#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq n ASP 2 N 0.00 -2.64 -3.73 6.43 9.92 -1.26 -4.99 116.55 120.28 1sqq n ASP 2 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1sqq n ASP 2 Cb 0.00 -0.44 -0.11 0.00 -0.64 0.00 0.00 41.12 39.93 1sqq n ASP 2 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1sqq s LEU 3 N 0.00 0.35 -0.01 0.64 1.02 -1.26 -5.17 118.68 114.25 1sqq s LEU 3 Ca 0.00 0.72 0.01 0.00 0.02 0.00 0.00 54.13 54.88 1sqq s LEU 3 Cb 0.00 1.14 0.00 0.00 0.02 0.00 0.00 46.19 47.35 1sqq s LEU 3 CO 0.00 -0.16 -0.03 -0.70 0.02 0.00 0.00 176.35 175.49 1sqq s GLU 4 N 0.85 0.30 -0.22 1.70 2.12 -1.26 -4.83 118.70 117.36 1sqq s GLU 4 Ca -0.05 -0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.11 1sqq s GLU 4 Cb -0.06 -0.32 -0.04 0.00 0.26 0.00 0.00 34.13 33.97 1sqq s GLU 4 CO -0.06 0.04 0.08 -1.17 -0.54 0.00 0.00 175.26 173.61 1sqq s LEU 5 N 0.12 3.68 -0.09 2.70 2.96 -1.26 -5.12 118.68 121.67 1sqq s LEU 5 Ca -0.01 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.74 1sqq s LEU 5 Cb -0.04 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1sqq s LEU 5 CO -0.00 0.06 0.24 -1.00 -1.32 0.00 0.00 176.35 174.32 1sqq s HIS 6 N 1.09 3.62 0.89 5.38 3.76 -1.26 -4.72 115.29 124.04 1sqq s HIS 6 Ca 0.05 0.67 -0.11 0.00 -0.15 0.00 0.00 55.06 55.52 1sqq s HIS 6 Cb -0.14 -2.11 0.13 0.00 1.11 0.00 0.00 32.58 31.57 1sqq s HIS 6 CO 0.03 0.63 1.12 -2.30 -0.85 0.00 0.00 174.74 173.37 1sqq n PRO 7 N 2.19 -0.29 -0.97 8.40 -0.02 -1.26 -5.05 135.00 138.00 1sqq n PRO 7 Ca -0.17 -0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 60.99 1sqq n PRO 7 Cb 0.54 -2.36 0.25 0.00 -0.02 0.00 0.00 33.50 31.91 1sqq n PRO 7 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sqq s PRO 8 N -4.44 -1.62 -0.73 0.52 0.04 -1.26 -5.03 135.00 122.49 1sqq s PRO 8 Ca 0.68 -0.08 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 1sqq s PRO 8 Cb -0.25 -1.55 0.19 0.00 0.04 0.00 0.00 34.50 32.93 1sqq s PRO 8 CO 0.57 -3.97 0.62 -1.54 0.04 0.00 0.00 177.00 172.71 1sqq s SER 9 N -3.82 6.11 -0.00 6.66 1.04 -1.26 -4.90 113.70 117.54 1sqq s SER 9 Ca 0.71 -2.70 -0.30 0.00 0.48 0.00 0.00 55.95 54.14 1sqq s SER 9 Cb -0.09 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 1sqq s SER 9 CO 0.56 -0.51 1.27 -0.31 0.98 0.00 0.00 173.24 175.24 1sqq s TYR 10 N 0.17 3.14 -1.15 5.02 2.02 -1.26 -4.92 117.35 120.36 1sqq s TYR 10 Ca 0.17 1.09 -0.18 0.00 -0.37 0.00 0.00 57.07 57.78 1sqq s TYR 10 Cb -0.15 -3.51 0.11 0.00 -0.40 0.00 0.00 41.96 38.00 1sqq s TYR 10 CO -0.06 -1.72 1.48 -1.25 -1.57 0.00 0.00 175.55 172.43 1sqq s PRO 11 N 1.96 3.88 1.27 -1.71 0.04 -1.26 -4.95 135.00 134.23 1sqq s PRO 11 Ca 0.59 -1.98 -0.18 0.00 0.04 0.00 0.00 61.00 59.47 1sqq s PRO 11 Cb -0.28 -5.25 0.31 0.00 0.04 0.00 0.00 34.50 29.32 1sqq s PRO 11 CO 0.25 -2.01 1.01 -1.58 0.04 0.00 0.00 177.00 174.71 1sqq s TRP 12 N 3.26 0.39 -1.40 0.56 0.52 -1.26 -4.93 118.94 116.08 1sqq s TRP 12 Ca 0.45 0.74 0.05 0.00 0.02 0.00 0.00 56.10 57.36 1sqq s TRP 12 Cb -0.00 -3.11 0.18 0.00 -1.15 0.00 0.00 33.47 29.39 1sqq s TRP 12 CO -0.01 -4.27 0.97 0.43 0.02 0.00 0.00 176.95 174.09 1sqq n SER 13 N -5.13 1.59 0.00 2.95 7.64 -1.26 -4.16 113.62 115.25 1sqq n SER 13 Ca 0.09 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1sqq n SER 13 Cb 0.58 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1sqq n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqq n HIS 14 N 0.10 0.00 -0.22 1.43 -0.00 -1.26 -4.24 115.22 111.02 1sqq n HIS 14 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.80 1sqq n HIS 14 Cb 0.32 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.37 1sqq n HIS 14 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1sqq n ARG 15 N 0.00 -0.10 -1.46 -1.40 0.63 -1.26 -4.70 116.66 108.37 1sqq n ARG 15 Ca 0.00 0.93 -0.38 0.00 -0.92 0.00 0.00 57.85 57.49 1sqq n ARG 15 Cb 0.00 -1.39 0.04 0.00 0.45 0.00 0.00 32.46 31.56 1sqq n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sqq n GLY 16 N -1.33 -1.40 0.25 5.14 0.00 -1.26 -4.91 105.19 101.68 1sqq n GLY 16 Ca 0.08 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.07 1sqq n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sqq h LEU 17 N 0.21 0.00 -3.00 0.99 -0.00 -2.00 -3.32 115.31 108.19 1sqq h LEU 17 Ca -0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.31 1sqq h LEU 17 Cb 1.39 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.82 1sqq h LEU 17 CO 0.47 0.00 -0.82 0.18 -0.00 0.00 0.00 178.44 178.27 1sqq n LEU 18 N -2.97 1.69 -3.66 1.67 4.77 -1.26 -4.91 117.00 112.32 1sqq n LEU 18 Ca 0.01 -2.77 -0.27 0.00 -0.03 0.00 0.00 56.01 52.95 1sqq n LEU 18 Cb 0.33 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 1sqq n LEU 18 CO 0.27 0.87 -0.34 -0.44 -1.33 0.00 0.00 177.39 176.41 1sqq s SER 19 N -2.50 2.87 0.71 -1.43 0.01 -1.25 -4.94 113.70 107.18 1sqq s SER 19 Ca 0.36 -0.87 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 1sqq s SER 19 Cb 0.38 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.19 1sqq s SER 19 CO -0.13 -0.35 1.13 -0.55 0.41 0.00 0.00 173.24 173.75 1sqq s SER 20 N 1.98 4.66 0.78 2.44 0.15 -1.26 -4.42 113.70 118.03 1sqq s SER 20 Ca 0.02 2.05 -0.13 0.00 0.70 0.00 0.00 55.95 58.59 1sqq s SER 20 Cb -0.17 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1sqq s SER 20 CO -0.14 -1.94 1.17 -0.76 1.20 0.00 0.00 173.24 172.77 1sqq s LEU 21 N -5.25 3.15 -0.21 3.45 1.43 -1.26 -4.28 118.68 115.71 1sqq s LEU 21 Ca 0.67 2.22 -0.16 0.00 -1.03 0.00 0.00 54.13 55.83 1sqq s LEU 21 Cb -0.22 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.39 1sqq s LEU 21 CO 0.46 -2.43 0.40 -0.62 0.23 0.00 0.00 176.35 174.39 1sqq s ASP 22 N -2.42 6.42 -0.24 2.29 2.15 -1.26 -5.00 116.67 118.60 1sqq s ASP 22 Ca 0.70 0.49 -0.07 0.00 0.43 0.00 0.00 52.55 54.10 1sqq s ASP 22 Cb -0.25 -2.23 -0.12 0.00 -0.30 0.00 0.00 42.92 40.02 1sqq s ASP 22 CO 0.50 -0.09 -0.27 1.41 -0.17 0.00 0.00 175.17 176.54 1sqq n HIS 23 N 4.59 0.00 0.00 -5.34 8.25 -1.26 -0.75 115.22 120.71 1sqq n HIS 23 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1sqq n HIS 23 Cb 0.51 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1sqq n HIS 23 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1sqq n THR 24 N -3.76 0.00 0.11 1.59 -2.24 -1.26 -1.88 114.28 106.84 1sqq n THR 24 Ca -0.45 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 1sqq n THR 24 Cb 0.87 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1sqq n THR 24 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1sqq h SER 25 N 0.00 0.04 -0.90 3.42 0.87 -1.80 -1.76 113.55 113.41 1sqq h SER 25 Ca 0.00 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1sqq h SER 25 Cb 0.00 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1sqq h SER 25 CO 0.00 0.78 0.50 0.40 -0.53 0.00 0.00 176.83 177.98 1sqq h ILE 26 N 0.02 1.26 0.74 2.23 2.04 -0.89 -2.21 117.51 120.70 1sqq h ILE 26 Ca -0.01 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1sqq h ILE 26 Cb 1.34 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1sqq h ILE 26 CO 0.10 0.29 -0.36 -0.09 0.00 0.00 0.00 178.15 178.10 1sqq h ARG 27 N 1.26 -0.96 -1.00 2.37 2.43 -0.59 0.44 114.38 118.34 1sqq h ARG 27 Ca 0.32 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 1sqq h ARG 27 Cb 0.02 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1sqq h ARG 27 CO -0.05 -0.64 0.63 0.00 -1.51 0.00 0.00 179.97 178.40 1sqq h ARG 28 N -0.99 1.04 -0.04 0.20 3.08 -1.59 -1.34 114.38 114.75 1sqq h ARG 28 Ca -0.10 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 1sqq h ARG 28 Cb 0.76 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1sqq h ARG 28 CO 0.17 0.69 -0.58 0.78 -1.07 0.00 0.00 179.97 179.95 1sqq h GLY 29 N 1.07 0.13 1.00 0.04 0.00 -0.83 0.35 103.07 104.83 1sqq h GLY 29 Ca 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1sqq h GLY 29 CO -0.22 0.15 0.17 -2.75 0.00 0.00 0.00 176.54 173.89 1sqq h PHE 30 N 0.09 0.33 -0.58 5.60 3.57 0.42 0.23 116.94 126.61 1sqq h PHE 30 Ca -0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1sqq h PHE 30 Cb 1.06 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 1sqq h PHE 30 CO 0.01 0.21 0.31 1.96 -2.23 0.00 0.00 178.31 178.58 1sqq h GLN 31 N 0.35 0.58 -0.77 1.11 4.20 -0.05 0.38 115.11 120.90 1sqq h