#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqx n ASP 2 N 0.00 0.01 -4.75 -3.46 8.00 -1.26 -3.96 116.55 111.13 1sqx n ASP 2 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 1sqx n ASP 2 Cb 0.00 1.75 -0.01 0.00 -0.02 0.00 0.00 41.12 42.85 1sqx n ASP 2 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sqx n LEU 3 N -2.38 4.36 -4.40 0.64 4.77 -1.26 -4.92 117.00 113.81 1sqx n LEU 3 Ca -0.11 1.20 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 1sqx n LEU 3 Cb 0.71 -1.58 -0.13 0.00 -2.33 0.00 0.00 43.42 40.09 1sqx n LEU 3 CO 0.45 0.01 -0.56 -1.61 -1.33 0.00 0.00 177.39 174.36 1sqx s GLU 4 N -1.53 1.49 -0.05 3.23 0.41 -1.26 -4.68 118.70 116.32 1sqx s GLU 4 Ca 0.57 -1.30 0.05 0.00 -0.41 0.00 0.00 54.97 53.88 1sqx s GLU 4 Cb -0.51 -1.94 -0.01 0.00 -1.78 0.00 0.00 34.13 29.89 1sqx s GLU 4 CO 0.59 0.46 -0.20 -1.17 -0.49 0.00 0.00 175.26 174.44 1sqx s LEU 5 N -2.02 1.97 -0.09 1.80 2.96 -1.26 -5.16 118.68 116.89 1sqx s LEU 5 Ca 0.15 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1sqx s LEU 5 Cb -0.10 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1sqx s LEU 5 CO 0.06 0.19 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.28 1sqx s HIS 6 N -0.03 3.14 0.58 5.38 3.76 -1.26 -4.82 115.29 122.04 1sqx s HIS 6 Ca -0.04 0.16 -0.20 0.00 -0.15 0.00 0.00 55.06 54.82 1sqx s HIS 6 Cb -0.12 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1sqx s HIS 6 CO 0.03 0.43 1.33 -2.14 -0.85 0.00 0.00 174.74 173.54 1sqx s PRO 7 N -0.80 2.95 0.71 8.40 0.02 -1.26 -5.04 135.00 139.98 1sqx s PRO 7 Ca 0.12 2.17 -0.10 0.00 0.02 0.00 0.00 61.00 63.21 1sqx s PRO 7 Cb -0.11 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.32 1sqx s PRO 7 CO 0.02 -1.32 1.07 -1.25 -0.33 0.00 0.00 177.00 175.20 1sqx s PRO 8 N -3.06 2.57 -0.80 5.54 0.04 -1.26 -5.01 135.00 133.02 1sqx s PRO 8 Ca 0.75 0.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 1sqx s PRO 8 Cb -0.39 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.14 1sqx s PRO 8 CO 0.45 -1.14 1.23 -1.12 0.04 0.00 0.00 177.00 176.46 1sqx s SER 9 N -4.42 6.28 0.11 6.66 0.01 -1.26 -4.90 113.70 116.18 1sqx s SER 9 Ca 0.59 -0.95 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1sqx s SER 9 Cb -0.11 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 1sqx s SER 9 CO 0.49 -1.60 1.07 -0.31 0.41 0.00 0.00 173.24 173.30 1sqx s TYR 10 N 4.88 3.62 -1.38 2.43 2.02 -1.26 -4.97 117.35 122.70 1sqx s TYR 10 Ca 0.34 1.60 -0.14 0.00 -0.37 0.00 0.00 57.07 58.50 1sqx s TYR 10 Cb -0.08 -3.23 0.08 0.00 -0.40 0.00 0.00 41.96 38.33 1sqx s TYR 10 CO 0.06 -0.46 2.03 -0.35 -1.57 0.00 0.00 175.55 175.26 1sqx n PRO 11 N 3.05 3.10 -1.62 -1.71 -0.04 -1.26 -4.96 135.00 131.55 1sqx n PRO 11 Ca 0.04 -2.97 -0.42 0.00 -0.04 0.00 0.00 63.50 60.11 1sqx n PRO 11 Cb 0.48 -3.23 0.01 0.00 -0.04 0.00 0.00 33.50 30.71 1sqx n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1sqx n TRP 12 N 5.98 1.36 0.18 0.54 7.02 -1.26 -4.90 117.44 126.36 1sqx n TRP 12 Ca 0.48 0.57 0.12 0.00 -1.02 0.00 0.00 57.50 57.66 1sqx n TRP 12 Cb 0.40 -2.26 0.65 0.00 -2.42 0.00 0.00 31.31 27.68 1sqx n TRP 12 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1sqx h SER 13 N 1.74 0.00 -0.18 -0.99 0.87 -1.93 -2.33 113.55 110.73 1sqx h SER 13 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1sqx h SER 13 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1sqx h SER 13 CO 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.88 1sqx n HIS 14 N -2.34 0.24 -0.01 2.24 -0.00 -1.25 -4.51 115.22 109.60 1sqx n HIS 14 Ca -0.02 -0.39 -0.05 0.00 -0.00 0.00 0.00 57.72 57.27 1sqx n HIS 14 Cb 0.04 -0.03 0.17 0.00 -0.00 0.00 0.00 29.99 30.17 1sqx n HIS 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1sqx h ARG 15 N 1.35 0.55 -7.27 -1.40 1.12 -1.73 -3.46 114.38 103.55 1sqx h ARG 15 Ca 0.00 -0.21 -0.49 0.00 -1.11 0.00 0.00 59.98 58.16 1sqx h ARG 15 Cb 0.57 -0.03 0.18 0.00 -0.01 0.00 0.00 29.97 30.68 1sqx h ARG 15 CO 0.00 0.76 0.20 0.20 -3.11 0.00 0.00 179.97 178.02 1sqx s GLY 16 N -3.97 1.64 0.14 2.80 0.00 -1.26 -4.99 107.32 101.68 1sqx s GLY 16 Ca -0.07 0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 1sqx s GLY 16 CO 0.80 0.70 1.42 1.41 0.00 0.00 0.00 173.10 177.43 1sqx h LEU 17 N -1.84 0.91 -3.59 0.66 -0.00 -1.98 -3.22 115.31 106.25 1sqx h LEU 17 Ca -0.49 -0.50 -0.38 0.00 -0.00 0.00 0.00 57.88 56.51 1sqx h LEU 17 Cb 1.28 -0.26 -0.24 0.00 -0.00 0.00 0.00 40.66 41.44 1sqx h LEU 17 CO 0.48 1.28 -0.14 0.18 -0.00 0.00 0.00 178.44 180.24 1sqx n LEU 18 N -3.99 5.00 -4.25 1.67 4.32 -1.26 -4.88 117.00 113.62 1sqx n LEU 18 Ca -0.04 -4.17 -0.34 0.00 -0.02 0.00 0.00 56.01 51.43 1sqx n LEU 18 Cb 0.64 -0.61 -0.15 0.00 -1.62 0.00 0.00 43.42 41.69 1sqx n LEU 18 CO 0.50 1.57 -0.43 -0.44 -1.22 0.00 0.00 177.39 177.37 1sqx s SER 19 N -2.74 3.95 0.54 -1.43 0.01 -1.22 -4.96 113.70 107.85 1sqx s SER 19 Ca 0.50 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 57.07 1sqx s SER 19 Cb 0.43 -1.66 -0.08 0.00 0.21 0.00 0.00 66.02 64.92 1sqx s SER 19 CO 0.01 -0.02 0.77 -1.20 0.41 0.00 0.00 173.24 173.21 1sqx n SER 20 N 4.74 0.04 -4.76 2.44 7.64 -1.26 -4.64 113.62 117.82 1sqx n SER 20 Ca -0.19 0.83 -0.39 0.00 1.01 0.00 0.00 58.87 60.13 1sqx n SER 20 Cb 0.50 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.44 1sqx n SER 20 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sqx s LEU 21 N -0.37 4.10 -0.57 -3.43 1.43 -1.26 -3.75 118.68 114.83 1sqx s LEU 21 Ca 0.70 2.77 -0.28 0.00 -1.03 0.00 0.00 54.13 56.29 1sqx s LEU 21 Cb -0.47 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 41.78 1sqx s LEU 21 CO 0.53 -1.11 1.28 -0.62 0.23 0.00 0.00 176.35 176.66 1sqx s ASP 22 N -0.70 6.33 0.40 2.29 -1.08 -1.26 -4.91 116.67 117.74 1sqx s ASP 22 Ca 0.61 0.19 0.21 0.00 -0.52 0.00 0.00 52.55 53.04 1sqx s ASP 22 Cb -0.40 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.31 1sqx s ASP 22 CO 0.51 -1.57 1.79 0.45 0.52 0.00 0.00 175.17 176.88 1sqx h HIS 23 N 10.13 0.00 -0.08 -5.34 3.86 -1.94 0.02 115.15 121.80 1sqx h HIS 23 Ca -0.26 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 1sqx h HIS 23 Cb 1.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1sqx h HIS 23 CO 1.04 0.31 -0.24 1.15 0.86 0.00 0.00 177.93 181.05 1sqx h THR 24 N 0.00 1.21 0.00 2.45 2.02 -1.91 -2.51 112.91 114.17 1sqx h THR 24 Ca -0.00 -0.98 -0.13 0.00 0.77 0.00 0.00 66.41 66.07 1sqx h THR 24 Cb 0.80 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1sqx h THR 24 CO 0.04 0.29 -1.02 -1.28 0.37 0.00 0.00 175.52 173.93 1sqx h SER 25 N 0.12 0.00 -0.45 4.18 0.87 -1.75 -3.19 113.55 113.33 1sqx h SER 25 Ca 0.02 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1sqx h SER 25 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1sqx h SER 25 CO 0.03 0.48 -0.08 0.40 -0.53 0.00 0.00 176.83 177.14 1sqx h ILE 26 N 0.00 1.27 0.26 2.23 2.04 -0.95 -2.68 117.51 119.67 1sqx h ILE 26 Ca -0.09 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1sqx h ILE 26 Cb 1.44 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1sqx h ILE 26 CO 0.05 0.40 -0.44 -0.09 0.00 0.00 0.00 178.15 178.07 1sqx h ARG 27 N 0.68 -0.74 0.00 2.37 2.43 -1.54 -0.12 114.38 117.47 1sqx h ARG 27 Ca 0.12 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1sqx h ARG 27 Cb 0.61 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1sqx h ARG 27 CO 0.04 -0.49 -0.04 0.00 -1.51 0.00 0.00 179.97 177.97 1sqx h ARG 28 N -0.77 0.00 0.11 0.20 3.08 -1.64 -2.42 114.38 112.94 1sqx h ARG 28 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 1sqx h ARG 28 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1sqx h ARG 28 CO -0.17 0.04 -1.19 0.78 -1.07 0.00 0.00 179.97 178.35 1sqx h GLY 29 N 0.14 0.30 0.89 0.04 0.00 -1.09 -2.50 103.07 100.85 1sqx h GLY 29 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.63 1sqx h GLY 29 CO 0.00 0.64 0.54 -2.75 0.00 0.00 0.00 176.54 174.97 1sqx h PHE 30 N 0.08 1.01 -0.88 5.60 3.57 -0.57 -2.33 116.94 123.41 1sqx h PHE 30 Ca -0.12 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.45 1sqx h PHE 30 Cb 1.92 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.27 1sqx h PHE 30 CO 0.06 0.59 0.58 1.96 -2.23 0.00 0.00 178.31 179.26 1sqx h GLN 31 N 1.05 1.03 -0.78 1.11 4.20 -1.35 -0.36 115.11 120.01 1sqx h GLN 31 Ca 0.33 