#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb n ASP 2 N 0.00 1.95 -4.73 6.43 8.00 -1.26 -4.59 116.55 122.35 1sqb n ASP 2 Ca 0.00 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.41 1sqb n ASP 2 Cb 0.00 -0.81 0.08 0.00 -0.02 0.00 0.00 41.12 40.37 1sqb n ASP 2 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sqb s LEU 3 N -7.41 3.51 0.14 0.64 1.43 -1.26 -5.05 118.68 110.68 1sqb s LEU 3 Ca -0.33 2.59 -0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1sqb s LEU 3 Cb 0.10 -4.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1sqb s LEU 3 CO 0.57 -2.11 0.05 -0.70 0.23 0.00 0.00 176.35 174.38 1sqb s GLU 4 N -3.50 0.98 -0.03 1.70 2.12 -1.26 -4.95 118.70 113.76 1sqb s GLU 4 Ca 0.81 -1.47 0.03 0.00 0.36 0.00 0.00 54.97 54.70 1sqb s GLU 4 Cb -0.36 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.15 1sqb s GLU 4 CO 0.41 -0.23 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.63 1sqb s LEU 5 N -3.08 1.76 -0.00 2.70 2.96 -1.26 -5.15 118.68 116.59 1sqb s LEU 5 Ca 0.25 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1sqb s LEU 5 Cb 0.07 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 1sqb s LEU 5 CO 0.03 0.07 0.31 -1.00 -1.32 0.00 0.00 176.35 174.43 1sqb s HIS 6 N 0.27 3.62 0.57 5.38 3.76 -1.26 -4.77 115.29 122.86 1sqb s HIS 6 Ca -0.05 0.71 -0.21 0.00 -0.15 0.00 0.00 55.06 55.37 1sqb s HIS 6 Cb -0.10 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1sqb s HIS 6 CO 0.01 0.62 1.32 -1.25 -0.85 0.00 0.00 174.74 174.59 1sqb s PRO 7 N -1.50 3.03 0.85 8.40 0.04 -1.26 -5.06 135.00 139.51 1sqb s PRO 7 Ca 0.26 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 1sqb s PRO 7 Cb -0.14 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.38 1sqb s PRO 7 CO 0.14 -1.25 1.21 -1.25 0.04 0.00 0.00 177.00 175.89 1sqb s PRO 8 N -3.04 1.46 -0.62 0.56 0.04 -1.26 -4.99 135.00 127.14 1sqb s PRO 8 Ca 0.74 -0.19 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 1sqb s PRO 8 Cb -0.38 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.31 1sqb s PRO 8 CO 0.44 -1.87 0.75 -1.12 0.04 0.00 0.00 177.00 175.24 1sqb s SER 9 N -4.70 6.22 0.22 6.66 0.01 -1.26 -4.87 113.70 115.98 1sqb s SER 9 Ca 0.67 -1.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 1sqb s SER 9 Cb -0.08 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 1sqb s SER 9 CO 0.50 -1.13 1.06 -0.31 0.41 0.00 0.00 173.24 173.77 1sqb s TYR 10 N 2.74 3.67 -1.52 2.43 2.02 -1.26 -4.95 117.35 120.48 1sqb s TYR 10 Ca 0.14 1.70 -0.13 0.00 -0.37 0.00 0.00 57.07 58.41 1sqb s TYR 10 Cb -0.22 -3.21 -0.01 0.00 -0.40 0.00 0.00 41.96 38.12 1sqb s TYR 10 CO 0.05 -0.36 2.50 -0.35 -1.57 0.00 0.00 175.55 175.83 1sqb n PRO 11 N 1.85 3.17 -1.64 -1.71 -0.04 -1.26 -4.96 135.00 130.41 1sqb n PRO 11 Ca 0.01 -2.46 -0.42 0.00 -0.04 0.00 0.00 63.50 60.59 1sqb n PRO 11 Cb 0.46 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1sqb n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1sqb n TRP 12 N 5.17 1.61 0.54 0.54 7.02 -1.26 -4.87 117.44 126.18 1sqb n TRP 12 Ca 0.62 0.57 0.06 0.00 -1.02 0.00 0.00 57.50 57.73 1sqb n TRP 12 Cb 