#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5d s ILE 2 N 0.00 4.21 0.59 3.17 1.09 -1.26 -5.02 121.20 123.98 1b5d s ILE 2 Ca 0.00 2.07 -0.20 0.00 -1.10 0.00 0.00 60.65 61.42 1b5d s ILE 2 Cb 0.00 -4.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.05 1b5d s ILE 2 CO 0.00 0.43 1.30 -0.55 -0.10 0.00 0.00 174.94 176.01 1b5d s SER 3 N -0.72 5.04 -1.04 3.58 0.15 -1.26 -4.91 113.70 114.54 1b5d s SER 3 Ca 0.43 2.62 -0.23 0.00 0.70 0.00 0.00 55.95 59.48 1b5d s SER 3 Cb -0.25 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.49 1b5d s SER 3 CO 0.31 -1.71 1.48 -1.81 1.20 0.00 0.00 173.24 172.72 1b5d s ASP 4 N -1.25 6.49 0.40 5.45 1.11 -1.26 -4.98 116.67 122.63 1b5d s ASP 4 Ca 0.76 -1.51 0.03 0.00 0.18 0.00 0.00 52.55 52.01 1b5d s ASP 4 Cb -0.37 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.04 1b5d s ASP 4 CO 0.41 -1.51 0.58 -0.44 1.18 0.00 0.00 175.17 175.39 1b5d s SER 5 N 4.99 5.90 0.93 0.27 0.01 -1.26 -5.09 113.70 119.44 1b5d s SER 5 Ca 0.47 0.09 -0.10 0.00 1.31 0.00 0.00 55.95 57.72 1b5d s SER 5 Cb 0.00 -1.42 0.15 0.00 0.21 0.00 0.00 66.02 64.97 1b5d s SER 5 CO -0.08 -0.58 1.15 -0.04 0.41 0.00 0.00 173.24 174.09 1b5d s MET 6 N -4.39 0.92 0.52 12.44 -1.94 -1.26 -4.75 119.30 120.85 1b5d s MET 6 Ca 0.47 1.54 0.05 0.00 -1.71 0.00 0.00 55.69 56.04 1b5d s MET 6 Cb -0.10 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 35.05 1b5d s MET 6 CO 0.35 -2.70 0.34 0.95 -0.01 0.00 0.00 175.02 173.96 1b5d s THR 7 N -2.64 1.71 0.33 2.05 -4.23 -1.26 -0.49 115.64 111.11 1b5d s THR 7 Ca 0.67 -1.55 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1b5d s THR 7 Cb -0.23 -2.26 0.14 0.00 1.34 0.00 0.00 72.50 71.49 1b5d s THR 7 CO 0.58 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.10 1b5d h VAL 8 N 0.88 1.21 -0.39 2.29 2.07 -1.95 -2.46 116.25 117.90 1b5d h VAL 8 Ca -0.38 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1b5d h VAL 8 Cb 1.30 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1b5d h VAL 8 CO 0.60 0.29 0.24 -0.33 0.02 0.00 0.00 177.57 178.39 1b5d h GLU 9 N 0.46 0.52 -0.34 1.57 4.39 -1.95 -0.40 114.58 118.83 1b5d h GLU 9 Ca 0.09 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1b5d h GLU 9 Cb 0.39 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1b5d h GLU 9 CO 0.02 0.37 -0.09 0.93 -1.16 0.00 0.00 179.01 179.08 1b5d h GLU 10 N 0.51 0.56 -0.72 2.33 5.08 -1.92 -2.16 114.58 118.27 1b5d h GLU 10 Ca 0.14 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b5d h GLU 10 Cb -0.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1b5d h GLU 10 CO -0.03 0.65 0.43 0.82 -1.00 0.00 0.00 179.01 179.89 1b5d h ILE 11 N 0.52 1.21 -0.42 3.13 1.08 -0.94 -2.11 117.51 119.98 1b5d h ILE 11 Ca 0.10 -0.46 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1b5d h ILE 11 Cb 0.47 0.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 1b5d h ILE 11 CO 0.03 0.22 0.20 0.03 -0.69 0.00 0.00 178.15 177.94 1b5d h ARG 12 N 0.99 0.40 -0.51 2.37 3.08 -0.69 -1.63 114.38 118.38 1b5d h ARG 12 Ca 0.26 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1b5d h ARG 12 Cb -0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1b5d h ARG 12 CO -0.05 0.26 0.33 1.25 -1.07 0.00 0.00 179.97 180.70 1b5d h LEU 13 N 0.41 0.56 -0.99 3.04 5.85 -1.18 -1.23 115.31 121.77 1b5d h LEU 13 Ca 0.18 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1b5d h LEU 13 Cb 0.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1b5d h LEU 13 CO -0.14 0.40 -0.35 0.45 -0.34 0.00 0.00 178.44 178.47 1b5d h HIS 14 N 0.67 0.34 -0.16 1.25 3.86 -1.21 -0.48 115.15 119.43 1b5d h HIS 14 Ca 0.19 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1b5d h HIS 14 Cb -0.04 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1b5d h HIS 14 CO -0.05 0.61 -0.48 -0.07 0.86 0.00 0.00 177.93 178.81 1b5d h LEU 15 N 0.26 0.44 -0.40 2.43 3.38 -1.01 -1.57 115.31 118.84 1b5d h LEU 15 Ca 0.03 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1b5d h LEU 15 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1b5d h LEU 15 CO 0.06 0.85 -0.43 1.23 0.09 0.00 0.00 178.44 180.24 1b5d h GLY 16 N 1.19 0.96 1.02 0.83 0.00 -0.86 -2.46 103.07 103.75 1b5d h GLY 16 Ca 0.02 -1.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 1b5d h GLY 16 CO 0.08 0.91 0.60 1.41 0.00 0.00 0.00 176.54 179.55 1b5d h LEU 17 N 0.70 1.15 -0.65 3.11 4.07 -0.99 -0.97 115.31 121.74 1b5d h LEU 17 Ca 0.05 -0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1b5d h LEU 17 Cb 1.02 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1b5d h LEU 17 CO 0.10 0.86 -0.01 0.00 -1.08 0.00 0.00 178.44 178.31 1b5d h ALA 18 N 1.34 0.86 -0.29 1.53 0.00 -1.13 -1.71 119.26 119.86 1b5d h ALA 18 Ca 0.35 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1b5d h ALA 18 Cb -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1b5d h ALA 18 CO -0.07 0.67 -0.53 1.25 0.00 0.00 0.00 179.25 180.56 1b5d h LEU 19 N 0.96 0.94 -1.23 0.00 5.85 -1.30 -0.85 115.31 119.68 1b5d h LEU 19 Ca 0.17 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1b5d h LEU 19 Cb 0.56 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1b5d h LEU 19 CO 0.03 1.29 0.54 0.50 -0.34 0.00 0.00 178.44 180.46 1b5d h LYS 20 N 0.65 0.93 -0.30 1.25 3.64 -0.93 -1.84 116.57 119.97 1b5d h LYS 20 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1b5d h LYS 20 Cb 1.13 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1b5d h LYS 20 CO 0.12 0.61 0.00 0.39 -2.27 0.00 0.00 179.45 178.30 1b5d n GLU 21 N -4.47 2.09 -3.88 1.90 1.02 -0.66 -4.94 120.64 111.69 1b5d n GLU 21 Ca 0.12 -1.65 -0.29 0.00 -0.02 0.00 0.00 57.16 55.32 1b5d n GLU 21 Cb 0.18 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1b5d n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1b5d n LYS 22 N 0.86 -5.76 -1.83 3.49 4.01 -0.69 -4.89 118.16 113.36 1b5d n LYS 22 Ca 0.17 0.62 -0.42 0.00 -0.51 0.00 0.00 58.31 58.18 1b5d n LYS 22 Cb 0.45 -5.52 -0.01 0.00 -0.51 0.00 0.00 35.03 29.43 1b5d n LYS 22 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1b5d n ASP 23 N -2.86 3.81 -4.87 4.39 -0.08 -0.36 -4.96 116.55 111.62 1b5d n ASP 23 Ca 0.03 -2.82 -0.33 0.00 -1.51 0.00 0.00 54.79 50.16 1b5d n ASP 23 Cb 0.53 -1.59 -0.05 0.00 2.34 0.00 0.00 41.12 42.35 1b5d n ASP 23 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1b5d s PHE 24 N 4.20 3.49 -0.03 -0.67 0.08 -1.26 -4.48 117.98 119.31 1b5d s PHE 24 Ca 0.52 0.81 0.02 0.00 0.12 0.00 0.00 56.93 58.40 1b5d s PHE 24 Cb 0.11 -2.20 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1b5d s PHE 24 CO -0.00 0.37 -0.08 0.08 -0.10 0.00 0.00 175.22 175.49 1b5d s VAL 25 N -1.66 0.72 -0.37 -0.44 1.01 0.61 -4.94 120.40 115.33 1b5d s VAL 25 Ca 0.42 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 1b5d s VAL 25 Cb -0.12 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1b5d s VAL 25 CO 0.21 0.23 0.99 -0.69 0.00 0.00 0.00 175.10 175.84 1b5d s VAL 26 N 0.27 4.52 0.95 2.92 1.01 -1.26 -0.44 120.40 128.36 1b5d s VAL 26 Ca -0.04 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 1b5d s VAL 26 Cb -0.09 -4.39 0.16 0.00 0.00 0.00 0.00 36.38 32.07 1b5d s VAL 26 CO 0.00 -0.59 1.10 -0.62 0.00 0.00 0.00 175.10 175.00 1b5d s ASP 27 N 1.91 2.76 0.55 3.32 2.15 0.22 -4.88 116.67 122.70 1b5d s ASP 27 Ca 0.41 1.88 0.27 0.00 0.43 0.00 0.00 52.55 55.54 1b5d s ASP 27 Cb -0.11 -2.44 1.58 0.00 -0.30 0.00 0.00 42.92 41.65 1b5d s ASP 27 CO 0.20 -3.15 2.14 0.07 -0.17 0.00 0.00 175.17 174.26 1b5d h LYS 28 N -1.90 0.00 0.00 4.34 2.10 -1.96 -0.26 116.57 118.89 1b5d h LYS 28 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1b5d h LYS 28 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1b5d h LYS 28 CO 0.47 0.07 0.00 0.25 -2.00 0.00 0.00 179.45 178.24 1b5d n THR 29 N -3.77 0.19 -0.04 0.07 -2.24 -1.26 -4.89 114.28 102.34 1b5d n THR 29 Ca -0.02 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1b5d n THR 29 Cb 0.17 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1b5d n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b5d n GLY 30 N 1.01 0.42 3.91 3.38 0.00 -0.11 -5.07 105.19 108.74 1b5d n GLY 30 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1b5d n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b5d s VAL 31 N -2.16 4.97 0.44 1.61 0.11 -1.26 -4.72 120.40 119.40 1b5d s VAL 31 Ca 0.00 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 1b5d s VAL 31 Cb 0.00 -3.83 -0.09 0.00 -1.53 0.00 0.00 36.38 30.93 1b5d s VAL 31 CO 0.00 -0.63 0.91 -0.54 -3.33 0.00 0.00 175.10 171.51 1b5d s LYS 32 N -4.30 4.05 0.03 1.54 1.02 -1.26 0.72 119.74 121.53 1b5d s LYS 32 Ca 0.45 0.93 -0.00 0.00 0.02 0.00 0.00 55.97 57.36 