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1sqx h GLN 31 Cb -0.01 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 1sqx h GLN 31 CO -0.11 0.68 0.30 0.28 -0.67 0.00 0.00 178.83 179.31 1sqx h VAL 32 N 1.06 1.26 0.07 -0.54 2.07 -1.28 -2.97 116.25 115.92 1sqx h VAL 32 Ca 0.36 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1sqx h VAL 32 Cb 0.09 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1sqx h VAL 32 CO -0.12 0.34 -0.03 0.22 0.02 0.00 0.00 177.57 178.00 1sqx h TYR 33 N 1.15 -0.09 -0.64 1.57 3.20 -0.73 -2.19 116.97 119.24 1sqx h TYR 33 Ca 0.26 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1sqx h TYR 33 Cb 0.24 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1sqx h TYR 33 CO 0.02 0.18 0.37 -0.22 -1.64 0.00 0.00 178.16 176.86 1sqx h LYS 34 N -0.34 0.86 0.04 1.82 3.64 -1.14 0.01 116.57 121.46 1sqx h LYS 34 Ca -0.01 -0.08 -0.35 0.00 -1.27 0.00 0.00 60.65 58.94 1sqx h LYS 34 Cb 0.30 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1sqx h LYS 34 CO 0.02 0.62 -2.11 1.04 -2.27 0.00 0.00 179.45 176.74 1sqx n GLN 35 N -4.40 0.69 -0.05 1.90 6.02 -1.12 -4.51 117.38 115.90 1sqx n GLN 35 Ca 0.06 0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1sqx n GLN 35 Cb 0.08 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 1sqx n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1sqx n VAL 36 N -3.15 1.20 0.08 5.09 0.31 -0.83 -4.85 118.33 116.18 1sqx n VAL 36 Ca -0.31 0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 1sqx n VAL 36 Cb 1.06 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.93 1sqx n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqx n SER 38 N -3.46 0.61 0.27 0.00 3.41 -0.04 0.36 113.62 114.78 1sqx n SER 38 Ca -0.12 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1sqx n SER 38 Cb 1.03 -0.79 0.75 0.00 -0.26 0.00 0.00 64.21 64.94 1sqx n SER 38 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sqx h SER 39 N 0.00 0.00 0.00 4.04 0.02 -1.84 -3.39 113.55 112.38 1sqx h SER 39 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sqx h SER 39 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1sqx h SER 39 CO 0.00 0.06 -0.74 0.00 -1.14 0.00 0.00 176.83 175.01 1sqx s HIS 41 N -1.74 3.01 0.52 0.00 4.02 0.16 -4.79 115.29 116.46 1sqx s HIS 41 Ca 0.00 -0.63 -0.22 0.00 1.02 0.00 0.00 55.06 55.23 1sqx s HIS 41 Cb 0.00 -2.11 -0.06 0.00 -1.02 0.00 0.00 32.58 29.40 1sqx s HIS 41 CO 0.00 -0.37 1.27 -1.54 1.02 0.00 0.00 174.74 175.12 1sqx s SER 42 N 1.25 5.59 -0.41 1.40 1.04 -1.26 -4.32 113.70 116.99 1sqx s SER 42 Ca 0.03 2.55 0.08 0.00 0.48 0.00 0.00 55.95 59.09 1sqx s SER 42 Cb -0.15 -2.62 0.24 0.00 0.10 0.00 0.00 66.02 63.60 1sqx s SER 42 CO 0.00 -1.33 0.52 0.23 0.98 0.00 0.00 173.24 173.64 1sqx n MET 43 N -0.90 0.78 0.28 4.02 2.00 -1.26 -0.81 117.12 121.23 1sqx n MET 43 Ca 0.10 -3.30 0.18 0.00 0.00 0.00 0.00 57.70 54.68 1sqx n MET 43 Cb 0.47 -1.30 0.75 0.00 0.00 0.00 0.00 33.22 33.13 1sqx n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1sqx h ASP 44 N 4.12 0.00 -0.29 7.83 3.32 -1.96 -3.16 116.42 126.28 1sqx h ASP 44 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1sqx h ASP 44 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1sqx h ASP 44 CO 0.47 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.77 1sqx n TYR 45 N -3.07 0.37 -4.77 4.55 4.01 -1.26 -4.77 117.16 112.23 1sqx n TYR 45 Ca 0.00 -0.25 -0.33 0.00 -0.16 0.00 0.00 57.90 57.16 1sqx n TYR 45 Cb 0.28 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.15 1sqx n TYR 45 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sqx s VAL 46 N -1.25 2.95 0.36 -0.72 1.01 -1.19 -5.08 120.40 116.47 1sqx s VAL 46 Ca 0.29 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1sqx s VAL 46 Cb 0.17 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1sqx s VAL 46 CO 0.24 0.52 0.27 0.00 0.00 0.00 0.00 175.10 176.13 1sqx s ALA 47 N 0.42 3.79 0.29 5.51 0.00 -1.26 -1.46 121.76 129.05 1sqx s ALA 47 Ca -0.11 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.07 1sqx s ALA 47 Cb -0.16 -0.96 0.45 0.00 0.00 0.00 0.00 23.12 22.45 1sqx s ALA 47 CO 0.05 -0.06 1.82 1.88 0.00 0.00 0.00 175.76 179.46 1sqx h TYR 48 N 1.28 0.74 0.00 0.00 0.05 -1.35 -2.70 116.97 114.99 1sqx h TYR 48 Ca -0.43 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.26 1sqx h TYR 48 Cb 1.26 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1sqx h TYR 48 CO 0.56 0.67 -0.00 0.07 -1.05 0.00 0.00 178.16 178.40 1sqx h ARG 49 N 0.68 0.00 0.00 4.88 0.11 -1.62 -2.39 114.38 116.04 1sqx h ARG 49 Ca 0.14 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.21 1sqx h ARG 49 Cb 0.36 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1sqx h ARG 49 CO 0.01 0.00 -0.08 0.45 0.10 0.00 0.00 179.97 180.45 1sqx h HIS 50 N 0.00 0.00 0.00 4.08 3.86 -1.78 -2.60 115.15 118.71 1sqx h HIS 50 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1sqx h HIS 50 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1sqx h HIS 50 CO 0.00 0.08 0.00 -0.07 0.86 0.00 0.00 177.93 178.80 1sqx h LEU 51 N 0.00 0.00 -0.39 2.43 3.38 -1.58 -3.37 115.31 115.78 1sqx h LEU 51 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1sqx h LEU 51 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sqx h LEU 51 CO 0.01 0.00 -0.01 0.58 0.09 0.00 0.00 178.44 179.11 1sqx h VAL 52 N 0.00 1.26 -0.60 1.22 2.07 -1.60 0.99 116.25 119.58 1sqx h VAL 52 Ca 0.00 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1sqx h VAL 52 Cb 0.68 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1sqx h VAL 52 CO 0.00 0.34 0.19 1.23 0.02 0.00 0.00 177.57 179.35 1sqx h GLY 53 N 0.51 0.97 0.00 2.17 0.00 -1.76 -3.41 103.07 101.55 1sqx h GLY 53 Ca 0.11 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1sqx h GLY 53 CO 0.02 0.51 -1.22 -0.62 0.00 0.00 0.00 176.54 175.23 1sqx n VAL 54 N -4.29 1.49 0.00 4.60 0.31 0.23 -4.81 118.33 115.86 1sqx n VAL 54 Ca 0.05 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1sqx n VAL 54 Cb 0.20 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1sqx n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqx s TYR 56 N -1.47 2.46 0.53 0.00 2.02 -0.93 -4.99 117.35 114.97 1sqx s TYR 56 Ca 0.00 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1sqx s TYR 56 Cb 0.00 -2.75 0.01 0.00 -0.40 0.00 0.00 41.96 38.82 1sqx s TYR 56 CO 0.00 -1.06 0.81 0.95 -1.57 0.00 0.00 175.55 174.68 1sqx s THR 57 N -2.82 3.71 0.24 -0.71 -4.23 -1.26 -4.55 115.64 106.03 1sqx s THR 57 Ca 0.60 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 1sqx s THR 57 Cb -0.09 -3.43 0.33 0.00 1.34 0.00 0.00 72.50 70.65 1sqx s THR 57 CO 0.39 -0.38 1.60 -0.08 -0.54 0.00 0.00 174.62 175.61 1sqx h GLU 58 N 0.06 0.01 -0.34 3.99 4.81 -1.95 -1.51 114.58 119.64 1sqx h GLU 58 Ca -0.45 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.62 1sqx h GLU 58 Cb 1.26 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1sqx h GLU 58 CO 0.59 0.01 -0.41 -0.44 -0.73 0.00 0.00 179.01 178.03 1sqx h ASP 59 N 0.01 0.90 -0.46 1.04 3.32 -1.99 -1.94 116.42 117.30 1sqx h ASP 59 Ca 0.39 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1sqx h ASP 59 Cb 0.63 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1sqx h ASP 59 CO -0.80 1.19 0.29 -0.33 -1.72 0.00 0.00 179.24 177.87 1sqx h GLU 60 N 0.68 0.61 0.01 3.56 5.08 -1.91 -2.24 114.58 120.38 1sqx h GLU 60 Ca 0.05 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1sqx h GLU 60 Cb 0.98 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1sqx h GLU 60 CO 0.09 0.43 -0.87 0.00 -1.00 0.00 0.00 179.01 177.66 1sqx h ALA 61 N 1.15 0.54 -0.60 3.43 0.00 -1.26 -2.03 119.26 120.48 1sqx h ALA 61 Ca 0.17 -0.74 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1sqx h ALA 61 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sqx h ALA 61 CO -0.03 0.95 0.00 -0.22 0.00 0.00 0.00 179.25 179.95 1sqx h LYS 62 N 0.08 1.05 -0.04 0.00 3.64 -1.33 -0.79 116.57 119.18 1sqx h LYS 62 Ca -0.04 -0.33 -0.11 0.00 -1.27 0.00 0.00 60.65 58.90 1sqx h LYS 62 Cb 1.51 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1sqx h LYS 62 CO 0.13 1.03 -0.48 0.00 -2.27 0.00 0.00 179.45 177.85 1sqx h ALA 63 N 1.02 1.12 -0.18 5.00 0.00 -1.32 -1.95 119.26 122.96 1sqx h ALA 63 Ca 0.17 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1sqx h ALA 63 Cb 0.55 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1sqx h ALA 63 CO 0.03 0.62 -0.74 -0.07 0.00 0.00 0.00 179.25 179.10 1sqx h LEU 64 N 0.08 0.95 -1.30 0.00 3.38 -1.26 -3.18 115.31 113.98 1sqx h LEU 64 Ca 0.00 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 1sqx h LEU 64 Cb 0.89 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1sqx h LEU 64 CO 0.07 1.41 0.14 0.00 0.09 0.00 0.00 178.44 180.14 1sqx h ALA 65 N 0.58 1.44 -0.05 1.53 0.00 -1.10 -3.21 119.26 118.46 1sqx h ALA 65 Ca -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1sqx h ALA 65 Cb 1.