82 -1.00 0.00 0.00 179.01 180.03 1b5e h ILE 11 N 0.44 1.09 -0.40 3.13 1.08 -0.81 -1.34 117.51 120.70 1b5e h ILE 11 Ca 0.04 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.26 1b5e h ILE 11 Cb 0.87 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1b5e h ILE 11 CO 0.07 0.15 0.17 0.03 -0.69 0.00 0.00 178.15 177.89 1b5e h ARG 12 N 0.85 0.35 -0.21 2.37 3.08 -0.87 -1.09 114.38 118.84 1b5e h ARG 12 Ca 0.28 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.33 1b5e h ARG 12 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1b5e h ARG 12 CO -0.11 0.23 0.06 1.25 -1.07 0.00 0.00 179.97 180.33 1b5e h LEU 13 N 0.36 0.05 -1.20 3.04 5.85 -0.96 -0.38 115.31 122.06 1b5e h LEU 13 Ca 0.18 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1b5e h LEU 13 Cb 0.12 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1b5e h LEU 13 CO -0.15 0.06 -0.09 0.45 -0.34 0.00 0.00 178.44 178.37 1b5e h HIS 14 N 0.15 0.47 -0.34 1.25 3.86 -0.96 0.24 115.15 119.83 1b5e h HIS 14 Ca 0.09 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1b5e h HIS 14 Cb 0.08 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1b5e h HIS 14 CO -0.13 0.53 -0.37 -0.07 0.86 0.00 0.00 177.93 178.75 1b5e h LEU 15 N 0.42 0.83 -0.78 2.43 3.38 -0.87 -1.22 115.31 119.51 1b5e h LEU 15 Ca 0.08 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1b5e h LEU 15 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1b5e h LEU 15 CO 0.02 1.11 -0.03 1.23 0.09 0.00 0.00 178.44 180.86 1b5e h GLY 16 N 0.91 0.97 0.97 0.83 0.00 -0.35 -1.95 103.07 104.46 1b5e h GLY 16 Ca 0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1b5e h GLY 16 CO 0.08 0.64 0.24 1.41 0.00 0.00 0.00 176.54 178.91 1b5e h LEU 17 N 0.83 0.64 -1.05 3.11 4.07 -0.83 -0.92 115.31 121.16 1b5e h LEU 17 Ca 0.15 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1b5e h LEU 17 Cb 0.53 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1b5e h LEU 17 CO 0.03 0.58 0.49 0.00 -1.08 0.00 0.00 178.44 178.46 1b5e h ALA 18 N 1.08 1.28 -0.19 1.53 0.00 -0.87 -1.14 119.26 120.95 1b5e h ALA 18 Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1b5e h ALA 18 Cb 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1b5e h ALA 18 CO -0.02 0.60 -0.31 1.25 0.00 0.00 0.00 179.25 180.77 1b5e h LEU 19 N 1.16 0.61 -1.51 0.00 5.85 -1.12 -1.68 115.31 118.62 1b5e h LEU 19 Ca 0.30 -0.53 0.11 0.00 0.84 0.00 0.00 57.88 58.59 1b5e h LEU 19 Cb -0.02 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1b5e h LEU 19 CO -0.05 1.02 0.47 0.50 -0.34 0.00 0.00 178.44 180.03 1b5e h LYS 20 N 0.21 0.53 -0.33 1.25 3.64 -0.70 -1.57 116.57 119.60 1b5e h LYS 20 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1b5e h LYS 20 Cb 0.90 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1b5e h LYS 20 CO 0.07 0.35 0.00 0.39 -2.27 0.00 0.00 179.45 177.99 1b5e n GLU 21 N -4.49 2.31 -3.73 1.90 1.02 -0.47 -4.95 120.64 112.23 1b5e n GLU 21 Ca 0.12 -1.97 -0.27 0.00 -0.02 0.00 0.00 57.16 55.02 1b5e n GLU 21 Cb 0.38 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.19 -6.69 -2.24 3.49 4.01 -0.59 -4.88 118.16 112.46 1b5e n LYS 22 Ca 0.18 0.72 -0.43 0.00 -0.51 0.00 0.00 58.31 58.28 1b5e n LYS 22 Cb 0.53 -5.69 0.00 0.00 -0.51 0.00 0.00 35.03 29.36 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 -2.90 4.54 -4.87 4.39 -0.08 -0.69 -4.97 116.55 111.97 1b5e n ASP 23 Ca 0.02 -2.92 -0.34 0.00 -1.51 0.00 0.00 54.79 50.05 1b5e n ASP 23 Cb 0.54 -1.66 -0.05 0.00 2.34 0.00 0.00 41.12 42.29 1b5e n ASP 23 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1b5e s PHE 24 N 3.06 3.54 -0.04 -0.67 0.08 -1.26 -4.44 117.98 118.25 1b5e s PHE 24 Ca 0.48 0.75 0.03 0.00 0.12 0.00 0.00 56.93 58.31 1b5e s PHE 24 Cb 0.08 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1b5e s PHE 24 CO -0.01 0.47 -0.12 0.08 -0.10 0.00 0.00 175.22 175.54 1b5e s VAL 25 N -1.50 1.07 -0.11 -0.44 1.01 0.38 -4.94 120.40 115.87 1b5e s VAL 25 Ca 0.36 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1b5e s VAL 25 Cb -0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1b5e s VAL 25 CO 0.20 0.33 1.11 -0.69 0.00 0.00 0.00 175.10 176.05 1b5e s VAL 26 N 0.33 4.52 0.76 2.92 1.01 -1.26 -0.52 120.40 128.15 1b5e s VAL 26 Ca -0.07 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 1b5e s VAL 26 Cb -0.12 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1b5e s VAL 26 CO 0.02 -0.04 1.08 -0.62 0.00 0.00 0.00 175.10 175.54 1b5e s ASP 27 N 1.34 4.77 0.57 3.32 2.15 0.18 -4.93 116.67 124.08 1b5e s ASP 27 Ca 0.51 1.54 0.38 0.00 0.43 0.00 0.00 52.55 55.41 1b5e s ASP 27 Cb -0.21 -2.32 1.95 0.00 -0.30 0.00 0.00 42.92 42.04 1b5e s ASP 27 CO 0.18 -1.82 2.15 0.07 -0.17 0.00 0.00 175.17 175.57 1b5e h LYS 28 N -0.98 0.00 -0.12 4.34 2.10 -1.96 -0.02 116.57 119.93 1b5e h LYS 28 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1b5e h LYS 28 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1b5e h LYS 28 CO 0.56 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.26 1b5e n THR 29 N -2.90 0.15 -0.21 0.07 -2.24 -1.26 -4.93 114.28 102.96 1b5e n THR 29 Ca -0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1b5e n THR 29 Cb 0.12 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.16 0.96 3.91 3.38 0.00 -0.02 -5.06 105.19 109.51 1b5e n GLY 30 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.62 5.00 0.43 1.61 0.11 -1.26 -4.73 120.40 118.93 1b5e s VAL 31 Ca 0.00 0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 58.89 1b5e s VAL 31 Cb 0.00 -3.76 -0.09 0.00 -1.53 0.00 0.00 36.38 31.00 1b5e s VAL 31 CO 0.00 -0.43 1.02 -0.54 -3.33 0.00 0.00 175.10 171.82 1b5e s LYS 32 N -3.81 4.08 0.08 1.54 1.02 -1.26 0.50 119.74 121.90 1b5e s LYS 32 Ca 0.45 1.39 0.03 0.00 0.02 0.00 0.00 55.97 57.86 1b5e s LYS 32 Cb -0.10 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1b5e s LYS 32 CO 0.32 -0.20 -0.09 0.95 -0.92 0.00 0.00 175.35 175.42 1b5e s THR 33 N -1.84 0.81 0.20 2.17 -4.23 0.32 -1.33 115.64 111.75 1b5e s THR 33 Ca 0.61 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1b5e s THR 33 Cb -0.18 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 1b5e s THR 33 CO 0.23 -0.58 0.18 0.27 -0.54 0.00 0.00 174.62 174.18 1b5e s ILE 34 N -2.43 4.54 -0.24 2.99 -4.36 -0.82 -0.47 121.20 120.41 1b5e s ILE 34 Ca 0.03 -1.20 -0.20 0.00 -0.26 0.00 0.00 60.65 59.02 1b5e s ILE 34 Cb -0.03 -3.38 0.06 0.00 1.25 0.00 0.00 42.46 40.36 1b5e s ILE 34 CO -0.01 -0.22 0.62 -0.70 0.24 0.00 0.00 174.94 174.87 1b5e s GLU 35 N -3.47 0.71 -0.16 0.37 2.12 -1.26 -1.24 118.70 115.78 1b5e s GLU 35 Ca 0.32 0.91 -0.03 0.00 0.36 0.00 0.00 54.97 56.54 1b5e s GLU 35 Cb -0.09 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1b5e s GLU 35 CO 0.24 -0.10 -0.06 0.42 -0.54 0.00 0.00 175.26 175.22 1b5e s ILE 36 N 0.56 3.53 -0.11 -3.70 1.01 0.51 -4.98 121.20 118.03 1b5e s ILE 36 Ca -0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 1b5e s ILE 36 Cb -0.05 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1b5e s ILE 36 CO -0.03 0.48 0.28 -0.63 0.00 0.00 0.00 174.94 175.05 1b5e s ILE 37 N 0.63 5.28 -1.18 2.92 -1.09 -1.26 -1.04 121.20 125.46 1b5e s ILE 37 Ca -0.04 0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 58.87 1b5e s ILE 37 Cb -0.15 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1b5e s ILE 37 CO 0.03 0.49 0.66 0.61 -1.23 0.00 0.00 174.94 175.50 1b5e n GLY 38 N 2.66 -0.26 3.74 6.18 0.00 -0.04 -4.95 105.19 112.52 1b5e n GLY 38 Ca -0.14 -0.01 -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 -3.13 3.61 -0.06 4.61 0.00 -0.40 -4.84 121.76 121.55 1b5e s ALA 39 Ca 0.33 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.56 1b5e s ALA 39 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1b5e s ALA 39 CO 0.41 -0.70 0.03 0.45 