1b5d s LYS 32 Cb -0.10 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1b5d s LYS 32 CO 0.38 -0.09 -0.03 0.95 -0.92 0.00 0.00 175.35 175.64 1b5d s THR 33 N -2.33 0.13 0.29 2.17 -4.23 0.41 -1.35 115.64 110.73 1b5d s THR 33 Ca 0.59 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1b5d s THR 33 Cb -0.10 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 1b5d s THR 33 CO 0.22 -0.59 0.37 0.27 -0.54 0.00 0.00 174.62 174.35 1b5d s ILE 34 N -1.93 4.40 -0.28 2.99 -4.36 -0.93 -0.28 121.20 120.82 1b5d s ILE 34 Ca -0.12 -1.11 -0.23 0.00 -0.26 0.00 0.00 60.65 58.94 1b5d s ILE 34 Cb -0.07 -3.51 0.10 0.00 1.25 0.00 0.00 42.46 40.23 1b5d s ILE 34 CO -0.03 -0.24 0.87 -0.70 0.24 0.00 0.00 174.94 175.09 1b5d s GLU 35 N -4.04 0.63 -0.13 0.37 2.12 -1.26 -1.28 118.70 115.11 1b5d s GLU 35 Ca 0.39 0.83 -0.00 0.00 0.36 0.00 0.00 54.97 56.55 1b5d s GLU 35 Cb -0.09 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.55 1b5d s GLU 35 CO 0.29 -0.09 -0.12 0.42 -0.54 0.00 0.00 175.26 175.22 1b5d s ILE 36 N 0.62 3.13 -0.14 -3.70 1.01 0.53 -4.98 121.20 117.66 1b5d s ILE 36 Ca -0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 1b5d s ILE 36 Cb -0.05 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1b5d s ILE 36 CO -0.07 0.52 0.21 -0.63 0.00 0.00 0.00 174.94 174.97 1b5d s ILE 37 N 0.32 5.37 -1.02 2.92 -1.09 -1.26 -1.08 121.20 125.36 1b5d s ILE 37 Ca -0.10 0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.65 1b5d s ILE 37 Cb -0.16 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1b5d s ILE 37 CO 0.05 0.49 0.57 0.61 -1.23 0.00 0.00 174.94 175.44 1b5d n GLY 38 N 2.86 -0.12 3.76 6.18 0.00 0.29 -4.96 105.19 113.20 1b5d n GLY 38 Ca -0.16 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1b5d n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5d s ALA 39 N -3.07 3.59 -0.10 4.61 0.00 -0.20 -4.84 121.76 121.75 1b5d s ALA 39 Ca 0.28 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 1b5d s ALA 39 Cb -0.12 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.49 1b5d s ALA 39 CO 0.35 -0.80 0.20 0.45 0.00 0.00 0.00 175.76 175.96 1b5d s SER 40 N 0.02 0.51 0.07 0.00 0.15 -1.26 -0.51 113.70 112.68 1b5d s SER 40 Ca 0.55 0.43 -0.18 0.00 0.70 0.00 0.00 55.95 57.46 1b5d s SER 40 Cb -0.43 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1b5d s SER 40 CO 0.51 -0.23 0.42 0.72 1.20 0.00 0.00 173.24 175.86 1b5d s PHE 41 N 2.23 -0.27 -0.08 3.44 -0.71 -0.67 -4.01 117.98 117.91 1b5d s PHE 41 Ca 0.01 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 55.77 1b5d s PHE 41 Cb -0.12 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.92 1b5d s PHE 41 CO -0.07 -0.62 1.11 0.08 -1.34 0.00 0.00 175.22 174.38 1b5d s VAL 42 N -2.85 4.51 -1.26 -2.49 1.01 0.35 -0.37 120.40 119.30 1b5d s VAL 42 Ca -0.03 1.81 -0.19 0.00 0.00 0.00 0.00 61.98 63.57 1b5d s VAL 42 Cb -0.00 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1b5d s VAL 42 CO -0.05 -0.00 1.87 0.00 0.00 0.00 0.00 175.10 176.92 1b5d n ALA 43 N 5.12 3.38 0.47 5.51 0.00 -0.22 -3.86 120.51 130.90 1b5d n ALA 43 Ca 0.10 -3.61 0.10 0.00 0.00 0.00 0.00 53.44 50.03 1b5d n ALA 43 Cb 0.47 -3.57 0.26 0.00 0.00 0.00 0.00 19.45 16.62 1b5d n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1b5d n ASP 44 N 9.52 2.82 -3.98 0.00 5.75 -1.26 -4.71 116.55 124.69 1b5d n ASP 44 Ca 0.48 -1.94 -0.09 0.00 -0.01 0.00 0.00 54.79 53.23 1b5d n ASP 44 Cb 0.45 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 40.15 1b5d n ASP 44 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1b5d s GLU 45 N -1.43 0.35 0.00 0.11 2.02 -1.26 -4.99 118.70 113.50 1b5d s GLU 45 Ca 0.36 -0.64 0.31 0.00 0.02 0.00 0.00 54.97 55.02 1b5d s GLU 45 Cb 0.20 0.13 1.69 0.00 0.10 0.00 0.00 34.13 36.24 1b5d s GLU 45 CO 0.27 -0.06 2.10 -0.35 0.02 0.00 0.00 175.26 177.24 1b5d n PRO 46 N 1.46 1.16 -3.70 0.39 -0.04 -1.26 -4.84 135.00 128.17 1b5d n PRO 46 Ca -0.23 -0.23 -0.09 0.00 -0.04 0.00 0.00 63.50 62.91 1b5d n PRO 46 Cb 0.56 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1b5d n PRO 46 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1b5d s PHE 47 N -2.00 -0.28 -0.06 0.54 -0.71 -1.26 -4.50 117.98 109.70 1b5d s PHE 47 Ca 0.45 -0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.18 1b5d s PHE 47 Cb 0.22 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.59 1b5d s PHE 47 CO 0.36 -1.05 -0.19 -0.89 -1.34 0.00 0.00 175.22 172.11 1b5d n ILE 48 N -0.41 1.32 -4.26 -4.49 5.41 -1.26 -5.06 119.36 110.60 1b5d n ILE 48 Ca -0.09 0.22 -0.16 0.00 1.00 0.00 0.00 62.75 63.71 1b5d n ILE 48 Cb 0.62 -1.97 -0.10 0.00 -0.71 0.00 0.00 39.64 37.47 1b5d n ILE 48 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1b5d s PHE 49 N -2.47 1.39 0.00 1.39 0.08 -1.26 -4.93 117.98 112.18 1b5d s PHE 49 Ca -0.16 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.24 1b5d s PHE 49 Cb 0.03 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 1b5d s PHE 49 CO 0.23 0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.92 1b5d n GLY 50 N 0.06 -2.67 3.59 4.36 0.00 0.25 -4.69 105.19 106.08 1b5d n GLY 50 Ca -0.12 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 1b5d n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5d s ALA 51 N -1.46 3.00 -0.21 4.61 0.00 -1.26 -4.63 121.76 121.80 1b5d s ALA 51 Ca 0.00 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1b5d s ALA 51 Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1b5d s ALA 51 CO 0.00 0.60 1.04 -0.51 0.00 0.00 0.00 175.76 176.89 1b5d s LEU 52 N -2.40 4.12 -0.76 0.00 1.43 -1.26 -5.00 118.68 114.81 1b5d s LEU 52 Ca 0.23 1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1b5d s LEU 52 Cb -0.11 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.76 1b5d s LEU 52 CO 0.15 -0.64 0.61 0.21 0.23 0.00 0.00 176.35 176.91 1b5d s ASN 53 N 1.20 5.64 0.57 2.29 3.04 -1.26 -4.93 114.94 121.49 1b5d s ASN 53 Ca 0.45 -3.28 0.32 0.00 0.04 0.00 0.00 52.86 50.38 1b5d s ASN 53 Cb -0.15 -1.89 1.72 0.00 -1.54 0.00 0.00 41.25 39.39 1b5d s ASN 53 CO 0.08 -0.28 2.17 0.44 -3.04 0.00 0.00 177.10 176.46 1b5d h ASP 54 N 6.54 0.00 -0.09 -4.21 3.32 -2.00 -2.28 116.42 117.71 1b5d h ASP 54 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1b5d h ASP 54 Cb 0.89 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1b5d h ASP 54 CO 0.78 0.06 0.03 -0.08 -1.72 0.00 0.00 179.24 178.30 1b5d h GLU 55 N 0.00 0.14 -0.12 3.56 4.22 -2.00 -2.33 114.58 118.05 1b5d h GLU 55 Ca -0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 1b5d h GLU 55 Cb 0.20 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1b5d h GLU 55 CO 0.01 0.31 0.00 -0.92 -2.18 0.00 0.00 179.01 176.23 1b5d h TYR 56 N -0.05 0.22 -0.97 0.92 3.20 -1.85 -2.88 116.97 115.56 1b5d h TYR 56 Ca 0.03 -0.04 0.18 0.00 3.14 0.00 0.00 58.73 62.04 1b5d h TYR 56 Cb 0.23 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.35 1b5d h TYR 56 CO 0.00 0.45 0.61 0.82 -1.64 0.00 0.00 178.16 178.40 1b5d h ILE 57 N -0.07 0.73 -0.24 1.81 2.04 -1.55 -0.99 117.51 119.25 1b5d h ILE 57 Ca 0.03 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1b5d h ILE 57 Cb 0.36 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1b5d h ILE 57 CO 0.01 0.13 -0.46 -0.61 0.00 0.00 0.00 178.15 177.21 1b5d h GLN 58 N 0.69 0.62 -0.42 2.37 5.75 -1.30 0.20 115.11 123.02 1b5d h GLN 58 Ca 0.53 -0.35 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 1b5d h GLN 58 Cb 0.91 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 1b5d h GLN 58 CO -0.30 0.95 -0.03 0.00 -2.65 0.00 0.00 178.83 176.81 1b5d h ARG 59 N 0.49 0.70 -0.03 1.69 3.08 -1.02 -1.94 114.38 117.35 1b5d h ARG 59 Ca 0.03 -0.19 -0.21 0.00 0.07 0.00 0.00 59.98 59.69 1b5d h ARG 59 Cb 1.