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1sqx h ALA 65 CO 0.15 0.42 0.03 0.39 0.00 0.00 0.00 179.25 180.24 1sqx n GLU 66 N -4.34 1.06 -0.02 0.00 1.02 -0.74 -3.45 120.64 114.17 1sqx n GLU 66 Ca 0.03 -0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 1sqx n GLU 66 Cb 0.17 -1.06 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 1sqx n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sqx n GLU 67 N 0.42 3.04 -3.58 3.49 1.02 -1.21 -4.99 120.64 118.82 1sqx n GLU 67 Ca 0.03 -0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1sqx n GLU 67 Cb 0.55 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 1sqx n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sqx s VAL 68 N -2.13 5.16 -0.27 2.62 1.01 -1.22 -5.10 120.40 120.47 1sqx s VAL 68 Ca -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1sqx s VAL 68 Cb 0.01 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1sqx s VAL 68 CO 0.18 -0.33 0.30 -1.61 0.00 0.00 0.00 175.10 173.64 1sqx s GLU 69 N -3.74 4.00 -0.10 2.72 0.41 -1.26 -4.53 118.70 116.20 1sqx s GLU 69 Ca 0.39 -0.10 0.01 0.00 -0.41 0.00 0.00 54.97 54.86 1sqx s GLU 69 Cb -0.10 -3.65 -0.02 0.00 -1.78 0.00 0.00 34.13 28.58 1sqx s GLU 69 CO 0.31 -0.21 -0.13 0.08 -0.49 0.00 0.00 175.26 174.82 1sqx s VAL 70 N 1.87 3.14 0.17 2.63 1.01 -0.91 -4.96 120.40 123.35 1sqx s VAL 70 Ca 0.12 -0.65 -0.32 0.00 0.00 0.00 0.00 61.98 61.13 1sqx s VAL 70 Cb -0.16 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.83 1sqx s VAL 70 CO 0.10 0.55 1.59 -1.58 0.00 0.00 0.00 175.10 175.75 1sqx s GLN 71 N -0.06 4.20 0.14 2.72 0.74 -1.26 -1.31 119.66 124.84 1sqx s GLN 71 Ca -0.02 2.39 0.08 0.00 0.05 0.00 0.00 55.36 57.86 1sqx s GLN 71 Cb -0.14 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 1sqx s GLN 71 CO 0.04 -0.63 -0.13 0.34 -0.55 0.00 0.00 175.29 174.37 1sqx s ASP 72 N 1.16 4.16 0.82 6.67 2.15 -0.87 -4.95 116.67 125.81 1sqx s ASP 72 Ca 0.71 -0.53 -0.11 0.00 0.43 0.00 0.00 52.55 53.05 1sqx s ASP 72 Cb -0.44 -0.69 0.09 0.00 -0.30 0.00 0.00 42.92 41.57 1sqx s ASP 72 CO 0.31 0.15 1.12 -0.83 -0.17 0.00 0.00 175.17 175.75 1sqx s GLY 73 N -2.44 1.76 0.36 2.66 0.00 -1.26 -3.85 107.32 104.55 1sqx s GLY 73 Ca 0.22 0.46 -0.27 0.00 0.00 0.00 0.00 44.72 45.12 1sqx s GLY 73 CO 0.13 0.84 1.30 2.56 0.00 0.00 0.00 173.10 177.93 1sqx s PRO 74 N -4.68 4.20 0.78 2.90 0.04 -1.26 -4.91 135.00 132.07 1sqx s PRO 74 Ca 0.65 2.17 -0.13 0.00 0.04 0.00 0.00 61.00 63.73 1sqx s PRO 74 Cb -0.20 -2.93 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1sqx s PRO 74 CO 0.55 -0.31 1.16 0.54 0.04 0.00 0.00 177.00 178.98 1sqx s ASN 75 N -0.62 4.04 0.00 6.66 2.20 -1.15 -4.91 114.94 121.16 1sqx s ASN 75 Ca 0.52 2.17 0.00 0.00 -0.94 0.00 0.00 52.86 54.61 1sqx s ASN 75 Cb -0.39 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.30 1sqx s ASN 75 CO 0.51 -2.36 0.36 -1.84 -2.94 0.00 0.00 177.10 170.82 1sqx n GLU 76 N -3.22 0.41 -0.06 3.55 0.00 -1.26 -0.10 120.64 119.97 1sqx n GLU 76 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.24 1sqx n GLU 76 Cb 0.51 -1.06 -0.13 0.00 0.00 0.00 0.00 31.44 30.77 1sqx n GLU 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1sqx n ASP 77 N -0.29 1.02 0.00 -1.84 2.03 -1.26 -5.06 116.55 111.15 1sqx n ASP 77 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1sqx n ASP 77 Cb 0.03 1.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.57 1sqx n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sqx n GLY 78 N 1.87 0.95 3.03 0.27 0.00 0.86 -5.14 105.19 107.03 1sqx n GLY 78 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1sqx n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqx s GLU 79 N 0.09 0.40 -0.55 1.61 2.02 -1.25 -4.96 118.70 116.06 1sqx s GLU 79 Ca 0.00 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.16 1sqx s GLU 79 Cb 0.00 0.15 0.09 0.00 0.10 0.00 0.00 34.13 34.47 1sqx s GLU 79 CO 0.00 -0.08 0.63 -1.64 0.02 0.00 0.00 175.26 174.20 1sqx s MET 80 N -1.81 3.05 0.80 1.61 -1.94 -1.26 -2.91 119.30 116.84 1sqx s MET 80 Ca -0.12 -1.24 -0.04 0.00 -1.71 0.00 0.00 55.69 52.57 1sqx s MET 80 Cb -0.07 -4.21 0.16 0.00 2.01 0.00 0.00 34.83 32.72 1sqx s MET 80 CO -0.02 -1.39 1.10 -0.59 -0.01 0.00 0.00 175.02 174.11 1sqx s PHE 81 N 2.47 1.34 0.07 -0.03 -0.71 -1.25 -4.93 117.98 114.95 1sqx s PHE 81 Ca 0.11 -0.21 0.09 0.00 -1.04 0.00 0.00 56.93 55.88 1sqx s PHE 81 Cb -0.23 -3.29 -0.03 0.00 -1.21 0.00 0.00 43.02 38.26 1sqx s PHE 81 CO 0.07 -2.06 -0.25 -1.64 -1.34 0.00 0.00 175.22 170.00 1sqx s MET 82 N -5.37 1.56 0.06 1.99 -1.94 -1.26 -2.06 119.30 112.29 1sqx s MET 82 Ca 0.70 -1.15 0.01 0.00 -1.71 0.00 0.00 55.69 53.54 1sqx s MET 82 Cb -0.04 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 34.94 1sqx s MET 82 CO 0.47 0.46 -0.06 -0.98 -0.01 0.00 0.00 175.02 174.90 1sqx s ARG 83 N -1.50 0.64 0.39 2.03 1.70 -0.42 -4.95 118.95 116.84 1sqx s ARG 83 Ca 0.11 -1.05 0.17 0.00 -0.47 0.00 0.00 55.73 54.50 1sqx s ARG 83 Cb -0.10 -0.12 1.07 0.00 -0.57 0.00 0.00 34.95 35.24 1sqx s ARG 83 CO 0.03 -0.02 1.79 -1.35 -1.08 0.00 0.00 175.30 174.67 1sqx h PRO 84 N 3.67 0.41 0.00 3.89 0.11 -1.87 -2.43 132.00 135.79 1sqx h PRO 84 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sqx h PRO 84 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sqx h PRO 84 CO 0.55 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 1sqx n GLY 85 N -1.47 -1.30 2.48 -0.55 0.00 -1.26 -4.06 105.19 99.03 1sqx n GLY 85 Ca 0.24 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 1sqx n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqx n LYS 86 N -0.19 0.92 0.26 1.61 5.02 -1.26 -3.83 118.16 120.69 1sqx n LYS 86 Ca 0.00 -2.19 0.12 0.00 -2.02 0.00 0.00 58.31 54.21 1sqx n LYS 86 Cb 0.00 0.17 0.70 0.00 -0.02 0.00 0.00 35.03 35.88 1sqx n LYS 86 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1sqx h LEU 87 N 0.00 0.00 -1.21 -0.35 3.38 -1.92 -2.97 115.31 112.25 1sqx h LEU 87 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1sqx h LEU 87 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1sqx h LEU 87 CO 0.34 0.12 0.00 0.77 0.09 0.00 0.00 178.44 179.76 1sqx h SER 88 N 0.00 0.00 -3.06 -0.43 4.64 -1.96 -1.68 113.55 111.06 1sqx h SER 88 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 1sqx h SER 88 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1sqx h SER 88 CO 0.02 0.00 0.68 -1.81 -0.87 0.00 0.00 176.83 174.85 1sqx s ASP 89 N -5.19 6.93 0.59 4.97 1.01 -1.12 -4.89 116.67 118.96 1sqx s ASP 89 Ca 0.02 2.15 -0.17 0.00 0.71 0.00 0.00 52.55 55.26 1sqx s ASP 89 Cb 0.09 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1sqx s ASP 89 CO 0.49 -0.60 1.09 -0.31 0.21 0.00 0.00 175.17 176.06 1sqx s TYR 90 N 1.39 2.79 0.33 4.23 2.02 -1.26 -2.75 117.35 124.10 1sqx s TYR 90 Ca 0.62 1.54 -0.29 0.00 -0.37 0.00 0.00 57.07 58.57 1sqx s TYR 90 Cb -0.33 -3.14 -0.12 0.00 -0.40 0.00 0.00 41.96 37.98 1sqx s TYR 90 CO 0.29 -1.38 1.49 1.19 -1.57 0.00 0.00 175.55 175.56 1sqx n PHE 91 N -1.84 2.73 -2.28 2.71 3.72 -0.53 -4.85 117.46 117.11 1sqx n PHE 91 Ca 0.10 0.39 -0.41 0.00 -0.05 0.00 0.00 57.45 57.49 1sqx n PHE 91 Cb 0.52 -2.53 -0.03 0.00 -0.94 0.00 0.00 39.48 36.50 1sqx n PHE 91 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1sqx s PRO 92 N -1.29 4.48 -0.17 -1.08 0.02 -1.26 -4.60 135.00 131.10 1sqx s PRO 92 Ca 0.59 2.02 -0.26 0.00 0.02 0.00 0.00 61.00 63.37 1sqx s PRO 92 Cb -0.52 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 30.86 1sqx s PRO 92 CO 0.56 -0.02 0.89 0.15 -0.33 0.00 0.00 177.00 178.25 1sqx s LYS 93 N -1.48 4.30 0.42 5.54 1.02 -1.26 -4.74 119.74 123.54 1sqx s LYS 93 Ca 0.48 1.12 -0.24 0.00 0.02 0.00 0.00 55.97 57.35 1sqx s LYS 93 Cb -0.36 