0.33 -2.30 0.30 0.00 -2.42 0.00 0.00 31.31 27.22 1sqb n TRP 12 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1sqb n SER 13 N 0.61 0.00 -0.02 -0.99 2.88 -1.26 -3.07 113.62 111.77 1sqb n SER 13 Ca 0.08 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1sqb n SER 13 Cb 0.37 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 1sqb n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqb n HIS 14 N -1.36 0.00 -2.55 0.66 -0.00 -1.26 -4.46 115.22 106.25 1sqb n HIS 14 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.35 1sqb n HIS 14 Cb 0.12 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.99 29.83 1sqb n HIS 14 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1sqb s ARG 15 N -2.33 3.47 0.00 -1.40 0.52 -1.17 -4.39 118.95 113.65 1sqb s ARG 15 Ca -0.03 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1sqb s ARG 15 Cb 0.03 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.47 1sqb s ARG 15 CO 0.29 -1.74 0.00 0.41 0.02 0.00 0.00 175.30 174.28 1sqb n GLY 16 N 5.10 3.88 0.33 -3.53 0.00 -1.26 -4.72 105.19 104.99 1sqb n GLY 16 Ca 0.09 -0.23 0.23 0.00 0.00 0.00 0.00 46.02 46.11 1sqb n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sqb h LEU 17 N 0.00 0.18 -4.08 0.99 -0.00 -2.02 -1.11 115.31 109.27 1sqb h LEU 17 Ca 0.00 0.23 -0.44 0.00 -0.00 0.00 0.00 57.88 57.67 1sqb h LEU 17 Cb 0.00 0.27 -0.40 0.00 -0.00 0.00 0.00 40.66 40.53 1sqb h LEU 17 CO 0.00 -0.29 -0.88 0.18 -0.00 0.00 0.00 178.44 177.45 1sqb n LEU 18 N -5.23 3.97 -4.33 1.67 4.77 -1.26 -4.87 117.00 111.71 1sqb n LEU 18 Ca 0.31 -4.26 -0.39 0.00 -0.03 0.00 0.00 56.01 51.64 1sqb n LEU 18 Cb 1.01 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.82 1sqb n LEU 18 CO 0.03 1.80 -0.21 -0.44 -1.33 0.00 0.00 177.39 177.23 1sqb s SER 19 N -3.60 5.50 0.55 -1.43 0.01 -0.42 -5.01 113.70 109.29 1sqb s SER 19 Ca 0.44 -1.00 -0.17 0.00 1.31 0.00 0.00 55.95 56.53 1sqb s SER 19 Cb 0.39 -1.95 -0.06 0.00 0.21 0.00 0.00 66.02 64.61 1sqb s SER 19 CO 0.01 -0.33 1.04 -0.94 0.41 0.00 0.00 173.24 173.43 1sqb s SER 20 N 1.49 6.06 0.41 2.44 1.04 -1.26 -4.51 113.70 119.38 1sqb s SER 20 Ca 0.01 1.84 -0.26 0.00 0.48 0.00 0.00 55.95 58.02 1sqb s SER 20 Cb -0.19 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.30 1sqb s SER 20 CO 0.05 -0.98 1.29 -0.76 0.98 0.00 0.00 173.24 173.83 1sqb s LEU 21 N -4.08 4.19 -0.50 2.42 1.43 -1.26 -4.23 118.68 116.64 1sqb s LEU 21 Ca 0.65 2.63 -0.28 0.00 -1.03 0.00 0.00 54.13 56.10 1sqb s LEU 21 Cb -0.16 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 1sqb s LEU 21 CO 0.30 -0.88 1.67 -0.62 0.23 0.00 0.00 176.35 177.05 1sqb s ASP 22 N -0.79 5.80 0.34 2.29 -1.08 -1.26 -4.88 116.67 117.08 1sqb s ASP 22 Ca 0.58 0.64 0.10 0.00 -0.52 0.00 0.00 52.55 53.35 1sqb s ASP 22 Cb -0.37 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.15 1sqb s ASP 22 CO 0.48 -1.90 1.77 0.45 0.52 0.00 0.00 175.17 176.48 1sqb h HIS 23 N 12.82 0.13 -0.39 -5.34 3.86 -1.92 -1.53 115.15 122.77 1sqb h HIS 23 Ca -0.28 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 58.79 1sqb h HIS 23 Cb 1.14 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 