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1b5d h ARG 59 CO 0.09 0.73 -0.85 1.49 -1.07 0.00 0.00 179.97 180.36 1b5d h GLU 60 N 0.65 0.37 -0.86 0.04 4.81 -0.94 -2.52 114.58 116.13 1b5d h GLU 60 Ca 0.13 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1b5d h GLU 60 Cb 0.45 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1b5d h GLU 60 CO 0.02 1.03 0.57 1.25 -0.73 0.00 0.00 179.01 181.15 1b5d h LEU 61 N 0.22 0.98 -0.76 1.64 5.85 -0.74 -0.51 115.31 122.00 1b5d h LEU 61 Ca -0.06 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1b5d h LEU 61 Cb 1.47 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1b5d h LEU 61 CO 0.14 0.71 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.44 1b5d h GLU 62 N 1.16 0.74 -0.54 1.25 4.39 -1.22 -0.65 114.58 119.71 1b5d h GLU 62 Ca 0.32 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1b5d h GLU 62 Cb -0.12 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1b5d h GLU 62 CO -0.07 0.88 0.13 2.35 -1.16 0.00 0.00 179.01 181.13 1b5d h TRP 63 N 0.66 0.90 -0.77 4.33 7.01 -1.17 -1.90 115.95 125.02 1b5d h TRP 63 Ca 0.10 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1b5d h TRP 63 Cb 0.68 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 1b5d h TRP 63 CO 0.03 0.79 0.51 1.88 -2.79 0.00 0.00 178.44 178.86 1b5d h TYR 64 N 0.76 0.96 -0.66 2.65 0.05 -0.72 -2.52 116.97 117.48 1b5d h TYR 64 Ca 0.17 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1b5d h TYR 64 Cb 0.34 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1b5d h TYR 64 CO 0.02 0.60 0.31 0.87 -1.05 0.00 0.00 178.16 178.91 1b5d h LYS 65 N 1.03 0.94 0.00 4.88 1.57 -0.89 -1.13 116.57 122.96 1b5d h LYS 65 Ca 0.28 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1b5d h LYS 65 Cb -0.11 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1b5d h LYS 65 CO -0.07 0.73 -0.05 0.66 -0.57 0.00 0.00 179.45 180.15 1b5d h SER 66 N 0.93 0.00 -0.44 0.86 4.64 -0.94 -3.47 113.55 115.14 1b5d h SER 66 Ca 0.23 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 1b5d h SER 66 Cb 0.10 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 1b5d h SER 66 CO -0.03 0.05 -0.17 0.29 -0.87 0.00 0.00 176.83 176.10 1b5d n LYS 67 N -3.20 -1.19 -2.57 4.77 5.02 -0.43 -4.96 118.16 115.60 1b5d n LYS 67 Ca -0.00 0.77 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 1b5d n LYS 67 Cb 0.30 -4.88 -0.05 0.00 -0.02 0.00 0.00 35.03 30.38 1b5d n LYS 67 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1b5d s SER 68 N -2.51 7.37 -0.14 4.39 0.15 -1.25 -4.47 113.70 117.23 1b5d s SER 68 Ca 0.00 2.11 0.15 0.00 0.70 0.00 0.00 55.95 58.92 1b5d s SER 68 Cb 0.00 -2.61 0.69 0.00 -1.71 0.00 0.00 66.02 62.39 1b5d s SER 68 CO 0.00 -0.09 1.59 0.18 1.20 0.00 0.00 173.24 176.12 1b5d n LEU 69 N 1.70 4.72 -4.32 3.45 4.77 -1.26 -4.79 117.00 121.26 1b5d n LEU 69 Ca -0.00 -2.39 -0.33 0.00 -0.03 0.00 0.00 56.01 53.26 1b5d n LEU 69 Cb 0.46 -0.59 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1b5d n LEU 69 CO 0.53 0.70 -0.46 -0.36 -1.33 0.00 0.00 177.39 176.47 1b5d s PHE 70 N -2.07 2.79 0.10 -1.77 0.40 -1.26 -0.35 117.98 115.82 1b5d s PHE 70 Ca 0.48 -0.81 0.34 0.00 -0.60 0.00 0.00 56.93 56.34 1b5d s PHE 70 Cb 0.33 -1.86 1.42 0.00 0.51 0.00 0.00 43.02 43.42 1b5d s PHE 70 CO 0.20 -0.32 1.99 -0.39 0.70 0.00 0.00 175.22 177.40 1b5d h VAL 71 N 5.52 0.00 0.00 -0.44 -1.51 -1.52 -2.54 116.25 115.76 1b5d h VAL 71 Ca -0.28 -0.44 -0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1b5d h VAL 71 Cb 1.21 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1b5d h VAL 71 CO 0.56 0.00 -0.01 0.50 -1.23 0.00 0.00 177.57 177.39 1b5d h LYS 72 N 0.00 0.00 0.00 5.19 3.64 -1.95 -2.46 116.57 120.99 1b5d h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b5d h LYS 72 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1b5d h LYS 72 CO 0.00 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 176.94 1b5d n ASP 73 N -3.11 0.00 -4.69 4.20 8.00 -0.96 -4.71 116.55 115.28 1b5d n ASP 73 Ca -0.00 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.71 1b5d n ASP 73 Cb 0.27 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1b5d n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b5d s ILE 74 N -2.42 2.85 0.20 0.53 1.01 -0.93 -4.74 121.20 117.70 1b5d s ILE 74 Ca 0.33 0.35 -0.33 0.00 0.00 0.00 0.00 60.65 61.01 1b5d s ILE 74 Cb 0.20 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 39.31 1b5d s ILE 74 CO 0.43 0.00 1.41 -2.65 0.00 0.00 0.00 174.94 174.13 1b5d n PRO 75 N 5.51 1.86 0.00 2.79 -0.02 -1.26 -4.65 135.00 139.23 1b5d n PRO 75 Ca 0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1b5d n PRO 75 Cb 0.40 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1b5d n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b5d n GLY 76 N 2.47 -0.48 3.69 -1.23 0.00 -1.26 -4.74 105.19 103.64 1b5d n GLY 76 Ca 0.14 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1b5d n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b5d s GLU 77 N 0.00 4.40 0.04 1.61 2.12 -1.26 -5.00 118.70 120.61 1b5d s GLU 77 Ca 0.00 1.52 -0.31 0.00 0.36 0.00 0.00 54.97 56.55 1b5d s GLU 77 Cb 0.00 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.79 1b5d s GLU 77 CO 0.00 -0.35 1.46 0.99 -0.54 0.00 0.00 175.26 176.82 1b5d s THR 78 N 2.00 3.46 0.29 -1.70 2.01 -1.26 -4.97 115.64 115.47 1b5d s THR 78 Ca 0.52 0.91 -0.29 0.00 0.31 0.00 0.00 61.69 63.15 1b5d s THR 78 Cb -0.21 -3.59 -0.14 0.00 0.01 0.00 0.00 72.50 68.57 1b5d s THR 78 CO 0.21 0.01 1.09 -2.65 -0.69 0.00 0.00 174.62 172.58 1b5d n PRO 79 N 5.12 1.50 0.24 4.92 -0.02 -1.26 -4.85 135.00 140.65 1b5d n PRO 79 Ca 0.13 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1b5d n PRO 79 Cb 0.43 -1.95 0.57 0.00 -0.02 0.00 0.00 33.50 32.52 1b5d n PRO 79 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1b5d h LYS 80 N 2.29 0.00 -0.30 -0.52 2.10 -1.99 -1.57 116.57 116.58 1b5d h LYS 80 Ca -0.41 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1b5d h LYS 80 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 1b5d h LYS 80 CO 0.62 0.12 0.18 -0.84 -2.00 0.00 0.00 179.45 177.53 1b5d h ILE 81 N 0.00 1.09 0.00 0.07 3.07 -2.00 -0.36 117.51 119.38 1b5d h ILE 81 Ca -0.00 -0.20 -0.18 0.00 1.55 0.00 0.00 64.86 66.03 1b5d h ILE 81 Cb 0.22 0.67 -0.03 0.00 -0.27 0.00 0.00 36.82 37.42 1b5d h ILE 81 CO 0.02 0.09 -0.87 -0.50 -1.05 0.00 0.00 178.15 175.84 1b5d h TRP 82 N 0.41 0.00 -0.28 0.16 4.06 -1.66 -3.26 115.95 115.37 1b5d h TRP 82 Ca 0.11 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.87 1b5d h TRP 82 Cb -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1b5d h TRP 82 CO 0.00 0.83 -0.57 1.96 -3.56 0.00 0.00 178.44 177.11 1b5d h GLN 83 N 0.00 0.88 0.00 0.49 4.20 -0.79 -3.06 115.11 116.83 1b5d h GLN 83 Ca -0.02 -0.57 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 1b5d h GLN 83 Cb 1.65 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.50 1b5d h GLN 83 CO 0.11 1.20 -0.05 -0.56 -0.67 0.00 0.00 178.83 178.86 1b5d h GLN 84 N 0.67 0.00 -0.00 1.46 3.07 -1.21 -3.10 115.11 116.00 1b5d h GLN 84 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1b5d h GLN 84 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1b5d h GLN 84 CO 0.13 0.05 -0.66 0.28 0.09 0.00 0.00 178.83 178.71 1b5d n VAL 85 N -3.13 0.00 -2.45 1.86 0.31 -1.22 -4.79 118.33 108.90 1b5d n VAL 85 Ca 0.02 -0.07 -0.28 0.00 -0.01 0.00 0.00 64.34 64.00 1b5d n VAL 85 Cb 0.43 0.76 0.01 0.00 -0.91 0.00 0.00 33.84 34.12 1b5d n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b5d s ALA 86 N -2.84 3.33 1.06 3.52 0.00 -1.16 -1.02 121.76 124.65 1b5d s ALA 86 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 1b5d s ALA 86 Cb 0.17 -2.69 0.10 0.00 0.00 0.00 0.00 23.12 20.71 1b5d s ALA 86 CO 0.72 -0.49 0.42 -1.13 0.00 0.00 0.00 175.76 175.28 1b5d n SER 87 N -2.41 -0.89 0.03 0.00 3.41 0.34 -4.30 113.62 109.81 1b5d n SER 87 Ca 0.02 -0.89 0.11 0.00 -0.26 0.00 0.00 58.87 57.85 1b5d n SER 87 Cb 0.55 -0.36 0.48 0.00 -0.26 0.00 0.00 64.21 64.62 1b5d n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b5d n SER 88 N -3.54 0.20 -0.62 4.04 3.41 -0.93 -2.25 113.62 113.91 1b5d n SER 88 Ca 0.06 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 1b5d n SER 88 Cb 0.21 -0.58 0.11 0.00 -0.26 0.00 0.00 64.21 63.69 1b5d n SER 88 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b5d n LYS 89 N -1.70 1.67 -0.55 4.33 5.02 -1.26 -4.97 118.16 120.70 1b5d n LYS 89 Ca 0.05 -1.65 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 1b5d n LYS 89 Cb 0.29 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1b5d n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b5d n GLY 90 N 0.72 0.68 3.89 0.72 0.00 -0.96 -4.99 105.19 105.26 1b5d n GLY 90 Ca 0.10 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1b5d n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b5d s GLU 91 N -0.90 3.70 0.12 1.61 2.12 -1.26 -1.27 118.70 122.83 1b5d s GLU 91 Ca 0.00 0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1b5d s GLU 91 Cb 0.00 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.65 1b5d s GLU 91 CO 0.00 0.36 0.07 0.44 -0.54 0.00 0.00 175.26 175.59 1b5d n ILE 92 N -0.16 0.00 -0.05 -3.70 -6.64 0.53 -0.51 119.36 108.83 1b5d n ILE 92 Ca -0.01 -0.77 -0.07 0.00 -1.77 0.00 0.00 62.75 60.13 1b5d n ILE 92 Cb 0.52 0.33 -0.05 0.00 -1.44 0.00 0.00 39.64 39.00 1b5d n ILE 92 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1b5d n ASN 93 N -2.26 3.10 -2.45 7.28 3.02 -1.26 -4.86 115.26 117.82 1b5d n ASN 93 Ca 0.00 -0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.25 1b5d n ASN 93 Cb 0.19 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1b5d n ASN 93 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1b5d n SER 94 N -2.74 6.35 -4.57 6.41 7.64 -1.26 -4.83 113.62 120.63 1b5d n SER 94 Ca -0.18 -3.10 -0.43 0.00 1.01 0.00 0.00 58.87 56.17 1b5d n SER 94 Cb 0.72 -1.