GLN 31 Ca 0.10 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1sqq h GLN 31 Cb -0.03 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.56 1sqq h GLN 31 CO -0.02 0.38 0.47 0.28 -0.67 0.00 0.00 178.83 179.28 1sqq h VAL 32 N 0.60 1.04 -0.77 -0.54 2.07 -0.35 -0.99 116.25 117.30 1sqq h VAL 32 Ca 0.25 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1sqq h VAL 32 Cb 0.13 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1sqq h VAL 32 CO -0.16 0.16 0.46 0.22 0.02 0.00 0.00 177.57 178.27 1sqq h TYR 33 N 0.88 1.03 -0.03 1.57 3.20 0.13 -2.83 116.97 120.91 1sqq h TYR 33 Ca 0.33 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1sqq h TYR 33 Cb 0.13 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1sqq h TYR 33 CO -0.05 0.70 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.95 1sqq h LYS 34 N 1.06 0.06 0.04 1.82 3.11 0.11 -2.17 116.57 120.60 1sqq h LYS 34 Ca 0.28 -0.02 -0.23 0.00 -2.81 0.00 0.00 60.65 57.87 1sqq h LYS 34 Cb -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1sqq h LYS 34 CO -0.05 0.38 -1.21 1.96 -2.81 0.00 0.00 179.45 177.71 1sqq h GLN 35 N -0.27 0.08 0.14 1.90 4.20 -1.62 -3.40 115.11 116.15 1sqq h GLN 35 Ca 0.01 -0.14 -0.28 0.00 0.06 0.00 0.00 58.65 58.30 1sqq h GLN 35 Cb 0.35 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1sqq h GLN 35 CO 0.00 1.07 -1.42 0.28 -0.67 0.00 0.00 178.83 178.09 1sqq h VAL 36 N -0.74 1.07 0.00 -0.54 2.07 -1.58 -3.40 116.25 113.14 1sqq h VAL 36 Ca -0.30 -2.44 -0.14 0.00 0.82 0.00 0.00 66.70 64.63 1sqq h VAL 36 Cb 1.44 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.97 1sqq h VAL 36 CO -0.09 0.74 -1.70 0.00 0.02 0.00 0.00 177.57 176.53 1sqq n SER 38 N -2.67 2.93 -0.78 0.00 3.41 -1.00 -2.61 113.62 112.90 1sqq n SER 38 Ca -0.12 -1.93 0.09 0.00 -0.26 0.00 0.00 58.87 56.66 1sqq n SER 38 Cb 0.80 -0.10 0.27 0.00 -0.26 0.00 0.00 64.21 64.91 1sqq n SER 38 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sqq n SER 39 N 1.21 2.29 0.00 4.04 3.41 -1.26 -4.45 113.62 118.86 1sqq n SER 39 Ca 0.17 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1sqq n SER 39 Cb 0.56 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1sqq n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqq s HIS 41 N -0.61 2.23 0.66 0.00 4.02 -1.07 -4.80 115.29 115.71 1sqq s HIS 41 Ca 0.00 -1.25 -0.17 0.00 1.02 0.00 0.00 55.06 54.65 1sqq s HIS 41 Cb 0.00 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.58 29.93 1sqq s HIS 41 CO 0.00 -0.67 1.19 -1.13 1.02 0.00 0.00 174.74 175.14 1sqq n SER 42 N 4.72 1.56 -3.20 1.40 3.41 -1.26 -4.59 113.62 115.66 1sqq n SER 42 Ca -0.18 0.79 -0.23 0.00 -0.26 0.00 0.00 58.87 58.99 1sqq n SER 42 Cb 0.50 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 62.89 1sqq n SER 42 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1sqq n MET 43 N -1.85 1.05 0.00 4.33 2.00 -1.26 -0.91 117.12 120.48 1sqq n MET 43 Ca 0.15 -3.47 0.04 0.00 0.00 0.00 0.00 57.70 54.42 1sqq n MET 43 Cb 0.48 -1.48 0.17 0.00 0.00 0.00 0.00 33.22 32.39 1sqq n MET 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1sqq n ASP 44 N 0.99 0.00 0.00 7.83 10.43 -1.26 -2.28 116.55 132.27 1sqq n ASP 44 Ca 0.23 0.43 0.00 0.00 2.57 0.00 0.00 54.79 58.02 1sqq n ASP 44 Cb 0.55 -0.45 0.00 0.00 1.84 0.00 0.00 41.12 43.05 1sqq n ASP 44 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1sqq n TYR 45 N -1.45 0.00 -4.50 1.24 0.53 -1.26 -4.87 117.16 106.85 1sqq n TYR 45 Ca 0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.56 1sqq n TYR 45 Cb 0.08 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.29 1sqq n TYR 45 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1sqq s VAL 46 N -0.02 3.94 0.36 -0.72 1.01 -0.96 -5.10 120.40 118.91 1sqq s VAL 46 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1sqq s VAL 46 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 1sqq s VAL 46 CO 0.00 0.57 0.03 0.00 0.00 0.00 0.00 175.10 175.69 1sqq s ALA 47 N -0.87 2.73 0.10 5.51 0.00 -1.26 -2.54 121.76 125.43 1sqq s ALA 47 Ca 0.14 -2.16 -0.15 0.00 0.00 0.00 0.00 51.96 49.78 1sqq s ALA 47 Cb -0.11 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 1sqq s ALA 47 CO 0.03 -0.20 1.45 1.88 0.00 0.00 0.00 175.76 178.92 1sqq h TYR 48 N 1.97 0.80 -0.19 0.00 -1.99 -1.53 -1.12 116.97 114.91 1sqq h TYR 48 Ca -0.42 -0.22 0.03 0.00 2.00 0.00 0.00 58.73 60.13 1sqq h TYR 48 Cb 1.24 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.76 1sqq h TYR 48 CO 0.66 0.93 -0.06 -2.13 -0.00 0.00 0.00 178.16 177.56 1sqq n ARG 49 N -4.32 -0.03 0.21 4.88 0.63 0.68 -0.95 116.66 117.75 1sqq n ARG 49 Ca -0.03 0.30 0.15 0.00 -0.92 0.00 0.00 57.85 57.34 1sqq n ARG 49 Cb 0.42 -0.44 0.66 0.00 0.45 0.00 0.00 32.46 33.55 1sqq n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1sqq h HIS 50 N 0.00 0.00 -0.00 -0.14 3.86 -1.47 -2.95 115.15 114.45 1sqq h HIS 50 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1sqq h HIS 50 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1sqq h HIS 50 CO -0.16 0.00 -0.02 1.28 0.86 0.00 0.00 177.93 179.89 1sqq n LEU 51 N -2.59 0.09 -0.11 2.43 4.77 -0.13 -4.52 117.00 116.94 1sqq n LEU 51 Ca 0.00 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1sqq n LEU 51 Cb 0.19 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 1sqq n LEU 51 CO 0.20 0.02 -1.24 0.52 -1.33 0.00 0.00 177.39 175.56 1sqq n VAL 52 N -1.22 1.46 -0.35 4.08 0.31 -1.11 -2.16 118.33 119.33 1sqq n VAL 52 Ca 0.15 -0.69 0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1sqq n VAL 52 Cb 0.24 -1.04 0.32 0.00 -0.91 0.00 0.00 33.84 32.45 1sqq n VAL 52 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sqq h GLY 53 N 2.79 1.79 0.00 2.92 0.00 -1.81 -3.41 103.07 105.36 1sqq h GLY 53 Ca -0.56 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1sqq h GLY 53 CO -0.03 -0.06 0.00 -0.62 0.00 0.00 0.00 176.54 175.82 1sqq n VAL 54 N -4.77 0.00 0.06 4.60 0.31 -1.01 -4.75 118.33 112.77 1sqq n VAL 54 Ca 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.53 1sqq n VAL 54 Cb 0.57 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 32.74 1sqq n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqq n TYR 56 N -3.75 -3.45 -4.00 0.00 4.01 -0.92 -4.97 117.16 104.08 1sqq n TYR 56 Ca -0.03 -0.73 -0.22 0.00 -0.16 0.00 0.00 57.90 56.77 1sqq n TYR 56 Cb 0.08 -0.39 -0.05 0.00 -0.31 0.00 0.00 39.34 38.68 1sqq n TYR 56 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1sqq s THR 57 N -1.66 3.65 0.27 -0.72 2.01 -1.26 -4.71 115.64 113.22 1sqq s THR 57 Ca 0.32 -1.51 -0.08 0.00 0.31 0.00 0.00 61.69 60.73 1sqq s THR 57 Cb -0.01 -3.16 0.44 0.00 0.01 0.00 0.00 72.50 69.77 1sqq s THR 57 CO 0.22 -0.24 1.57 -0.08 -0.69 0.00 0.00 174.62 175.39 1sqq h GLU 58 N 1.44 0.00 -0.11 4.92 4.81 -1.97 -2.30 114.58 121.37 1sqq h GLU 58 Ca -0.45 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1sqq h GLU 58 Cb 1.25 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1sqq h GLU 58 CO 0.60 0.00 0.03 -0.44 -0.73 0.00 0.00 179.01 178.47 1sqq h ASP 59 N 0.00 0.16 -0.36 1.04 3.32 -2.00 -3.03 116.42 115.56 1sqq h ASP 59 Ca 0.47 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1sqq h ASP 59 Cb 0.71 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1sqq h ASP 59 CO -1.00 0.34 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.48 1sqq h GLU 60 N -0.03 0.77 -0.19 3.56 5.08 -1.94 -1.54 114.58 120.30 1sqq h GLU 60 Ca 0.03 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 1sqq h GLU 60 Cb 0.