1sqb h HIS 23 CO 1.01 0.48 -0.18 1.15 0.86 0.00 0.00 177.93 181.25 1sqb h THR 24 N 0.10 1.26 -0.04 2.45 2.02 -1.92 -0.64 112.91 116.14 1sqb h THR 24 Ca 0.01 -1.26 -0.13 0.00 0.77 0.00 0.00 66.41 65.80 1sqb h THR 24 Cb 0.73 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1sqb h THR 24 CO 0.05 0.42 -0.58 -1.28 0.37 0.00 0.00 175.52 174.51 1sqb h SER 25 N 0.66 0.15 -0.11 4.18 0.87 -1.90 -0.89 113.55 116.51 1sqb h SER 25 Ca 0.10 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1sqb h SER 25 Cb 0.67 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1sqb h SER 25 CO 0.05 0.69 -0.00 0.40 -0.53 0.00 0.00 176.83 177.44 1sqb h ILE 26 N 0.10 1.25 0.00 2.23 2.04 -1.16 -1.92 117.51 120.06 1sqb h ILE 26 Ca -0.00 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1sqb h ILE 26 Cb 1.05 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1sqb h ILE 26 CO 0.08 0.23 -0.23 -0.09 0.00 0.00 0.00 178.15 178.14 1sqb h ARG 27 N -0.08 -0.36 -0.96 2.37 2.43 -0.93 0.84 114.38 117.69 1sqb h ARG 27 Ca 0.03 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1sqb h ARG 27 Cb 0.36 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1sqb h ARG 27 CO 0.01 -0.24 0.61 0.00 -1.51 0.00 0.00 179.97 178.84 1sqb h ARG 28 N -0.37 1.07 -0.12 0.20 3.08 -1.25 -2.46 114.38 114.54 1sqb h ARG 28 Ca 0.06 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1sqb h ARG 28 Cb 0.45 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1sqb h ARG 28 CO -0.21 0.71 -0.32 0.78 -1.07 0.00 0.00 179.97 179.86 1sqb h GLY 29 N 1.10 0.25 1.00 0.04 0.00 -0.57 -2.06 103.07 102.83 1sqb h GLY 29 Ca 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1sqb h GLY 29 CO -0.18 0.19 0.35 -2.75 0.00 0.00 0.00 176.54 174.15 1sqb h PHE 30 N 0.20 0.75 -0.69 5.60 3.57 -0.37 -0.14 116.94 125.86 1sqb h PHE 30 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1sqb h PHE 30 Cb 0.68 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1sqb h PHE 30 CO 0.01 0.52 0.45 1.96 -2.23 0.00 0.00 178.31 179.01 1sqb h GLN 31 N 0.77 0.92 0.00 1.11 4.20 -1.37 0.33 115.11 121.08 1sqb h GLN 31 Ca 0.21 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1sqb h GLN 31 Cb -0.02 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 1sqb h GLN 31 CO -0.04 0.62 -0.11 0.28 -0.67 0.00 0.00 178.83 178.92 1sqb h VAL 32 N 0.94 0.87 0.18 -0.54 2.07 -1.05 -1.40 116.25 117.32 1sqb h VAL 32 Ca 0.25 -0.39 -0.30 0.00 0.82 0.00 0.00 66.70 67.08 1sqb h VAL 32 Cb -0.08 1.22 0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1sqb h VAL 32 CO -0.05 0.10 -1.36 0.22 0.02 0.00 0.00 177.57 176.50 1sqb h TYR 33 N 0.00 0.68 -0.65 1.57 3.20 -0.29 -3.31 116.97 118.18 1sqb h TYR 33 Ca -0.00 -0.50 -0.01 0.00 3.14 0.00 0.00 58.73 61.36 1sqb h TYR 33 Cb 0.22 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1sqb h TYR 33 CO 0.00 1.40 0.38 -0.22 -1.64 0.00 0.00 178.16 178.08 1sqb h LYS 34 N 0.10 0.89 0.02 1.82 3.11 0.76 -2.01 116.57 121.26 1sqb h LYS 34 Ca -0.19 -0.09 -0.38 0.00 -2.81 0.00 0.00 60.65 57.18 1sqb h LYS 34 Cb 2.05 -0.18 -0.05 0.00 -1.00 0.00 0.00 32.23 