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.61 1b5d n SER 94 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1b5d s ASN 95 N 0.60 6.50 0.50 6.43 3.84 -1.26 -4.94 114.94 126.61 1b5d s ASN 95 Ca 0.60 0.17 0.29 0.00 0.21 0.00 0.00 52.86 54.13 1b5d s ASN 95 Cb 0.37 -2.41 1.01 0.00 -0.55 0.00 0.00 41.25 39.67 1b5d s ASN 95 CO -0.19 -0.87 1.85 1.88 -2.79 0.00 0.00 177.10 176.99 1b5d h TYR 96 N 8.77 0.00 -0.09 0.43 0.05 -1.90 -2.17 116.97 122.06 1b5d h TYR 96 Ca -0.24 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.50 1b5d h TYR 96 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1b5d h TYR 96 CO 0.81 0.03 -0.07 0.78 -1.05 0.00 0.00 178.16 178.67 1b5d h GLY 97 N 2.64 0.23 0.24 3.88 0.00 -1.90 -2.36 103.07 105.79 1b5d h GLY 97 Ca -0.00 -0.22 0.13 0.00 0.00 0.00 0.00 47.33 47.24 1b5d h GLY 97 CO 0.00 0.20 0.35 -0.25 0.00 0.00 0.00 176.54 176.84 1b5d h TRP 98 N -0.18 0.60 -0.81 5.60 7.01 -1.64 0.11 115.95 126.64 1b5d h TRP 98 Ca 0.02 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1b5d h TRP 98 Cb 0.55 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 1b5d h TRP 98 CO 0.08 0.13 0.54 0.00 -2.79 0.00 0.00 178.44 176.40 1b5d h ALA 99 N 1.52 1.03 0.00 2.65 0.00 -1.19 -1.85 119.26 121.43 1b5d h ALA 99 Ca 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1b5d h ALA 99 Cb 0.57 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b5d h ALA 99 CO -0.36 0.44 -1.77 0.44 0.00 0.00 0.00 179.25 178.00 1b5d n ILE 100 N -4.52 0.00 0.16 0.00 -5.35 -0.91 -4.52 119.36 104.21 1b5d n ILE 100 Ca 0.08 -0.39 0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1b5d n ILE 100 Cb 0.02 0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.09 1b5d n ILE 100 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1b5d n TRP 101 N -2.08 0.00 -2.51 4.28 8.01 0.37 -0.82 117.44 124.68 1b5d n TRP 101 Ca -0.02 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.78 1b5d n TRP 101 Cb 0.51 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.31 29.68 1b5d n TRP 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1b5d s SER 102 N -2.22 7.05 0.51 -0.99 0.15 -0.70 -4.86 113.70 112.64 1b5d s SER 102 Ca -0.00 2.16 0.30 0.00 0.70 0.00 0.00 55.95 59.11 1b5d s SER 102 Cb 0.05 -2.61 1.04 0.00 -1.71 0.00 0.00 66.02 62.79 1b5d s SER 102 CO 0.28 -0.29 1.86 1.05 1.20 0.00 0.00 173.24 177.35 1b5d h GLU 103 N 3.25 0.00 0.00 5.44 -0.00 -1.95 -2.51 114.58 118.81 1b5d h GLU 103 Ca -0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 58.84 1b5d h GLU 103 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.96 1b5d h GLU 103 CO 0.65 0.01 -0.22 -0.44 -0.00 0.00 0.00 179.01 179.01 1b5d h ASP 104 N 0.00 0.00 -0.62 3.06 3.32 -1.92 -2.11 116.42 118.15 1b5d h ASP 104 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1b5d h ASP 104 Cb 0.67 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.09 1b5d h ASP 104 CO 0.00 0.22 0.22 -3.20 -1.72 0.00 0.00 179.24 174.76 1b5d n ASN 105 N -4.20 4.00 -2.18 6.45 5.15 -1.10 -4.96 115.26 118.42 1b5d n ASN 105 Ca -0.02 -3.38 -0.15 0.00 -0.60 0.00 0.00 54.58 50.43 1b5d n ASN 105 Cb 0.28 -0.71 0.03 0.00 -0.53 0.00 0.00 39.78 38.86 1b5d n ASN 105 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1b5d n TYR 106 N -0.59 -1.45 -3.55 1.20 4.01 -0.79 -4.26 117.16 111.73 1b5d n TYR 106 Ca 0.39 0.43 -0.23 0.00 -0.16 0.00 0.00 57.90 58.34 1b5d n TYR 106 Cb 1.28 -3.38 0.05 0.00 -0.31 0.00 0.00 39.34 36.98 1b5d n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b5d n ALA 107 N -3.29 -2.34 -0.15 -0.72 0.00 -0.96 -4.84 120.51 108.21 1b5d n ALA 107 Ca -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1b5d n ALA 107 Cb 0.57 -3.89 -0.01 0.00 0.00 0.00 0.00 19.45 16.13 1b5d n ALA 107 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1b5d h GLN 108 N -1.64 0.71 0.37 0.00 1.08 -1.70 -1.10 115.11 112.82 1b5d h GLN 108 Ca -0.63 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 56.37 1b5d h GLN 108 Cb 1.34 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1b5d h GLN 108 CO 0.50 0.74 -0.18 -0.92 -0.95 0.00 0.00 178.83 178.02 1b5d h TYR 109 N 0.57 -0.46 -0.83 2.96 3.20 -1.31 -1.91 116.97 119.21 1b5d h TYR 109 Ca 0.13 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1b5d h TYR 109 Cb 0.37 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1b5d h TYR 109 CO 0.02 -0.21 0.46 -0.44 -1.64 0.00 0.00 178.16 176.36 1b5d h ASP 110 N -0.62 1.01 0.14 -2.11 3.32 -1.77 -0.59 116.42 115.81 1b5d h ASP 110 Ca -0.05 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 1b5d h ASP 110 Cb 0.45 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1b5d h ASP 110 CO 0.08 0.81 -0.73 0.24 -1.72 0.00 0.00 179.24 177.92 1b5d h MET 111 N 1.15 0.51 -0.53 3.56 2.86 -1.16 -0.81 114.93 120.51 1b5d h MET 111 Ca 0.29 -0.41 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1b5d h MET 111 Cb 0.00 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1b5d h MET 111 CO -0.05 1.04 -0.10 0.00 1.06 0.00 0.00 176.91 178.86 1b5d h LEU 113 N 0.87 0.19 -0.56 0.00 5.85 -1.00 -1.41 115.31 119.25 1b5d h LEU 113 Ca 0.14 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1b5d h LEU 113 Cb 0.66 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1b5d h LEU 113 CO 0.05 0.14 0.27 0.00 -0.34 0.00 0.00 178.44 178.55 1b5d h ALA 114 N 1.08 0.72 0.07 1.25 0.00 -1.09 0.21 119.26 121.50 1b5d h ALA 114 Ca 0.07 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1b5d h ALA 114 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1b5d h ALA 114 CO -0.03 0.29 -0.21 1.49 0.00 0.00 0.00 179.25 180.80 1b5d h GLU 115 N 0.76 -0.35 0.00 0.00 4.57 -1.09 -1.62 114.58 116.85 1b5d h GLU 115 Ca 0.19 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1b5d h GLU 115 Cb 0.12 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1b5d h GLU 115 CO -0.02 -0.24 -0.31 -0.07 -1.18 0.00 0.00 179.01 177.19 1b5d h LEU 116 N -0.37 0.00 -0.90 1.64 3.38 -1.02 -0.96 115.31 117.08 1b5d h LEU 116 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1b5d h LEU 116 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1b5d h LEU 116 CO -0.14 0.31 -0.45 1.23 0.09 0.00 0.00 178.44 179.48 1b5d h GLY 117 N 2.17 0.24 0.82 0.83 0.00 -0.22 -3.07 103.07 103.85 1b5d h GLY 117 Ca -0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 47.33 46.73 1b5d h GLY 117 CO 0.04 0.22 -1.83 -1.61 0.00 0.00 0.00 176.54 173.36 1b5d h GLN 118 N 0.18 0.34 -2.98 4.80 4.15 -1.01 -3.44 115.11 117.17 1b5d h GLN 118 Ca 0.01 -0.59 -0.54 0.00 0.77 0.00 0.00 58.65 58.31 1b5d h GLN 118 Cb 0.87 0.22 -0.40 0.00 0.21 0.00 0.00 27.48 28.38 1b5d h GLN 118 CO 0.07 1.27 -0.77 1.21 -1.93 0.00 0.00 178.83 178.68 1b5d s ASN 119 N -7.19 3.63 0.55 -0.69 3.04 -0.39 -5.02 114.94 108.87 1b5d s ASN 119 Ca -0.18 -1.36 0.24 0.00 0.04 0.00 0.00 52.86 51.60 1b5d s ASN 119 Cb 0.06 -0.47 1.44 0.00 -1.54 0.00 0.00 41.25 40.74 1b5d s ASN 119 CO 0.82 -0.43 2.07 -0.65 -3.04 0.00 0.00 177.10 175.87 1b5d h PRO 120 N 8.33 0.00 -0.02 0.43 0.11 -1.79 -1.52 132.00 137.55 1b5d h PRO 120 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1b5d h PRO 120 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1b5d h PRO 120 CO 0.44 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.98 1b5d n ASP 121 N -4.25 1.05 -4.70 -2.05 8.00 -1.26 -4.04 116.55 109.29 1b5d n ASP 121 Ca 0.04 -1.36 -0.42 0.00 0.71 0.00 0.00 54.79 53.76 1b5d n ASP 121 Cb 0.39 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1b5d n ASP 121 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1b5d n SER 122 N -0.18 2.74 -0.74 -2.24 2.88 -0.57 -4.91 113.62 110.59 1b5d n SER 122 Ca 0.20 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 59.05 1b5d n SER 122 Cb 0.28 -1.49 0.33 0.00 -0.75 0.00 0.00 64.21 62.57 1b5d n SER 122 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1b5d n ARG 123 N 0.44 1.99 -0.49 -1.46 1.74 -1.26 -4.23 116.66 113.39 1b5d n ARG 123 Ca 0.05 -1.47 0.08 0.00 -0.77 0.00 0.00 57.85 55.74 1b5d n ARG 123 Cb 0.37 -1.45 0.29 0.00 -1.02 0.00 0.00 32.46 30.65 1b5d n ARG 123 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1b5d n ARG 124 N 0.72 3.41 -2.65 5.56 1.74 -1.26 -4.87 116.66 119.31 1b5d n ARG 124 Ca 0.17 -2.71 -0.42 0.00 -0.77 0.00 0.00 57.85 54.13 1b5d n ARG 124 Cb 0.44 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1b5d