0.00 0.00 0.00 175.76 175.94 1b5e s SER 40 N 0.37 1.34 0.03 0.00 0.15 -1.26 -0.53 113.70 113.80 1b5e s SER 40 Ca 0.59 -0.01 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 1b5e s SER 40 Cb -0.41 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1b5e s SER 40 CO 0.42 -0.21 0.31 0.72 1.20 0.00 0.00 173.24 175.68 1b5e s PHE 41 N 2.01 -0.13 -0.06 3.44 -0.71 -0.37 -4.03 117.98 118.13 1b5e s PHE 41 Ca 0.04 0.05 -0.30 0.00 -1.04 0.00 0.00 56.93 55.68 1b5e s PHE 41 Cb -0.12 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1b5e s PHE 41 CO -0.04 -0.48 1.13 0.08 -1.34 0.00 0.00 175.22 174.57 1b5e s VAL 42 N -2.27 4.44 -1.26 -2.49 1.01 0.03 -0.18 120.40 119.68 1b5e s VAL 42 Ca -0.07 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 63.47 1b5e s VAL 42 Cb -0.02 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1b5e s VAL 42 CO -0.02 0.02 1.75 0.00 0.00 0.00 0.00 175.10 176.85 1b5e s ALA 43 N 2.00 3.04 -2.33 5.51 0.00 0.14 -3.68 121.76 126.44 1b5e s ALA 43 Ca 0.53 -2.75 0.21 0.00 0.00 0.00 0.00 51.96 49.96 1b5e s ALA 43 Cb -0.23 -4.64 0.53 0.00 0.00 0.00 0.00 23.12 18.78 1b5e s ALA 43 CO 0.22 -3.62 1.45 -0.40 0.00 0.00 0.00 175.76 173.41 1b5e n ASP 44 N 9.35 2.90 -4.01 0.00 5.75 -1.26 -4.65 116.55 124.64 1b5e n ASP 44 Ca 0.47 -1.92 -0.09 0.00 -0.01 0.00 0.00 54.79 53.24 1b5e n ASP 44 Cb 0.46 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.52 0.43 0.00 0.11 2.02 -1.26 -5.00 118.70 113.47 1b5e s GLU 45 Ca 0.37 -0.80 0.21 0.00 0.02 0.00 0.00 54.97 54.78 1b5e s GLU 45 Cb 0.21 0.15 0.96 0.00 0.10 0.00 0.00 34.13 35.55 1b5e s GLU 45 CO 0.29 -0.08 1.66 -0.35 0.02 0.00 0.00 175.26 176.80 1b5e n PRO 46 N 1.09 1.44 -3.50 0.39 -0.04 -1.26 -4.84 135.00 128.27 1b5e n PRO 46 Ca -0.21 -0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 62.48 1b5e n PRO 46 Cb 0.57 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.89 -0.44 -0.12 0.54 -0.71 -1.26 -4.47 117.98 109.63 1b5e s PHE 47 Ca 0.32 0.24 -0.14 0.00 -1.04 0.00 0.00 56.93 56.31 1b5e s PHE 47 Cb 0.16 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.38 1b5e s PHE 47 CO 0.26 -0.78 -0.27 -0.89 -1.34 0.00 0.00 175.22 172.20 1b5e n ILE 48 N -0.24 1.36 -4.28 -4.49 5.41 -1.26 -5.04 119.36 110.82 1b5e n ILE 48 Ca -0.17 0.20 -0.17 0.00 1.00 0.00 0.00 62.75 63.61 1b5e n ILE 48 Cb 0.64 -2.16 -0.11 0.00 -0.71 0.00 0.00 39.64 37.31 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 -2.63 1.48 0.00 1.39 0.08 -1.26 -4.94 117.98 112.09 1b5e s PHE 49 Ca -0.22 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.23 1b5e s PHE 49 Cb 0.03 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 1b5e s PHE 49 CO 0.33 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 176.06 1b5e n GLY 50 N 0.11 -4.18 3.91 4.36 0.00 0.27 -4.67 105.19 104.99 1b5e n GLY 50 Ca -0.12 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.07 3.97 -0.45 4.61 0.00 -1.26 -4.67 121.76 122.89 1b5e s ALA 51 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1b5e s ALA 51 Cb 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.27 1b5e s ALA 51 CO 0.00 0.79 1.14 -0.51 0.00 0.00 0.00 175.76 177.18 1b5e s LEU 52 N -2.35 3.68 -0.93 0.00 1.43 -1.26 -4.99 118.68 114.26 1b5e s LEU 52 Ca 0.33 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.88 1b5e s LEU 52 Cb -0.13 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 42.78 1b5e s LEU 52 CO 0.25 -1.20 0.91 0.21 0.23 0.00 0.00 176.35 176.74 1b5e s ASN 53 N 2.39 6.95 0.46 2.29 3.04 -1.26 -4.89 114.94 123.92 1b5e s ASN 53 Ca 0.48 -2.98 0.13 0.00 0.04 0.00 0.00 52.86 50.53 1b5e s ASN 53 Cb -0.08 -2.22 1.04 0.00 -1.54 0.00 0.00 41.25 38.45 1b5e s ASN 53 CO 0.29 -0.50 2.06 0.44 -3.04 0.00 0.00 177.10 176.35 1b5e h ASP 54 N 7.43 0.13 -0.41 -4.21 3.32 -2.00 -2.37 116.42 118.32 1b5e h ASP 54 Ca 0.14 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1b5e h ASP 54 Cb 0.98 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1b5e h ASP 54 CO 0.86 0.18 0.17 -0.08 -1.72 0.00 0.00 179.24 178.65 1b5e h GLU 55 N 0.15 0.61 -0.22 3.56 4.22 -2.00 -2.13 114.58 118.77 1b5e h GLU 55 Ca 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.33 1b5e h GLU 55 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1b5e h GLU 55 CO 0.00 0.56 -0.01 -0.92 -2.18 0.00 0.00 179.01 176.46 1b5e h TYR 56 N 0.52 0.44 -0.90 0.92 3.20 -1.86 -2.93 116.97 116.37 1b5e h TYR 56 Ca 0.14 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 62.01 1b5e h TYR 56 Cb 0.17 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1b5e h TYR 56 CO -0.00 0.59 0.58 0.82 -1.64 0.00 0.00 178.16 178.51 1b5e h ILE 57 N 0.16 1.03 -0.05 1.81 2.04 -1.44 -1.34 117.51 119.73 1b5e h ILE 57 Ca 0.06 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1b5e h ILE 57 Cb 0.42 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1b5e h ILE 57 CO 0.01 0.18 -0.47 -0.61 0.00 0.00 0.00 178.15 177.26 1b5e h GLN 58 N 0.97 0.11 -0.19 2.37 5.75 -1.30 0.81 115.11 123.63 1b5e h GLN 58 Ca 0.40 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.67 1b5e h GLN 58 Cb 0.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1b5e h GLN 58 CO -0.16 0.56 -0.59 0.00 -2.65 0.00 0.00 178.83 175.99 1b5e h ARG 59 N 0.09 0.63 -0.25 1.69 3.08 -1.15 -1.47 114.38 116.99 1b5e h ARG 59 Ca 0.00 -0.42 -0.14 0.00 0.07 0.00 0.00 59.98 59.50 1b5e h ARG 59 Cb 0.86 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1b5e h ARG 59 CO 0.07 1.04 -0.41 1.49 -1.07 0.00 0.00 179.97 181.08 1b5e h GLU 60 N 0.47 0.61 -0.20 0.04 4.81 -0.94 -2.09 114.58 117.28 1b5e h GLU 60 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1b5e h GLU 60 Cb 1.16 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1b5e h GLU 60 CO 0.11 0.91 0.13 1.25 -0.73 0.00 0.00 179.01 180.68 1b5e h LEU 61 N 0.50 0.23 -0.82 1.64 5.85 -0.71 -0.72 115.31 121.29 1b5e h LEU 61 Ca 0.04 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1b5e h LEU 61 Cb 0.93 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1b5e h LEU 61 CO 0.08 0.19 0.49 -0.33 -0.34 0.00 0.00 178.44 178.53 1b5e h GLU 62 N 0.25 0.84 -0.48 1.25 4.39 -1.15 -0.63 114.58 119.04 1b5e h GLU 62 Ca 0.07 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1b5e h GLU 62 Cb -0.00 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1b5e h GLU 62 CO -0.01 0.55 0.25 2.35 -1.16 0.00 0.00 179.01 180.98 1b5e h TRP 63 N 0.86 0.69 -0.82 4.33 7.01 -1.02 -1.95 115.95 125.03 1b5e h TRP 63 Ca 0.37 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.34 1b5e h TRP 63 Cb 0.24 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 1b5e h TRP 63 CO -0.05 0.53 0.49 1.88 -2.79 0.00 0.00 178.44 178.50 1b5e h TYR 64 N 0.64 1.10 0.00 2.65 0.05 -0.72 -2.17 116.97 118.52 1b5e h TYR 64 Ca 0.17 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1b5e h TYR 64 Cb 0.09 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 1b5e h TYR 64 CO -0.01 0.74 -0.12 0.87 -1.05 0.00 0.00 178.16 178.59 1b5e h LYS 65 N 1.13 0.00 0.00 4.88 1.57 -0.70 -1.03 116.57 122.42 1b5e h LYS 65 Ca 0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1b5e h LYS 65 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1b5e h LYS 65 CO -0.05 0.12 -0.16 0.66 -0.57 0.00 0.00 179.45 179.45 1b5e h SER 66 N 0.00 0.00 -0.26 0.86 4.64 -0.73 -3.47 113.55 114.60 1b5e h SER 66 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1b5e h SER 66 Cb 0.