33.05 1sqb h LYS 34 CO 0.23 0.65 -2.11 1.04 -2.81 0.00 0.00 179.45 176.44 1sqb n GLN 35 N -4.56 0.62 0.03 1.90 3.00 -1.08 -4.63 117.38 112.65 1sqb n GLN 35 Ca 0.05 0.33 -0.02 0.00 -0.01 0.00 0.00 57.00 57.35 1sqb n GLN 35 Cb 0.07 -1.60 -0.01 0.00 0.00 0.00 0.00 30.24 28.71 1sqb n GLN 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1sqb h VAL 36 N -0.68 0.00 0.15 5.09 2.07 -1.67 -3.42 116.25 117.78 1sqb h VAL 36 Ca -0.55 -0.16 -0.33 0.00 0.82 0.00 0.00 66.70 66.48 1sqb h VAL 36 Cb 1.64 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1sqb h VAL 36 CO -0.24 0.00 -1.66 0.00 0.02 0.00 0.00 177.57 175.69 1sqb h SER 38 N 0.08 0.00 -0.12 0.00 4.64 -1.55 0.43 113.55 117.04 1sqb h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1sqb h SER 38 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1sqb h SER 38 CO 0.16 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.58 1sqb n SER 39 N -3.44 1.25 0.00 4.97 3.41 -1.26 -4.23 113.62 114.32 1sqb n SER 39 Ca 0.09 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 1sqb n SER 39 Cb 0.77 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1sqb n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqb s HIS 41 N -0.70 2.72 0.45 0.00 4.02 0.12 -4.83 115.29 117.07 1sqb s HIS 41 Ca 0.00 -1.39 -0.21 0.00 1.02 0.00 0.00 55.06 54.49 1sqb s HIS 41 Cb 0.00 -1.86 -0.10 0.00 -1.02 0.00 0.00 32.58 29.60 1sqb s HIS 41 CO 0.00 -0.65 0.98 -1.54 1.02 0.00 0.00 174.74 174.55 1sqb s SER 42 N 0.97 6.74 -0.41 1.40 1.04 -1.26 -4.29 113.70 117.89 1sqb s SER 42 Ca -0.03 1.75 0.10 0.00 0.48 0.00 0.00 55.95 58.26 1sqb s SER 42 Cb -0.15 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.77 1sqb s SER 42 CO -0.05 -0.50 0.77 0.80 0.98 0.00 0.00 173.24 175.24 1sqb n MET 43 N -0.79 1.42 0.21 4.02 0.00 -1.26 0.40 117.12 121.11 1sqb n MET 43 Ca 0.08 -3.68 0.12 0.00 0.00 0.00 0.00 57.70 54.22 1sqb n MET 43 Cb 0.54 -1.80 0.65 0.00 0.00 0.00 0.00 33.22 32.61 1sqb n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1sqb h ASP 44 N 3.04 0.00 -0.01 6.12 3.32 -1.93 -2.71 116.42 124.25 1sqb h ASP 44 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1sqb h ASP 44 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1sqb h ASP 44 CO 0.56 0.00 -0.32 -1.22 -1.72 0.00 0.00 179.24 176.55 1sqb n TYR 45 N -2.39 0.00 -4.62 4.55 4.01 -1.26 -4.87 117.16 112.57 1sqb n TYR 45 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 1sqb n TYR 45 Cb 0.14 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.05 1sqb n TYR 45 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sqb s VAL 46 N -1.73 3.51 0.44 -0.72 1.01 -1.02 -5.07 120.40 116.82 1sqb s VAL 46 Ca 0.10 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1sqb s VAL 46 Cb 0.11 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1sqb s VAL 46 CO 0.36 0.54 0.31 0.00 0.00 0.00 0.00 175.10 176.31 1sqb s ALA 47 N -0.01 3.97 0.27 5.51 0.00 -1.26 -1.58 121.76 128.66 1sqb s ALA 47 Ca -0.01 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.16 1sqb s ALA 47 Cb -0.14 -0.72 0.36 0.00 0.00 0.00 0.00 23.12 22.63 1sqb s ALA 