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1sqq h GLU 60 CO -0.00 0.81 -0.42 0.00 -1.00 0.00 0.00 179.01 178.40 1sqq h ALA 61 N 1.23 0.30 -0.93 3.43 0.00 -1.43 0.12 119.26 121.99 1sqq h ALA 61 Ca 0.13 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1sqq h ALA 61 Cb 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1sqq h ALA 61 CO 0.03 0.42 0.61 -0.22 0.00 0.00 0.00 179.25 180.09 1sqq h LYS 62 N 0.29 1.12 -0.47 0.00 3.64 -1.47 -1.78 116.57 117.90 1sqq h LYS 62 Ca 0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1sqq h LYS 62 Cb 1.03 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1sqq h LYS 62 CO 0.09 0.74 0.11 0.00 -2.27 0.00 0.00 179.45 178.13 1sqq h ALA 63 N 1.46 1.33 0.00 5.00 0.00 -0.63 -2.17 119.26 124.25 1sqq h ALA 63 Ca 0.37 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 63 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1sqq h ALA 63 CO -0.12 0.48 -0.58 -0.07 0.00 0.00 0.00 179.25 178.96 1sqq h LEU 64 N 0.68 0.00 -0.50 0.00 3.38 -0.37 -3.17 115.31 115.33 1sqq h LEU 64 Ca 0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1sqq h LEU 64 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1sqq h LEU 64 CO -0.00 0.58 -0.73 0.00 0.09 0.00 0.00 178.44 178.37 1sqq h ALA 65 N 1.42 0.73 0.00 1.53 0.00 -0.84 -3.25 119.26 118.84 1sqq h ALA 65 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1sqq h ALA 65 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sqq h ALA 65 CO 0.08 0.85 0.00 0.39 0.00 0.00 0.00 179.25 180.56 1sqq n GLU 66 N -3.74 0.00 -0.12 0.00 4.71 -0.86 -2.91 120.64 117.72 1sqq n GLU 66 Ca -0.02 0.34 0.10 0.00 -0.01 0.00 0.00 57.16 57.58 1sqq n GLU 66 Cb 0.71 -1.50 0.31 0.00 -1.01 0.00 0.00 31.44 29.95 1sqq n GLU 66 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1sqq n GLU 67 N -1.49 1.97 -4.38 3.49 1.02 -1.23 -4.80 120.64 115.21 1sqq n GLU 67 Ca 0.02 -1.46 -0.29 0.00 -0.02 0.00 0.00 57.16 55.41 1sqq n GLU 67 Cb 0.10 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1sqq n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sqq s VAL 68 N -1.67 2.32 0.41 2.62 1.01 -1.15 -5.14 120.40 118.80 1sqq s VAL 68 Ca 0.33 -1.74 -0.21 0.00 0.00 0.00 0.00 61.98 60.36 1sqq s VAL 68 Cb 0.18 -2.03 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 1sqq s VAL 68 CO 0.27 0.09 0.94 -1.61 0.00 0.00 0.00 175.10 174.78 1sqq s GLU 69 N -2.08 4.26 -0.09 2.72 8.01 -1.26 -4.26 118.70 126.00 1sqq s GLU 69 Ca 0.15 1.12 -0.00 0.00 0.01 0.00 0.00 54.97 56.25 1sqq s GLU 69 Cb -0.10 -2.27 -0.06 0.00 -4.31 0.00 0.00 34.13 27.39 1sqq s GLU 69 CO 0.07 0.02 -0.09 0.28 0.01 0.00 0.00 175.26 175.55 1sqq n VAL 70 N -0.47 0.52 -1.63 2.63 0.31 -1.16 -4.94 118.33 113.59 1sqq n VAL 70 Ca 0.06 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1sqq n VAL 70 Cb 0.53 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1sqq n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqq n GLN 71 N -2.90 -4.11 -3.98 5.55 6.02 -1.26 -4.98 117.38 111.72 1sqq n GLN 71 Ca -0.17 3.04 -0.22 0.00 -0.01 0.00 0.00 57.00 59.64 1sqq n GLN 71 Cb 0.66 -3.14 -0.05 0.00 1.02 0.00 0.00 30.24 28.74 1sqq n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sqq s ASP 72 N -0.50 5.14 0.83 1.08 -1.08 0.73 -4.79 116.67 118.08 1sqq s ASP 72 Ca 0.00 -0.52 -0.12 0.00 -0.52 0.00 0.00 52.55 51.39 1sqq s ASP 72 Cb 0.00 -0.99 0.09 0.00 -1.46 0.00 0.00 42.92 40.56 1sqq s ASP 72 CO 0.00 -0.25 1.14 -0.83 0.52 0.00 0.00 175.17 175.75 1sqq s GLY 73 N -3.90 1.60 0.10 2.66 0.00 -1.26 -3.61 107.32 102.90 1sqq s GLY 73 Ca 0.38 -0.47 -0.31 0.00 0.00 0.00 0.00 44.72 44.32 1sqq s GLY 73 CO 0.25 0.02 1.37 2.56 0.00 0.00 0.00 173.10 177.30 1sqq s PRO 74 N -5.35 4.33 0.00 2.90 0.04 -1.26 -4.58 135.00 131.08 1sqq s PRO 74 Ca 0.62 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1sqq s PRO 74 Cb -0.13 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1sqq s PRO 74 CO 0.52 -0.43 0.00 -1.71 0.04 0.00 0.00 177.00 175.42 1sqq n ASN 75 N 4.05 0.00 -0.08 6.66 2.85 -1.26 -4.97 115.26 122.51 1sqq n ASN 75 Ca 0.11 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.62 1sqq n ASN 75 Cb 0.43 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.50 1sqq n ASN 75 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1sqq n GLU 76 N 0.00 1.66 0.16 1.20 2.13 -1.26 -1.53 120.64 122.99 1sqq n GLU 76 Ca 0.00 -1.78 0.12 0.00 0.66 0.00 0.00 57.16 56.15 1sqq n GLU 76 Cb 0.00 -1.10 0.11 0.00 0.27 0.00 0.00 31.44 30.72 1sqq n GLU 76 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1sqq h ASP 77 N 0.00 0.00 0.00 4.31 5.19 -2.05 -3.50 116.42 120.38 1sqq h ASP 77 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1sqq h ASP 77 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1sqq h ASP 77 CO 0.00 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 1sqq n GLY 78 N 1.16 0.89 0.77 2.75 0.00 -0.58 -5.09 105.19 105.10 1sqq n GLY 78 Ca 0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1sqq n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sqq n GLU 79 N 0.00 0.16 -2.86 1.61 4.71 -1.17 -5.05 120.64 118.03 1sqq n GLU 79 Ca 0.00 0.07 -0.03 0.00 -0.01 0.00 0.00 57.16 57.19 1sqq n GLU 79 Cb 0.00 -0.76 -0.02 0.00 -1.01 0.00 0.00 31.44 29.64 1sqq n GLU 79 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1sqq n MET 80 N -3.51 -2.79 -1.32 3.49 0.00 -1.26 -5.02 117.12 106.70 1sqq n MET 80 Ca -0.11 2.27 -0.29 0.00 0.00 0.00 0.00 57.70 59.57 1sqq n MET 80 Cb 0.42 -2.95 0.16 0.00 0.00 0.00 0.00 33.22 30.84 1sqq n MET 80 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1sqq s PHE 81 N -0.47 2.28 -0.07 2.03 -0.12 -1.24 -4.90 117.98 115.49 1sqq s PHE 81 Ca -0.13 0.94 0.05 0.00 -0.05 0.00 0.00 56.93 57.74 1sqq s PHE 81 Cb 0.01 -3.31 -0.01 0.00 -0.63 0.00 0.00 43.02 39.08 1sqq s PHE 81 CO 0.39 -2.66 -0.23 -1.64 -0.05 0.00 0.00 175.22 171.02 1sqq s MET 82 N -5.09 2.72 0.01 1.99 -1.94 -1.26 -0.19 119.30 115.53 1sqq s MET 82 Ca 0.65 -0.87 0.08 0.00 -1.71 0.00 0.00 55.69 53.83 1sqq s MET 82 Cb -0.17 -2.24 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 1sqq s MET 82 CO 0.56 0.33 -0.24 1.03 -0.01 0.00 0.00 175.02 176.69 1sqq s ARG 83 N -0.04 1.81 0.22 2.03 1.81 -1.26 -4.87 118.95 118.65 1sqq s ARG 83 Ca -0.07 -0.93 -0.08 0.00 -1.72 0.00 0.00 55.73 52.93 1sqq s ARG 83 Cb -0.15 -1.84 0.25 0.00 -0.45 0.00 0.00 34.95 32.77 1sqq s ARG 83 CO 0.05 0.49 1.85 -1.00 -0.68 0.00 0.00 175.30 176.01 1sqq h PRO 84 N 5.26 0.88 0.00 3.54 0.13 -1.88 -3.06 132.00 136.87 1sqq h PRO 84 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1sqq h PRO 84 Cb 1.14 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1sqq h PRO 84 CO 0.46 0.58 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1sqq n GLY 85 N -1.31 -1.35 0.00 1.56 0.00 -1.26 -3.89 105.19 98.93 1sqq n GLY 85 Ca 0.10 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1sqq n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqq n LYS 86 N -1.25 0.00 -0.42 1.61 5.02 -1.26 -3.75 118.16 118.10 1sqq n LYS 86 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1sqq n LYS 86 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1sqq n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sqq n LEU 87 N 0.00 0.40 0.09 -0.35 4.77 -1.26 -4.71 117.00 115.93 1sqq n LEU 87 Ca 0.00 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1sqq n LEU 87 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1sqq n LEU 87 CO 0.00 0.33 0.00 -1.20 -1.33 0.00 0.00 177.39 175.19 1sqq n SER 88 N -0.24 -0.82 -0.06 -1.43 7.64 -1.26 -0.23 113.62 117.22 1sqq n SER 88 Ca 0.03 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1sqq n SER 88 Cb 0.69 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1sqq n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sqq n ASP 89 N -2.99 0.00 -4.77 6.43 8.00 -1.26 -4.95 116.55 117.02 1sqq n ASP 89 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1sqq n ASP 89 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 1sqq n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sqq s TYR 90 N 0.00 2.59 0.11 1.24 4.12 -1.26 -3.28 117.35 120.87 1sqq s TYR 90 Ca 0.00 1.52 -0.16 0.00 0.02 0.00 0.00 57.07 58.46 1sqq s TYR 90 Cb 0.00 -3.05 0.03 0.00 -1.52 0.00 0.00 41.96 37.42 1sqq s TYR 90 CO 0.00 -1.81 0.93 1.19 0.02 0.00 0.00 175.55 175.87 1sqq n PHE 91 N -3.53 -0.16 0.00 2.71 3.01 -1.05 -4.94 117.46 113.50 1sqq n PHE 91 Ca 0.09 0.75 0.00 0.00 1.01 0.00 0.00 57.45 59.29 1sqq n PHE 91 Cb 0.53 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1sqq n PHE 91 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1sqq n PRO 92 N -4.80 0.00 -1.20 -1.08 -0.02 -1.26 -4.97 135.00 121.67 1sqq n PRO 92 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1sqq n PRO 92 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 1sqq n PRO 92 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sqq n LYS 93 N 0.29 0.00 -0.30 -0.52 5.02 -1.26 -5.00 118.16 116.39 1sqq n LYS 93 Ca 0.00 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.83 1sqq n LYS 93 Cb 0.00 -1.12 0.27 0.00 -0.02 