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.28 1sqx s LYS 93 CO 0.46 -0.38 1.07 -1.25 -0.92 0.00 0.00 175.35 174.34 1sqx s PRO 94 N 2.32 4.06 0.16 -1.68 0.04 -1.26 -4.86 135.00 133.77 1sqx s PRO 94 Ca 0.40 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1sqx s PRO 94 Cb -0.17 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1sqx s PRO 94 CO 0.12 -0.24 0.00 0.66 0.04 0.00 0.00 177.00 177.58 1sqx n TYR 95 N -0.20 -4.37 0.03 0.56 4.01 -1.26 -4.86 117.16 111.06 1sqx n TYR 95 Ca 0.06 2.63 0.04 0.00 -0.16 0.00 0.00 57.90 60.47 1sqx n TYR 95 Cb 0.49 -3.52 0.43 0.00 -0.31 0.00 0.00 39.34 36.43 1sqx n TYR 95 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1sqx h PRO 96 N 3.79 0.48 -6.01 -0.72 0.11 -1.94 -3.46 132.00 124.25 1sqx h PRO 96 Ca 0.00 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.47 1sqx h PRO 96 Cb 0.00 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 30.88 1sqx h PRO 96 CO 0.00 0.34 -0.66 -0.80 -0.21 0.00 0.00 178.00 176.67 1sqx s ASN 97 N -6.73 3.93 0.47 -2.05 -0.87 -1.26 -5.03 114.94 103.40 1sqx s ASN 97 Ca -0.08 -1.07 0.12 0.00 -1.57 0.00 0.00 52.86 50.27 1sqx s ASN 97 Cb 0.17 -0.44 1.09 0.00 -0.02 0.00 0.00 41.25 42.05 1sqx s ASN 97 CO 0.73 -0.18 2.10 -0.65 -2.57 0.00 0.00 177.10 176.53 1sqx h PRO 98 N 1.96 0.25 -0.29 -0.60 0.11 -1.98 -2.87 132.00 128.58 1sqx h PRO 98 Ca -0.42 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 1sqx h PRO 98 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1sqx h PRO 98 CO 0.67 0.16 -0.46 0.93 -0.21 0.00 0.00 178.00 179.10 1sqx h GLU 99 N 0.25 0.76 0.00 1.05 3.07 -1.99 -0.87 114.58 116.86 1sqx h GLU 99 Ca 0.08 -0.43 -0.06 0.00 -0.50 0.00 0.00 59.36 58.45 1sqx h GLU 99 Cb 0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1sqx h GLU 99 CO -0.02 1.06 -0.29 0.00 -1.40 0.00 0.00 179.01 178.36 1sqx h ALA 100 N 0.87 1.08 -0.31 3.43 0.00 -1.97 -1.47 119.26 120.90 1sqx h ALA 100 Ca 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1sqx h ALA 100 Cb 1.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1sqx h ALA 100 CO 0.10 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 1sqx h ALA 101 N 1.71 0.43 -0.26 0.00 0.00 -1.25 -3.17 119.26 116.72 1sqx h ALA 101 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1sqx h ALA 101 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1sqx h ALA 101 CO 0.04 0.25 -0.23 0.00 0.00 0.00 0.00 179.25 179.31 1sqx h ARG 102 N 0.37 0.48 -0.37 0.00 3.08 -1.02 -3.05 114.38 113.87 1sqx h ARG 102 Ca 0.08 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1sqx h ARG 102 Cb 0.56 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1sqx h ARG 102 CO 0.03 0.68 -0.38 0.00 -1.07 0.00 0.00 179.97 179.22 1sqx h ALA 103 N 1.34 0.61 0.08 0.04 0.00 -1.33 0.46 119.26 120.46 1sqx h ALA 103 Ca 0.07 -0.45 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 1sqx h ALA 103 Cb 0.63 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sqx h ALA 103 CO 0.05 0.68 -1.13 0.00 0.00 0.00 0.00 179.25 178.84 1sqx h ALA 104 N 0.82 0.21 -0.79 0.00 0.00 -1.60 -3.36 119.26 114.55 1sqx h ALA 104 Ca 0.06 -0.85 -0.26 0.00 0.00 0.00 0.00 54.91 53.86 1sqx h ALA 104 Cb 0.97 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 1sqx h ALA 104 CO 0.09 0.99 0.33 0.09 0.00 0.00 0.00 179.25 180.75 1sqx n ASN 105 N -3.54 4.71 -3.31 0.00 3.02 -1.15 -4.96 115.26 110.03 1sqx n ASN 105 Ca -0.06 -3.29 -0.17 0.00 -0.03 0.00 0.00 54.58 51.03 1sqx n ASN 105 Cb 0.97 -0.76 0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1sqx n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sqx n ASN 106 N -0.30 -6.30 0.00 6.41 3.02 -1.18 -3.54 115.26 113.37 1sqx n ASN 106 Ca 0.44 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1sqx n ASN 106 Cb 1.44 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1sqx n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqx n GLY 107 N -1.28 2.15 3.74 7.41 0.00 0.15 -4.98 105.19 112.37 1sqx n GLY 107 Ca -0.08 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1sqx n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqx s ALA 108 N -0.65 3.28 -0.31 4.61 0.00 -1.23 -4.76 121.76 122.69 1sqx s ALA 108 Ca 0.00 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 1sqx s ALA 108 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1sqx s ALA 108 CO 0.00 0.06 0.56 -1.17 0.00 0.00 0.00 175.76 175.21 1sqx s LEU 109 N -0.43 4.19 -0.25 0.00 0.20 -1.26 -4.22 118.68 116.91 1sqx s LEU 109 Ca 0.45 0.28 -0.29 0.00 0.69 0.00 0.00 54.13 55.26 1sqx s LEU 109 Cb -0.24 -2.70 -0.01 0.00 -0.43 0.00 0.00 46.19 42.81 1sqx s LEU 109 CO 0.31 -0.44 1.40 -2.84 -0.29 0.00 0.00 176.35 174.49 1sqx s PRO 110 N 2.48 3.93 0.83 0.98 0.02 -1.26 -5.05 135.00 136.92 1sqx s PRO 110 Ca 0.22 1.46 -0.12 0.00 0.02 0.00 0.00 61.00 62.58 1sqx s PRO 110 Cb -0.15 -3.91 0.09 0.00 0.02 0.00 0.00 34.50 30.55 1sqx s PRO 110 CO 0.12 -1.11 1.11 -2.14 -0.33 0.00 0.00 177.00 174.65 1sqx s PRO 111 N 4.23 1.78 0.58 5.54 0.02 -1.26 -4.75 135.00 141.14 1sqx s PRO 111 Ca 0.61 0.52 -0.20 0.00 0.02 0.00 0.00 61.00 61.95 1sqx s PRO 111 Cb -0.20 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1sqx s PRO 111 CO 0.24 -1.80 1.19 -0.25 -0.33 0.00 0.00 177.00 176.05 1sqx n ASP 112 N -3.54 1.83 -0.61 2.53 9.92 -1.26 -4.52 116.55 120.90 1sqx n ASP 112 Ca 0.07 0.89 0.07 0.00 -0.53 0.00 0.00 54.79 55.29 1sqx n ASP 112 Cb 0.57 -1.50 0.07 0.00 -0.64 0.00 0.00 41.12 39.63 1sqx n ASP 112 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1sqx n LEU 113 N -1.05 2.30 -0.10 0.64 4.32 0.01 -4.43 117.00 118.69 1sqx n LEU 113 Ca 0.13 -1.06 0.07 0.00 -0.02 0.00 0.00 56.01 55.12 1sqx n LEU 113 Cb 0.46 -0.02 0.41 0.00 -1.62 0.00 0.00 43.42 42.65 1sqx n LEU 113 CO 0.51 0.43 1.19 0.77 -1.22 0.00 0.00 177.39 179.07 1sqx h SER 114 N 2.91 0.54 0.00 -1.43 4.64 -1.91 -3.23 113.55 115.07 1sqx h SER 114 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sqx h SER 114 Cb 0.63 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sqx h SER 114 CO 0.00 0.36 -1.17 0.00 -0.87 0.00 0.00 176.83 175.15 1sqx n TYR 115 N -4.47 0.00 0.27 4.77 0.18 -1.26 -2.83 117.16 113.82 1sqx n TYR 115 Ca 0.08 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.96 1sqx n TYR 115 Cb 0.20 -0.16 0.72 0.00 -0.38 0.00 0.00 39.34 39.72 1sqx n TYR 115 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1sqx h ILE 116 N 0.00 0.85 -0.31 -3.48 1.08 -1.77 -0.21 117.51 113.67 1sqx h ILE 116 Ca 0.00 -0.04 -0.08 0.00 -0.39 0.00 0.00 64.86 64.35 1sqx h ILE 116 Cb 0.52 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1sqx h ILE 116 CO 0.00 0.01 -0.12 0.58 -0.69 0.00 0.00 178.15 177.93 1sqx h VAL 117 N 0.00 1.29 0.00 1.67 2.07 -1.86 -2.79 116.25 116.63 1sqx h VAL 117 Ca -0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1sqx h VAL 117 Cb 0.02 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1sqx h VAL 117 CO 0.00 0.38 0.00 0.03 0.02 0.00 0.00 177.57 178.01 1sqx h ARG 118 N 0.39 0.00 -0.01 1.57 3.08 -1.38 -3.30 114.38 114.72 1sqx h ARG 118 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1sqx h ARG 118 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1sqx h ARG 118 CO 0.04 0.00 -0.34 0.00 -1.07 0.00 0.00 179.97 178.60 1sqx n ALA 119 N -1.99 3.25 -3.03 0.04 0.00 -1.01 -4.86 120.51 112.92 1sqx n ALA 119 Ca 0.04 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 1sqx n ALA 119 Cb 0.43 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.77 1sqx n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sqx s ARG 120 N -2.44 1.82 0.19 0.00 1.81 -1.06 -5.04 118.95 114.23 1sqx s ARG 120 Ca 0.22 -0.58 -0.33 0.00 -1.72 0.00 0.00 55.73 53.33 1sqx s ARG 120 Cb 0.19 -1.55 -0.13 0.00 -0.45 0.00 0.00 34.95 33.01 1sqx s ARG 120 CO 0.52 0.19 1.56 0.72 -0.68 0.00 0.00 175.30 177.61 1sqx n HIS 121 N 3.30 2.34 0.00 -0.53 8.25 -1.26 -1.34 115.22 125.98 1sqx n HIS 121 Ca -0.19 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1sqx n HIS 121 Cb 0.53 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.09 1sqx n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqx n GLY 122 N 3.11 3.13 7.00 -1.41 0.00 -1.26 -4.67 105.19 111.09 1sqx n GLY 122 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1sqx n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqx n GLY 123 N -1.00 1.62 0.29 -0.02 0.00 -0.45 -2.77 105.19 102.86 1sqx n GLY 123 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 1sqx n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sqx h GLU 124 N 0.00 0.66 -0.72 1.61 3.07 -1.89 -2.91 114.58 114.40 1sqx h GLU 124 Ca 0.00 -0.12 0.10 0.00 -0.50 0.00 0.00 59.36 58.85 1sqx h GLU 124 Cb 0.00 -0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 27.73 1sqx h GLU 124 CO 0.00 0.60 0.34 -0.44 -1.40 0.00 0.00 179.01 178.10 1sqx h ASP 125 N 0.64 0.41 0.03 1.42 3.32 -1.86 0.38 116.42 120.76 1sqx h ASP 125 Ca 0.15 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1sqx h ASP 125 Cb 0.23 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1sqx h ASP 125 CO -0.00 0.22 -0.02 0.22 -1.72 0.00 0.00 179.24 177.94 1sqx h TYR 126 N 0.55 -0.04 -0.78 4.55 3.20 -1.62 0.13 116.97 122.97 1sqx h TYR 126 Ca 0.36 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1sqx h TYR 126 Cb 0.43 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1sqx h TYR 126 CO -0.12 0.18 0.34 0.28 -1.64 0.00 0.00 178.16 177.19 1sqx h VAL 127 N -0.25 1.25 -0.17 1.81 2.07 -1.30 0.30 116.25 119.96 1sqx h VAL 127 Ca -0.00 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1sqx h VAL 127 Cb 0.24 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1sqx h VAL 127 CO 0.01 0.31 0.10 0.15 0.02 0.00 0.00 177.57 178.16 1sqx h PHE 128 N 1.12 0.22 -0.33 1.57 3.57 -0.23 0.15 116.94 123.00 1sqx h PHE 128 Ca 0.26 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 1sqx h PHE 128 Cb 0.17 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1sqx h PHE 128 CO 0.02 0.19 -0.12 0.77 -2.23 0.00 0.00 178.31 176.94 1sqx h SER 129 N 0.19 0.56 -0.27 0.41 0.02 -0.65 0.40 113.55 114.20 1sqx h SER 129 Ca 0.06 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 1sqx h SER 129 Cb 0.04 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1sqx h SER 129 CO -0.01 0.71 -0.46 0.25 -1.14 0.00 0.00 176.83 176.18 1sqx h LEU 130 N 0.53 0.91 0.00 5.07 5.85 -0.30 -2.20 115.31 125.17 1sqx h LEU 130 Ca 0.10 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1sqx h LEU 130 Cb 0.52 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1sqx h LEU 130 CO 0.03 1.23 0.00 0.18 -0.34 0.00 0.00 178.44 179.54 1sqx n LEU 131 N -4.02 0.43 0.25 2.25 4.77 0.03 -4.16 117.00 116.55 1sqx n LEU 131 Ca -0.03 0.61 0.17 0.00 -0.03 0.00 0.00 56.01 56.73 1sqx n LEU 131 Cb 0.58 -0.35 0.84 0.00 -2.33 0.00 0.00 43.42 42.16 1sqx n LEU 131 CO 0.49 -0.35 1.01 0.74 -1.33 0.00 0.00 177.39 177.95 1sqx h THR 132 N 0.00 0.00 -0.59 -5.08 2.02 -0.36 -2.90 112.91 106.00 1sqx h THR 132 Ca 0.00 -0.16 -0.26 0.00 0.77 0.00 0.00 66.41 66.76 1sqx h THR 132 Cb 0.00 1.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.25 1sqx h THR 132 CO 0.00 0.00 0.20 0.61 0.37 0.00 0.00 175.52 176.70 1sqx n GLY 133 N -0.71 4.48 3.70 2.16 0.00 -0.83 -4.99 105.19 109.01 1sqx n GLY 133 Ca -0.01 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1sqx n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqx s TYR 134 N -3.17 2.74 0.22 1.61 2.02 -1.10 -4.64 117.35 115.03 1sqx s TYR 134 Ca 0.50 0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 57.59 1sqx s TYR 134 Cb 0.43 -3.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 1sqx s TYR 134 CO 0.06 -3.68 0.30 0.00 -1.57 0.00 0.00 175.55 170.66 1sqx s GLU 136 N -4.07 4.37 0.68 0.00 8.01 -1.26 -4.59 118.70 121.84 1sqx s GLU 136 Ca 0.31 1.14 -0.17 0.00 0.01 0.00 0.00 54.97 56.27 1sqx s GLU 136 Cb 0.03 -2.57 0.01 0.00 -4.31 0.00 0.00 34.13 27.30 1sqx s GLU 136 CO 0.11 0.18 1.24 -2.14 0.01 0.00 0.00 175.26 174.66 1sqx s PRO 137 N -2.51 2.40 0.60 0.39 0.02 -1.26 -5.06 135.00 129.58 1sqx s PRO 137 Ca 0.54 1.89 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 1sqx s PRO 137 Cb -0.14 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.54 1sqx s PRO 137 CO 0.19 -1.67 0.91 -1.25 -0.33 0.00 0.00 177.00 174.85 1sqx s PRO 138 N -3.63 2.92 0.16 5.54 0.04 -1.26 -5.07 135.00 133.70 1sqx s PRO 138 Ca 0.78 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 1sqx s PRO 138 Cb -0.33 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 31.88 1sqx s PRO 138 CO 0.41 -0.72 1.23 0.95 0.04 0.00 0.00 177.00 178.91 1sqx s THR 139 N -3.02 3.56 0.00 1.26 -4.23 -1.26 -3.56 115.64 108.40 1sqx s THR 139 Ca 0.54 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 62.31 1sqx s THR 139 Cb -0.11 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1sqx s THR 139 CO 0.46 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 1sqx n GLY 140 N 2.47 1.42 3.27 3.99 0.00 -1.26 -5.10 105.19 109.99 1sqx n GLY 140 Ca 0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1sqx n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqx s VAL 141 N -0.72 2.08 0.14 1.61 0.11 -1.23 -5.14 120.40 117.25 1sqx s VAL 141 Ca 0.00 -1.06 0.11 0.00 -2.93 0.00 0.00 61.98 58.10 1sqx s VAL 141 Cb 0.00 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 1sqx s VAL 141 CO 0.00 0.57 -0.25 -0.55 -3.33 0.00 0.00 175.10 171.54 1sqx s SER 142 N -0.18 3.19 -0.02 3.54 0.15 -1.26 -4.77 113.70 114.35 1sqx s SER 142 Ca -0.03 -0.76 -0.04 0.00 0.70 0.00 0.00 55.95 55.82 1sqx s SER 142 Cb -0.14 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1sqx s SER 142 CO 0.04 0.14 0.20 -0.76 1.20 0.00 0.00 173.24 174.06 1sqx s LEU 143 N -2.15 4.37 -0.92 3.45 1.43 -1.26 -5.05 118.68 118.56 1sqx s LEU 143 Ca 0.14 0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 53.40 1sqx s LEU 143 Cb -0.10 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1sqx s LEU 143 CO 0.06 0.28 1.67 0.00 0.23 0.00 0.00 176.35 178.59 1sqx s ARG 144 N -1.78 3.06 0.00 1.70 1.70 -1.26 -4.91 118.95 117.46 1sqx s ARG 144 Ca 0.26 -0.57 -0.00 0.00 -0.47 0.00 0.00 55.73 54.94 1sqx s ARG 144 Cb -0.13 -5.07 -0.02 0.00 -0.57 0.00 0.00 34.95 29.17 1sqx s ARG 144 CO 0.16 -2.72 2.04 -1.91 -1.08 0.00 0.00 175.30 171.79 1sqx n GLU 145 N 8.94 1.03 0.16 3.89 0.00 -1.26 -1.99 120.64 131.41 1sqx n GLU 145 Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 57.16 57.44 1sqx n GLU 145 Cb 0.49 -1.07 0.25 0.00 0.00 0.00 0.00 31.44 31.11 1sqx n GLU 145 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1sqx h GLY 146 N 3.15 0.00 -4.92 8.31 0.00 -1.97 -3.47 103.07 104.18 1sqx h GLY 146 Ca 0.01 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.72 1sqx h GLY 146 CO 0.01 0.00 -0.51 1.08 0.00 0.00 0.00 176.54 177.13 1sqx s LEU 147 N -7.52 4.31 0.39 3.11 1.43 -0.84 -4.79 118.68 114.77 1sqx s LEU 147 Ca -0.01 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 1sqx s LEU 147 Cb 0.12 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.40 1sqx s LEU 147 CO 0.73 0.18 0.03 -0.31 0.23 0.00 0.00 176.35 177.21 1sqx s TYR 148 N -1.48 2.52 -0.21 0.29 1.51 0.13 -4.69 117.35 115.43 1sqx s TYR 148 Ca 0.34 -0.60 -0.20 0.00 -1.01 0.00 0.00 57.07 55.59 1sqx s TYR 148 Cb -0.13 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1sqx s TYR 148 CO 0.26 0.42 0.62 0.12 -1.11 0.00 0.00 175.55 175.87 1sqx s PHE 149 N -2.65 3.36 -0.05 2.71 5.36 -1.26 -1.24 117.98 124.21 1sqx s PHE 149 Ca 0.36 0.89 -0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1sqx s PHE 149 Cb 0.07 -2.79 0.03 0.00 -0.34 0.00 0.00 43.02 39.98 1sqx s PHE 149 CO 0.19 -0.20 -0.01 1.21 -1.46 0.00 0.00 175.22 174.95 1sqx s ASN 150 N 1.25 1.04 0.37 6.13 3.84 -0.67 -4.05 114.94 122.86 1sqx s ASN 150 Ca 0.28 -0.07 0.09 0.00 0.21 0.00 0.00 52.86 53.37 1sqx s ASN 150 Cb -0.16 -0.36 0.72 0.00 -0.55 0.00 0.00 41.25 40.90 1sqx s ASN 150 CO 0.10 -0.13 1.87 1.55 -2.79 0.00 0.00 177.10 177.69 1sqx h PRO 151 N 7.71 0.20 0.00 0.43 0.13 -1.82 -3.21 132.00 135.44 1sqx h PRO 151 Ca -0.31 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.61 1sqx h PRO 151 Cb 1.13 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1sqx h PRO 151 CO 0.37 0.42 -0.71 1.88 -0.23 0.00 0.00 178.00 179.73 1sqx h TYR 152 N 0.19 0.00 -3.51 1.56 0.05 -1.88 -3.42 116.97 109.96 1sqx h TYR 152 Ca 0.03 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.28 1sqx h TYR 152 Cb 0.49 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.31 1sqx h TYR 152 CO 0.01 0.71 0.80 0.12 -1.05 0.00 0.00 178.16 178.75 1sqx s PHE 153 N -3.12 2.84 0.17 4.88 5.36 -1.21 -4.87 117.98 122.04 1sqx s PHE 153 Ca 0.01 0.99 -0.32 0.00 -0.96 0.00 0.00 56.93 56.66 1sqx s PHE 153 Cb 0.10 -3.94 -0.11 0.00 -0.34 0.00 0.00 43.02 38.74 1sqx s PHE 153 CO 0.77 -3.00 1.64 -1.25 -1.46 0.00 0.00 175.22 171.92 1sqx s PRO 154 N -0.87 4.18 0.00 10.12 0.04 -1.26 -2.43 135.00 144.77 1sqx s PRO 154 Ca 0.59 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1sqx s PRO 154 Cb -0.45 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1sqx s PRO 154 CO 0.50 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1sqx n GLY 155 N 3.87 2.51 3.85 0.56 0.00 -1.25 -4.52 105.19 110.20 1sqx n GLY 155 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1sqx n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqx n GLN 156 N -2.00 0.00 -3.54 1.61 3.00 -1.02 -4.79 117.38 110.64 1sqx n GLN 156 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1sqx n GLN 156 Cb 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 30.24 28.80 1sqx n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sqx s ALA 157 N -1.41 3.38 -0.11 -1.58 0.00 -1.26 -1.66 121.76 119.11 1sqx s ALA 157 Ca 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 51.96 49.77 1sqx s ALA 157 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1sqx s ALA 157 CO 0.00 -1.68 0.05 -1.50 0.00 0.00 0.00 175.76 172.62 1sqx s ILE 158 N 1.49 4.69 -0.70 0.00 2.07 -0.37 -4.88 121.20 123.50 1sqx s ILE 158 Ca 0.03 -0.10 0.20 0.00 -1.41 0.00 0.00 60.65 59.37 1sqx s ILE 158 Cb -0.24 -3.01 0.19 0.00 0.13 0.00 0.00 42.46 39.54 1sqx s ILE 158 CO 0.03 0.59 1.61 0.61 -1.91 0.00 0.00 174.94 175.88 1sqx n GLY 159 N 2.26 -1.17 3.67 1.50 0.00 -1.26 0.22 105.19 110.40 1sqx n GLY 159 Ca -0.19 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1sqx n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sqx s MET 160 N -3.18 4.27 0.32 1.61 0.00 -1.26 -4.80 119.30 116.26 1sqx s MET 160 Ca 0.05 0.86 -0.28 0.00 0.00 0.00 0.00 55.69 56.32 1sqx s MET 160 Cb 0.09 -3.57 -0.09 0.00 0.00 0.00 0.00 34.83 31.26 1sqx s MET 160 CO 0.34 -0.27 1.14 0.00 0.00 0.00 0.00 175.02 176.23 1sqx s ALA 161 N 1.98 3.34 -0.74 4.11 0.00 -1.26 -4.70 121.76 124.49 1sqx s ALA 161 Ca 0.35 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 1sqx s ALA 161 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1sqx s ALA 161 CO 0.12 -0.31 1.96 -2.14 0.00 0.00 0.00 175.76 175.38 1sqx s PRO 162 N -1.78 2.51 0.00 0.00 0.02 -1.26 -4.81 135.00 129.68 1sqx s PRO 162 Ca 0.49 0.27 0.22 0.00 0.02 0.00 0.00 61.00 62.00 1sqx s PRO 162 Cb -0.32 -4.70 0.99 0.00 0.02 0.00 0.00 34.50 30.49 1sqx s PRO 162 CO 0.41 -3.13 1.68 -0.35 -0.33 0.00 0.00 177.00 175.28 1sqx n PRO 163 N 9.02 1.44 -4.58 5.54 -0.04 -1.26 -4.73 135.00 140.38 1sqx n PRO 163 Ca 0.31 -0.65 -0.23 0.00 -0.04 0.00 0.00 63.50 62.89 1sqx n PRO 163 Cb 0.50 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.42 1sqx n PRO 163 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1sqx s ILE 164 N -1.90 1.09 0.34 0.52 -5.25 -1.26 -5.05 121.20 109.68 1sqx s ILE 164 Ca 0.33 -0.50 -0.08 0.00 -0.99 0.00 0.00 60.65 59.41 1sqx s ILE 164 Cb 0.17 -0.96 0.03 0.00 2.95 0.00 0.00 42.46 44.65 1sqx s ILE 164 CO 0.26 0.33 0.59 0.00 -1.79 0.00 0.00 174.94 174.34 1sqx n TYR 165 N 3.40 -1.83 -1.99 1.37 4.11 -1.26 -5.01 117.16 115.95 1sqx n TYR 165 Ca -0.20 -1.93 -0.42 0.00 -0.00 0.00 0.00 57.90 55.35 1sqx n TYR 165 Cb 0.53 0.69 -0.03 0.00 -0.00 0.00 0.00 39.34 40.53 1sqx n TYR 165 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1sqx s ASN 166 N -2.94 6.61 -0.62 9.48 0.01 -1.26 -3.74 114.94 122.47 1sqx s ASN 166 Ca 0.20 2.21 -0.04 0.00 -0.71 0.00 0.00 52.86 54.52 1sqx s ASN 166 Cb -0.03 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1sqx s ASN 166 CO 0.15 -0.98 0.54 -0.62 -1.51 0.00 0.00 177.10 174.69 1sqx n GLU 167 N 7.23 -3.66 -2.16 -0.60 1.02 0.14 -4.95 120.64 117.65 1sqx n GLU 167 Ca 0.18 0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 57.34 1sqx n GLU 167 Cb 0.43 -4.05 -0.04 0.00 -0.02 0.00 0.00 31.44 27.76 1sqx n GLU 167 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sqx s VAL 168 N -3.15 3.49 0.54 2.62 1.01 -1.25 -4.81 120.40 118.85 1sqx s VAL 168 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1sqx s VAL 168 Cb -0.12 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1sqx s VAL 168 CO 0.33 -1.15 0.00 0.18 0.00 0.00 0.00 175.10 174.46 1sqx n LEU 169 N 12.30 -0.92 -4.92 3.92 4.32 -1.26 -5.00 117.00 125.44 1sqx n LEU 169 Ca 0.25 2.13 -0.25 0.00 -0.02 0.00 0.00 56.01 58.12 1sqx n LEU 169 Cb 0.50 -3.67 -0.03 0.00 -1.62 0.00 0.00 43.42 38.60 1sqx n LEU 169 CO 0.67 -2.38 -0.11 -1.61 -1.22 0.00 0.00 177.39 172.75 1sqx s GLU 170 N -3.92 3.35 -0.06 3.23 2.02 -1.26 -4.82 118.70 117.24 1sqx s GLU 170 Ca 0.00 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.19 1sqx s GLU 170 Cb 0.00 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 1sqx s GLU 170 CO 0.00 0.50 0.34 -0.06 0.02 0.00 0.00 175.26 176.06 1sqx s PHE 171 N -1.78 3.65 0.36 1.61 0.08 -1.26 -5.02 117.98 115.61 1sqx s PHE 171 Ca 0.34 0.83 0.06 0.00 0.12 0.00 0.00 56.93 58.28 1sqx s PHE 171 Cb -0.11 -2.24 0.67 0.00 -0.57 0.00 0.00 43.02 40.78 1sqx s PHE 171 CO 0.28 0.57 1.91 0.38 -0.10 0.00 0.00 175.22 178.25 1sqx h ASP 172 N 5.19 0.43 1.34 1.36 2.03 -1.99 -2.03 116.42 122.75 1sqx h ASP 172 Ca -0.50 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 1sqx h ASP 172 Cb 1.21 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1sqx h ASP 172 CO 0.64 0.50 0.00 -2.24 -1.03 0.00 0.00 179.24 177.10 1sqx h ASP 173 N 0.45 0.00 -2.14 4.15 2.03 -2.01 -3.48 116.42 115.43 1sqx h ASP 173 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1sqx h ASP 173 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1sqx h ASP 173 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1sqx n GLY 174 N 0.73 -2.06 2.93 7.15 0.00 -0.76 -5.15 105.19 108.02 1sqx n GLY 174 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1sqx n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqx s THR 175 N 0.00 -0.04 -0.11 2.61 2.01 -1.25 -5.04 115.64 113.81 1sqx s THR 175 Ca 0.00 0.14 -0.34 0.00 0.31 0.00 0.00 61.69 61.80 1sqx s THR 175 Cb 0.00 -0.20 -0.11 0.00 0.01 0.00 0.00 72.50 72.19 1sqx s THR 175 CO 0.00 0.06 1.93 -2.65 -0.69 0.00 0.00 174.62 173.27 1sqx n PRO 176 N 3.89 2.11 -1.46 4.92 -0.02 -1.26 -4.23 135.00 138.95 1sqx n PRO 176 Ca -0.23 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 1sqx n PRO 176 Cb 0.54 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 1sqx n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqx n ALA 177 N 7.27 6.25 -1.56 3.55 0.00 -1.26 -4.85 120.51 129.91 1sqx n ALA 177 Ca 0.24 -3.04 -0.41 0.00 0.00 0.00 0.00 53.44 50.23 1sqx n ALA 177 Cb 0.30 -1.97 0.01 0.00 0.00 0.00 0.00 19.45 17.80 1sqx n ALA 177 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1sqx n THR 178 N 0.41 2.33 -0.35 0.00 5.66 -1.26 0.27 114.28 121.33 1sqx n THR 178 Ca 0.48 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 61.03 1sqx n THR 178 Cb 0.51 -0.94 0.21 0.00 -1.55 0.00 0.00 70.33 68.56 1sqx n THR 178 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1sqx h MET 179 N 1.21 0.97 -0.59 1.09 4.05 -1.93 0.40 114.93 120.13 1sqx h MET 179 Ca -0.43 -0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.01 1sqx h MET 179 Cb 1.36 -0.22 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 1sqx h MET 179 CO 0.55 0.64 0.24 0.77 0.23 0.00 0.00 176.91 179.33 1sqx h SER 180 N 1.00 0.26 0.55 1.39 0.02 -1.92 0.16 113.55 115.01 1sqx h SER 180 Ca 0.47 0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 61.26 1sqx h SER 180 Cb 0.39 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1sqx h SER 180 CO -0.24 0.16 -1.01 1.56 -1.14 0.00 0.00 176.83 176.17 1sqx h GLN 181 N 0.43 0.26 -0.83 3.45 1.08 -1.58 -0.36 115.11 117.57 1sqx h GLN 181 Ca 0.29 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1sqx h GLN 181 Cb 0.32 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 1sqx h GLN 181 CO -0.27 1.07 0.48 0.28 -0.95 0.00 0.00 178.83 179.44 1sqx h VAL 182 N 0.13 1.24 -0.27 -0.54 2.07 -0.77 -1.80 116.25 116.30 1sqx h VAL 182 Ca -0.08 -0.56 -0.18 0.00 0.82 0.00 0.00 66.70 66.70 1sqx h VAL 182 Cb 1.67 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1sqx