n ARG 124 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1b5d s GLY 125 N -1.18 1.16 -0.08 -0.13 0.00 -1.26 -4.95 107.32 100.88 1b5d s GLY 125 Ca 0.43 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.24 1b5d s GLY 125 CO 0.18 2.47 0.29 -1.50 0.00 0.00 0.00 173.10 174.55 1b5d s ILE 126 N 4.94 0.02 -0.24 0.90 2.07 -1.26 -0.62 121.20 127.00 1b5d s ILE 126 Ca 0.34 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.38 1b5d s ILE 126 Cb -0.08 -0.47 0.01 0.00 0.13 0.00 0.00 42.46 42.05 1b5d s ILE 126 CO 0.06 -0.09 -0.03 -0.04 -1.91 0.00 0.00 174.94 172.93 1b5d s MET 127 N -0.32 3.14 -0.43 3.50 -1.94 0.10 -4.57 119.30 118.78 1b5d s MET 127 Ca -0.04 -0.79 -0.15 0.00 -1.71 0.00 0.00 55.69 52.99 1b5d s MET 127 Cb -0.03 -3.05 0.03 0.00 2.01 0.00 0.00 34.83 33.79 1b5d s MET 127 CO 0.01 -0.31 0.34 0.42 -0.01 0.00 0.00 175.02 175.48 1b5d s ILE 128 N 1.43 5.23 -0.14 2.53 1.01 -1.26 -1.01 121.20 128.98 1b5d s ILE 128 Ca 0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1b5d s ILE 128 Cb -0.15 -3.99 -0.19 0.00 0.01 0.00 0.00 42.46 38.13 1b5d s ILE 128 CO -0.03 -0.39 0.51 1.88 0.00 0.00 0.00 174.94 176.90 1b5d h TYR 129 N 8.68 0.00 -4.38 3.97 -1.99 -1.51 -3.48 116.97 118.27 1b5d h TYR 129 Ca -0.27 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 59.99 1b5d h TYR 129 Cb 1.12 0.00 0.10 0.00 2.00 0.00 0.00 36.73 39.95 1b5d h TYR 129 CO 0.58 0.85 0.37 -0.08 -0.00 0.00 0.00 178.16 179.88 1b5d s THR 130 N -2.12 2.05 0.00 -2.88 -1.32 -1.04 -4.97 115.64 105.36 1b5d s THR 130 Ca -0.17 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.14 1b5d s THR 130 Cb -0.01 -3.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.00 1b5d s THR 130 CO 0.53 0.00 0.24 0.00 -2.21 0.00 0.00 174.62 173.18 1b5d s ARG 131 N -5.54 0.63 0.39 7.08 1.70 -1.26 -5.06 118.95 116.89 1b5d s ARG 131 Ca 0.63 -0.34 0.12 0.00 -0.47 0.00 0.00 55.73 55.66 1b5d s ARG 131 Cb -0.10 0.27 0.93 0.00 -0.57 0.00 0.00 34.95 35.48 1b5d s ARG 131 CO 0.48 -0.17 1.89 -1.35 -1.08 0.00 0.00 175.30 175.08 1b5d h PRO 132 N 3.88 0.54 0.00 3.89 0.11 -2.04 -0.19 132.00 138.19 1b5d h PRO 132 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1b5d h PRO 132 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1b5d h PRO 132 CO 0.42 0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 1b5d n SER 133 N -4.52 0.00 0.32 -2.05 3.41 -1.26 -2.79 113.62 106.73 1b5d n SER 133 Ca 0.16 -0.15 0.20 0.00 -0.26 0.00 0.00 58.87 58.82 1b5d n SER 133 Cb 0.50 -0.18 1.10 0.00 -0.26 0.00 0.00 64.21 65.36 1b5d n SER 133 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1b5d h MET 134 N 0.00 0.00 -0.02 4.33 -1.53 -1.43 0.84 114.93 117.12 1b5d h MET 134 Ca 0.00 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.27 1b5d h MET 134 Cb 0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.14 1b5d h MET 134 CO 0.00 0.00 0.02 1.96 0.14 0.00 0.00 176.91 179.03 1b5d h GLN 135 N 0.00 0.00 0.00 0.39 1.08 -1.75 -2.80 115.11 112.04 1b5d h GLN 135 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1b5d h GLN 135 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1b5d h GLN 135 CO -0.00 0.00 -1.43 1.19 -0.95 0.00 0.00 178.83 177.64 1b5d n PHE 136 N -4.19 0.00 0.17 2.96 3.72 -0.02 -4.72 117.46 115.38 1b5d n PHE 136 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 1b5d n PHE 136 Cb 0.11 -0.26 0.08 0.00 -0.94 0.00 0.00 39.48 38.47 1b5d n PHE 136 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1b5d h ASP 137 N 0.00 0.00 0.04 4.37 3.32 -0.78 -3.37 116.42 120.00 1b5d h ASP 137 Ca -0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1b5d h ASP 137 Cb 0.82 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1b5d h ASP 137 CO 0.00 0.31 -0.01 0.10 -1.72 0.00 0.00 179.24 177.93 1b5d h TYR 138 N 0.00 0.00 0.00 4.55 -0.00 -1.71 -2.22 116.97 117.60 1b5d h TYR 138 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.68 1b5d h TYR 138 Cb 1.24 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.87 1b5d h TYR 138 CO 0.00 0.01 -0.55 0.27 -0.00 0.00 0.00 178.16 177.88 1b5d n ASN 139 N -3.53 1.53 -4.67 0.10 6.94 -1.25 -0.62 115.26 113.76 1b5d n ASN 139 Ca -0.03 -3.22 -0.46 0.00 -0.02 0.00 0.00 54.58 50.85 1b5d n ASN 139 Cb 0.09 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 37.03 1b5d n ASN 139 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1b5d n LYS 140 N -0.72 2.13 -1.79 -3.83 4.81 -0.84 -1.49 118.16 116.44 1b5d n LYS 140 Ca 0.14 0.77 -0.14 0.00 -0.87 0.00 0.00 58.31 58.21 1b5d n LYS 140 Cb 0.79 -2.51 -0.04 0.00 0.02 0.00 0.00 35.03 33.29 1b5d n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1b5d n ASP 141 N 3.13 -3.95 0.00 3.14 8.00 -1.26 -1.76 116.55 123.85 1b5d n ASP 141 Ca 0.16 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1b5d n ASP 141 Cb 0.29 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1b5d n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b5d n GLY 142 N -0.48 0.67 3.79 0.44 0.00 -0.55 -2.20 105.19 106.86 1b5d n GLY 142 Ca -0.15 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1b5d n GLY 142 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1b5d s MET 143 N -0.57 2.36 -0.52 1.61 0.23 -0.72 -4.60 119.30 117.09 1b5d s MET 143 Ca 0.00 0.88 0.04 0.00 -1.03 0.00 0.00 55.69 55.58 1b5d s MET 143 Cb 0.00 -1.93 0.16 0.00 -1.53 0.00 0.00 34.83 31.53 1b5d s MET 143 CO 0.00 -1.49 0.35 0.45 -2.03 0.00 0.00 175.02 172.30 1b5d s SER 144 N -3.71 3.35 -0.42 -1.18 0.15 -0.19 -3.95 113.70 107.76 1b5d s SER 144 Ca 0.60 -3.16 0.05 0.00 0.70 0.00 0.00 55.95 54.13 1b5d s SER 144 Cb -0.15 -1.05 0.17 0.00 -1.71 0.00 0.00 66.02 63.28 1b5d s SER 144 CO 0.55 -0.18 0.48 -0.62 1.20 0.00 0.00 173.24 174.68 1b5d s ASP 145 N -0.33 0.30 -0.37 5.45 2.15 0.21 -4.82 116.67 119.26 1b5d s ASP 145 Ca 0.25 -1.93 -0.18 0.00 0.43 0.00 0.00 52.55 51.11 1b5d s ASP 145 Cb -0.09 0.79 0.00 0.00 -0.30 0.00 0.00 42.92 43.32 1b5d s ASP 145 CO -0.11 -0.17 0.51 0.12 -0.17 0.00 0.00 175.17 175.35 1b5d s PHE 146 N 0.97 3.16 -0.43 -5.34 2.19 -1.26 -4.41 117.98 112.86 1b5d s PHE 146 Ca 0.24 0.05 -0.45 0.00 0.33 0.00 0.00 56.93 57.10 1b5d s PHE 146 Cb -0.06 -2.98 -0.19 0.00 -1.31 0.00 0.00 43.02 38.49 1b5d s PHE 146 CO -0.08 -0.61 1.60 -0.12 1.83 0.00 0.00 175.22 177.84 1b5d n MET 147 N 5.79 0.23 0.04 10.12 0.00 -1.26 -4.88 117.12 127.15 1b5d n MET 147 Ca -0.05 0.08 -0.06 0.00 -0.00 0.00 0.00 57.70 57.67 1b5d n MET 147 Cb 0.48 -1.62 -0.11 0.00 0.00 0.00 0.00 33.22 31.97 1b5d n MET 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b5d s THR 149 N -2.71 5.17 -0.11 0.00 2.01 -1.26 -0.04 115.64 118.70 1b5d s THR 149 Ca -0.01 0.92 -0.07 0.00 0.31 0.00 0.00 61.69 62.84 1b5d s THR 149 Cb 0.09 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1b5d s THR 149 CO 0.81 0.27 -0.14 0.59 -0.69 0.00 0.00 174.62 175.47 1b5d n ASN 150 N 4.09 1.39 -3.82 3.53 3.02 0.20 -3.75 115.26 119.92 1b5d n ASN 150 Ca -0.07 0.53 -0.11 0.00 -0.03 0.00 0.00 54.58 54.91 1b5d n ASN 150 Cb 0.51 -0.78 -0.08 0.00 -0.61 0.00 0.00 39.78 38.82 1b5d n ASN 150 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1b5d s THR 151 N -1.97 0.09 -0.12 3.41 -4.23 -1.11 -1.43 115.64 110.27 1b5d s THR 151 Ca -0.12 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1b5d s THR 151 Cb 0.02 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 73.05 1b5d s THR 151 CO 0.18 -0.42 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.06 1b5d s VAL 152 N -2.28 1.07 0.00 2.29 1.01 -0.18 -1.12 120.40 121.19 1b5d s VAL 152 Ca -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1b5d s VAL 152 Cb -0.02 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1b5d s VAL 152 CO -0.02 0.36 0.17 -1.58 0.00 0.00 0.00 175.10 174.02 1b5d s GLN 153 N 1.69 3.36 -0.13 2.72 0.74 -0.75 0.02 119.66 127.32 1b5d s GLN 153 Ca 0.05 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.10 1b5d s GLN 153 Cb -0.13 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.96 1b5d s GLN 153 CO -0.08 0.66 -0.17 0.71 -0.55 0.00 0.00 175.29 175.86 1b5d s TYR 154 N -1.33 2.19 -0.14 1.67 1.51 0.21 -0.99 117.35 120.46 1b5d s TYR 154 Ca 0.28 -1.