0.00 0.00 35.03 34.16 1sqq n LYS 93 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1sqq n PRO 94 N -0.33 -0.07 -4.74 1.97 -0.01 -1.26 -4.78 135.00 125.77 1sqq n PRO 94 Ca 0.00 1.30 -0.26 0.00 -0.01 0.00 0.00 63.50 64.53 1sqq n PRO 94 Cb 0.00 -2.09 -0.17 0.00 -0.01 0.00 0.00 33.50 31.24 1sqq n PRO 94 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 175.50 176.20 1sqq s TYR 95 N -5.81 1.72 0.08 6.00 1.51 -1.26 -5.03 117.35 114.56 1sqq s TYR 95 Ca -0.11 -0.65 0.08 0.00 -1.01 0.00 0.00 57.07 55.38 1sqq s TYR 95 Cb 0.26 -1.22 -0.22 0.00 -0.11 0.00 0.00 41.96 40.67 1sqq s TYR 95 CO 0.68 -0.30 1.14 -1.00 -1.11 0.00 0.00 175.55 174.96 1sqq h PRO 96 N 6.88 0.00 -6.00 -1.71 0.13 -1.97 -3.46 132.00 125.87 1sqq h PRO 96 Ca -0.28 -0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.18 1sqq h PRO 96 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1sqq h PRO 96 CO 0.47 0.89 -0.59 -0.80 -0.23 0.00 0.00 178.00 177.75 1sqq s ASN 97 N -6.58 5.58 0.35 1.44 0.02 -1.26 -5.04 114.94 109.45 1sqq s ASN 97 Ca -0.00 0.15 0.07 0.00 -1.02 0.00 0.00 52.86 52.06 1sqq s ASN 97 Cb 0.10 -1.59 0.67 0.00 0.02 0.00 0.00 41.25 40.44 1sqq s ASN 97 CO 0.82 0.30 1.86 -0.65 0.02 0.00 0.00 177.10 179.45 1sqq h PRO 98 N 4.34 0.32 0.00 -0.60 0.11 -2.02 -2.76 132.00 131.38 1sqq h PRO 98 Ca -0.50 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.46 1sqq h PRO 98 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1sqq h PRO 98 CO 0.60 0.47 -0.33 1.05 -0.21 0.00 0.00 178.00 179.59 1sqq h GLU 99 N 0.29 0.00 0.00 1.05 9.09 -2.00 -3.06 114.58 119.95 1sqq h GLU 99 Ca 0.06 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.41 1sqq h GLU 99 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 1sqq h GLU 99 CO 0.03 0.33 -0.28 0.00 0.05 0.00 0.00 179.01 179.14 1sqq h ALA 100 N 1.67 1.08 -0.60 1.06 0.00 -1.91 -2.47 119.26 118.09 1sqq h ALA 100 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sqq h ALA 100 Cb 0.69 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1sqq h ALA 100 CO 0.04 0.35 0.38 0.00 0.00 0.00 0.00 179.25 180.02 1sqq h ALA 101 N 1.72 1.53 0.08 0.00 0.00 -1.42 -3.19 119.26 117.99 1sqq h ALA 101 Ca -0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1sqq h ALA 101 Cb 0.73 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.30 1sqq h ALA 101 CO 0.04 0.42 -1.14 0.00 0.00 0.00 0.00 179.25 178.56 1sqq h ARG 102 N 0.82 0.62 0.00 0.00 3.08 -1.54 -2.28 114.38 115.08 1sqq h ARG 102 Ca 0.22 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1sqq h ARG 102 Cb -0.06 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1sqq h ARG 102 CO -0.04 1.35 0.00 0.00 -1.07 0.00 0.00 179.97 180.20 1sqq n ALA 103 N -2.67 2.00 0.05 0.04 0.00 -1.13 -0.47 120.51 118.34 1sqq n ALA 103 Ca -0.13 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1sqq n ALA 103 Cb 0.94 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1sqq n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqq h ALA 104 N 2.45 -0.73 -1.05 0.00 0.00 -1.60 -3.46 119.26 114.86 1sqq h ALA 104 Ca 0.00 -0.03 -0.76 0.00 0.00 0.00 0.00 54.91 54.11 1sqq h ALA 104 Cb 0.55 0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.11 1sqq h ALA 104 CO 0.00 -0.72 0.98 0.09 0.00 0.00 0.00 179.25 179.60 1sqq n ASN 105 N -2.50 7.38 -3.82 0.00 3.02 0.38 -4.92 115.26 114.80 1sqq n ASN 105 Ca -0.02 -3.82 -0.42 0.00 -0.03 0.00 0.00 54.58 50.29 1sqq n ASN 105 Cb 0.05 -1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 38.15 1sqq n ASN 105 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sqq n ASN 106 N -0.49 -1.04 0.00 6.41 2.85 -1.22 -3.87 115.26 117.89 1sqq n ASN 106 Ca 0.53 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.98 1sqq n ASN 106 Cb 0.25 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.45 1sqq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sqq n GLY 107 N 1.72 2.57 2.95 8.20 0.00 -1.24 -4.96 105.19 114.43 1sqq n GLY 107 Ca 0.16 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1sqq n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq s ALA 108 N 0.00 0.85 -0.34 4.61 0.00 -1.25 -4.83 121.76 120.80 1sqq s ALA 108 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.49 1sqq s ALA 108 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1sqq s ALA 108 CO 0.00 0.06 0.99 -0.51 0.00 0.00 0.00 175.76 176.30 1sqq s LEU 109 N 0.67 3.96 0.29 0.00 1.43 -1.26 -3.79 118.68 119.97 1sqq s LEU 109 Ca -0.11 0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 53.51 1sqq s LEU 109 Cb -0.13 -3.39 -0.14 0.00 0.03 0.00 0.00 46.19 42.56 1sqq s LEU 109 CO 0.01 -0.86 1.13 -2.65 0.23 0.00 0.00 176.35 174.21 1sqq n PRO 110 N 6.81 1.60 -0.75 1.29 -0.02 -1.26 -5.05 135.00 137.62 1sqq n PRO 110 Ca 0.09 0.56 -0.23 0.00 -2.02 0.00 0.00 63.50 61.90 1sqq n PRO 110 Cb 0.48 -2.02 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1sqq n PRO 110 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sqq n PRO 111 N 0.89 0.00 -1.98 0.52 -0.02 -1.26 -5.01 135.00 128.14 1sqq n PRO 111 Ca 0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 1sqq n PRO 111 Cb 0.32 -0.60 -0.02 0.00 -0.02 0.00 0.00 33.50 33.19 1sqq n PRO 111 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sqq s ASP 112 N -0.60 6.61 -0.18 2.55 -1.08 -1.26 -4.01 116.67 118.69 1sqq s ASP 112 Ca 0.34 2.73 0.17 0.00 -0.52 0.00 0.00 52.55 55.27 1sqq s ASP 112 Cb -0.30 -2.63 -0.24 0.00 -1.46 0.00 0.00 42.92 38.29 1sqq s ASP 112 CO 0.39 -0.72 0.12 -0.11 0.52 0.00 0.00 175.17 175.37 1sqq n LEU 113 N 2.06 0.22 -0.28 -1.34 7.94 -0.09 -4.47 117.00 121.05 1sqq n LEU 113 Ca 0.06 0.04 0.22 0.00 -1.11 0.00 0.00 56.01 55.22 1sqq n LEU 113 Cb 0.40 0.40 0.42 0.00 0.53 0.00 0.00 43.42 45.17 1sqq n LEU 113 CO 0.61 0.51 0.83 -1.54 -1.11 0.00 0.00 177.39 176.69 1sqq n SER 114 N -2.81 0.17 -1.22 1.96 3.41 -1.24 -1.31 113.62 112.58 1sqq n SER 114 Ca -0.32 1.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.81 1sqq n SER 114 Cb 1.14 -0.64 0.29 0.00 -0.26 0.00 0.00 64.21 64.74 1sqq n SER 114 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1sqq n TYR 115 N -5.03 1.03 0.23 7.33 0.53 -1.26 -3.14 117.16 116.84 1sqq n TYR 115 Ca 0.28 -0.57 0.09 0.00 -1.02 0.00 0.00 57.90 56.68 1sqq n TYR 115 Cb 0.95 -0.12 0.52 0.00 -1.03 0.00 0.00 39.34 39.66 1sqq n TYR 115 CO 0.00 0.00 0.00 0.82 -1.02 0.00 0.00 176.86 176.66 1sqq h ILE 116 N 3.44 0.75 0.07 -0.72 1.08 -1.44 -2.86 117.51 117.82 1sqq h ILE 116 Ca 0.00 -1.00 -0.29 0.00 -0.39 0.00 0.00 64.86 63.18 1sqq h ILE 116 Cb 1.13 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 36.48 1sqq h ILE 116 CO 0.10 0.23 -1.53 0.58 -0.69 0.00 0.00 178.15 176.84 1sqq h VAL 117 N 0.00 1.12 0.00 1.67 2.07 -1.84 -2.84 116.25 116.43 1sqq h VAL 117 Ca -0.00 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1sqq h VAL 117 Cb 0.60 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1sqq h VAL 117 CO 0.03 0.76 0.00 0.54 0.02 0.00 0.00 177.57 178.92 1sqq n ARG 118 N -3.33 0.27 -0.03 1.57 1.74 -1.09 -4.07 116.66 111.72 1sqq n ARG 118 Ca -0.15 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1sqq n ARG 118 Cb 1.03 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 31.05 1sqq n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqq n ALA 119 N -1.36 2.44 -0.04 7.54 0.00 -1.08 -4.85 120.51 123.17 1sqq n ALA 119 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1sqq n ALA 119 Cb 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1sqq n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1sqq n ARG 120 N 0.78 0.00 0.00 0.00 3.00 -1.19 -5.06 116.66 114.19 1sqq n ARG 120 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1sqq n ARG 120 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.57 1sqq n ARG 120 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1sqq n HIS 121 N -2.45 0.00 -2.52 -0.14 8.25 -1.26 -5.00 115.22 112.10 1sqq n HIS 121 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1sqq n HIS 121 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1sqq n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqq n GLY 122 N 0.00 -0.45 0.17 -1.41 0.00 -1.26 -4.21 105.19 98.03 1sqq n GLY 122 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1sqq n GLY 122 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sqq