h VAL 182 CO 0.16 0.26 -0.54 0.00 0.02 0.00 0.00 177.57 177.47 1sqx h ALA 183 N 1.26 0.53 -0.21 1.67 0.00 -0.65 -2.88 119.26 118.97 1sqx h ALA 183 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sqx h ALA 183 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sqx h ALA 183 CO -0.05 0.68 0.13 -0.22 0.00 0.00 0.00 179.25 179.79 1sqx h LYS 184 N 0.62 0.28 -0.28 0.00 3.11 -0.98 -2.68 116.57 116.64 1sqx h LYS 184 Ca 0.02 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 1sqx h LYS 184 Cb 1.13 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1sqx h LYS 184 CO 0.12 0.21 -0.31 -0.44 -2.81 0.00 0.00 179.45 176.21 1sqx h ASP 185 N 0.27 0.76 -0.72 4.20 3.32 -1.40 -2.05 116.42 120.80 1sqx h ASP 185 Ca 0.08 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 1sqx h ASP 185 Cb -0.00 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1sqx h ASP 185 CO -0.02 1.09 0.27 1.62 -1.72 0.00 0.00 179.24 180.49 1sqx h VAL 186 N 0.45 1.25 -0.07 -1.35 3.04 -1.55 -0.37 116.25 117.65 1sqx h VAL 186 Ca 0.04 -0.82 -0.13 0.00 -1.01 0.00 0.00 66.70 64.78 1sqx h VAL 186 Cb 0.89 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1sqx h VAL 186 CO 0.08 0.33 -0.53 0.00 -1.01 0.00 0.00 177.57 176.44 1sqx h THR 188 N 0.15 1.28 -0.14 0.00 2.02 -1.03 -2.26 112.91 112.93 1sqx h THR 188 Ca 0.00 -1.39 -0.18 0.00 0.77 0.00 0.00 66.41 65.60 1sqx h THR 188 Cb 0.98 1.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1sqx h THR 188 CO 0.08 0.45 -0.63 0.15 0.37 0.00 0.00 175.52 175.94 1sqx h PHE 189 N 0.52 0.91 0.00 3.16 3.57 -0.70 -3.17 116.94 121.23 1sqx h PHE 189 Ca 0.07 -0.39 -0.06 0.00 3.53 0.00 0.00 57.97 61.12 1sqx h PHE 189 Cb 0.77 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1sqx h PHE 189 CO 0.03 1.20 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.98 1sqx h LEU 190 N 0.36 0.00 -0.16 0.59 3.38 -0.41 0.18 115.31 119.25 1sqx h LEU 190 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1sqx h LEU 190 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1sqx h LEU 190 CO 0.13 0.27 0.07 -0.09 0.09 0.00 0.00 178.44 178.91 1sqx h ARG 191 N 0.00 0.24 -0.80 1.13 9.65 -1.49 -0.93 114.38 122.18 1sqx h ARG 191 Ca -0.00 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1sqx h ARG 191 Cb 0.63 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.13 1sqx h ARG 191 CO 0.03 0.30 0.34 2.35 2.80 0.00 0.00 179.97 185.80 1sqx h TRP 192 N 0.12 1.19 -0.89 2.20 7.01 -1.40 -1.43 115.95 122.74 1sqx h TRP 192 Ca 0.05 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 60.98 1sqx h TRP 192 Cb 0.14 -0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 1sqx h TRP 192 CO -0.02 0.89 0.58 0.00 -2.79 0.00 0.00 178.44 177.10 1sqx h ALA 193 N 1.18 1.13 0.00 2.65 0.00 -0.60 -2.11 119.26 121.51 1sqx h ALA 193 Ca 0.27 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1sqx h ALA 193 Cb 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1sqx h ALA 193 CO -0.03 0.54 -0.59 0.00 0.00 0.00 0.00 179.25 179.18 1sqx h ALA 194 N 1.32 0.92 -1.37 0.00 0.00 -0.99 -3.43 119.26 115.71 1sqx h ALA 194 Ca 0.33 -0.54 -0.27 0.00 0.00 0.00 0.00 54.91 54.43 1sqx h ALA 194 Cb -0.13 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.35 1sqx h ALA 194 CO -0.07 0.74 -0.62 -1.91 0.00 0.00 0.00 179.25 177.38 1sqx n GLU 195 N -3.68 0.44 0.22 0.00 2.13 -0.55 -4.94 120.64 114.26 1sqx n GLU 195 Ca -0.01 -2.35 0.15 0.00 0.66 0.00 0.00 57.16 55.61 1sqx n GLU 195 Cb 0.62 -1.52 0.50 0.00 0.27 0.00 0.00 31.44 31.31 1sqx n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1sqx h PRO 196 N 5.17 0.00 0.00 5.31 0.11 -1.63 -2.98 132.00 137.97 1sqx h PRO 196 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1sqx h PRO 196 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sqx h PRO 196 CO 0.11 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.05 1sqx n GLU 197 N -2.83 0.20 -0.37 1.05 0.00 -1.26 -4.46 120.64 112.97 1sqx n GLU 197 Ca 0.02 0.39 0.04 0.00 0.00 0.00 0.00 57.16 57.61 1sqx n GLU 197 Cb 0.35 -1.85 0.11 0.00 0.00 0.00 0.00 31.44 30.05 1sqx n GLU 197 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1sqx n HIS 198 N -2.22 0.26 0.08 -1.84 -0.00 -1.13 -0.81 115.22 109.57 1sqx n HIS 198 Ca 0.03 1.22 -0.08 0.00 0.46 0.00 0.00 57.72 59.34 1sqx n HIS 198 Cb 0.25 -1.02 0.02 0.00 -0.12 0.00 0.00 29.99 29.12 1sqx n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sqx h ASP 199 N 0.00 0.31 -0.16 0.26 5.19 -1.87 -3.05 116.42 117.09 1sqx h ASP 199 Ca 0.44 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 56.57 1sqx h ASP 199 Cb 0.69 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 1sqx h ASP 199 CO -1.02 0.99 -0.11 -0.74 -3.12 0.00 0.00 179.24 175.24 1sqx h HIS 200 N 0.15 0.42 -0.54 4.55 2.76 -1.27 -2.39 115.15 118.83 1sqx h HIS 200 Ca -0.04 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.02 1sqx h HIS 200 Cb 1.40 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.24 1sqx h HIS 200 CO 0.03 0.70 0.36 0.07 -1.30 0.00 0.00 177.93 177.79 1sqx h ARG 201 N 0.02 0.71 -0.04 5.26 0.11 -1.25 -0.75 114.38 118.45 1sqx h ARG 201 Ca 0.03 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 59.89 1sqx h ARG 201 Cb 0.61 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 1sqx h ARG 201 CO 0.03 0.47 -0.77 0.87 0.10 0.00 0.00 179.97 180.67 1sqx h LYS 202 N 0.73 0.26 -0.31 0.08 1.57 -1.56 -0.02 116.57 117.33 1sqx h LYS 202 Ca 0.20 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1sqx h LYS 202 Cb -0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1sqx h LYS 202 CO -0.04 0.91 0.13 -0.09 -0.57 0.00 0.00 179.45 179.79 1sqx h ARG 203 N 0.17 0.45 -0.22 3.15 2.43 -0.88 -2.29 114.38 117.19 1sqx h ARG 203 Ca -0.03 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1sqx h ARG 203 Cb 1.35 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1sqx h ARG 203 CO 0.12 0.46 -0.35 0.52 -1.51 0.00 0.00 179.97 179.21 1sqx h MET 204 N 0.35 0.48 -0.36 0.20 2.86 -1.13 -2.79 114.93 114.53 1sqx h MET 204 Ca 0.10 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1sqx h MET 204 Cb 0.17 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1sqx h MET 204 CO -0.01 0.76 0.06 0.78 1.06 0.00 0.00 176.91 179.57 1sqx h GLY 205 N 1.08 0.41 1.02 8.32 0.00 -0.91 0.42 103.07 113.40 1sqx h GLY 205 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1sqx h GLY 205 CO 0.06 -0.03 0.59 -2.00 0.00 0.00 0.00 176.54 175.16 1sqx h LEU 206 N 0.18 1.13 -0.25 3.11 5.85 -1.32 0.94 115.31 124.96 1sqx h LEU 206 Ca 0.17 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1sqx h LEU 206 Cb 0.20 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1sqx h LEU 206 CO -0.23 0.86 0.08 0.11 -0.34 0.00 0.00 178.44 178.92 1sqx h LYS 207 N 1.30 0.38 -0.21 1.25 1.57 -1.18 -1.40 116.57 118.27 1sqx h LYS 207 Ca 0.34 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1sqx h LYS 207 Cb -0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1sqx h LYS 207 CO -0.07 0.44 -0.13 1.98 -0.57 0.00 0.00 179.45 181.10 1sqx h MET 208 N 0.24 -0.12 -0.45 3.15 4.05 0.10 0.17 114.93 122.07 1sqx h MET 208 Ca 0.08 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1sqx h MET 208 Cb 0.22 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1sqx h MET 208 CO -0.00 -0.08 0.25 -0.07 0.23 0.00 0.00 176.91 177.24 1sqx h LEU 209 N -0.12 0.56 -0.42 3.39 3.38 -0.79 -0.54 115.31 120.77 1sqx h LEU 209 Ca 0.12 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1sqx h LEU 209 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1sqx h LEU 209 CO -0.29 0.49 -0.16 -0.07 0.09 0.00 0.00 178.44 178.50 1sqx h LEU 210 N 0.60 0.87 -0.38 1.67 3.38 -0.97 -0.59 115.31 119.89 1sqx h LEU 210 Ca 0.16 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1sqx h LEU 210 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1sqx h LEU 210 CO -0.03 1.06 0.22 0.24 0.09 0.00 0.00 178.44 180.02 1sqx h MET 211 N 0.68 0.53 -0.14 1.13 2.86 -0.62 -2.51 114.93 116.85 1sqx h MET 211 Ca 0.10 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1sqx h MET 211 Cb 0.71 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1sqx h MET 211 CO 0.05 0.42 -0.26 1.98 1.06 0.00 0.00 176.91 180.16 1sqx h MET 212 N 0.49 0.25 0.00 1.72 4.05 -1.00 0.21 114.93 120.65 1sqx h MET 212 Ca 0.14 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1sqx h MET 212 Cb 0.04 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1sqx h MET 212 CO -0.02 0.50 -0.09 0.78 0.23 0.00 0.00 176.91 178.30 1sqx h GLY 213 N 0.98 0.00 0.00 1.39 0.00 -0.91 0.12 103.07 104.66 1sqx h GLY 213 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1sqx h GLY 213 CO 0.04 0.00 -0.43 -2.00 0.00 0.00 0.00 176.54 174.15 1sqx h LEU 214 N 0.00 0.00 -0.43 3.11 5.85 -0.87 -3.42 115.31 119.55 1sqx h LEU 214 Ca -0.00 -0.47 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 1sqx h LEU 214 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1sqx h LEU 214 CO 0.01 0.98 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.48 1sqx h LEU 215 N -1.00 0.76 -0.18 2.25 3.38 -0.52 -2.64 115.31 117.36 1sqx h LEU 215 Ca -0.09 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1sqx h LEU 215 Cb 0.77 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sqx h LEU 215 CO -0.06 1.15 0.10 -0.07 0.09 0.00 0.00 178.44 179.66 1sqx h LEU 216 N 0.53 0.23 -0.97 1.67 3.38 -1.20 0.23 115.31 119.17 1sqx h LEU 216 Ca 0.01 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1sqx h LEU 216 Cb 1.