47 CO 0.03 -0.25 1.65 1.88 0.00 0.00 0.00 175.76 179.07 1sqb h TYR 48 N 1.11 0.41 0.00 0.00 0.05 -1.41 -3.04 116.97 114.09 1sqb h TYR 48 Ca -0.41 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.23 1sqb h TYR 48 Cb 1.27 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.92 1sqb h TYR 48 CO 0.66 0.72 -0.12 0.07 -1.05 0.00 0.00 178.16 178.44 1sqb h ARG 49 N 0.29 0.00 -0.28 4.88 0.11 -1.57 -2.54 114.38 115.27 1sqb h ARG 49 Ca 0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 1sqb h ARG 49 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 1sqb h ARG 49 CO 0.07 0.12 0.13 0.45 0.10 0.00 0.00 179.97 180.85 1sqb h HIS 50 N 0.00 0.38 0.00 4.08 3.86 -1.83 -2.64 115.15 119.00 1sqb h HIS 50 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1sqb h HIS 50 Cb 0.25 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1sqb h HIS 50 CO 0.00 0.29 -0.15 -0.07 0.86 0.00 0.00 177.93 178.86 1sqb h LEU 51 N 0.39 0.00 -9.61 2.43 3.38 -1.59 -3.44 115.31 106.88 1sqb h LEU 51 Ca 0.10 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.55 1sqb h LEU 51 Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.85 1sqb h LEU 51 CO -0.01 0.15 1.02 -0.69 0.09 0.00 0.00 178.44 178.99 1sqb s VAL 52 N -3.52 2.27 0.00 1.22 1.01 -1.00 -1.89 120.40 118.49 1sqb s VAL 52 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1sqb s VAL 52 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1sqb s VAL 52 CO 0.62 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1sqb n GLY 53 N 4.01 0.54 0.24 4.51 0.00 -0.56 -4.81 105.19 109.11 1sqb n GLY 53 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1sqb n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sqb n VAL 54 N -2.17 0.30 -0.00 1.61 0.31 -0.79 -4.91 118.33 112.67 1sqb n VAL 54 Ca 0.00 0.35 0.02 0.00 -0.01 0.00 0.00 64.34 64.70 1sqb n VAL 54 Cb 0.05 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.40 1sqb n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqb s TYR 56 N -2.28 1.25 0.90 0.00 2.02 -1.20 -4.84 117.35 113.21 1sqb s TYR 56 Ca -0.02 -0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 55.90 1sqb s TYR 56 Cb 0.03 -0.65 0.13 0.00 -0.40 0.00 0.00 41.96 41.06 1sqb s TYR 56 CO 0.18 0.08 1.14 0.95 -1.57 0.00 0.00 175.55 176.33 1sqb s THR 57 N -2.71 2.02 0.22 -0.71 -4.23 -1.26 -1.50 115.64 107.45 1sqb s THR 57 Ca 0.11 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.54 1sqb s THR 57 Cb -0.01 -2.78 0.16 0.00 1.34 0.00 0.00 72.50 71.21 1sqb s THR 57 CO 0.01 -0.01 1.84 -0.08 -0.54 0.00 0.00 174.62 175.85 1sqb h GLU 58 N -1.44 0.84 -0.63 3.99 4.81 -1.96 -1.76 114.58 118.42 1sqb h GLU 58 Ca -0.50 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 1sqb h GLU 58 Cb 1.33 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1sqb h GLU 58 CO 0.62 0.55 0.06 -0.44 -0.73 0.00 0.00 179.01 179.08 1sqb h ASP 59 N 0.86 1.03 -0.26 1.04 5.19 -2.00 -2.50 116.42 119.78 1sqb h ASP 59 Ca 0.31 -0.26 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1sqb h ASP 59 Cb 0.07 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1sqb h ASP 59 CO -0.13 1.04 -0.00 -0.33 -3.12 0.00 0.00 179.24 176.70 1sqb h GLU 60 N 0.99 0.47 -0.12 3.56 5.08 -1.87 -2.84 114.58 119.85 1sqb h GLU 60 Ca 0.19 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1sqb h GLU 60 Cb 0.