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1b5d s TYR 154 Cb -0.13 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1b5d s TYR 154 CO 0.19 -0.56 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.42 1b5d s LEU 155 N 1.08 1.65 -0.40 -1.29 1.43 -0.10 -4.47 118.68 116.58 1b5d s LEU 155 Ca -0.04 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 1b5d s LEU 155 Cb -0.14 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.94 1b5d s LEU 155 CO -0.04 -0.05 0.52 -0.63 0.23 0.00 0.00 176.35 176.37 1b5d s ILE 156 N 1.46 4.99 -0.02 -0.59 1.01 -1.26 -0.95 121.20 125.84 1b5d s ILE 156 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1b5d s ILE 156 Cb -0.13 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.30 1b5d s ILE 156 CO -0.10 -0.40 -0.01 -0.13 0.00 0.00 0.00 174.94 174.31 1b5d s ARG 157 N 2.41 0.30 -1.47 2.79 1.81 -0.21 -4.64 118.95 119.93 1b5d s ARG 157 Ca 0.17 0.01 -0.11 0.00 -1.72 0.00 0.00 55.73 54.08 1b5d s ARG 157 Cb -0.16 -0.41 0.06 0.00 -0.45 0.00 0.00 34.95 33.99 1b5d s ARG 157 CO 0.15 -0.07 0.94 -0.25 -0.68 0.00 0.00 175.30 175.39 1b5d n ASP 158 N 3.78 -5.26 -0.57 0.23 8.00 -1.26 -1.45 116.55 120.02 1b5d n ASP 158 Ca -0.23 -0.63 -0.07 0.00 0.71 0.00 0.00 54.79 54.57 1b5d n ASP 158 Cb 0.53 -4.19 -0.03 0.00 -0.02 0.00 0.00 41.12 37.40 1b5d n ASP 158 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1b5d n LYS 159 N -4.59 -1.61 -4.63 -1.24 5.02 -1.26 -4.97 118.16 104.88 1b5d n LYS 159 Ca 0.01 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.71 1b5d n LYS 159 Cb 0.55 -5.06 -0.11 0.00 -0.02 0.00 0.00 35.03 30.38 1b5d n LYS 159 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b5d s LYS 160 N -2.51 2.62 -0.34 1.97 1.02 -0.53 -0.92 119.74 121.04 1b5d s LYS 160 Ca 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 1b5d s LYS 160 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1b5d s LYS 160 CO 0.00 0.63 0.20 0.42 -0.92 0.00 0.00 175.35 175.69 1b5d s ILE 161 N -0.85 4.84 -0.14 2.17 1.01 -0.04 -1.05 121.20 127.14 1b5d s ILE 161 Ca 0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1b5d s ILE 161 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1b5d s ILE 161 CO 0.03 -0.06 0.17 0.20 0.00 0.00 0.00 174.94 175.28 1b5d s ASN 162 N 1.64 6.36 -0.18 3.58 0.01 -0.13 -0.66 114.94 125.56 1b5d s ASN 162 Ca 0.04 0.42 -0.08 0.00 -0.71 0.00 0.00 52.86 52.54 1b5d s ASN 162 Cb -0.18 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1b5d s ASN 162 CO 0.08 0.29 0.09 0.00 -1.51 0.00 0.00 177.10 176.06 1b5d s ALA 163 N -0.41 3.56 -0.39 0.60 0.00 -0.54 -0.92 121.76 123.66 1b5d s ALA 163 Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1b5d s ALA 163 Cb -0.12 -2.02 0.09 0.00 0.00 0.00 0.00 23.12 21.07 1b5d s ALA 163 CO 0.03 0.21 0.18 0.08 0.00 0.00 0.00 175.76 176.26 1b5d s VAL 164 N 0.23 3.50 -0.25 0.00 1.01 -0.16 -0.36 120.40 124.36 1b5d s VAL 164 Ca 0.06 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.14 1b5d s VAL 164 Cb -0.12 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1b5d s VAL 164 CO -0.00 -0.52 0.46 -0.69 0.00 0.00 0.00 175.10 174.35 1b5d s VAL 165 N 1.24 5.11 -0.33 2.92 1.01 0.42 -1.81 120.40 128.96 1b5d s VAL 165 Ca 0.04 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 1b5d s VAL 165 Cb -0.22 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.42 1b5d s VAL 165 CO -0.02 0.13 0.08 0.21 0.00 0.00 0.00 175.10 175.50 1b5d s ASN 166 N 1.48 5.18 0.09 3.32 2.47 -0.28 -0.56 114.94 126.64 1b5d s ASN 166 Ca 0.19 -1.23 0.07 0.00 0.42 0.00 0.00 52.86 52.32 1b5d s ASN 166 Cb -0.16 -1.82 -0.04 0.00 -1.45 0.00 0.00 41.25 37.79 1b5d s ASN 166 CO 0.09 -0.32 -0.13 -0.04 -3.72 0.00 0.00 177.10 172.99 1b5d s MET 167 N 1.34 2.08 0.04 0.43 -1.94 0.32 -0.63 119.30 120.94 1b5d s MET 167 Ca -0.02 -1.03 -0.13 0.00 -1.71 0.00 0.00 55.69 52.80 1b5d s MET 167 Cb -0.20 -2.26 -0.34 0.00 2.01 0.00 0.00 34.83 34.04 1b5d s MET 167 CO 0.01 0.51 1.02 -0.09 -0.01 0.00 0.00 175.02 176.47 1b5d h ARG 168 N 3.86 0.47 -2.12 2.03 2.43 -0.75 -1.34 114.38 118.96 1b5d h ARG 168 Ca -0.49 -0.80 -0.00 0.00 -0.81 0.00 0.00 59.98 57.88 1b5d h ARG 168 Cb 1.17 0.30 -0.22 0.00 -0.42 0.00 0.00 29.97 30.79 1b5d h ARG 168 CO 0.50 1.38 -0.04 0.45 -1.51 0.00 0.00 179.97 180.75 1b5d s SER 169 N -7.46 -0.87 -0.15 -3.80 0.15 -1.24 -1.89 113.70 98.44 1b5d s SER 169 Ca -0.08 1.41 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 1b5d s SER 169 Cb 0.05 1.30 0.07 0.00 -1.71 0.00 0.00 66.02 65.73 1b5d s SER 169 CO 0.93 -0.23 0.29 0.21 1.20 0.00 0.00 173.24 175.63 1b5d s ASN 170 N 1.63 0.33 0.05 5.45 3.04 -0.92 -4.77 114.94 119.74 1b5d s ASN 170 Ca -0.10 0.58 -0.31 0.00 0.04 0.00 0.00 52.86 53.08 1b5d s ASN 170 Cb -0.06 0.78 -0.07 0.00 -1.54 0.00 0.00 41.25 40.37 1b5d s ASN 170 CO -0.19 -0.25 1.45 -0.62 -3.04 0.00 0.00 177.10 174.46 1b5d s ASP 171 N 2.45 6.79 0.25 -4.21 2.15 -1.26 -2.13 116.67 120.71 1b5d s ASP 171 Ca 0.02 2.25 -0.05 0.00 0.43 0.00 0.00 52.55 55.19 1b5d s ASP 171 Cb -0.12 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.21 1b5d s ASP 171 CO -0.10 -0.74 1.89 0.58 -0.17 0.00 0.00 175.17 176.63 1b5d h VAL 172 N 4.71 1.25 0.00 1.11 2.07 -1.46 0.12 116.25 124.05 1b5d h VAL 172 Ca -0.40 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1b5d h VAL 172 Cb 1.19 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1b5d h VAL 172 CO 0.90 0.27 -0.18 0.58 0.02 0.00 0.00 177.57 179.16 1b5d h VAL 173 N 1.21 0.00 0.09 2.57 2.07 -1.84 -3.37 116.25 116.99 1b5d h VAL 173 Ca 0.31 -0.82 -0.32 0.00 0.82 0.00 0.00 66.70 66.69 1b5d h VAL 173 Cb -0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1b5d h VAL 173 CO -0.05 0.00 -1.71 -0.26 0.02 0.00 0.00 177.57 175.57 1b5d h PHE 174 N -0.82 0.36 0.48 1.57 0.04 -1.90 -3.37 116.94 113.29 1b5d h PHE 174 Ca 0.00 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.49 1b5d h PHE 174 Cb 0.18 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1b5d h PHE 174 CO -0.08 1.67 -0.44 0.78 -0.60 0.00 0.00 178.31 179.65 1b5d h GLY 175 N 0.36 -1.19 0.92 -1.45 0.00 -1.67 -2.57 103.07 97.47 1b5d h GLY 175 Ca -0.38 0.54 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1b5d h GLY 175 CO 0.01 -0.37 0.54 -2.75 0.00 0.00 0.00 176.54 173.97 1b5d h PHE 176 N -0.90 1.02 -0.12 5.60 3.57 -0.94 0.32 116.94 125.50 1b5d h PHE 176 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1b5d h PHE 176 Cb 0.77 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1b5d h PHE 176 CO -0.21 0.61 0.07 -0.09 -2.23 0.00 0.00 178.31 176.46 1b5d h ARG 177 N 1.07 0.17 -0.20 1.11 2.43 -1.71 0.43 114.38 117.68 1b5d h ARG 177 Ca 0.33 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1b5d h ARG 177 Cb -0.04 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1b5d h ARG 177 CO -0.10 0.19 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.62 1b5d h ASN 178 N 0.11 0.37 -0.37 -3.80 2.35 -1.16 -2.62 115.58 110.46 1b5d h ASN 178 Ca 0.04 -0.34 -0.09 0.00 -0.55 0.00 0.00 56.30 55.36 1b5d h ASN 178 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1b5d h ASN 178 CO -0.01 0.62 -0.10 0.44 -1.65 0.00 0.00 177.43 176.73 1b5d h ASP 179 N 0.11 0.80 -0.38 5.81 3.32 -0.86 -2.20 116.42 123.03 1b5d h ASP 179 Ca 0.05 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1b5d h ASP 179 Cb 0.44 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1b5d h ASP 179 CO 0.01 0.93 0.02 0.22 -1.72 0.00 0.00 179.24 178.70 1b5d h TYR 180 N 0.73 0.71 -0.74 4.55 3.20 -0.93 -0.99 116.97 123.50 1b5d h TYR 180 Ca 0.12 -0.12 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1b5d h TYR 180 Cb 0.59 -0.19 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1b5d h TYR 180 CO 0.03 0.73 0.32 0.00 -1.64 0.00 0.00 178.16 177.60 1b5d h ALA 181 N 0.88 1.03 -0.00 1.82 0.00 -1.11 0.65 119.26 122.54 1b5d h ALA 181 Ca 0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1b5d h ALA 181 Cb 0.44 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1b5d h ALA 181 CO 0.02 -0.16 0.00 2.35 0.00 0.00 0.00 179.25 181.46 1b5d h TRP 182 N 0.49 0.00 -0.14 0.00 2.91 -1.23 -1.34 115.95 116.65 1b5d h TRP 182 Ca 0.39 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.33 1b5d h TRP 182 Cb 0.54 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 1b5d h TRP 182 CO -0.15 0.24 -0.26 1.96 -1.03 0.00 0.00 178.44 179.20 1b5d h GLN 183 N -0.23 0.25 -0.33 2.65 1.08 -0.75 -1.47 115.11 116.30 1b5d h GLN 183 Ca 0.00 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1b5d h GLN 183 Cb 0.24 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1b5d h GLN 183 CO 0.00 0.50 -0.11 -0.22 -0.95 0.00 0.00 178.83 178.06 1b5d h LYS 184 N 0.23 0.66 -0.19 1.46 1.63 -0.75 -1.67 116.57 117.93 1b5d h LYS 184 Ca 0.04 -0.27 0.05 0.00 -0.85 0.00 0.00 60.65 59.62 1b5d h LYS 184 Cb 0.59 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.13 1b5d h LYS 184 CO 0.04 0.85 -0.17 -0.92 -3.45 0.00 0.00 179.45 175.80 1b5d h TYR 185 N 0.44 -0.42 -0.42 1.91 3.20 -0.81 -0.38 116.97 120.50 1b5d h TYR 185 Ca 0.08 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1b5d h TYR 185 Cb 0.62 