h GLY 123 N -0.32 0.54 1.72 -0.02 0.00 -1.95 0.10 103.07 103.15 1sqq h GLY 123 Ca -0.48 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.46 1sqq h GLY 123 CO 0.55 0.28 -0.37 1.05 0.00 0.00 0.00 176.54 178.05 1sqq h GLU 124 N 0.40 0.31 -0.52 4.80 4.11 -1.85 -3.08 114.58 118.75 1sqq h GLU 124 Ca 0.11 -0.14 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 1sqq h GLU 124 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1sqq h GLU 124 CO -0.01 0.64 -0.06 -0.44 0.07 0.00 0.00 179.01 179.21 1sqq h ASP 125 N 0.27 0.91 -0.80 3.06 3.45 -1.12 0.21 116.42 122.40 1sqq h ASP 125 Ca 0.03 -0.26 0.07 0.00 0.43 0.00 0.00 57.03 57.29 1sqq h ASP 125 Cb 0.78 -0.24 -0.06 0.00 -0.56 0.00 0.00 39.33 39.24 1sqq h ASP 125 CO 0.06 1.00 0.47 0.22 -1.57 0.00 0.00 179.24 179.42 1sqq h TYR 126 N 0.84 0.87 -0.07 4.55 3.20 -1.56 0.44 116.97 125.25 1sqq h TYR 126 Ca 0.14 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1sqq h TYR 126 Cb 0.58 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1sqq h TYR 126 CO 0.03 0.41 0.02 0.28 -1.64 0.00 0.00 178.16 177.27 1sqq h VAL 127 N 0.85 1.18 -0.54 1.81 2.07 -1.38 -1.65 116.25 118.59 1sqq h VAL 127 Ca 0.36 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1sqq h VAL 127 Cb 0.22 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1sqq h VAL 127 CO -0.19 0.15 0.28 0.15 0.02 0.00 0.00 177.57 177.98 1sqq h PHE 128 N -0.09 0.51 -0.46 1.57 3.57 -0.12 -2.33 116.94 119.57 1sqq h PHE 128 Ca 0.02 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1sqq h PHE 128 Cb 0.23 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1sqq h PHE 128 CO -0.00 0.24 0.04 0.77 -2.23 0.00 0.00 178.31 177.13 1sqq h SER 129 N 0.53 0.76 -0.31 0.41 0.02 -0.17 -1.08 113.55 113.72 1sqq h SER 129 Ca 0.24 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1sqq h SER 129 Cb 0.15 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1sqq h SER 129 CO -0.17 0.86 -0.07 0.25 -1.14 0.00 0.00 176.83 176.55 1sqq h LEU 130 N 0.64 0.68 -0.03 5.07 5.85 -1.12 0.35 115.31 126.76 1sqq h LEU 130 Ca 0.14 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1sqq h LEU 130 Cb 0.44 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1sqq h LEU 130 CO 0.02 0.80 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.84 1sqq h LEU 131 N 0.65 0.06 -0.04 2.25 3.38 -1.44 -3.35 115.31 116.82 1sqq h LEU 131 Ca 0.12 -0.40 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 1sqq h LEU 131 Cb 0.51 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1sqq h LEU 131 CO 0.03 0.45 -0.66 0.74 0.09 0.00 0.00 178.44 179.09 1sqq h THR 132 N -0.32 1.37 -0.63 0.22 2.02 -0.84 -3.36 112.91 111.38 1sqq h THR 132 Ca 0.01 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.17 1sqq h THR 132 Cb 0.42 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1sqq h THR 132 CO 0.00 0.60 0.00 0.61 0.37 0.00 0.00 175.52 177.11 1sqq n GLY 133 N 0.93 2.80 2.40 2.16 0.00 0.12 -4.92 105.19 108.69 1sqq n GLY 133 Ca -0.10 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1sqq n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sqq n TYR 134 N 1.07 0.85 -1.31 1.61 4.02 -1.26 -4.55 117.16 117.60 1sqq n TYR 134 Ca 0.25 0.73 0.00 0.00 -0.01 0.00 0.00 57.90 58.87 1sqq n TYR 134 Cb 0.85 -1.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.73 1sqq n TYR 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sqq s GLU 136 N 1.89 1.83 0.21 0.00 8.01 -1.26 -4.67 118.70 124.71 1sqq s GLU 136 Ca 0.00 -0.47 -0.32 0.00 0.01 0.00 0.00 54.97 54.19 1sqq s GLU 136 Cb 0.00 -1.50 -0.13 0.00 -4.31 0.00 0.00 34.13 28.19 1sqq s GLU 136 CO 0.00 0.06 1.57 -2.30 0.01 0.00 0.00 175.26 174.59 1sqq n PRO 137 N 3.74 2.32 -1.65 0.39 -0.02 -1.26 -4.96 135.00 133.57 1sqq n PRO 137 Ca -0.22 0.83 -0.60 0.00 -2.02 0.00 0.00 63.50 61.49 1sqq n PRO 137 Cb 0.52 -2.59 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1sqq n PRO 137 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sqq n PRO 138 N 2.97 0.54 -0.76 0.52 -0.02 -1.26 -4.95 135.00 132.04 1sqq n PRO 138 Ca 0.14 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1sqq n PRO 138 Cb 0.32 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1sqq n PRO 138 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sqq n THR 139 N 3.26 0.00 0.00 3.45 -2.24 -1.26 -3.80 114.28 113.69 1sqq n THR 139 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1sqq n THR 139 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1sqq n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqq n GLY 140 N 0.11 0.85 3.62 3.38 0.00 -1.26 -5.00 105.19 106.89 1sqq n GLY 140 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sqq n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqq s VAL 141 N -0.61 3.73 0.25 1.61 -7.23 -1.25 -5.08 120.40 111.83 1sqq s VAL 141 Ca 0.00 0.81 -0.28 0.00 -1.81 0.00 0.00 61.98 60.69 1sqq s VAL 141 Cb 0.00 -3.81 -0.15 0.00 0.56 0.00 0.00 36.38 32.98 1sqq s VAL 141 CO 0.00 -0.39 0.82 -1.54 -0.31 0.00 0.00 175.10 173.68 1sqq n SER 142 N 8.72 0.28 -3.71 4.85 3.41 -1.26 -4.75 113.62 121.16 1sqq n SER 142 Ca 0.19 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.96 1sqq n SER 142 Cb 0.46 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1sqq n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqq n LEU 143 N 1.55 0.00 -0.11 1.04 -0.00 -1.26 -5.05 117.00 113.17 1sqq n LEU 143 Ca 0.13 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.95 1sqq n LEU 143 Cb 0.29 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.62 1sqq n LEU 143 CO 0.58 -0.03 -1.25 -1.14 -0.00 0.00 0.00 177.39 175.56 1sqq n ARG 144 N 0.00 0.52 -4.04 1.47 0.63 -1.11 -5.00 116.66 109.12 1sqq n ARG 144 Ca 0.00 0.16 -0.31 0.00 -0.92 0.00 0.00 57.85 56.79 1sqq n ARG 144 Cb 0.00 -1.39 -0.01 0.00 0.45 0.00 0.00 32.46 31.51 1sqq n ARG 144 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sqq n GLU 145 N -3.51 -3.81 -0.10 -0.14 1.02 -1.26 -4.81 120.64 108.03 1sqq n GLU 145 Ca -0.41 0.44 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 1sqq n GLU 145 Cb 0.87 -5.00 -0.10 0.00 -0.02 0.00 0.00 31.44 27.19 1sqq n GLU 145 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1sqq h GLY 146 N -1.76 0.00 -7.33 0.62 0.00 -1.96 -3.47 103.07 89.18 1sqq h GLY 146 Ca -0.60 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.25 1sqq h GLY 146 CO 0.70 0.00 1.16 1.08 0.00 0.00 0.00 176.54 179.48 1sqq s LEU 147 N -7.96 3.26 1.18 3.11 1.43 -1.26 -4.61 118.68 113.83 1sqq s LEU 147 Ca -0.26 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.26 1sqq s LEU 147 Cb 0.04 -2.55 0.21 0.00 0.03 0.00 0.00 46.19 43.93 1sqq s LEU 147 CO 0.55 -2.18 0.43 -1.22 0.23 0.00 0.00 176.35 174.16 1sqq n TYR 148 N 11.52 -2.14 -4.09 0.29 4.01 0.55 -2.76 117.16 124.54 1sqq n TYR 148 Ca 0.23 -0.15 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 1sqq n TYR 148 Cb 0.50 -1.49 -0.14 0.00 -0.31 0.00 0.00 39.34 37.90 1sqq n TYR 148 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1sqq s PHE 149 N -2.19 2.96 -0.02 -0.72 5.36 -1.26 -2.58 117.98 119.52 1sqq s PHE 149 Ca 0.55 -0.76 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1sqq s PHE 149 Cb -0.13 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1sqq s PHE 149 CO 0.55 -0.41 -0.07 1.21 -1.46 0.00 0.00 175.22 175.04 1sqq s ASN 150 N 1.17 1.03 0.11 6.13 3.84 -1.23 -4.13 114.94 121.84 1sqq s ASN 150 Ca 0.02 -0.16 0.04 0.00 0.21 0.00 0.00 52.86 52.98 1sqq s ASN 150 Cb -0.14 -0.29 -0.23 0.00 -0.55 0.00 0.00 41.25 40.04 1sqq s ASN 150 CO -0.01 0.04 1.24 1.55 -2.79 0.00 0.00 177.10 177.14 1sqq h PRO 151 N 6.45 0.06 -2.73 0.43 0.13 -1.90 -3.28 132.00 131.17 1sqq h PRO 151 Ca -0.33 -0.10 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 1sqq h PRO 151 Cb 1.17 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1sqq h PRO 151 CO 0.49 1.05 2.81 0.66 -0.23 0.00 0.00 178.00 182.77 1sqq n TYR 152 N -3.39 2.25 -3.55 1.56 4.01 -1.26 -4.31 117.16 112.47 1sqq n TYR 152 Ca -0.02 -2.81 -0.18 0.00 -0.16 0.00 0.00 57.90 54.73 1sqq n TYR 152 Cb 0.96 -2.12 -0.14 0.00 -0.31 0.00 0.00 39.34 37.73 1sqq n TYR 152 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1sqq s PHE 153 N 0.65 -0.23 -0.27 -0.72 5.36 -1.24 -4.67 117.98 116.86 1sqq s