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 1b5e h SER 66 CO 0.02 0.16 -0.10 0.29 -0.87 0.00 0.00 176.83 176.32 1b5e n LYS 67 N -3.19 -1.40 -2.37 4.77 5.02 -0.39 -4.96 118.16 115.65 1b5e n LYS 67 Ca 0.02 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 1b5e n LYS 67 Cb 0.51 -4.78 -0.03 0.00 -0.02 0.00 0.00 35.03 30.71 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 -2.28 7.08 -0.07 4.39 0.15 -1.25 -4.48 113.70 117.25 1b5e s SER 68 Ca 0.00 2.25 0.10 0.00 0.70 0.00 0.00 55.95 59.00 1b5e s SER 68 Cb 0.00 -2.61 0.40 0.00 -1.71 0.00 0.00 66.02 62.10 1b5e s SER 68 CO 0.00 -0.37 1.23 0.18 1.20 0.00 0.00 173.24 175.48 1b5e n LEU 69 N 2.42 2.85 -4.35 3.45 4.77 -1.26 -4.79 117.00 120.09 1b5e n LEU 69 Ca 0.04 -1.44 -0.33 0.00 -0.03 0.00 0.00 56.01 54.25 1b5e n LEU 69 Cb 0.45 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1b5e n LEU 69 CO 0.56 0.49 -0.48 -0.36 -1.33 0.00 0.00 177.39 176.27 1b5e s PHE 70 N -1.71 2.73 0.19 -1.77 0.40 -1.26 -0.47 117.98 116.10 1b5e s PHE 70 Ca 0.28 -0.69 0.20 0.00 -0.60 0.00 0.00 56.93 56.13 1b5e s PHE 70 Cb 0.18 -1.79 0.80 0.00 0.51 0.00 0.00 43.02 42.73 1b5e s PHE 70 CO 0.13 -0.22 1.79 -0.39 0.70 0.00 0.00 175.22 177.23 1b5e h VAL 71 N 5.36 0.80 0.00 -0.44 -1.51 -1.54 -2.50 116.25 116.41 1b5e h VAL 71 Ca -0.26 -1.33 -0.01 0.00 -1.23 0.00 0.00 66.70 63.87 1b5e h VAL 71 Cb 1.21 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1b5e h VAL 71 CO 0.53 0.31 -0.04 0.50 -1.23 0.00 0.00 177.57 177.64 1b5e h LYS 72 N 0.00 0.00 0.00 5.19 3.64 -1.95 -1.83 116.57 121.62 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 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1b5e h LYS 72 CO 0.04 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 177.01 1b5e n ASP 73 N -3.58 0.00 -4.71 4.20 8.00 -0.94 -4.72 116.55 114.80 1b5e n ASP 73 Ca -0.02 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 1b5e n ASP 73 Cb 0.14 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.30 2.90 0.23 0.53 1.01 -0.69 -4.73 121.20 118.16 1b5e s ILE 74 Ca 0.31 0.54 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 1b5e s ILE 74 Cb 0.17 -3.35 -0.14 0.00 0.01 0.00 0.00 42.46 39.16 1b5e s ILE 74 CO 0.35 0.02 1.33 -2.65 0.00 0.00 0.00 174.94 173.98 1b5e n PRO 75 N 4.66 1.81 0.00 2.79 -0.02 -1.26 -4.64 135.00 138.34 1b5e n PRO 75 Ca 0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1b5e n PRO 75 Cb 0.40 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.00 -1.05 3.68 -1.23 0.00 -1.26 -4.71 105.19 102.61 1b5e n GLY 76 Ca 0.12 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 4.29 0.07 1.61 2.12 -1.26 -4.97 118.70 120.56 1b5e s GLU 77 Ca 0.00 1.75 -0.31 0.00 0.36 0.00 0.00 54.97 56.77 1b5e s GLU 77 Cb 0.00 -3.64 -0.08 0.00 0.26 0.00 0.00 34.13 30.67 1b5e s GLU 77 CO 0.00 -0.57 1.65 0.99 -0.54 0.00 0.00 175.26 176.79 1b5e s THR 78 N 2.72 3.06 0.43 -1.70 2.01 -1.26 -4.96 115.64 115.94 1b5e s THR 78 Ca 0.58 0.51 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 1b5e s THR 78 Cb -0.25 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1b5e s THR 78 CO 0.21 -0.00 1.24 -2.65 -0.69 0.00 0.00 174.62 172.72 1b5e n PRO 79 N 5.60 1.82 0.26 4.92 -0.02 -1.26 -4.84 135.00 141.48 1b5e n PRO 79 Ca 0.16 0.65 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1b5e n PRO 79 Cb 0.41 -2.35 0.72 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.95 0.00 -0.35 -0.52 2.10 -1.99 -1.67 116.57 116.08 1b5e h LYS 80 Ca -0.48 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 1b5e h LYS 80 Cb 1.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 1b5e h LYS 80 CO 0.59 0.12 0.05 -0.84 -2.00 0.00 0.00 179.45 177.37 1b5e h ILE 81 N 0.00 1.18 0.06 0.07 3.07 -2.00 0.57 117.51 120.46 1b5e h ILE 81 Ca -0.00 -0.67 -0.24 0.00 1.55 0.00 0.00 64.86 65.49 1b5e h ILE 81 Cb 0.38 0.86 -0.02 0.00 -0.27 0.00 0.00 36.82 37.77 1b5e h ILE 81 CO 0.02 0.24 -1.14 -0.50 -1.05 0.00 0.00 178.15 175.71 1b5e h TRP 82 N 0.51 0.22 -0.46 0.16 4.06 -1.69 -3.28 115.95 115.48 1b5e h TRP 82 Ca 0.12 -0.16 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1b5e h TRP 82 Cb 0.25 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1b5e h TRP 82 CO 0.01 1.13 0.14 1.96 -3.56 0.00 0.00 178.44 178.12 1b5e h GLN 83 N 0.03 0.71 0.00 0.49 4.20 -0.69 -2.83 115.11 117.02 1b5e h GLN 83 Ca -0.08 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1b5e h GLN 83 Cb 1.87 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1b5e h GLN 83 CO 0.16 0.68 0.00 0.00 -0.67 0.00 0.00 178.83 179.00 1b5e n GLN 84 N -4.54 0.22 -0.00 1.46 10.64 0.09 -2.48 117.38 122.77 1b5e n GLN 84 Ca 0.01 0.33 0.10 0.00 -1.83 0.00 0.00 57.00 55.61 1b5e n GLN 84 Cb 0.19 -1.84 -0.10 0.00 -0.86 0.00 0.00 30.24 27.63 1b5e n GLN 84 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1b5e n VAL 85 N -2.24 0.01 -1.90 -0.39 0.31 -1.16 -4.80 118.33 108.16 1b5e n VAL 85 Ca 0.04 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 63.99 1b5e n VAL 85 Cb 0.32 0.82 0.01 0.00 -0.91 0.00 0.00 33.84 34.08 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 -3.06 3.07 1.13 3.52 0.00 -1.04 -0.92 121.76 124.46 1b5e s ALA 86 Ca 0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 1b5e s ALA 86 Cb 0.16 -3.09 0.23 0.00 0.00 0.00 0.00 23.12 20.42 1b5e s ALA 86 CO 0.86 -0.68 1.00 -1.13 0.00 0.00 0.00 175.76 175.81 1b5e n SER 87 N -2.65 -1.17 0.30 0.00 3.41 0.49 -4.28 113.62 109.71 1b5e n SER 87 Ca 0.06 -1.19 0.19 0.00 -0.26 0.00 0.00 58.87 57.67 1b5e n SER 87 Cb 0.54 -0.85 0.92 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.09 0.00 -0.36 4.04 4.64 -1.68 -1.35 113.55 116.75 1b5e h SER 88 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1b5e h SER 88 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1b5e h SER 88 CO 0.24 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.50 1b5e n LYS 89 N -3.12 2.33 -0.74 4.77 5.02 -1.26 -4.95 118.16 120.20 1b5e n LYS 89 Ca -0.01 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1b5e n LYS 89 Cb 0.20 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.23 0.57 3.89 0.72 0.00 -0.51 -4.98 105.19 106.11 1b5e n GLY 90 Ca 0.17 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.11 3.65 0.28 1.61 2.12 -1.26 -1.35 118.70 122.64 1b5e s GLU 91 Ca 0.00 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.34 1b5e s GLU 91 Cb 0.00 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 1b5e s GLU 91 CO 0.00 0.51 0.12 0.44 -0.54 0.00 0.00 175.26 175.79 1b5e n ILE 92 N 0.39 0.00 -0.08 -3.70 -6.64 0.39 -0.38 119.36 109.34 1b5e n ILE 92 Ca -0.05 -1.73 -0.10 0.00 -1.77 0.00 0.00 62.75 59.10 1b5e n ILE 92 Cb 0.52 0.67 -0.09 0.00 -1.44 0.00 0.00 39.64 39.30 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 -1.74 2.32 -2.32 7.28 3.02 -1.26 -4.84 115.26 117.71 1b5e n ASN 93 Ca -0.02 -0.06 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 1b5e n ASN 93 Cb 0.44 0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.84 6.31 -4.56 6.41 7.64 -1.26 -4.80 113.62 120.52 1b5e n SER 94 Ca -0.28 -3.09 -0.43 0.00 1.01 0.00 0.00 58.87 56.08 1b5e n SER 94 Cb 0.87 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 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 0.53 6.47 0.46 6.43 3.84 -1.26 -4.91 114.94 126.50 1b5e s ASN 95 Ca 0.54 0.03 0.25 0.00 0.21 0.00 0.00 52.86 53.89 1b5e s ASN 95 Cb 0.35 -2.46 1.02 0.00 -0.55 0.00 0.00 41.25 39.61 1b5e s ASN 95 CO -0.16 -1.13 1.87 1.88 -2.79 0.00 0.00 177.10 176.77 1b5e h TYR 96 N 9.17 0.00 -0.32 0.43 0.05 -1.91 -1.33 116.97 123.06 1b5e h TYR 96 Ca -0.24 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.48 1b5e h TYR 96 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 1b5e h TYR 96 CO 0.89 0.20 -0.01 0.78 -1.05 0.00 0.00 178.16 178.97 1b5e h GLY 97 N 1.92 0.63 0.75 3.88 0.00 -1.91 -2.10 103.07 106.22 1b5e h GLY 97 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.91 1b5e h GLY 97 CO 0.03 0.43 0.44 -0.25 0.00 0.00 0.00 176.54 177.19 1b5e h TRP 98 N 0.38 0.82 -0.95 5.60 7.01 -1.59 0.27 115.95 127.49 1b5e h TRP 98 Ca 0.09 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.13 