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1sqb h GLU 60 CO 0.02 0.63 -0.36 0.00 -1.00 0.00 0.00 179.01 178.30 1sqb h ALA 61 N 0.82 1.18 -0.57 3.43 0.00 -1.27 -2.09 119.26 120.76 1sqb h ALA 61 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1sqb h ALA 61 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1sqb h ALA 61 CO 0.01 0.55 0.06 0.87 0.00 0.00 0.00 179.25 180.74 1sqb h LYS 62 N 0.20 0.96 -0.34 0.00 1.57 -1.47 -2.39 116.57 115.10 1sqb h LYS 62 Ca 0.02 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1sqb h LYS 62 Cb 0.74 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1sqb h LYS 62 CO 0.06 0.93 -0.13 0.00 -0.57 0.00 0.00 179.45 179.74 1sqb h ALA 63 N 0.99 1.15 0.00 3.86 0.00 -1.20 -2.27 119.26 121.80 1sqb h ALA 63 Ca 0.17 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1sqb h ALA 63 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sqb h ALA 63 CO 0.02 0.54 -0.72 -0.07 0.00 0.00 0.00 179.25 179.01 1sqb h LEU 64 N 0.54 0.00 -0.36 0.00 3.38 -1.38 -3.28 115.31 114.21 1sqb h LEU 64 Ca 0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1sqb h LEU 64 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sqb h LEU 64 CO 0.03 0.72 -0.52 0.00 0.09 0.00 0.00 178.44 178.76 1sqb h ALA 65 N 1.28 0.53 0.00 1.53 0.00 -1.05 -3.22 119.26 118.33 1sqb h ALA 65 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1sqb h ALA 65 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sqb h ALA 65 CO 0.09 0.68 0.00 0.93 0.00 0.00 0.00 179.25 180.96 1sqb h GLU 66 N 0.64 0.00 0.00 0.00 3.07 -1.40 -3.17 114.58 113.71 1sqb h GLU 66 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1sqb h GLU 66 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1sqb h GLU 66 CO 0.11 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.11 1sqb n GLU 67 N -2.82 0.43 -4.27 2.33 1.02 -1.22 -4.23 120.64 111.88 1sqb n GLU 67 Ca -0.01 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.97 1sqb n GLU 67 Cb 0.17 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 1sqb n GLU 67 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sqb s VAL 68 N -2.27 1.57 -0.63 2.62 0.11 -1.22 -5.07 120.40 115.50 1sqb s VAL 68 Ca 0.23 -1.60 -0.21 0.00 -2.93 0.00 0.00 61.98 57.47 1sqb s VAL 68 Cb 0.12 -1.52 0.09 0.00 -1.53 0.00 0.00 36.38 33.54 1sqb s VAL 68 CO 0.24 -0.19 0.84 -1.61 -3.33 0.00 0.00 175.10 171.05 1sqb s GLU 69 N -2.16 3.09 -0.21 1.54 0.41 -1.26 -3.20 118.70 116.91 1sqb s GLU 69 Ca 0.07 -1.11 -0.12 0.00 -0.41 0.00 0.00 54.97 53.40 1sqb s GLU 69 Cb -0.08 -4.27 -0.05 0.00 -1.78 0.00 0.00 34.13 27.95 1sqb s GLU 69 CO 0.04 -1.68 0.21 0.54 -0.49 0.00 0.00 175.26 173.88 1sqb s VAL 70 N 3.32 5.34 -0.43 2.63 0.11 -1.08 -4.94 120.40 125.34 1sqb s VAL 70 Ca 0.17 0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 59.27 1sqb s VAL 70 Cb -0.20 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.08 