PHE 153 Ca 0.63 0.32 -0.02 0.00 -0.96 0.00 0.00 56.93 56.90 1sqq s PHE 153 Cb 0.20 -0.34 -0.09 0.00 -0.34 0.00 0.00 43.02 42.45 1sqq s PHE 153 CO -0.08 -0.51 0.67 -2.30 -1.46 0.00 0.00 175.22 171.55 1sqq n PRO 154 N 5.32 0.00 0.00 10.12 -0.02 -1.26 -0.46 135.00 148.70 1sqq n PRO 154 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1sqq n PRO 154 Cb 0.50 -0.37 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 1sqq n PRO 154 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqq n GLY 155 N 1.92 3.56 4.66 -1.23 0.00 -1.26 -4.86 105.19 107.98 1sqq n GLY 155 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1sqq n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqq n GLN 156 N 0.00 0.00 -3.44 1.61 6.02 0.40 -4.11 117.38 117.85 1sqq n GLN 156 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1sqq n GLN 156 Cb 0.00 -3.84 -0.10 0.00 1.02 0.00 0.00 30.24 27.33 1sqq n GLN 156 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sqq s ALA 157 N -1.21 3.52 -0.05 -1.58 0.00 -1.26 -3.57 121.76 117.61 1sqq s ALA 157 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1sqq s ALA 157 Cb 0.00 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.44 1sqq s ALA 157 CO 0.00 -0.84 0.08 -1.50 0.00 0.00 0.00 175.76 173.51 1sqq s ILE 158 N 1.97 -0.12 -1.23 0.00 2.07 -1.07 -4.97 121.20 117.86 1sqq s ILE 158 Ca 0.11 0.33 0.21 0.00 -1.41 0.00 0.00 60.65 59.90 1sqq s ILE 158 Cb -0.16 -0.17 0.28 0.00 0.13 0.00 0.00 42.46 42.54 1sqq s ILE 158 CO 0.11 0.14 1.69 0.61 -1.91 0.00 0.00 174.94 175.57 1sqq n GLY 159 N 4.86 -1.11 1.74 1.50 0.00 -1.26 -0.33 105.19 110.59 1sqq n GLY 159 Ca -0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1sqq n GLY 159 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sqq n MET 160 N -1.39 0.52 0.00 1.61 0.00 -1.26 -4.86 117.12 111.74 1sqq n MET 160 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 57.70 56.48 1sqq n MET 160 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 33.22 33.21 1sqq n MET 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sqq n ALA 161 N -2.85 0.00 -1.38 -5.12 0.00 -1.26 -4.36 120.51 105.54 1sqq n ALA 161 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1sqq n ALA 161 Cb 0.27 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.85 1sqq n ALA 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sqq n PRO 162 N 0.00 2.44 -1.55 0.00 -0.05 -1.26 -4.94 135.00 129.64 1sqq n PRO 162 Ca 0.00 -3.25 -0.29 0.00 -0.05 0.00 0.00 63.50 59.92 1sqq n PRO 162 Cb 0.00 -2.16 -0.05 0.00 -0.05 0.00 0.00 33.50 31.25 1sqq n PRO 162 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 175.50 175.10 1sqq n PRO 163 N -1.03 2.51 0.00 0.54 -0.04 -1.26 -4.50 135.00 131.22 1sqq n PRO 163 Ca 0.55 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1sqq n PRO 163 Cb 1.15 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1sqq n PRO 163 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1sqq n ILE 164 N 0.76 0.00 0.06 0.52 2.08 -1.26 -4.54 119.36 116.98 1sqq n ILE 164 Ca 0.50 -0.29 0.03 0.00 0.56 0.00 0.00 62.75 63.54 1sqq n ILE 164 Cb 0.51 1.22 -0.04 0.00 -0.75 0.00 0.00 39.64 40.58 1sqq n ILE 164 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sqq n TYR 165 N -0.27 0.00 -0.37 1.39 -0.00 -1.26 -4.54 117.16 112.11 1sqq n TYR 165 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.85 1sqq n TYR 165 Cb 0.06 -0.10 -0.05 0.00 -0.00 0.00 0.00 39.34 39.24 1sqq n TYR 165 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1sqq n ASN 166 N -1.56 -0.40 -4.34 2.98 2.85 -1.26 -4.88 115.26 108.64 1sqq n ASN 166 Ca -0.01 -0.17 -0.42 0.00 -0.11 0.00 0.00 54.58 53.88 1sqq n ASN 166 Cb 0.13 -0.14 -0.09 0.00 1.24 0.00 0.00 39.78 40.92 1sqq n ASN 166 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1sqq s GLU 167 N 1.75 2.80 0.59 1.20 2.12 -1.26 -4.99 118.70 120.92 1sqq s GLU 167 Ca 0.30 -1.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.25 1sqq s GLU 167 Cb -0.19 -3.90 -0.01 0.00 0.26 0.00 0.00 34.13 30.29 1sqq s GLU 167 CO 0.13 -0.91 0.93 0.08 -0.54 0.00 0.00 175.26 174.96 1sqq s VAL 168 N 1.54 4.05 0.10 3.70 1.01 -1.26 -5.17 120.40 124.38 1sqq s VAL 168 Ca 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1sqq s VAL 168 Cb -0.22 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1sqq s VAL 168 CO 0.05 -0.69 0.05 -0.22 0.00 0.00 0.00 175.10 174.29 1sqq s LEU 169 N -5.04 1.97 -0.34 3.92 0.20 -1.26 -5.10 118.68 113.02 1sqq s LEU 169 Ca 0.53 -1.08 -0.07 0.00 0.69 0.00 0.00 54.13 54.20 1sqq s LEU 169 Cb -0.11 0.36 0.19 0.00 -0.43 0.00 0.00 46.19 46.20 1sqq s LEU 169 CO 0.48 -0.69 1.03 -0.70 -0.29 0.00 0.00 176.35 176.17 1sqq s GLU 170 N -3.99 0.25 0.00 1.98 2.12 -1.26 -5.08 118.70 112.72 1sqq s GLU 170 Ca 0.16 -0.14 0.15 0.00 0.36 0.00 0.00 54.97 55.51 1sqq s GLU 170 Cb 0.07 0.02 0.10 0.00 0.26 0.00 0.00 34.13 34.57 1sqq s GLU 170 CO -0.03 -0.34 0.95 1.19 -0.54 0.00 0.00 175.26 176.49 1sqq n PHE 171 N 3.44 0.00 0.00 5.30 0.99 -1.26 -4.91 117.46 121.02 1sqq n PHE 171 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1sqq n PHE 171 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.11 1sqq n PHE 171 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1sqq n ASP 172 N 0.65 0.00 -3.70 4.37 5.75 -1.26 -2.28 116.55 120.08 1sqq n ASP 172 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.57 1sqq n ASP 172 Cb 0.37 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.31 1sqq n ASP 172 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1sqq s ASP 173 N 0.00 3.78 0.00 -1.12 -4.77 -1.26 -5.09 116.67 108.21 1sqq s ASP 173 Ca 0.00 -1.45 0.00 0.00 -3.30 0.00 0.00 52.55 47.80 1sqq s ASP 173 Cb 0.00 -0.74 0.00 0.00 -1.09 0.00 0.00 42.92 41.09 1sqq s ASP 173 CO 0.00 -0.40 0.00 0.61 0.70 0.00 0.00 175.17 176.08 1sqq n GLY 174 N 4.94 3.69 0.00 2.12 0.00 -0.96 -5.08 105.19 109.91 1sqq n GLY 174 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1sqq n GLY 174 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sqq n THR 175 N 0.00 0.00 -2.29 2.61 -1.04 -1.26 -5.08 114.28 107.23 1sqq n THR 175 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1sqq n THR 175 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1sqq n THR 175 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1sqq s PRO 176 N 0.00 3.89 -0.73 -2.82 0.05 -1.26 -4.70 135.00 129.43 1sqq s PRO 176 Ca 0.00 1.46 0.03 0.00 0.05 0.00 0.00 61.00 62.54 1sqq s PRO 176 Cb 0.00 -3.94 0.33 0.00 0.05 0.00 0.00 34.50 30.95 1sqq s PRO 176 CO 0.00 -1.16 1.26 0.00 0.05 0.00 0.00 177.00 177.15 1sqq n ALA 177 N 7.89 5.18 -1.51 8.56 0.00 -1.26 -4.88 120.51 134.49 1sqq n ALA 177 Ca 0.16 -4.67 -0.30 0.00 0.00 0.00 0.00 53.44 48.64 1sqq n ALA 177 Cb 0.46 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.78 1sqq n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqq s THR 178 N -4.45 2.72 0.14 0.00 -4.23 -1.26 -4.64 115.64 103.92 1sqq s THR 178 Ca 0.46 0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 60.99 1sqq s THR 178 Cb 0.25 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1sqq s THR 178 CO -0.14 -0.31 1.66 -0.03 -0.54 0.00 0.00 174.62 175.27 1sqq h MET 179 N -1.26 -0.14 -0.85 3.99 4.05 -1.96 -0.36 114.93 118.41 1sqq h MET 179 Ca -0.48 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.11 1sqq h MET 179 Cb 1.29 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 32.02 1sqq h MET 179 CO 0.60 -0.09 0.41 0.77 0.23 0.00 0.00 176.91 178.82 1sqq h SER 180 N -0.14 0.45 0.10 1.39 0.02 -1.93 0.57 113.55 114.00 1sqq h SER 180 Ca 0.12 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1sqq h SER 180 Cb 0.33 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1sqq h SER 180 CO -0.30 0.15 -0.05 -0.61 -1.14 0.00 0.00 176.83 174.88 1sqq h GLN 181 N 0.55 -0.13 0.00 3.45 -0.00 -1.46 0.14 115.11 117.66 1sqq h GLN 181 Ca 0.48 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 1sqq h GLN 181 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.25 1sqq h GLN 181 CO -0.41 0.39 0.00 0.28 0.00 0.00 0.00 178.83 179.09 1sqq n VAL 182 N -4.85 0.00 -0.05 2.39 0.31 -0.55 -3.13 118.33 112.45 1sqq n VAL 182 Ca -0.08 0.21 -0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1sqq n VAL 182 Cb 0.29 -0.29 0.28 0.00 -0.91 0.00 0.00 33.84 