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1b5d h TYR 185 CO 0.05 -0.24 -0.14 0.28 -1.64 0.00 0.00 178.16 176.48 1b5d h VAL 186 N -0.18 1.26 -0.28 1.81 2.07 -1.20 -0.41 116.25 119.32 1b5d h VAL 186 Ca 0.12 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1b5d h VAL 186 Cb 0.35 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1b5d h VAL 186 CO -0.30 0.41 0.07 0.25 0.02 0.00 0.00 177.57 178.02 1b5d h LEU 187 N 0.69 0.43 -0.61 2.57 5.85 -0.97 -0.20 115.31 123.07 1b5d h LEU 187 Ca 0.11 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1b5d h LEU 187 Cb 0.62 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1b5d h LEU 187 CO 0.04 0.55 0.40 0.44 -0.34 0.00 0.00 178.44 179.54 1b5d h ASP 188 N 0.28 0.71 -0.22 1.25 3.32 -0.85 -1.68 116.42 119.23 1b5d h ASP 188 Ca 0.09 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1b5d h ASP 188 Cb 0.29 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1b5d h ASP 188 CO 0.00 0.52 -0.06 0.50 -1.72 0.00 0.00 179.24 178.48 1b5d h LYS 189 N 0.83 -0.01 -0.68 3.56 3.11 -0.84 -1.62 116.57 120.93 1b5d h LYS 189 Ca 0.22 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1b5d h LYS 189 Cb -0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 1b5d h LYS 189 CO -0.05 -0.00 0.42 1.25 -2.81 0.00 0.00 179.45 178.26 1b5d h LEU 190 N -0.01 0.81 -0.62 5.20 5.85 -0.75 -1.04 115.31 124.76 1b5d h LEU 190 Ca 0.11 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1b5d h LEU 190 Cb 0.17 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1b5d h LEU 190 CO -0.23 0.63 0.41 0.58 -0.34 0.00 0.00 178.44 179.48 1b5d h VAL 191 N 0.93 1.16 -0.03 1.05 2.07 -1.05 -1.88 116.25 118.49 1b5d h VAL 191 Ca 0.25 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1b5d h VAL 191 Cb -0.04 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1b5d h VAL 191 CO -0.05 0.16 -0.02 0.28 0.02 0.00 0.00 177.57 177.96 1b5d h SER 192 N 0.84 -0.07 0.02 0.57 0.02 -0.82 -1.39 113.55 112.72 1b5d h SER 192 Ca 0.23 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 1b5d h SER 192 Cb -0.09 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1b5d h SER 192 CO -0.05 -0.03 -0.25 0.44 -1.14 0.00 0.00 176.83 175.80 1b5d h ASP 193 N -0.03 0.37 -0.05 3.07 3.32 -1.06 0.50 116.42 122.54 1b5d h ASP 193 Ca 0.02 -0.12 -0.25 0.00 0.02 0.00 0.00 57.03 56.71 1b5d h ASP 193 Cb 0.05 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.52 1b5d h ASP 193 CO -0.04 0.62 -0.92 -0.07 -1.72 0.00 0.00 179.24 177.11 1b5d h LEU 194 N 0.33 0.91 -0.94 1.55 3.38 -1.27 -2.96 115.31 116.32 1b5d h LEU 194 Ca 0.05 -0.67 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 1b5d h LEU 194 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1b5d h LEU 194 CO 0.04 1.47 -0.15 0.78 0.09 0.00 0.00 178.44 180.68 1b5d h ASN 195 N 0.46 0.60 0.99 -0.43 2.35 -0.96 -2.64 115.58 115.95 1b5d h ASN 195 Ca -0.09 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1b5d h ASN 195 Cb 1.56 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.77 1b5d h ASN 195 CO 0.18 0.77 -0.01 0.00 -1.65 0.00 0.00 177.43 176.72 1b5d h ALA 196 N 1.29 1.00 0.00 -0.83 0.00 -0.93 -2.78 119.26 117.01 1b5d h ALA 196 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1b5d h ALA 196 Cb 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1b5d h ALA 196 CO 0.04 0.02 -0.66 0.78 0.00 0.00 0.00 179.25 179.43 1b5d h GLY 197 N 1.99 0.00 -5.66 0.00 0.00 -1.29 -3.44 103.07 94.66 1b5d h GLY 197 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1b5d h GLY 197 CO 0.00 0.00 -0.25 -0.35 0.00 0.00 0.00 176.54 175.94 1b5d s ASP 198 N -6.51 -0.99 0.14 0.19 -1.08 -1.05 -5.04 116.67 102.32 1b5d s ASP 198 Ca 0.03 1.09 0.21 0.00 -0.52 0.00 0.00 52.55 53.36 1b5d s ASP 198 Cb 0.08 2.01 0.85 0.00 -1.46 0.00 0.00 42.92 44.41 1b5d s ASP 198 CO 0.77 -0.25 1.64 -1.54 0.52 0.00 0.00 175.17 176.31 1b5d n SER 199 N 5.43 0.38 -0.21 -0.34 3.41 -1.23 -1.97 113.62 119.09 1b5d n SER 199 Ca -0.06 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 1b5d n SER 199 Cb 0.50 -0.67 0.51 0.00 -0.26 0.00 0.00 64.21 64.29 1b5d n SER 199 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b5d n THR 200 N -1.91 0.00 0.03 6.66 -2.24 -1.26 -4.20 114.28 111.36 1b5d n THR 200 Ca 0.03 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1b5d n THR 200 Cb 0.23 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 1b5d n THR 200 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1b5d h ARG 201 N 1.05 -0.11 -6.17 -0.78 3.08 -1.73 -3.47 114.38 106.25 1b5d h ARG 201 Ca 0.00 0.01 -0.45 0.00 0.07 0.00 0.00 59.98 59.61 1b5d h ARG 201 Cb 0.43 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.52 1b5d h ARG 201 CO 0.00 0.31 -0.77 1.04 -1.07 0.00 0.00 179.97 179.48 1b5d n GLN 202 N -4.94 -5.72 -2.29 0.04 1.13 -1.26 -4.95 117.38 99.39 1b5d n GLN 202 Ca -0.08 0.64 -0.33 0.00 -1.94 0.00 0.00 57.00 55.28 1b5d n GLN 202 Cb 0.24 -5.47 -0.01 0.00 0.11 0.00 0.00 30.24 25.11 1b5d n GLN 202 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1b5d s TYR 203 N -3.40 2.98 0.06 1.08 2.02 -1.26 -4.94 117.35 113.89 1b5d s TYR 203 Ca 0.46 1.54 0.06 0.00 -0.37 0.00 0.00 57.07 58.76 1b5d s TYR 203 Cb -0.23 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1b5d s TYR 203 CO 0.81 -1.00 -0.16 0.21 -1.57 0.00 0.00 175.55 173.85 1b5d s LYS 204 N -3.64 0.97 0.19 -0.62 2.20 -0.10 -4.97 119.74 113.77 1b5d s LYS 204 Ca 0.66 -0.90 -0.32 0.00 -0.36 0.00 0.00 55.97 55.05 1b5d s LYS 204 Cb -0.16 -1.03 -0.12 0.00 -1.51 0.00 0.00 37.83 35.01 1b5d s LYS 204 CO 0.28 0.24 1.71 0.00 -0.36 0.00 0.00 175.35 177.23 1b5d s ALA 205 N -1.03 3.91 0.00 3.13 0.00 -1.26 -0.86 121.76 125.64 1b5d s ALA 205 Ca 0.02 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1b5d s ALA 205 Cb -0.09 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1b5d s ALA 205 CO 0.02 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1b5d n GLY 206 N 3.97 2.05 3.83 0.00 0.00 0.17 -4.71 105.19 110.51 1b5d n GLY 206 Ca 0.16 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 1b5d n GLY 206 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b5d s SER 207 N -0.76 6.90 -0.37 1.61 0.01 -1.26 -4.87 113.70 114.95 1b5d s SER 207 Ca 0.00 1.13 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 1b5d s SER 207 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1b5d s SER 207 CO 0.00 0.16 0.30 -0.63 0.41 0.00 0.00 173.24 173.49 1b5d s ILE 208 N -1.34 5.23 -0.26 1.44 1.01 -1.26 -1.46 121.20 124.56 1b5d s ILE 208 Ca 0.35 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1b5d s ILE 208 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1b5d s ILE 208 CO 0.19 -0.18 0.38 -0.63 0.00 0.00 0.00 174.94 174.70 1b5d s ILE 209 N 1.81 5.18 -0.30 2.92 1.01 0.51 -1.06 121.20 131.26 1b5d s ILE 209 Ca 0.07 0.59 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 1b5d s ILE 209 Cb -0.18 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1b5d s ILE 209 CO 0.11 0.17 0.19 0.86 0.00 0.00 0.00 174.94 176.26 1b5d s TRP 210 N 1.99 3.20 -0.18 3.97 -0.11 0.50 -0.44 118.94 127.87 1b5d s TRP 210 Ca 0.15 -0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.33 1b5d s TRP 210 Cb -0.16 -2.39 0.01 0.00 -1.50 0.00 0.00 33.47 29.44 1b5d s TRP 210 CO 0.10 -0.29 -0.17 -0.80 -4.62 0.00 0.00 176.95 171.17 1b5d s ASN 211 N 1.71 3.40 -0.06 5.86 0.01 0.28 -1.67 114.94 124.46 1b5d s ASN 211 Ca 0.06 -0.58 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 1b5d s ASN 211 Cb -0.16 -1.53 0.01 0.00 0.41 0.00 0.00 41.25 39.97 1b5d s ASN 211 CO 0.09 0.01 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.89 1b5d s VAL 212 N 1.27 1.03 0.05 1.60 1.01 0.33 -0.52 120.40 125.18 1b5d s VAL 212 Ca 0.04 -0.42 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 1b5d s VAL 212 Cb -0.14 -0.96 -0.19 0.00 0.00 0.00 0.00 36.38 35.10 1b5d s VAL 212 CO -0.10 0.33 1.45 1.23 0.00 0.00 0.00 175.10 178.02 1b5d h GLY 213 N 7.01 -1.17 -7.60 4.51 0.00 -1.17 -0.44 103.07 104.21 1b5d h GLY 213 Ca -0.32 0.43 -0.63 0.00 0.00 0.00 0.00 47.33 46.82 1b5d h GLY 213 CO 0.47 -0.42 -0.76 -0.45 0.00 0.00 0.00 176.54 175.38 1b5d s SER 214 N -4.25 4.20 -0.34 0.19 0.15 -0.79 -0.55 113.70 112.31 1b5d s SER 214 Ca -0.18 -1.55 -0.15 0.00 0.70 0.00 0.00 55.95 54.77 1b5d s SER 214 Cb 0.02 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.02 1b5d s SER 214 CO 0.56 -0.30 0.36 -0.22 1.20 0.00 0.00 173.24 174.84 1b5d s LEU 215 N 1.26 4.42 0.07 3.45 2.96 -0.24 -2.17 118.68 128.42 1b5d s LEU 215 Ca 0.01 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1b5d s LEU 215 Cb -0.19 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1b5d s LEU 215 CO -0.10 -0.33 -0.07 -1.38 -1.32 0.00 0.00 176.35 173.15 1b5d s HIS 216 N 2.02 0.75 -0.13 5.38 -3.43 -0.90 -0.34 115.29 118.63 1b5d s HIS 216 Ca 0.12 -0.70 -0.01 0.00 -0.80 0.00 0.00 55.06 53.66 1b5d s HIS 216 Cb -0.16 -0.45 -0.02 0.00 -1.43 0.00 0.00 32.58 30.52 1b5d s HIS 216 CO 0.12 -0.13 -0.10 0.08 -2.00 0.00 0.00 174.74 172.71 1b5d s VAL 217 N -2.46 3.36 0.63 -5.38 1.01 -0.40 -1.05 120.40 116.11 1b5d s VAL 217 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1b5d s VAL 217 Cb -0.03 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1b5d s VAL 217 CO -0.02 0.52 1.05 -0.31 0.00 0.00 0.00 175.10 176.34 1b5d s TYR 218 N 0.25 3.15 0.48 5.22 2.02 -1.26 -2.18 117.35 125.03 1b5d s TYR 218 Ca -0.07 1.45 0.14 0.00 -0.37 0.00 0.00 57.07 58.21 1b5d s TYR 218 Cb -0.15 -2.90 1.14 0.00 -0.40 0.00 0.00 41.96 39.65 1b5d s TYR 218 CO 0.04 -1.05 2.11 0.66 -1.57 0.00 0.00 175.55 175.74 1b5d h SER 219 N -0.10 0.16 0.57 2.29 4.64 -1.59 -0.39 113.55 119.14 1b5d h SER 219 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1b5d h SER 219 Cb 1.