1b5e h TRP 98 Cb 0.46 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1b5e h TRP 98 CO 0.04 0.42 0.63 0.00 -2.79 0.00 0.00 178.44 176.74 1b5e h ALA 99 N 1.35 1.20 0.00 2.65 0.00 -0.91 -2.16 119.26 121.39 1b5e h ALA 99 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1b5e h ALA 99 Cb 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1b5e h ALA 99 CO -0.16 0.60 -1.48 0.44 0.00 0.00 0.00 179.25 178.64 1b5e n ILE 100 N -4.42 0.00 0.06 0.00 -5.35 -0.82 -4.48 119.36 104.35 1b5e n ILE 100 Ca 0.11 -0.27 0.03 0.00 -0.27 0.00 0.00 62.75 62.34 1b5e n ILE 100 Cb 0.01 0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 38.34 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 -1.88 0.00 -2.57 4.28 8.01 0.07 -0.51 117.44 124.84 1b5e n TRP 101 Ca -0.00 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.80 1b5e n TRP 101 Cb 0.43 -0.09 -0.05 0.00 -2.01 0.00 0.00 31.31 29.59 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 -2.35 7.15 0.49 -0.99 0.15 -0.82 -4.83 113.70 112.50 1b5e s SER 102 Ca -0.01 2.09 0.27 0.00 0.70 0.00 0.00 55.95 59.00 1b5e s SER 102 Cb 0.04 -2.60 1.18 0.00 -1.71 0.00 0.00 66.02 62.92 1b5e s SER 102 CO 0.23 -0.22 1.93 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 -2.44 114.58 118.94 1b5e h GLU 103 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.86 1b5e h GLU 103 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1b5e h GLU 103 CO 0.65 0.16 -0.12 -0.44 -0.00 0.00 0.00 179.01 179.26 1b5e h ASP 104 N 0.00 0.00 -0.51 3.06 3.32 -1.91 -1.00 116.42 119.38 1b5e h ASP 104 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1b5e h ASP 104 Cb 0.58 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.01 1b5e h ASP 104 CO 0.02 0.12 0.13 -3.20 -1.72 0.00 0.00 179.24 174.59 1b5e n ASN 105 N -3.98 3.59 -2.04 6.45 5.15 -1.06 -4.96 115.26 118.41 1b5e n ASN 105 Ca -0.02 -3.43 -0.15 0.00 -0.60 0.00 0.00 54.58 50.38 1b5e n ASN 105 Cb 0.21 -0.67 0.02 0.00 -0.53 0.00 0.00 39.78 38.81 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 -0.74 -1.26 -3.47 1.20 4.01 -0.38 -4.20 117.16 112.33 1b5e n TYR 106 Ca 0.36 0.32 -0.21 0.00 -0.16 0.00 0.00 57.90 58.21 1b5e n TYR 106 Cb 1.18 -3.31 0.06 0.00 -0.31 0.00 0.00 39.34 36.95 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 -2.87 -2.36 -0.10 -0.72 0.00 -0.94 -4.83 120.51 108.69 1b5e n ALA 107 Ca -0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1b5e n ALA 107 Cb 0.58 -4.26 -0.02 0.00 0.00 0.00 0.00 19.45 15.75 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 -1.53 0.47 0.33 0.00 1.08 -1.70 -0.84 115.11 112.92 1b5e h GLN 108 Ca -0.62 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 56.47 1b5e h GLN 108 Cb 1.34 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1b5e h GLN 108 CO 0.48 0.49 -0.16 -0.92 -0.95 0.00 0.00 178.83 177.77 1b5e h TYR 109 N 0.35 -0.41 -0.91 2.96 5.03 -1.12 -1.41 116.97 121.46 1b5e h TYR 109 Ca 0.10 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.41 1b5e h TYR 109 Cb 0.20 0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.57 1b5e h TYR 109 CO -0.00 -0.20 0.60 -0.44 -1.32 0.00 0.00 178.16 176.80 1b5e h ASP 110 N -0.54 1.05 0.05 -2.11 3.32 -1.75 -0.50 116.42 115.95 1b5e h ASP 110 Ca -0.05 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 1b5e h ASP 110 Cb 0.40 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1b5e h ASP 110 CO 0.08 0.76 -0.76 0.24 -1.72 0.00 0.00 179.24 177.84 1b5e h MET 111 N 1.24 0.61 -0.64 3.56 2.86 -1.01 -0.81 114.93 120.74 1b5e h MET 111 Ca 0.33 -0.50 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1b5e h MET 111 Cb -0.14 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1b5e h MET 111 CO -0.07 1.12 0.07 0.00 1.06 0.00 0.00 176.91 179.09 1b5e h LEU 113 N 1.00 0.75 -0.66 0.00 5.85 -0.98 -1.45 115.31 119.81 1b5e h LEU 113 Ca 0.19 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1b5e h LEU 113 Cb 0.48 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1b5e h LEU 113 CO 0.02 0.65 0.09 0.00 -0.34 0.00 0.00 178.44 178.86 1b5e h ALA 114 N 1.13 0.88 -0.08 1.25 0.00 -0.94 0.25 119.26 121.75 1b5e h ALA 114 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1b5e h ALA 114 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1b5e h ALA 114 CO -0.03 0.67 0.04 1.49 0.00 0.00 0.00 179.25 181.42 1b5e h GLU 115 N 1.03 0.11 0.00 0.00 4.57 -0.82 -2.00 114.58 117.47 1b5e h GLU 115 Ca 0.20 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1b5e h GLU 115 Cb 0.47 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1b5e h GLU 115 CO 0.02 0.18 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.50 1b5e h LEU 116 N 0.01 0.00 -0.86 1.64 3.38 -1.15 -0.03 115.31 118.30 1b5e h LEU 116 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1b5e h LEU 116 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1b5e h LEU 116 CO -0.00 0.46 -0.33 1.23 0.09 0.00 0.00 178.44 179.89 1b5e h GLY 117 N 2.29 0.50 0.86 0.83 0.00 -0.81 -2.96 103.07 103.79 1b5e h GLY 117 Ca -0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 47.33 46.58 1b5e h GLY 117 CO 0.06 0.40 -1.40 -1.61 0.00 0.00 0.00 176.54 173.99 1b5e h GLN 118 N 0.39 0.38 -3.09 4.80 4.15 -1.12 -3.43 115.11 117.18 1b5e h GLN 118 Ca 0.05 -0.64 -0.55 0.00 0.77 0.00 0.00 58.65 58.28 1b5e h GLN 118 Cb 0.77 0.24 -0.40 0.00 0.21 0.00 0.00 27.48 28.30 1b5e h GLN 118 CO 0.06 1.31 -0.77 1.21 -1.93 0.00 0.00 178.83 178.71 1b5e s ASN 119 N -7.24 3.70 0.54 -0.69 3.04 -0.04 -5.00 114.94 109.24 1b5e s ASN 119 Ca -0.15 -1.41 0.28 0.00 0.04 0.00 0.00 52.86 51.63 1b5e s ASN 119 Cb 0.04 -0.54 1.54 0.00 -1.54 0.00 0.00 41.25 40.75 1b5e s ASN 119 CO 0.85 -0.43 2.12 -0.65 -3.04 0.00 0.00 177.10 175.95 1b5e h PRO 120 N 8.29 0.00 -0.01 0.43 0.11 -1.76 -1.44 132.00 137.61 1b5e h PRO 120 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1b5e h PRO 120 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1b5e h PRO 120 CO 0.45 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 1b5e n ASP 121 N -3.68 1.09 -4.70 -2.05 8.00 -1.26 -4.07 116.55 109.87 1b5e n ASP 121 Ca -0.02 -1.37 -0.40 0.00 0.71 0.00 0.00 54.79 53.71 1b5e n ASP 121 Cb 0.20 -0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 -0.15 2.32 -0.89 -2.24 2.88 -0.54 -4.91 113.62 110.09 1b5e n SER 122 Ca 0.20 1.03 0.12 0.00 -1.33 0.00 0.00 58.87 58.89 1b5e n SER 122 Cb 0.29 -1.50 0.26 0.00 -0.75 0.00 0.00 64.21 62.50 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 -0.40 2.19 -0.45 -1.46 1.74 -1.26 -4.32 116.66 112.70 1b5e n ARG 123 Ca 0.09 -1.77 0.08 0.00 -0.77 0.00 0.00 57.85 55.48 1b5e n ARG 123 Cb 0.42 -1.47 0.28 0.00 -1.02 0.00 0.00 32.46 30.67 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 1.03 3.28 -2.78 5.56 1.74 -1.26 -4.86 116.66 119.38 1b5e n ARG 124 Ca 0.17 -2.64 -0.43 0.00 -0.77 0.00 0.00 57.85 54.19 1b5e n ARG 124 Cb 0.51 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.15 1.26 -0.08 -0.13 0.00 -1.26 -4.94 107.32 101.02 1b5e s GLY 125 Ca 0.41 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 1b5e s GLY 125 CO 0.19 2.20 0.33 -1.50 0.00 0.00 0.00 173.10 174.32 1b5e s ILE 126 N 4.44 0.02 -0.24 0.90 2.07 -1.26 -0.82 121.20 126.31 1b5e s ILE 126 Ca 0.26 -0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1b5e s ILE 126 Cb -0.15 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 41.92 1b5e s ILE 126 CO 0.12 -0.10 -0.04 -0.04 -1.91 0.00 0.00 174.94 172.96 1b5e s MET 127 N -0.42 3.03 -0.41 3.50 -1.94 0.94 -4.55 119.30 119.47 1b5e s MET 127 Ca -0.05 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 52.91 1b5e s MET 127 Cb -0.04 -3.02 0.02 0.00 2.01 0.00 0.00 34.83 33.80 1b5e s MET 127 CO 0.02 -0.34 0.40 0.42 -0.01 0.00 0.00 175.02 175.52 