33.21 1sqq n VAL 182 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqq h ALA 183 N -0.16 1.38 -0.42 3.52 0.00 0.87 0.10 119.26 124.55 1sqq h ALA 183 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1sqq h ALA 183 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1sqq h ALA 183 CO 0.00 0.45 0.21 -0.22 0.00 0.00 0.00 179.25 179.69 1sqq h LYS 184 N 0.64 0.41 -0.50 0.00 3.64 -0.91 -3.12 116.57 116.72 1sqq h LYS 184 Ca 0.15 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1sqq h LYS 184 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1sqq h LYS 184 CO -0.00 0.27 0.01 -0.44 -2.27 0.00 0.00 179.45 177.02 1sqq h ASP 185 N 0.42 0.86 -0.02 4.20 5.19 -0.75 -0.09 116.42 126.23 1sqq h ASP 185 Ca 0.18 -0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1sqq h ASP 185 Cb 0.10 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1sqq h ASP 185 CO -0.13 0.95 -0.11 0.58 -3.12 0.00 0.00 179.24 177.41 1sqq h VAL 186 N 0.74 0.72 -0.43 -1.35 2.07 -1.49 0.85 116.25 117.36 1sqq h VAL 186 Ca 0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 1sqq h VAL 186 Cb 0.50 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1sqq h VAL 186 CO 0.02 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.63 1sqq h THR 188 N 0.58 0.78 0.00 0.00 2.02 -0.64 0.29 112.91 115.95 1sqq h THR 188 Ca 0.12 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 1sqq h THR 188 Cb 0.46 1.16 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1sqq h THR 188 CO 0.02 0.07 -0.65 0.15 0.37 0.00 0.00 175.52 175.48 1sqq h PHE 189 N 0.00 0.65 0.00 3.16 3.57 -0.58 -3.37 116.94 120.37 1sqq h PHE 189 Ca -0.00 -0.36 -0.09 0.00 3.53 0.00 0.00 57.97 61.06 1sqq h PHE 189 Cb 0.15 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1sqq h PHE 189 CO 0.00 1.18 -0.41 1.25 -2.23 0.00 0.00 178.31 178.10 1sqq h LEU 190 N -0.07 0.00 -0.43 0.59 6.46 0.31 -1.27 115.31 120.90 1sqq h LEU 190 Ca -0.08 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1sqq h LEU 190 Cb 1.36 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.24 1sqq h LEU 190 CO 0.13 0.41 0.11 -0.09 -0.62 0.00 0.00 178.44 178.38 1sqq h ARG 191 N 0.00 0.25 -0.07 1.25 9.65 -0.83 -1.55 114.38 123.07 1sqq h ARG 191 Ca -0.00 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1sqq h ARG 191 Cb 0.97 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 1sqq h ARG 191 CO 0.05 0.16 -0.29 2.35 2.80 0.00 0.00 179.97 185.05 1sqq h TRP 192 N 0.26 0.15 0.00 2.20 7.01 -1.42 -1.02 115.95 123.12 1sqq h TRP 192 Ca 0.21 -0.03 -0.13 0.00 2.11 0.00 0.00 58.89 61.05 1sqq h TRP 192 Cb 0.23 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1sqq h TRP 192 CO -0.18 0.41 -0.61 0.00 -2.79 0.00 0.00 178.44 175.27 1sqq h ALA 193 N 1.59 0.75 -0.02 2.65 0.00 -1.12 -1.90 119.26 121.21 1sqq h ALA 193 Ca 0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1sqq h ALA 193 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1sqq h ALA 193 CO 0.04 0.77 -0.59 0.00 0.00 0.00 0.00 179.25 179.46 1sqq h ALA 194 N 1.39 0.97 -0.00 0.00 0.00 -0.61 -3.42 119.26 117.58 1sqq h ALA 194 Ca -0.01 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 1sqq h ALA 194 Cb 1.27 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1sqq h ALA 194 CO 0.08 0.74 -0.48 -1.91 0.00 0.00 0.00 179.25 177.67 1sqq n GLU 195 N -3.85 0.77 0.20 0.00 2.13 -0.45 -4.96 120.64 114.48 1sqq n GLU 195 Ca -0.02 -1.71 0.06 0.00 0.66 0.00 0.00 57.16 56.15 1sqq n GLU 195 Cb 0.60 -1.45 0.42 0.00 0.27 0.00 0.00 31.44 31.28 1sqq n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1sqq h PRO 196 N 3.99 0.00 0.00 5.31 0.11 -1.59 -3.07 132.00 136.75 1sqq h PRO 196 Ca -0.15 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 1sqq h PRO 196 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1sqq h PRO 196 CO 0.32 0.33 -0.24 1.05 -0.21 0.00 0.00 178.00 179.25 1sqq h GLU 197 N 0.00 0.00 0.00 1.05 9.09 -1.95 -3.38 114.58 119.39 1sqq h GLU 197 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1sqq h GLU 197 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1sqq h GLU 197 CO 0.04 0.24 0.00 1.58 0.05 0.00 0.00 179.01 180.92 1sqq n HIS 198 N -3.92 0.00 0.14 2.06 -0.00 -1.16 -0.95 115.22 111.39 1sqq n HIS 198 Ca -0.02 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.05 1sqq n HIS 198 Cb 0.32 -0.01 -0.07 0.00 -0.12 0.00 0.00 29.99 30.11 1sqq n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sqq h ASP 199 N 0.00 -0.35 -0.80 0.26 5.19 -1.88 -1.70 116.42 117.14 1sqq h ASP 199 Ca 0.00 -0.19 0.16 0.00 -0.62 0.00 0.00 57.03 56.38 1sqq h ASP 199 Cb 0.00 0.09 -0.15 0.00 0.18 0.00 0.00 39.33 39.45 1sqq h ASP 199 CO 0.00 0.09 -0.23 -0.74 -3.12 0.00 0.00 179.24 175.24 1sqq h HIS 200 N -0.90 -0.53 -0.33 4.55 2.76 -1.73 0.09 115.15 119.06 1sqq h HIS 200 Ca -0.04 0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1sqq h HIS 200 Cb 0.52 0.36 -0.06 0.00 1.55 0.00 0.00 27.41 29.77 1sqq h HIS 200 CO 0.04 -0.36 -0.08 -0.09 -1.30 0.00 0.00 177.93 176.14 1sqq h ARG 201 N -0.02 0.00 0.00 5.26 2.43 -0.53 0.33 114.38 121.85 1sqq h ARG 201 Ca 0.37 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.44 1sqq h ARG 201 Cb 0.59 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1sqq h ARG 201 CO -0.83 0.00 -0.47 0.87 -1.51 0.00 0.00 179.97 178.03 1sqq h LYS 202 N 0.00 0.00 -0.49 0.20 1.57 -1.01 -1.19 116.57 115.65 1sqq h LYS 202 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1sqq h LYS 202 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1sqq h LYS 202 CO -0.33 0.47 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.88 1sqq h ARG 203 N 0.00 0.90 -0.30 3.15 2.43 0.03 -2.25 114.38 118.33 1sqq h ARG 203 Ca -0.00 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 1sqq h ARG 203 Cb 1.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1sqq h ARG 203 CO 0.06 0.95 0.06 0.52 -1.51 0.00 0.00 179.97 180.05 1sqq h MET 204 N 0.75 0.49 -0.08 0.20 2.86 0.12 -2.60 114.93 116.68 1sqq h MET 204 Ca 0.13 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1sqq h MET 204 Cb 0.58 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1sqq h MET 204 CO 0.03 0.58 -0.15 0.78 1.06 0.00 0.00 176.91 179.22 1sqq h GLY 205 N 0.32 0.13 0.99 8.32 0.00 -1.20 0.55 103.07 112.18 1sqq h GLY 205 Ca 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1sqq h GLY 205 CO 0.00 0.07 -0.01 -2.00 0.00 0.00 0.00 176.54 174.61 1sqq h LEU 206 N 0.11 -0.01 -1.17 3.11 5.85 -1.27 0.89 115.31 122.82 1sqq h LEU 206 Ca 0.02 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1sqq h LEU 206 Cb 0.33 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1sqq h LEU 206 CO 0.02 0.00 0.24 0.11 -0.34 0.00 0.00 178.44 178.47 1sqq h LYS 207 N -0.03 0.82 0.71 1.25 1.57 -0.74 -1.14 116.57 119.01 1sqq h LYS 207 Ca -0.00 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1sqq h LYS 207 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1sqq h LYS 207 CO 0.00 0.67 -0.37 1.98 -0.57 0.00 0.00 179.45 181.16 1sqq h MET 208 N 0.81 -0.96 -0.26 3.15 4.05 0.22 0.18 114.93 122.12 1sqq h MET 208 Ca 0.20 0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.71 1sqq h MET 208 Cb 0.15 0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1sqq h MET 208 CO -0.02 -0.64 -0.32 -0.07 0.23 0.00 0.00 176.91 176.09 1sqq h LEU 209 N -0.99 -1.07 -1.50 3.39 3.38 -0.70 0.18 115.31 117.99 1sqq h LEU 209 Ca -0.09 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1sqq h LEU 209 Cb 0.78 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1sqq h LEU 209 CO 0.13 -0.22 0.48 -0.07 0.09 0.00 0.00 178.44 178.85 1sqq h LEU 210 N -0.21 0.49 0.64 1.67 3.38 -1.18 0.33 115.31 120.43 1sqq h LEU 210 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1sqq h LEU 210 Cb 0.33 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1sqq h LEU 210 CO -0.35 0.28 -0.31 0.24 0.09 0.00 0.00 178.44 178.39 1sqq h MET 211 N 0.53 -0.83 -0.86 1.13 2.86 -0.34 -2.80 114.93 114.62 1sqq h MET 211 Ca 0.34 0.06 0.18 0.00 -2.06 0.00 0.00 59.70 58.22 1sqq h MET 211 Cb 0.61 0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 1sqq h MET 211 CO -0.12 -0.55 0.57 1.98 1.06 0.00 0.00 176.91 179.85 1sqq h MET 212 N -1.10 0.45 -0.09 1.72 -1.53 -0.04 0.16 114.93 114.50 1sqq h MET 212 Ca -0.09 -0.03 -0.16 0.00 -3.44 0.00 0.00 59.70 55.99 1sqq h MET 212 Cb 0.66 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 1sqq h MET 212 CO 0.14 0.30 -0.63 0.78 0.14 0.00 0.00 176.91 177.64 1sqq h GLY 213 N 0.46 0.38 1.46 1.39 0.00 -0.44 0.39 103.07 106.71 1sqq h GLY 213 Ca 0.44 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1sqq h GLY 213 CO -0.17 0.43 -0.68 -2.00 0.00 0.00 0.00 176.54 174.12 1sqq h LEU 214 N 0.25 0.64 0.00 3.11 5.85 -1.02 -3.40 115.31 120.74 1sqq h LEU 214 Ca -0.01 -0.39 -0.25 0.00 0.84 0.00 0.00 57.88 58.07 1sqq h LEU 214 Cb 1.16 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1sqq h LEU 214 CO 0.10 1.13 -1.31 -0.07 -0.34 0.00 0.00 178.44 177.96 1sqq h LEU 215 N 0.39 0.01 0.17 2.25 3.38 0.05 -3.28 115.31 118.27 1sqq h LEU 215 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sqq h LEU 215 Cb 1.