1sqb s VAL 70 CO 0.07 0.37 1.85 -1.58 -3.33 0.00 0.00 175.10 172.48 1sqb s GLN 71 N 0.78 3.03 0.53 1.54 0.74 -1.26 -2.79 119.66 122.24 1sqb s GLN 71 Ca 0.11 1.15 -0.07 0.00 0.05 0.00 0.00 55.36 56.60 1sqb s GLN 71 Cb -0.13 -4.28 -0.04 0.00 1.10 0.00 0.00 33.01 29.67 1sqb s GLN 71 CO 0.03 -2.22 0.88 0.34 -0.55 0.00 0.00 175.29 173.76 1sqb s ASP 72 N 7.07 6.23 0.01 6.67 2.15 -0.59 -5.02 116.67 133.20 1sqb s ASP 72 Ca 0.76 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.84 1sqb s ASP 72 Cb -0.19 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1sqb s ASP 72 CO 0.29 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 1sqb n GLY 73 N -2.44 -2.14 3.69 2.66 0.00 -1.26 -3.85 105.19 101.86 1sqb n GLY 73 Ca 0.03 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1sqb n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sqb n PRO 74 N -0.02 2.70 -0.78 1.61 -0.02 -1.26 -4.46 135.00 132.77 1sqb n PRO 74 Ca 0.00 0.98 -0.05 0.00 -2.02 0.00 0.00 63.50 62.41 1sqb n PRO 74 Cb 0.00 -2.85 0.03 0.00 -0.02 0.00 0.00 33.50 30.66 1sqb n PRO 74 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1sqb n ASN 75 N 5.02 0.18 0.21 2.55 6.94 -1.19 -5.01 115.26 123.96 1sqb n ASN 75 Ca 0.18 -1.18 0.06 0.00 -0.02 0.00 0.00 54.58 53.62 1sqb n ASN 75 Cb 0.35 -0.15 0.47 0.00 -2.36 0.00 0.00 39.78 38.09 1sqb n ASN 75 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1sqb h GLU 76 N 0.00 0.00 0.13 -3.83 4.39 -1.95 -3.32 114.58 109.99 1sqb h GLU 76 Ca -0.07 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.28 1sqb h GLU 76 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1sqb h GLU 76 CO 0.07 0.29 -1.89 -0.44 -1.16 0.00 0.00 179.01 175.87 1sqb h ASP 77 N 0.00 0.43 0.00 1.42 5.19 -2.02 -3.49 116.42 117.95 1sqb h ASP 77 Ca -0.00 -0.85 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 1sqb h ASP 77 Cb 0.59 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1sqb h ASP 77 CO 0.04 1.75 0.00 0.61 -3.12 0.00 0.00 179.24 178.52 1sqb n GLY 78 N 1.91 1.84 3.23 2.75 0.00 -1.25 -5.16 105.19 108.51 1sqb n GLY 78 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1sqb n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqb s GLU 79 N 0.00 1.02 -0.26 1.61 2.02 -1.26 -4.94 118.70 116.89 1sqb s GLU 79 Ca 0.00 -1.44 -0.13 0.00 0.02 0.00 0.00 54.97 53.42 1sqb s GLU 79 Cb 0.00 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 1sqb s GLU 79 CO 0.00 0.01 0.29 -1.64 0.02 0.00 0.00 175.26 173.94 1sqb s MET 80 N -3.80 4.03 0.42 1.61 -1.94 -1.26 -3.19 119.30 115.17 1sqb s MET 80 Ca 0.17 -0.09 0.08 0.00 -1.71 0.00 0.00 55.69 54.14 1sqb s MET 80 Cb 0.04 -3.62 -0.02 0.00 2.01 0.00 0.00 34.83 33.24 1sqb s MET 80 CO -0.00 -0.15 0.40 -0.59 -0.01 0.00 0.00 175.02 174.66 1sqb s PHE 81 N 1.69 2.71 -0.10 -0.03 -0.71 -1.25 -4.98 117.98 115.31 1sqb s PHE 81 Ca 0.12 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.54 1sqb s PHE 81 Cb -0.15 -2.19 -0.02 0.00 -1.21 0.00 0.00 43.02 39.45 1sqb s PHE 81 CO 0.09 -0.16 -0.13 -1.64 -1.34 0.00 0.00 175.22 172.04 1sqb s MET 82 N -4.15 3.02 0.13 1.99 -1.94 -1.26 -1.54 119.30 