1b5e s ILE 128 N 1.39 5.13 -0.17 2.53 1.01 -1.26 -0.91 121.20 128.91 1b5e s ILE 128 Ca 0.02 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 1b5e s ILE 128 Cb -0.16 -3.99 -0.18 0.00 0.01 0.00 0.00 42.46 38.14 1b5e s ILE 128 CO -0.04 -0.35 0.34 1.88 0.00 0.00 0.00 174.94 176.77 1b5e h TYR 129 N 8.67 0.00 -4.01 3.97 -1.99 -1.44 -3.47 116.97 118.70 1b5e h TYR 129 Ca -0.27 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.00 1b5e h TYR 129 Cb 1.12 0.00 0.11 0.00 2.00 0.00 0.00 36.73 39.96 1b5e h TYR 129 CO 0.62 1.07 0.34 -0.08 -0.00 0.00 0.00 178.16 180.11 1b5e s THR 130 N -2.24 2.08 0.03 -2.88 -1.32 -0.87 -4.96 115.64 105.47 1b5e s THR 130 Ca -0.22 -0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.01 1b5e s THR 130 Cb 0.02 -2.96 0.02 0.00 -1.51 0.00 0.00 72.50 68.07 1b5e s THR 130 CO 0.54 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 173.24 1b5e s ARG 131 N -5.55 0.76 0.37 7.08 1.70 -1.26 -5.05 118.95 116.99 1b5e s ARG 131 Ca 0.66 -0.44 0.08 0.00 -0.47 0.00 0.00 55.73 55.55 1b5e s ARG 131 Cb -0.08 0.33 0.79 0.00 -0.57 0.00 0.00 34.95 35.42 1b5e s ARG 131 CO 0.49 -0.23 1.93 -1.35 -1.08 0.00 0.00 175.30 175.06 1b5e h PRO 132 N 3.42 0.68 0.00 3.89 0.11 -2.04 -0.39 132.00 137.67 1b5e h PRO 132 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1b5e h PRO 132 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1b5e h PRO 132 CO 0.45 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 1b5e n SER 133 N -4.50 0.00 0.30 -2.05 3.41 -1.26 -2.65 113.62 106.87 1b5e n SER 133 Ca 0.13 -0.13 0.18 0.00 -0.26 0.00 0.00 58.87 58.79 1b5e n SER 133 Cb 0.32 -0.19 1.01 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.07 4.33 -1.53 -1.47 0.90 114.93 117.10 1b5e h MET 134 Ca 0.00 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1b5e h MET 134 Cb 0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.15 1b5e h MET 134 CO 0.00 0.00 0.08 1.96 0.14 0.00 0.00 176.91 179.09 1b5e h GLN 135 N 0.00 0.00 0.00 0.39 1.08 -1.73 -2.72 115.11 112.13 1b5e h GLN 135 Ca 0.02 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1b5e h GLN 135 Cb 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1b5e h GLN 135 CO -0.00 0.00 -1.42 1.19 -0.95 0.00 0.00 178.83 177.65 1b5e n PHE 136 N -3.80 0.00 0.26 2.96 3.72 0.01 -4.70 117.46 115.91 1b5e n PHE 136 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 1b5e n PHE 136 Cb 0.17 -0.29 0.42 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.22 4.37 3.32 -0.79 -3.35 116.42 120.19 1b5e h ASP 137 Ca -0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1b5e h ASP 137 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1b5e h ASP 137 CO 0.01 0.00 -0.04 0.10 -1.72 0.00 0.00 179.24 177.59 1b5e h TYR 138 N 0.00 0.00 0.00 4.55 -0.00 -1.70 -2.50 116.97 117.31 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 0.75 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 37.41 1b5e h TYR 138 CO 0.00 0.04 -0.49 0.27 -0.00 0.00 0.00 178.16 177.98 1b5e n ASN 139 N -3.45 1.60 -4.65 0.10 6.94 -1.25 -0.95 115.26 113.60 1b5e n ASN 139 Ca -0.02 -3.25 -0.47 0.00 -0.02 0.00 0.00 54.58 50.81 1b5e n ASN 139 Cb 0.15 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.82 1.95 -2.12 -3.83 4.81 -0.95 -1.00 118.16 116.21 1b5e n LYS 140 Ca 0.15 0.70 -0.13 0.00 -0.87 0.00 0.00 58.31 58.16 1b5e n LYS 140 Cb 0.76 -2.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.34 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 3.22 -3.79 0.00 3.14 8.00 -1.26 -1.52 116.55 124.33 1b5e n ASP 141 Ca 0.17 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1b5e n ASP 141 Cb 0.27 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -0.64 0.55 3.67 0.44 0.00 -0.17 -1.96 105.19 107.08 1b5e n GLY 142 Ca -0.14 -0.13 -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 -0.35 0.76 -0.52 1.61 0.23 -0.58 -4.61 119.30 115.84 1b5e s MET 143 Ca 0.00 0.90 0.04 0.00 -1.03 0.00 0.00 55.69 55.60 1b5e s MET 143 Cb 0.00 -1.75 0.17 0.00 -1.53 0.00 0.00 34.83 31.73 1b5e s MET 143 CO 0.00 -2.61 0.40 0.45 -2.03 0.00 0.00 175.02 171.24 1b5e n SER 144 N -4.14 0.80 -3.25 -1.18 2.88 -0.10 -4.09 113.62 104.54 1b5e n SER 144 Ca 0.07 -2.69 -0.19 0.00 -1.33 0.00 0.00 58.87 54.73 1b5e n SER 144 Cb 0.55 -0.63 -0.07 0.00 -0.75 0.00 0.00 64.21 63.31 1b5e n SER 144 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b5e s ASP 145 N -0.54 0.81 -0.33 -3.46 2.15 -0.12 -4.82 116.67 110.36 1b5e s ASP 145 Ca 0.30 -2.33 -0.21 0.00 0.43 0.00 0.00 52.55 50.74 1b5e s ASP 145 Cb 0.02 0.34 -0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1b5e s ASP 145 CO -0.19 -0.18 0.68 0.12 -0.17 0.00 0.00 175.17 175.44 1b5e s PHE 146 N 0.66 3.17 -0.41 -5.34 2.19 -1.26 -4.45 117.98 112.54 1b5e s PHE 146 Ca 0.27 0.52 -0.44 0.00 0.33 0.00 0.00 56.93 57.61 1b5e s PHE 146 Cb -0.04 -3.15 -0.19 0.00 -1.31 0.00 0.00 43.02 38.33 1b5e s PHE 146 CO -0.11 -0.59 1.63 -0.12 1.83 0.00 0.00 175.22 177.86 1b5e n MET 147 N 6.09 0.39 0.09 10.12 0.00 -1.26 -4.86 117.12 127.68 1b5e n MET 147 Ca 0.00 0.14 0.12 0.00 -0.00 0.00 0.00 57.70 57.96 1b5e n MET 147 Cb 0.49 -1.70 0.02 0.00 0.00 0.00 0.00 33.22 32.02 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 -3.33 5.17 -0.09 0.00 2.01 -1.26 -0.20 115.64 117.94 1b5e s THR 149 Ca 0.00 0.83 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 1b5e s THR 149 Cb 0.11 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1b5e s THR 149 CO 0.79 0.24 -0.10 0.78 -0.69 0.00 0.00 174.62 175.64 1b5e h ASN 150 N 7.25 0.00 -5.09 3.53 2.35 -1.22 -3.30 115.58 119.10 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 39.37 1b5e h ASN 150 CO 0.73 0.48 -0.42 0.42 -1.65 0.00 0.00 177.43 177.00 1b5e s THR 151 N -1.75 0.12 -0.08 2.81 -4.23 -1.13 -1.27 115.64 110.10 1b5e s THR 151 Ca -0.08 -1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1b5e s THR 151 Cb 0.01 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.87 1b5e s THR 151 CO 0.12 -0.55 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.90 1b5e s VAL 152 N -2.85 0.77 -0.04 2.29 1.01 -0.09 -1.28 120.40 120.21 1b5e s VAL 152 Ca -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1b5e s VAL 152 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1b5e s VAL 152 CO -0.05 0.31 0.02 -1.58 0.00 0.00 0.00 175.10 173.80 1b5e s GLN 153 N 1.53 2.96 -0.14 2.72 0.74 -0.51 -0.04 119.66 126.92 1b5e s GLN 153 Ca 0.00 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 54.96 1b5e s GLN 153 Cb -0.13 -2.79 0.01 0.00 1.10 0.00 0.00 33.01 31.20 1b5e s GLN 153 CO -0.05 0.67 -0.21 0.71 -0.55 0.00 0.00 175.29 175.86 1b5e s TYR 154 N -1.02 2.68 -0.15 1.67 1.51 -0.00 -0.40 117.35 121.64 1b5e s TYR 154 Ca 0.17 -1.33 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 1b5e s TYR 154 Cb -0.12 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1b5e s TYR 154 CO 0.07 -0.61 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.29 1b5e s LEU 155 N 0.82 1.62 -0.42 -1.29 1.43 -0.18 -4.46 118.68 116.21 1b5e s LEU 155 Ca -0.07 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.31 1b5e s LEU 155 Cb -0.15 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.03 1b5e s LEU 155 CO -0.02 -0.11 0.64 -0.63 0.23 0.00 0.00 176.35 176.47 1b5e s ILE 156 N 1.56 4.84 -0.03 -0.59 1.01 -1.26 -0.94 121.20 125.79 1b5e s ILE 156 Ca 0.03 0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1b5e s ILE 156 Cb -0.14 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.18 1b5e s ILE 156 CO -0.09 -0.52 -0.04 -0.13 0.00 0.00 0.00 174.94 174.16 1b5e s ARG 157 N 2.79 0.63 -1.49 2.79 1.81 0.08 -4.67 118.95 120.89 1b5e s ARG 157 Ca 0.23 -0.08 -0.12 0.00 -1.72 0.00 0.00 55.73 54.03 1b5e s ARG 157 Cb -0.14 -0.67 0.07 0.00 -0.45 0.00 0.00 