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1sqq h LEU 215 CO 0.13 1.01 -0.08 -0.07 0.09 0.00 0.00 178.44 179.52 1sqq h LEU 216 N 0.00 -0.19 -1.40 1.67 3.38 -0.45 -1.67 115.31 116.66 1sqq h LEU 216 Ca -0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1sqq h LEU 216 Cb 1.88 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 1sqq h LEU 216 CO 0.11 0.19 0.05 -0.65 0.09 0.00 0.00 178.44 178.23 1sqq h PRO 217 N -0.59 0.45 -0.11 1.13 0.11 -1.78 -1.90 132.00 129.31 1sqq h PRO 217 Ca -0.02 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 1sqq h PRO 217 Cb 0.45 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1sqq h PRO 217 CO 0.04 0.44 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.97 1sqq h LEU 218 N 0.44 0.39 0.09 2.35 3.38 -1.61 0.37 115.31 120.72 1sqq h LEU 218 Ca 0.10 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1sqq h LEU 218 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1sqq h LEU 218 CO 0.00 0.88 -0.13 0.58 0.09 0.00 0.00 178.44 179.86 1sqq h VAL 219 N -0.09 0.71 -0.46 1.22 2.07 -1.28 -1.38 116.25 117.03 1sqq h VAL 219 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1sqq h VAL 219 Cb 0.82 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1sqq h VAL 219 CO 0.05 0.00 -0.02 0.22 0.02 0.00 0.00 177.57 177.84 1sqq h TYR 220 N -0.26 -0.07 -0.95 1.57 3.20 -1.16 0.12 116.97 119.41 1sqq h TYR 220 Ca 0.02 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.07 1sqq h TYR 220 Cb 0.27 0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 1sqq h TYR 220 CO -0.14 -0.12 0.60 0.00 -1.64 0.00 0.00 178.16 176.85 1sqq h ALA 221 N 1.42 1.75 -0.07 1.82 0.00 -0.17 0.13 119.26 124.15 1sqq h ALA 221 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1sqq h ALA 221 Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sqq h ALA 221 CO -0.41 -0.03 0.02 0.52 0.00 0.00 0.00 179.25 179.36 1sqq h MET 222 N 0.76 0.11 -0.43 0.00 2.86 0.31 -2.40 114.93 116.14 1sqq h MET 222 Ca 0.49 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 58.04 1sqq h MET 222 Cb 0.74 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1sqq h MET 222 CO -0.25 0.27 -0.01 1.57 1.06 0.00 0.00 176.91 179.55 1sqq h LYS 223 N -0.08 0.69 -0.12 1.72 5.09 0.23 -2.31 116.57 121.80 1sqq h LYS 223 Ca 0.02 -0.18 0.01 0.00 0.09 0.00 0.00 60.65 60.59 1sqq h LYS 223 Cb 0.21 -0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.44 1sqq h LYS 223 CO -0.00 0.72 0.06 0.00 -2.09 0.00 0.00 179.45 178.14 1sqq h ARG 224 N 0.65 0.13 -0.44 0.07 2.47 -0.74 0.17 114.38 116.69 1sqq h ARG 224 Ca 0.13 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1sqq h ARG 224 Cb 0.42 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1sqq h ARG 224 CO 0.02 0.09 0.26 1.25 0.56 0.00 0.00 179.97 182.15 1sqq h HIS 225 N 0.13 0.59 -0.35 3.04 -0.00 -0.99 0.21 115.15 117.78 1sqq h HIS 225 Ca 0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1sqq h HIS 225 Cb 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 1sqq h HIS 225 CO -0.08 0.42 0.18 -0.22 -0.00 0.00 0.00 177.93 178.23 1sqq h LYS 226 N 0.59 0.50 0.00 5.26 1.63 -1.33 -3.03 116.57 120.19 1sqq h LYS 226 Ca 0.16 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1sqq h LYS 226 Cb 0.01 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1sqq h LYS 226 CO -0.03 0.44 0.00 0.91 -3.45 0.00 0.00 179.45 177.32 1sqq n TRP 227 N -4.74 0.00 0.18 1.91 7.02 0.59 -3.45 117.44 118.95 1sqq n TRP 227 Ca -0.01 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.50 1sqq n TRP 227 Cb 0.10 -0.48 0.33 0.00 -2.42 0.00 0.00 31.31 28.84 1sqq n TRP 227 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sqq h SER 228 N 0.00 0.00 -0.29 -0.99 4.64 -0.52 -1.16 113.55 115.23 1sqq h SER 228 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1sqq h SER 228 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1sqq h SER 228 CO 0.00 0.42 0.17 0.58 -0.87 0.00 0.00 176.83 177.12 1sqq h VAL 229 N 0.00 1.03 0.02 0.95 2.07 -1.74 -2.13 116.25 116.44 1sqq h VAL 229 Ca -0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1sqq h VAL 229 Cb 0.77 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1sqq h VAL 229 CO 0.05 0.06 -0.01 -0.07 0.02 0.00 0.00 177.57 177.63 1sqq h LEU 230 N 0.35 -0.02 -2.05 2.57 3.38 -1.60 -3.17 115.31 114.77 1sqq h LEU 230 Ca 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1sqq h LEU 230 Cb 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sqq h LEU 230 CO -0.06 0.15 -0.09 0.11 0.09 0.00 0.00 178.44 178.65 1sqq h LYS 231 N -0.19 0.00 -0.18 1.13 1.79 -0.59 -1.49 116.57 117.04 1sqq h LYS 231 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sqq h LYS 231 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1sqq h LYS 231 CO 0.00 0.09 0.00 -1.13 -1.08 0.00 0.00 179.45 177.33 1sqq n SER 232 N -3.59 2.49 -4.68 0.86 3.41 -0.98 -5.00 113.62 106.14 1sqq n SER 232 Ca -0.02 -1.73 -0.45 0.00 -0.26 0.00 0.00 58.87 56.41 1sqq n SER 232 Cb 0.21 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1sqq n SER 232 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1sqq n ARG 233 N 0.70 2.48 -3.65 4.33 1.85 -0.56 -4.98 116.66 116.83 1sqq n ARG 233 Ca 0.10 0.91 -0.37 0.00 -1.00 0.00 0.00 57.85 57.49 1sqq n ARG 233 Cb 0.38 -2.77 -0.06 0.00 -1.05 0.00 0.00 32.46 28.95 1sqq n ARG 233 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1sqq s LYS 234 N 3.20 3.89 0.17 2.89 3.01 -1.26 -5.08 119.74 126.57 1sqq s LYS 234 Ca 0.86 0.09 0.06 0.00 -1.01 0.00 0.00 55.97 55.97 1sqq s LYS 234 Cb -0.58 -3.29 -0.04 0.00 -1.01 0.00 0.00 37.83 32.91 1sqq s LYS 234 CO 0.43 0.55 0.11 -0.51 0.51 0.00 0.00 175.35 176.44 1sqq s LEU 235 N -0.46 3.71 -0.11 3.17 1.43 -1.26 -5.13 118.68 120.02 1sqq s LEU 235 Ca 0.17 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1sqq s LEU 235 Cb -0.14 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1sqq s LEU 235 CO 0.06 0.07 0.30 0.00 0.23 0.00 0.00 176.35 177.01 1sqq s ALA 236 N -1.77 -0.74 -0.14 4.21 0.00 -1.26 -5.16 121.76 116.90 1sqq s ALA 236 Ca 0.30 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1sqq s ALA 236 Cb -0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1sqq s ALA 236 CO 0.23 -0.15 -0.15 -0.47 0.00 0.00 0.00 175.76 175.21 1sqq s TYR 237 N 0.23 2.76 -0.47 0.00 5.04 -1.26 -5.07 117.35 118.59 1sqq s TYR 237 Ca -0.01 -0.87 0.07 0.00 -2.44 0.00 0.00 57.07 53.82 1sqq s TYR 237 Cb -0.03 -1.85 0.24 0.00 0.35 0.00 0.00 41.96 40.67 1sqq s TYR 237 CO -0.00 -0.36 0.55 0.54 -1.34 0.00 0.00 175.55 174.94 1sqq n ARG 238 N 3.77 1.13 -2.11 4.97 1.74 -1.26 -5.11 116.66 119.79 1sqq n ARG 238 Ca -0.19 -3.62 -0.34 0.00 -0.77 0.00 0.00 57.85 52.93 1sqq n ARG 238 Cb 0.52 -1.57 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 1sqq n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sqq s PRO 239 N -1.34 3.21 1.05 5.56 0.04 -1.26 -5.03 135.00 137.23 1sqq s PRO 239 Ca 0.35 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 1sqq s PRO 239 Cb 0.14 -2.00 0.22 0.00 0.04 0.00 0.00 34.50 32.90 1sqq s PRO 239 CO -0.10 -0.94 1.07 -1.25 0.04 0.00 0.00 177.00 175.82 1sqq s PRO 240 N -3.60 -0.04 0.00 0.56 0.04 -1.26 -5.34 135.00 125.36 1sqq s PRO 240 Ca 0.70 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1sqq s PRO 240 Cb -0.22 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1sqq s PRO 240 CO 0.32 -3.14 0.00 1.17 0.04 0.00 0.00 177.00 175.38