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1b5d h SER 219 CO 0.58 0.12 0.00 -2.11 -0.87 0.00 0.00 176.83 174.54 1b5d n ARG 220 N -4.51 0.13 -0.16 4.77 1.85 -1.26 -1.87 116.66 115.60 1b5d n ARG 220 Ca -0.00 0.40 0.06 0.00 -1.00 0.00 0.00 57.85 57.30 1b5d n ARG 220 Cb 0.11 -1.76 0.14 0.00 -1.05 0.00 0.00 32.46 29.91 1b5d n ARG 220 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1b5d n HIS 221 N -2.00 0.42 -0.02 2.89 8.25 -0.16 -4.63 115.22 119.97 1b5d n HIS 221 Ca 0.02 -0.46 0.03 0.00 -0.26 0.00 0.00 57.72 57.06 1b5d n HIS 221 Cb 0.19 -0.02 0.40 0.00 1.12 0.00 0.00 29.99 31.67 1b5d n HIS 221 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1b5d h PHE 222 N 2.03 0.56 -0.02 4.41 0.04 -1.34 -2.14 116.94 120.48 1b5d h PHE 222 Ca 0.00 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1b5d h PHE 222 Cb 0.71 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 1b5d h PHE 222 CO 0.21 0.36 0.02 0.10 -0.60 0.00 0.00 178.31 178.40 1b5d h TYR 223 N 0.60 0.00 -0.36 -0.55 -0.00 -1.80 -0.28 116.97 114.58 1b5d h TYR 223 Ca 0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.82 1b5d h TYR 223 Cb -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.66 1b5d h TYR 223 CO 0.00 0.00 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.02 1b5d h LEU 224 N 0.00 0.69 -0.25 0.10 3.38 -1.73 -1.01 115.31 116.49 1b5d h LEU 224 Ca 0.01 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1b5d h LEU 224 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1b5d h LEU 224 CO -0.00 0.88 -0.05 0.58 0.09 0.00 0.00 178.44 179.94 1b5d h VAL 225 N 0.49 1.28 -0.44 1.22 2.07 -1.33 -2.20 116.25 117.33 1b5d h VAL 225 Ca 0.09 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1b5d h VAL 225 Cb 0.57 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1b5d h VAL 225 CO 0.03 0.33 0.21 -0.78 0.02 0.00 0.00 177.57 177.38 1b5d h ASP 226 N 0.23 0.30 -0.42 0.57 3.58 -1.06 0.11 116.42 119.73 1b5d h ASP 226 Ca 0.07 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.47 1b5d h ASP 226 Cb 0.51 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1b5d h ASP 226 CO 0.02 0.21 -0.01 -0.74 -2.88 0.00 0.00 179.24 175.84 1b5d h HIS 227 N 0.43 0.82 -0.71 0.28 2.76 -1.17 -1.81 115.15 115.75 1b5d h HIS 227 Ca 0.19 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1b5d h HIS 227 Cb 0.12 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1b5d h HIS 227 CO -0.11 0.82 0.41 2.35 -1.30 0.00 0.00 177.93 180.11 1b5d h TRP 228 N 0.59 0.95 -0.97 5.26 7.01 -1.19 -0.45 115.95 127.15 1b5d h TRP 228 Ca 0.12 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.19 1b5d h TRP 228 Cb 0.50 -0.31 -0.07 0.00 -2.10 0.00 0.00 29.16 27.19 1b5d h TRP 228 CO 0.04 0.66 0.63 2.35 -2.79 0.00 0.00 178.44 179.32 1b5d h TRP 229 N 0.97 1.13 0.20 2.65 2.91 -0.46 0.22 115.95 123.57 1b5d h TRP 229 Ca 0.25 0.03 -0.30 0.00 1.13 0.00 0.00 58.89 60.00 1b5d h TRP 229 Cb -0.00 -0.37 0.03 0.00 -0.51 0.00 0.00 29.16 28.31 1b5d h TRP 229 CO -0.01 0.55 -1.31 0.87 -1.03 0.00 0.00 178.44 177.51 1b5d h LYS 230 N 1.07 0.54 0.00 2.65 1.57 -1.04 -3.42 116.57 117.95 1b5d h LYS 230 Ca 0.43 -0.85 -0.06 0.00 -1.87 0.00 0.00 60.65 58.31 1b5d h LYS 230 Cb 0.27 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1b5d h LYS 230 CO -0.19 1.40 -1.21 0.25 -0.57 0.00 0.00 179.45 179.13 1b5d n THR 231 N -3.80 0.21 -0.30 -0.16 -2.24 -0.21 -5.03 114.28 102.75 1b5d n THR 231 Ca -0.16 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1b5d n THR 231 Cb 1.03 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1b5d n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b5d n GLY 232 N 2.88 0.76 3.75 3.38 0.00 0.77 -5.03 105.19 111.70 1b5d n GLY 232 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1b5d n GLY 232 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b5d s GLU 233 N -0.70 4.26 0.00 1.61 2.02 -1.26 -4.98 118.70 119.66 1b5d s GLU 233 Ca 0.00 0.48 0.25 0.00 0.02 0.00 0.00 54.97 55.72 1b5d s GLU 233 Cb 0.00 -3.38 1.07 0.00 0.10 0.00 0.00 34.13 31.92 1b5d s GLU 233 CO 0.00 0.29 1.74 0.25 0.02 0.00 0.00 175.26 177.56 1b5d n THR 234 N 3.17 0.07 -3.70 3.63 -2.24 -1.26 -3.42 114.28 110.53 1b5d n THR 234 Ca -0.08 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1b5d n THR 234 Cb 0.52 0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.87 1b5d n THR 234 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1b5d s HIS 235 N -1.93 -0.53 0.03 4.78 5.65 -1.26 -0.58 115.29 121.44 1b5d s HIS 235 Ca 0.36 1.28 -0.01 0.00 0.25 0.00 0.00 55.06 56.94 1b5d s HIS 235 Cb 0.19 0.19 -0.02 0.00 -1.18 0.00 0.00 32.58 31.76 1b5d s HIS 235 CO 0.30 -0.29 -0.01 0.42 -0.65 0.00 0.00 174.74 174.51 1b5d s ILE 236 N 0.11 0.13 0.36 0.89 1.09 -1.26 -5.04 121.20 117.48 1b5d s ILE 236 Ca -0.01 -1.10 -0.28 0.00 -1.10 0.00 0.00 60.65 58.16 1b5d s ILE 236 Cb -0.03 -0.57 -0.10 0.00 -1.06 0.00 0.00 42.46 40.70 1b5d s ILE 236 CO 0.01 -0.60 1.33 -0.55 -0.10 0.00 0.00 174.94 175.02 1b5d s SER 237 N -1.80 6.58 0.56 3.58 0.15 -1.26 -4.90 113.70 116.61 1b5d s SER 237 Ca -0.10 2.72 0.26 0.00 0.70 0.00 0.00 55.95 59.52 1b5d s SER 237 Cb -0.06 -2.65 1.60 0.00 -1.71 0.00 0.00 66.02 63.21 1b5d s SER 237 CO -0.03 -0.67 2.19 0.50 1.20 0.00 0.00 173.24 176.43 1b5d h LYS 238 N 3.12 0.00 0.01 5.44 1.63 -2.01 -2.26 116.57 122.50 1b5d h LYS 238 Ca -0.49 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.06 1b5d h LYS 238 Cb 1.23 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1b5d h LYS 238 CO 0.64 0.03 -1.00 0.87 -3.45 0.00 0.00 179.45 176.55 1b5d h LYS 239 N 0.00 0.49 0.00 1.90 1.57 -2.01 -3.18 116.57 115.33 1b5d h LYS 239 Ca -0.00 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1b5d h LYS 239 Cb 0.08 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1b5d h LYS 239 CO 0.00 1.18 0.00 -0.25 -0.57 0.00 0.00 179.45 179.82 1b5d n ASP 240 N -3.76 0.58 -4.75 0.86 9.92 -0.88 -4.86 116.55 113.64 1b5d n ASP 240 Ca -0.08 0.56 -0.41 0.00 -0.53 0.00 0.00 54.79 54.34 1b5d n ASP 240 Cb 0.87 -0.71 -0.04 0.00 -0.64 0.00 0.00 41.12 40.59 1b5d n ASP 240 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1b5d s TYR 241 N -3.09 3.54 -0.03 1.24 5.04 -1.01 -4.99 117.35 118.04 1b5d s TYR 241 Ca 0.11 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 1b5d s TYR 241 Cb 0.14 -3.32 0.03 0.00 0.35 0.00 0.00 41.96 39.15 1b5d s TYR 241 CO 0.55 -0.70 0.01 0.54 -1.34 0.00 0.00 175.55 174.61 1b5d s VAL 242 N -0.90 0.13 -5.00 3.14 0.11 -1.26 -5.03 120.40 111.59 1b5d s VAL 242 Ca 0.46 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1b5d s VAL 242 Cb -0.32 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1b5d s VAL 242 CO 0.40 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1b5d n GLY 243 N 4.21 -2.04 0.07 6.54 0.00 -1.26 -5.01 105.19 107.71 1b5d n GLY 243 Ca -0.25 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 44.54 1b5d n GLY 243 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b5d n LYS 244 N -0.70 0.39 -0.93 1.61 2.85 -1.26 -3.41 118.16 116.71 1b5d n LYS 244 Ca 0.00 -0.14 -0.13 0.00 -1.05 0.00 0.00 58.31 56.98 1b5d n LYS 244 Cb 0.00 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.07 1b5d n LYS 244 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1b5d n TYR 245 N -1.18 2.29 0.00 5.58 4.01 -1.26 -5.13 117.16 121.48 1b5d n TYR 245 Ca 0.11 -1.34 0.00 0.00 -0.16 0.00 0.00 57.90 56.50 1b5d n TYR 245 Cb 0.31 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 1b5d n TYR 245 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40