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1sqx h LEU 216 CO 0.11 0.24 -0.44 1.55 0.09 0.00 0.00 178.44 179.99 1sqx h PRO 217 N 0.20 0.16 0.01 1.13 0.13 -1.77 -2.63 132.00 129.23 1sqx h PRO 217 Ca 0.06 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1sqx h PRO 217 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1sqx h PRO 217 CO -0.01 0.57 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.26 1sqx h LEU 218 N 0.13 -0.02 -1.14 1.56 3.38 -1.34 -1.39 115.31 116.50 1sqx h LEU 218 Ca 0.01 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1sqx h LEU 218 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1sqx h LEU 218 CO 0.06 0.38 0.16 0.58 0.09 0.00 0.00 178.44 179.72 1sqx h VAL 219 N -0.42 1.21 -0.54 1.22 2.07 -1.06 -1.10 116.25 117.62 1sqx h VAL 219 Ca -0.00 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1sqx h VAL 219 Cb 0.41 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1sqx h VAL 219 CO 0.00 0.27 0.26 0.22 0.02 0.00 0.00 177.57 178.34 1sqx h TYR 220 N 0.76 0.47 -0.39 1.57 3.20 -1.45 0.10 116.97 121.22 1sqx h TYR 220 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1sqx h TYR 220 Cb 0.22 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1sqx h TYR 220 CO 0.01 0.21 -0.01 0.00 -1.64 0.00 0.00 178.16 176.73 1sqx h ALA 221 N 1.31 0.53 -0.52 1.82 0.00 -0.79 0.13 119.26 121.74 1sqx h ALA 221 Ca 0.25 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1sqx h ALA 221 Cb 0.20 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1sqx h ALA 221 CO -0.19 0.31 0.14 0.52 0.00 0.00 0.00 179.25 180.03 1sqx h MET 222 N 0.52 0.29 -0.27 0.00 2.86 -0.95 0.35 114.93 117.73 1sqx h MET 222 Ca 0.11 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 1sqx h MET 222 Cb 0.48 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1sqx h MET 222 CO 0.02 0.19 -0.25 1.57 1.06 0.00 0.00 176.91 179.50 1sqx h LYS 223 N 0.30 0.64 -0.58 1.72 5.09 -0.62 -2.86 116.57 120.25 1sqx h LYS 223 Ca 0.26 -0.33 -0.00 0.00 0.09 0.00 0.00 60.65 60.66 1sqx h LYS 223 Cb 0.33 0.01 -0.03 0.00 0.10 0.00 0.00 32.23 32.64 1sqx h LYS 223 CO -0.30 0.94 0.35 0.00 -2.09 0.00 0.00 179.45 178.34 1sqx h ARG 224 N 0.37 0.79 -0.70 0.07 2.47 -0.47 -1.20 114.38 115.70 1sqx h ARG 224 Ca 0.04 -0.07 0.11 0.00 -1.26 0.00 0.00 59.98 58.80 1sqx h ARG 224 Cb 0.81 -0.17 -0.08 0.00 -1.65 0.00 0.00 29.97 28.89 1sqx h ARG 224 CO 0.06 0.57 0.32 1.25 0.56 0.00 0.00 179.97 182.73 1sqx h HIS 225 N 0.79 0.56 -0.17 3.04 2.76 -0.29 0.27 115.15 122.10 1sqx h HIS 225 Ca 0.21 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.21 1sqx h HIS 225 Cb -0.02 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 28.81 1sqx h HIS 225 CO -0.02 0.16 -0.69 -0.22 -1.30 0.00 0.00 177.93 175.86 1sqx h LYS 226 N 0.52 0.77 0.00 5.26 1.63 -1.40 -3.25 116.57 120.10 1sqx h LYS 226 Ca 0.36 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1sqx h LYS 226 Cb 0.44 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1sqx h LYS 226 CO -0.31 1.21 0.00 0.91 -3.45 0.00 0.00 179.45 177.81 1sqx n TRP 227 N -4.00 0.76 -0.32 1.91 7.02 -0.47 -3.42 117.44 118.92 1sqx n TRP 227 Ca -0.07 0.27 0.08 0.00 -1.02 0.00 0.00 57.50 56.75 1sqx n TRP 227 Cb 0.70 -0.93 0.16 0.00 -2.42 0.00 0.00 31.31 28.82 1sqx n TRP 227 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1sqx n SER 228 N -2.16 -0.26 -0.29 -0.99 2.88 0.86 -0.54 113.62 113.11 1sqx n SER 228 Ca 0.04 1.54 -0.05 0.00 -1.33 0.00 0.00 58.87 59.06 1sqx n SER 228 Cb 0.29 -0.49 0.09 0.00 -0.75 0.00 0.00 64.21 63.35 1sqx n SER 228 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1sqx h VAL 229 N 0.00 1.26 0.14 2.46 2.07 -1.79 -2.41 116.25 117.98 1sqx h VAL 229 Ca 0.46 -0.77 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 1sqx h VAL 229 Cb 0.78 0.25 0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1sqx h VAL 229 CO -0.90 0.32 -0.90 -0.07 0.02 0.00 0.00 177.57 176.04 1sqx h LEU 230 N 1.16 0.47 -1.48 2.57 3.38 -1.61 -3.25 115.31 116.55 1sqx h LEU 230 Ca 0.27 -0.94 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 1sqx h LEU 230 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sqx h LEU 230 CO -0.03 1.43 -0.23 0.11 0.09 0.00 0.00 178.44 179.81 1sqx h LYS 231 N -0.35 0.00 -0.07 1.13 1.79 -0.72 -2.63 116.57 115.71 1sqx h LYS 231 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1sqx h LYS 231 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1sqx h LYS 231 CO 0.14 0.23 0.00 -1.13 -1.08 0.00 0.00 179.45 177.62 1sqx n SER 232 N -3.70 2.75 -4.74 0.86 3.41 -0.92 -5.02 113.62 106.27 1sqx n SER 232 Ca -0.01 -1.85 -0.40 0.00 -0.26 0.00 0.00 58.87 56.36 1sqx n SER 232 Cb 0.35 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1sqx n SER 232 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1sqx n ARG 233 N 1.14 1.91 -5.14 4.33 1.85 -0.99 -5.02 116.66 114.73 1sqx n ARG 233 Ca 0.12 0.69 -0.32 0.00 -1.00 0.00 0.00 57.85 57.34 1sqx n ARG 233 Cb 0.51 -2.54 -0.16 0.00 -1.05 0.00 0.00 32.46 29.21 1sqx n ARG 233 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1sqx s LYS 234 N -2.58 2.98 -0.12 2.89 3.01 -1.26 -5.08 119.74 119.58 1sqx s LYS 234 Ca 0.66 -0.85 -0.06 0.00 -1.01 0.00 0.00 55.97 54.71 1sqx s LYS 234 Cb -0.45 -2.33 -0.04 0.00 -1.01 0.00 0.00 37.83 34.00 1sqx s LYS 234 CO 0.54 0.25 0.12 -0.51 0.51 0.00 0.00 175.35 176.25 1sqx s LEU 235 N 0.19 4.25 0.01 3.17 1.43 -1.26 -5.12 118.68 121.35 1sqx s LEU 235 Ca -0.13 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1sqx s LEU 235 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1sqx s LEU 235 CO 0.07 0.39 -0.16 0.00 0.23 0.00 0.00 176.35 176.88 1sqx s ALA 236 N -0.92 1.31 -0.23 4.21 0.00 -1.26 -5.14 121.76 119.73 1sqx s ALA 236 Ca 0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1sqx s ALA 236 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1sqx s ALA 236 CO 0.03 0.30 0.00 -0.47 0.00 0.00 0.00 175.76 175.63 1sqx s TYR 237 N -0.54 3.01 -0.56 0.00 5.04 -1.26 -5.06 117.35 117.98 1sqx s TYR 237 Ca 0.05 -0.71 0.07 0.00 -2.44 0.00 0.00 57.07 54.04 1sqx s TYR 237 Cb -0.07 -2.16 0.25 0.00 0.35 0.00 0.00 41.96 40.33 1sqx s TYR 237 CO 0.00 -0.46 0.67 0.54 -1.34 0.00 0.00 175.55 174.97 1sqx n ARG 238 N 4.83 1.95 -1.88 4.97 1.74 -1.26 -5.12 116.66 121.89 1sqx n ARG 238 Ca -0.17 -4.21 -0.33 0.00 -0.77 0.00 0.00 57.85 52.37 1sqx n ARG 238 Cb 0.51 -1.92 0.03 0.00 -1.02 0.00 0.00 32.46 30.06 1sqx n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sqx s PRO 239 N -2.06 3.03 0.83 5.56 0.04 -1.26 -5.03 135.00 136.11 1sqx s PRO 239 Ca 0.38 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 1sqx s PRO 239 Cb 0.16 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.80 1sqx s PRO 239 CO -0.04 -1.06 1.09 -1.25 0.04 0.00 0.00 177.00 175.78 1sqx s PRO 240 N -4.11 1.78 0.00 0.56 0.04 -1.26 -5.35 135.00 126.66 1sqx s PRO 240 Ca 0.65 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1sqx s PRO 240 Cb -0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1sqx s PRO 240 CO 0.40 -1.94 0.00 0.36 0.04 0.00 0.00 177.00 175.85