34.95 33.76 1b5e s ARG 157 CO 0.18 -0.05 1.01 -0.25 -0.68 0.00 0.00 175.30 175.51 1b5e n ASP 158 N 3.84 -5.23 -0.58 0.23 8.00 -1.26 -1.39 116.55 120.15 1b5e n ASP 158 Ca -0.24 -0.70 -0.08 0.00 0.71 0.00 0.00 54.79 54.49 1b5e n ASP 158 Cb 0.52 -4.16 -0.03 0.00 -0.02 0.00 0.00 41.12 37.43 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 -4.72 -1.53 -4.70 -1.24 5.02 -1.26 -4.96 118.16 104.76 1b5e n LYS 159 Ca 0.03 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1b5e n LYS 159 Cb 0.54 -5.01 -0.12 0.00 -0.02 0.00 0.00 35.03 30.41 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 -2.49 2.84 -0.38 1.97 1.02 -0.49 -1.13 119.74 121.08 1b5e s LYS 160 Ca 0.00 -0.60 -0.15 0.00 0.02 0.00 0.00 55.97 55.24 1b5e s LYS 160 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1b5e s LYS 160 CO 0.00 0.56 0.31 0.42 -0.92 0.00 0.00 175.35 175.72 1b5e s ILE 161 N -0.54 5.23 -0.03 2.17 1.01 -0.15 -0.74 121.20 128.15 1b5e s ILE 161 Ca 0.08 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 1b5e s ILE 161 Cb -0.12 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1b5e s ILE 161 CO 0.02 -0.20 0.26 0.20 0.00 0.00 0.00 174.94 175.21 1b5e s ASN 162 N 1.72 6.52 -0.15 3.58 0.01 -0.11 0.11 114.94 126.62 1b5e s ASN 162 Ca 0.07 0.60 -0.00 0.00 -0.71 0.00 0.00 52.86 52.82 1b5e s ASN 162 Cb -0.18 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 1b5e s ASN 162 CO 0.11 0.30 -0.13 0.00 -1.51 0.00 0.00 177.10 175.88 1b5e s ALA 163 N -1.20 2.61 -0.42 0.60 0.00 -0.38 -1.01 121.76 121.97 1b5e s ALA 163 Ca 0.24 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 1b5e s ALA 163 Cb -0.13 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 21.80 1b5e s ALA 163 CO 0.13 0.10 0.25 0.08 0.00 0.00 0.00 175.76 176.31 1b5e s VAL 164 N 0.60 3.97 -0.24 0.00 1.01 0.47 -0.32 120.40 125.88 1b5e s VAL 164 Ca -0.07 -1.58 -0.17 0.00 0.00 0.00 0.00 61.98 60.15 1b5e s VAL 164 Cb -0.16 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1b5e s VAL 164 CO 0.03 -0.56 0.49 -0.69 0.00 0.00 0.00 175.10 174.37 1b5e s VAL 165 N 1.35 5.11 -0.31 2.92 1.01 0.42 -1.43 120.40 129.47 1b5e s VAL 165 Ca 0.04 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1b5e s VAL 165 Cb -0.23 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1b5e s VAL 165 CO 0.00 0.14 0.02 0.21 0.00 0.00 0.00 175.10 175.47 1b5e s ASN 166 N 1.38 4.98 0.03 3.32 2.47 -0.40 -0.41 114.94 126.30 1b5e s ASN 166 Ca 0.21 -1.23 0.07 0.00 0.42 0.00 0.00 52.86 52.33 1b5e s ASN 166 Cb -0.15 -1.75 -0.03 0.00 -1.45 0.00 0.00 41.25 37.87 1b5e s ASN 166 CO 0.09 -0.27 -0.21 -0.04 -3.72 0.00 0.00 177.10 172.95 1b5e s MET 167 N 1.29 2.04 0.09 0.43 -1.94 0.91 -0.71 119.30 121.40 1b5e s MET 167 Ca -0.04 -0.99 -0.08 0.00 -1.71 0.00 0.00 55.69 52.86 1b5e s MET 167 Cb -0.20 -2.14 -0.21 0.00 2.01 0.00 0.00 34.83 34.30 1b5e s MET 167 CO -0.00 0.54 1.20 -0.09 -0.01 0.00 0.00 175.02 176.65 1b5e h ARG 168 N 4.75 0.47 -2.04 2.03 2.43 -0.87 -0.39 114.38 120.76 1b5e h ARG 168 Ca -0.47 -0.60 -0.02 0.00 -0.81 0.00 0.00 59.98 58.08 1b5e h ARG 168 Cb 1.15 0.19 -0.21 0.00 -0.42 0.00 0.00 29.97 30.68 1b5e h ARG 168 CO 0.47 1.24 0.07 0.45 -1.51 0.00 0.00 179.97 180.68 1b5e s SER 169 N -7.23 -0.81 -0.22 -3.80 0.15 -1.23 -1.96 113.70 98.59 1b5e s SER 169 Ca -0.07 1.44 -0.08 0.00 0.70 0.00 0.00 55.95 57.95 1b5e s SER 169 Cb 0.07 1.40 0.10 0.00 -1.71 0.00 0.00 66.02 65.88 1b5e s SER 169 CO 0.90 -0.24 0.48 0.21 1.20 0.00 0.00 173.24 175.78 1b5e s ASN 170 N 0.87 -0.49 -0.06 5.45 3.04 -0.76 -4.76 114.94 118.23 1b5e s ASN 170 Ca -0.04 1.14 -0.30 0.00 0.04 0.00 0.00 52.86 53.70 1b5e s ASN 170 Cb -0.05 1.55 -0.04 0.00 -1.54 0.00 0.00 41.25 41.17 1b5e s ASN 170 CO -0.07 -0.23 1.34 -0.62 -3.04 0.00 0.00 177.10 174.48 1b5e s ASP 171 N 2.60 6.91 0.37 -4.21 2.15 -1.26 -1.93 116.67 121.29 1b5e s ASP 171 Ca -0.03 1.95 0.04 0.00 0.43 0.00 0.00 52.55 54.94 1b5e s ASP 171 Cb -0.12 -2.55 0.70 0.00 -0.30 0.00 0.00 42.92 40.65 1b5e s ASP 171 CO -0.14 -0.71 1.99 0.58 -0.17 0.00 0.00 175.17 176.72 1b5e h VAL 172 N 5.14 1.15 0.00 1.11 2.07 -1.29 0.16 116.25 124.60 1b5e h VAL 172 Ca -0.34 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1b5e h VAL 172 Cb 1.16 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1b5e h VAL 172 CO 0.92 0.17 -0.25 0.58 0.02 0.00 0.00 177.57 179.00 1b5e h VAL 173 N 0.67 0.00 0.03 2.57 2.07 -1.83 -3.37 116.25 116.39 1b5e h VAL 173 Ca 0.17 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1b5e h VAL 173 Cb 0.02 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1b5e h VAL 173 CO -0.03 0.00 -0.36 -0.26 0.02 0.00 0.00 177.57 176.94 1b5e h PHE 174 N -0.55 0.11 0.39 1.57 0.04 -1.89 -3.36 116.94 113.25 1b5e h PHE 174 Ca 0.00 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 1b5e h PHE 174 Cb 0.25 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1b5e h PHE 174 CO -0.11 1.14 -0.24 0.78 -0.60 0.00 0.00 178.31 179.28 1b5e h GLY 175 N -0.84 -0.63 1.00 -1.45 0.00 -1.69 -2.40 103.07 97.05 1b5e h GLY 175 Ca -0.08 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1b5e h GLY 175 CO 0.00 -0.24 0.37 -2.75 0.00 0.00 0.00 176.54 173.92 1b5e h PHE 176 N -0.60 0.83 -0.02 5.60 3.57 -0.85 0.18 116.94 125.64 1b5e h PHE 176 Ca -0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1b5e h PHE 176 Cb 0.50 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1b5e h PHE 176 CO -0.10 0.57 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.43 1b5e h ARG 177 N 0.85 -0.05 -0.25 1.11 2.43 -1.68 0.25 114.38 117.04 1b5e h ARG 177 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1b5e h ARG 177 Cb -0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1b5e h ARG 177 CO -0.04 -0.04 0.03 -0.91 -1.51 0.00 0.00 179.97 177.51 1b5e h ASN 178 N -0.05 0.40 -0.11 -3.80 2.35 -1.16 -2.43 115.58 110.79 1b5e h ASN 178 Ca 0.02 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.39 1b5e h ASN 178 Cb 0.09 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1b5e h ASN 178 CO -0.06 0.57 -0.33 0.44 -1.65 0.00 0.00 177.43 176.40 1b5e h ASP 179 N 0.22 0.62 -0.12 5.81 3.32 -0.48 -2.09 116.42 123.70 1b5e h ASP 179 Ca 0.08 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1b5e h ASP 179 Cb 0.34 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1b5e h ASP 179 CO 0.01 0.90 0.05 0.22 -1.72 0.00 0.00 179.24 178.70 1b5e h TYR 180 N 0.51 0.17 -0.91 4.55 3.20 -0.46 -0.52 116.97 123.50 1b5e h TYR 180 Ca 0.06 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1b5e h TYR 180 Cb 0.81 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.95 1b5e h TYR 180 CO 0.03 0.25 0.54 0.00 -1.64 0.00 0.00 178.16 177.35 1b5e h ALA 181 N 0.90 1.35 0.02 1.82 0.00 -1.17 0.76 119.26 122.93 1b5e h ALA 181 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b5e h ALA 181 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b5e h ALA 181 CO -0.00 0.14 -0.01 2.35 0.00 0.00 0.00 179.25 181.73 1b5e h TRP 182 N 0.87 -0.02 -0.34 0.00 2.91 -1.17 -1.25 115.95 116.95 1b5e h TRP 182 Ca 0.45 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.41 1b5e h TRP 182 Cb 0.45 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 1b5e h TRP 182 CO -0.04 0.22 -0.05 1.96 -1.03 0.00 0.00 178.44 179.51 1b5e h GLN 183 N -0.26 0.56 -0.56 2.65 1.08 -0.55 -1.40 115.11 116.63 1b5e h GLN 183 Ca -0.00 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 1b5e h GLN 183 Cb 0.25 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1b5e h GLN 183 CO 0.00 0.61 0.12 -0.22 -0.95 0.00 0.00 178.83 178.40 1b5e h LYS 184 N 0.52 0.91 -0.19 1.46 1.63 -0.78 -0.96 116.57 119.16 1b5e h LYS 184 Ca 0.11 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1b5e h LYS 184 Cb 0.41 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1b5e h LYS 184 CO 0.02 0.85 0.07 -0.92 -3.45 0.00 0.00 179.45 176.02 1b5e h TYR 185 N 0.80 0.12 -0.51 1.91 3.20 -0.71 -0.62 116.97 121.15 1b5e h TYR 185 Ca 0.17 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1b5e h TYR 185 Cb 0.37 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1b5e h TYR 185 CO 0.03 0.06 -0.12 0.28 -1.64 0.00 0.00 178.16 176.76 1b5e h VAL 186 N 0.16 1.27 -0.28 1.81 2.07 -1.10 -0.90 116.25 119.27 1b5e h VAL 186 Ca 0.08 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1b5e h VAL 186 Cb 0.05 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1b5e h VAL 186 CO -0.09 0.44 0.15 0.25 0.02 0.00 0.00 177.57 178.34 1b5e h LEU 187 N 0.86 0.36 -0.63 2.57 5.85 -0.86 0.23 115.31 123.68 1b5e h LEU 187 Ca 0.13 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1b5e h LEU 187 Cb 0.67 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1b5e h LEU 187 CO 0.05 0.35 0.39 0.44 -0.34 0.00 0.00 178.44 179.33 1b5e h ASP 188 N 0.33 0.76 -0.24 1.25 3.32 -0.94 -0.90 116.42 120.00 1b5e h ASP 188 Ca 0.10 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1b5e h ASP 188 Cb 0.08 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1b5e h ASP 188 CO -0.01 0.59 -0.04 0.50 -1.72 0.00 0.00 179.24 178.56 1b5e h LYS 189 N 0.86 0.03 -0.70 3.56 3.11 -0.93 -0.88 116.57 121.62 1b5e h LYS 189 Ca 0.23 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.02 1b5e h LYS 189 Cb -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.16 1b5e h LYS 189 CO -0.04 0.02 0.26 1.25 -2.81 0.00 0.00 179.45 178.12 1b5e h LEU 190 N 0.03 0.98 -0.49 5.20 5.85 -0.50 -0.48 115.31 125.90 1b5e h LEU 190 Ca 0.12 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1b5e h LEU 190 Cb 0.17 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1b5e h LEU 190 CO -0.23 0.90 0.26 0.58 -0.34 0.00 0.00 178.44 179.61 1b5e h VAL 191 N 1.01 0.97 -0.07 1.05 2.07 -0.91 -1.28 116.25 119.08 1b5e h VAL 191 Ca 0.23 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1b5e h VAL 191 Cb 0.24 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1b5e h VAL 191 CO -0.02 0.09 0.04 0.28 0.02 0.00 0.00 177.57 177.99 1b5e h SER 192 N 0.50 0.08 -0.54 0.57 0.02 -0.69 -1.02 113.55 112.47 1b5e h SER 192 Ca 0.21 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1b5e h SER 192 Cb 0.11 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1b5e h SER 192 CO -0.14 0.08 0.05 0.44 -1.14 0.00 0.00 176.83 176.12 1b5e h ASP 193 N 0.07 0.92 -0.36 3.07 3.32 -0.92 0.61 116.42 123.14 1b5e h ASP 193 Ca 0.03 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.71 1b5e h ASP 193 Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1b5e h ASP 193 CO -0.01 0.95 -0.30 -0.07 -1.72 0.00 0.00 179.24 178.09 1b5e h LEU 194 N 0.89 0.93 -0.77 1.55 3.38 -1.10 -2.63 115.31 117.55 1b5e h LEU 194 Ca 0.17 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1b5e h LEU 194 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1b5e h LEU 194 CO 0.02 1.15 -0.32 0.78 0.09 0.00 0.00 178.44 180.17 1b5e h ASN 195 N 0.75 0.59 0.51 -0.43 2.35 -0.88 -2.23 115.58 116.24 1b5e h ASN 195 Ca 0.08 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1b5e h ASN 195 Cb 0.87 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1b5e h ASN 195 CO 0.08 0.87 -0.16 0.00 -1.65 0.00 0.00 177.43 176.57 1b5e h ALA 196 N 1.17 1.22 0.00 -0.83 0.00 -0.81 -2.73 119.26 117.28 1b5e h ALA 196 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1b5e h ALA 196 Cb 0.79 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1b5e h ALA 196 CO 0.06 0.20 -0.57 0.78 0.00 0.00 0.00 179.25 179.72 1b5e h GLY 197 N 1.17 0.00 -5.41 0.00 0.00 -1.02 -3.44 103.07 94.38 1b5e h GLY 197 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.42 1b5e h GLY 197 CO 0.02 0.00 -0.14 -0.35 0.00 0.00 0.00 176.54 176.07 1b5e s ASP 198 N -6.62 -1.17 0.18 0.19 -1.08 -1.03 -5.05 116.67 102.09 1b5e s ASP 198 Ca 0.00 1.24 0.21 0.00 -0.52 0.00 0.00 52.55 53.49 1b5e s ASP 198 Cb 0.11 2.18 0.88 0.00 -1.46 0.00 0.00 42.92 44.63 1b5e s ASP 198 CO 0.74 -0.22 1.65 -1.54 0.52 0.00 0.00 175.17 176.32 1b5e n SER 199 N 5.41 0.48 -0.19 -0.34 3.41 -1.24 -1.78 113.62 119.37 1b5e n SER 199 Ca -0.08 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1b5e n SER 199 Cb 0.50 -0.72 0.44 0.00 -0.26 0.00 0.00 64.21 64.18 1b5e n SER 199 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b5e n THR 200 N -2.02 0.00 0.01 6.66 -2.24 -1.26 -4.19 114.28 111.24 1b5e n THR 200 Ca 0.03 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1b5e n THR 200 Cb 0.22 0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.92 -0.05 -6.34 -0.78 3.08 -1.68 -3.47 114.38 106.06 1b5e h ARG 201 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1b5e h ARG 201 Cb 0.46 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1b5e h ARG 201 CO 0.00 0.36 -0.79 1.04 -1.07 0.00 0.00 179.97 179.51 1b5e n GLN 202 N -4.92 -4.96 -1.81 0.04 1.13 -1.26 -4.95 117.38 100.66 1b5e n GLN 202 Ca -0.08 0.56 -0.33 0.00 -1.94 0.00 0.00 57.00 55.20 1b5e n GLN 202 Cb 0.23 -5.32 0.04 0.00 0.11 0.00 0.00 30.24 25.30 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 -3.41 2.65 0.06 1.08 2.02 -1.26 -4.95 117.35 113.54 1b5e s TYR 203 Ca 0.52 1.55 0.04 0.00 -0.37 0.00 0.00 57.07 58.80 1b5e s TYR 203 Cb -0.26 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.10 1b5e s TYR 203 CO 0.84 -1.64 -0.11 0.21 -1.57 0.00 0.00 175.55 173.28 1b5e s LYS 204 N -4.04 0.70 0.22 -0.62 2.20 -0.28 -4.97 119.74 112.95 1b5e s LYS 204 Ca 0.67 -0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 1b5e s LYS 204 Cb -0.20 -0.60 -0.11 0.00 -1.51 0.00 0.00 37.83 35.41 1b5e s LYS 204 CO 0.40 0.13 1.56 0.00 -0.36 0.00 0.00 175.35 177.08 1b5e s ALA 205 N -1.30 3.76 0.00 3.13 0.00 -1.26 -0.98 121.76 125.10 1b5e s ALA 205 Ca -0.05 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1b5e s ALA 205 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1b5e s ALA 205 CO 0.01 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1b5e n GLY 206 N 3.02 1.97 3.86 0.00 0.00 0.12 -4.69 105.19 109.46 1b5e n GLY 206 Ca 0.11 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.86 6.74 -0.35 1.61 0.01 -1.26 -4.88 113.70 114.71 1b5e s SER 207 Ca 0.00 1.02 -0.11 0.00 1.31 0.00 0.00 55.95 58.18 1b5e s SER 207 Cb 0.00 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1b5e s SER 207 CO 0.00 0.01 0.19 -0.63 0.41 0.00 0.00 173.24 173.22 1b5e s ILE 208 N -1.65 4.65 -0.24 1.44 1.01 -1.26 -1.25 121.20 123.91 1b5e s ILE 208 Ca 0.43 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 1b5e s ILE 208 Cb -0.13 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1b5e s ILE 208 CO 0.20 -0.10 0.30 -0.63 0.00 0.00 0.00 174.94 174.70 1b5e s ILE 209 N 1.59 5.25 -0.27 2.92 1.01 0.56 -0.69 121.20 131.58 1b5e s ILE 209 Ca 0.03 0.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 1b5e s ILE 209 Cb -0.18 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1b5e s ILE 209 CO 0.07 0.26 0.10 0.86 0.00 0.00 0.00 174.94 176.23 1b5e s TRP 210 N 1.45 3.13 -0.20 3.97 -0.11 0.74 -0.44 118.94 127.48 1b5e s TRP 210 Ca 0.13 -0.44 0.00 0.00 1.22 0.00 0.00 56.10 57.02 1b5e s TRP 210 Cb -0.15 -2.28 0.02 0.00 -1.50 0.00 0.00 33.47 29.56 1b5e s TRP 210 CO 0.08 -0.38 -0.16 -0.80 -4.62 0.00 0.00 176.95 171.07 1b5e s ASN 211 N 1.62 3.46 -0.05 5.86 0.01 0.45 -1.24 114.94 125.06 1b5e s ASN 211 Ca 0.06 -0.69 0.03 0.00 -0.71 0.00 0.00 52.86 51.54 1b5e s ASN 211 Cb -0.16 -1.53 0.01 0.00 0.41 0.00 0.00 41.25 39.98 1b5e s ASN 211 CO 0.05 -0.03 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.80 1b5e s VAL 212 N 1.30 1.08 0.02 1.60 1.01 0.31 -0.07 120.40 125.65 1b5e s VAL 212 Ca 0.04 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1b5e s VAL 212 Cb -0.14 -0.96 -0.17 0.00 0.00 0.00 0.00 36.38 35.11 1b5e s VAL 212 CO -0.11 0.33 1.31 1.23 0.00 0.00 0.00 175.10 177.87 1b5e h GLY 213 N 6.63 -0.39 -7.49 4.51 0.00 -1.01 -0.99 103.07 104.32 1b5e h GLY 213 Ca -0.32 0.15 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 1b5e h GLY 213 CO 0.48 -0.14 -0.77 -0.45 0.00 0.00 0.00 176.54 175.66 1b5e s SER 214 N -5.09 3.85 -0.35 0.19 0.15 -0.83 -0.86 113.70 110.76 1b5e s SER 214 Ca -0.14 -1.32 -0.13 0.00 0.70 0.00 0.00 55.95 55.05 1b5e s SER 214 Cb 0.03 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.25 1b5e s SER 214 CO 0.57 -0.30 0.26 -0.22 1.20 0.00 0.00 173.24 174.76 1b5e s LEU 215 N 1.45 4.62 0.08 3.45 2.96 -0.21 -1.83 118.68 129.20 1b5e s LEU 215 Ca -0.00 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1b5e s LEU 215 Cb -0.18 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1b5e s LEU 215 CO -0.10 -0.28 -0.08 -1.38 -1.32 0.00 0.00 176.35 173.19 1b5e s HIS 216 N 1.74 0.86 -0.12 5.38 -3.43 -0.81 -0.36 115.29 118.54 1b5e s HIS 216 Ca 0.06 -0.72 0.01 0.00 -0.80 0.00 0.00 55.06 53.61 1b5e s HIS 216 Cb -0.18 -0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 30.47 1b5e s HIS 216 CO 0.11 -0.09 -0.15 0.08 -2.00 0.00 0.00 174.74 172.68 1b5e s VAL 217 N -2.63 2.87 0.56 -5.38 1.01 -0.37 -0.71 120.40 115.75 1b5e s VAL 217 Ca 0.03 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1b5e s VAL 217 Cb -0.02 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1b5e s VAL 217 CO -0.02 0.53 1.03 -0.31 0.00 0.00 0.00 175.10 176.33 1b5e s TYR 218 N 0.35 3.14 0.52 5.22 2.02 -1.26 -1.95 117.35 125.39 1b5e s TYR 218 Ca -0.12 1.50 0.17 0.00 -0.37 0.00 0.00 57.07 58.25 1b5e s TYR 218 Cb -0.16 -2.94 1.29 0.00 -0.40 0.00 0.00 41.96 39.74 1b5e s TYR 218 CO 0.06 -0.85 2.14 0.66 -1.57 0.00 0.00 175.55 176.00 1b5e h SER 219 N 0.70 0.00 0.31 2.29 4.64 -1.58 0.11 113.55 120.02 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 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 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 -4.52 0.04 -0.10 4.77 1.85 -1.26 -1.63 116.66 115.81 1b5e n ARG 220 Ca -0.02 0.40 0.04 0.00 -1.00 0.00 0.00 57.85 57.27 1b5e n ARG 220 Cb 0.12 -1.60 0.09 0.00 -1.05 0.00 0.00 32.46 30.02 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 -1.69 0.26 0.05 2.89 8.25 0.02 -4.64 115.22 120.37 1b5e n HIS 221 Ca 0.02 -0.41 0.05 0.00 -0.26 0.00 0.00 57.72 57.12 1b5e n HIS 221 Cb 0.11 -0.03 0.47 0.00 1.12 0.00 0.00 29.99 31.66 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 1.44 0.40 0.00 4.41 0.04 -1.28 -1.91 116.94 120.04 1b5e h PHE 222 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1b5e h PHE 222 Cb 0.60 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 1b5e h PHE 222 CO 0.13 0.25 -0.05 0.10 -0.60 0.00 0.00 178.31 178.14 1b5e h TYR 223 N 0.43 0.00 -0.27 -0.55 -0.00 -1.82 -0.15 116.97 114.61 1b5e h TYR 223 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.79 1b5e h TYR 223 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.69 1b5e h TYR 223 CO -0.00 0.05 -0.09 -0.07 -0.00 0.00 0.00 178.16 178.06 1b5e h LEU 224 N 0.00 0.55 -0.45 0.10 3.38 -1.69 -0.49 115.31 116.71 1b5e h LEU 224 Ca -0.00 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1b5e h LEU 224 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1b5e h LEU 224 CO 0.01 0.80 -0.00 0.58 0.09 0.00 0.00 178.44 179.92 1b5e h VAL 225 N 0.29 1.26 -0.10 1.22 2.07 -1.27 -1.88 116.25 117.85 1b5e h VAL 225 Ca 0.07 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1b5e h VAL 225 Cb 0.57 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1b5e h VAL 225 CO 0.03 0.36 0.06 -0.78 0.02 0.00 0.00 177.57 177.26 1b5e h ASP 226 N 0.64 0.12 -0.73 0.57 3.58 -1.06 0.15 116.42 119.68 1b5e h ASP 226 Ca 0.13 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1b5e h ASP 226 Cb 0.50 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1b5e h ASP 226 CO 0.02 0.11 0.37 -0.74 -2.88 0.00 0.00 179.24 176.13 1b5e h HIS 227 N 0.11 1.04 -0.48 0.28 2.76 -1.07 -1.17 115.15 116.61 1b5e h HIS 227 Ca 0.04 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1b5e h HIS 227 Cb 0.02 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 1b5e h HIS 227 CO -0.06 0.75 0.02 2.35 -1.30 0.00 0.00 177.93 179.69 1b5e h TRP 228 N 1.02 0.83 -0.63 5.26 7.01 -1.02 -0.09 115.95 128.33 1b5e h TRP 228 Ca 0.25 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1b5e h TRP 228 Cb 0.09 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 1b5e h TRP 228 CO 0.00 0.76 0.33 2.35 -2.79 0.00 0.00 178.44 179.09 1b5e h TRP 229 N 0.74 0.86 0.14 2.65 2.91 0.43 0.26 115.95 123.94 1b5e h TRP 229 Ca 0.15 -0.02 -0.31 0.00 1.13 0.00 0.00 58.89 59.84 1b5e h TRP 229 Cb 0.42 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1b5e h TRP 229 CO 0.02 0.62 -1.53 0.87 -1.03 0.00 0.00 178.44 177.39 1b5e h LYS 230 N 0.88 0.29 0.00 2.65 1.57 -0.82 -3.42 116.57 117.72 1b5e h LYS 230 Ca 0.22 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1b5e h LYS 230 Cb 0.05 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1b5e h LYS 230 CO -0.03 1.17 -0.93 0.25 -0.57 0.00 0.00 179.45 179.34 1b5e n THR 231 N -3.49 0.00 -0.78 -0.16 -2.24 -0.09 -5.02 114.28 102.50 1b5e n THR 231 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1b5e n THR 231 Cb 1.05 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 2.43 0.75 3.73 3.38 0.00 0.90 -5.02 105.19 111.36 1b5e n GLY 232 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.22 4.40 0.00 1.61 2.02 -1.26 -4.97 118.70 120.28 1b5e s GLU 233 Ca 0.00 0.78 0.29 0.00 0.02 0.00 0.00 54.97 56.06 1b5e s GLU 233 Cb 0.00 -3.42 1.34 0.00 0.10 0.00 0.00 34.13 32.15 1b5e s GLU 233 CO 0.00 0.16 1.91 0.25 0.02 0.00 0.00 175.26 177.59 1b5e n THR 234 N 3.49 0.00 -3.72 3.63 -2.24 -1.26 -3.56 114.28 110.62 1b5e n THR 234 Ca -0.04 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1b5e n THR 234 Cb 0.51 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.07 -0.50 0.14 4.78 5.65 -1.26 -0.57 115.29 121.46 1b5e s HIS 235 Ca 0.40 1.21 0.03 0.00 0.25 0.00 0.00 55.06 56.95 1b5e s HIS 235 Cb 0.21 0.17 -0.04 0.00 -1.18 0.00 0.00 32.58 31.74 1b5e s HIS 235 CO 0.37 -0.24 -0.07 0.42 -0.65 0.00 0.00 174.74 174.56 1b5e s ILE 236 N 0.30 0.97 0.43 0.89 1.09 -1.26 -5.04 121.20 118.58 1b5e s ILE 236 Ca -0.00 -2.02 -0.24 0.00 -1.10 0.00 0.00 60.65 57.29 1b5e s ILE 236 Cb -0.03 -1.87 -0.08 0.00 -1.06 0.00 0.00 42.46 39.41 1b5e s ILE 236 CO -0.00 -0.72 1.21 -0.55 -0.10 0.00 0.00 174.94 174.79 1b5e s SER 237 N -3.15 6.26 0.42 3.58 0.15 -1.26 -4.91 113.70 114.79 1b5e s SER 237 Ca 0.17 2.44 0.12 0.00 0.70 0.00 0.00 55.95 59.38 1b5e s SER 237 Cb 0.04 -2.62 0.97 0.00 -1.71 0.00 0.00 66.02 62.70 1b5e s SER 237 CO 0.00 -0.87 1.99 0.11 1.20 0.00 0.00 173.24 175.67 1b5e h LYS 238 N 2.36 0.46 -0.01 5.44 1.57 -2.01 -2.36 116.57 122.03 1b5e h LYS 238 Ca -0.49 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.08 1b5e h LYS 238 Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1b5e h LYS 238 CO 0.61 0.30 -0.79 0.87 -0.57 0.00 0.00 179.45 179.88 1b5e h LYS 239 N 0.47 0.15 0.00 3.15 1.57 -2.07 -2.98 116.57 116.87 1b5e h LYS 239 Ca 0.27 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1b5e h LYS 239 Cb 0.43 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1b5e h LYS 239 CO -0.08 0.86 -0.13 -0.25 -0.57 0.00 0.00 179.45 179.29 1b5e n ASP 240 N -3.70 0.49 0.00 0.86 9.92 -0.93 -5.26 116.55 117.93 1b5e n ASP 240 Ca -0.03 0.42 0.05 0.00 -0.53 0.00 0.00 54.79 54.70 1b5e n ASP 240 Cb 0.75 -0.47 0.31 0.00 -0.64 0.00 0.00 41.12 41.07 1b5e n ASP 240 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33