115.55 1sqb s MET 82 Ca 0.49 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 1sqb s MET 82 Cb -0.04 -2.54 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 1sqb s MET 82 CO 0.28 0.40 -0.11 -0.98 -0.01 0.00 0.00 175.02 174.60 1sqb s ARG 83 N -0.13 1.02 0.36 2.03 1.70 -1.12 -4.98 118.95 117.83 1sqb s ARG 83 Ca -0.01 -1.36 -0.28 0.00 -0.47 0.00 0.00 55.73 53.61 1sqb s ARG 83 Cb -0.14 -0.68 -0.11 0.00 -0.57 0.00 0.00 34.95 33.45 1sqb s ARG 83 CO 0.03 0.10 1.52 -2.14 -1.08 0.00 0.00 175.30 173.73 1sqb s PRO 84 N -3.34 4.10 0.30 3.89 0.02 -1.26 -2.65 135.00 136.06 1sqb s PRO 84 Ca 0.13 2.60 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 1sqb s PRO 84 Cb -0.00 -2.97 -0.10 0.00 0.02 0.00 0.00 34.50 31.45 1sqb s PRO 84 CO 0.01 -0.57 1.34 0.20 -0.33 0.00 0.00 177.00 177.65 1sqb s GLY 85 N -0.01 2.80 0.47 0.52 0.00 -1.20 -4.91 107.32 104.99 1sqb s GLY 85 Ca 0.55 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.58 1sqb s GLY 85 CO 0.61 2.02 0.66 0.54 0.00 0.00 0.00 173.10 176.93 1sqb s LYS 86 N -1.33 2.77 0.37 2.90 1.02 -1.26 -3.28 119.74 120.93 1sqb s LYS 86 Ca 0.52 -0.92 0.05 0.00 0.02 0.00 0.00 55.97 55.64 1sqb s LYS 86 Cb -0.40 -2.63 0.74 0.00 -0.52 0.00 0.00 37.83 35.03 1sqb s LYS 86 CO 0.50 -0.42 1.99 -0.07 -0.92 0.00 0.00 175.35 176.43 1sqb h LEU 87 N 0.40 0.64 -0.23 3.17 3.38 -1.91 -2.72 115.31 118.03 1sqb h LEU 87 Ca -0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1sqb h LEU 87 Cb 1.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1sqb h LEU 87 CO 0.51 0.44 0.00 -1.54 0.09 0.00 0.00 178.44 177.93 1sqb n SER 88 N -4.47 0.20 -4.77 -0.43 3.41 -1.26 -1.54 113.62 104.77 1sqb n SER 88 Ca 0.08 0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 58.86 1sqb n SER 88 Cb 0.15 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.47 1sqb n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1sqb s ASP 89 N -3.37 7.12 0.81 4.04 1.01 -1.03 -4.89 116.67 120.36 1sqb s ASP 89 Ca 0.06 2.17 -0.11 0.00 0.71 0.00 0.00 52.55 55.37 1sqb s ASP 89 Cb 0.09 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.48 1sqb s ASP 89 CO 0.28 -0.24 1.09 -0.31 0.21 0.00 0.00 175.17 176.20 1sqb s TYR 90 N -1.34 2.64 0.17 4.23 2.02 -1.26 -2.67 117.35 121.15 1sqb s TYR 90 Ca 0.49 1.32 -0.31 0.00 -0.37 0.00 0.00 57.07 58.20 1sqb s TYR 90 Cb -0.28 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 38.11 1sqb s TYR 90 CO 0.36 -1.90 1.48 -0.06 -1.57 0.00 0.00 175.55 173.85 1sqb s PHE 91 N -3.01 3.11 0.13 2.71 0.08 -0.62 -4.84 117.98 115.54 1sqb s PHE 91 Ca 0.61 0.84 -0.31 0.00 0.12 0.00 0.00 56.93 58.20 1sqb s PHE 91 Cb -0.16 -3.82 -0.08 0.00 -0.57 0.00 0.00 43.02 38.39 1sqb s PHE 91 CO 0.56 -2.88 1.35 -2.14 -0.10 0.00 0.00 175.22 172.00 1sqb s PRO 92 N 0.70 4.35 -0.19 0.24 0.02 -1.26 -4.54 135.00 134.32 1sqb s PRO 92 Ca 0.65 2.03 -0.22 0.00 0.02 0.00 0.00 61.00 63.48 1sqb s PRO 92 Cb -0.41 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 30.84 1sqb s PRO 92 CO 0.34 -0.37 0.69 -1.59 -0.33 0.00 0.00 177.00 175.74 1sqb s LYS 93 N 0.82 4.24 0.42 5.54 -2.85 -1.26 -4.76 119.74 121.89 1sqb s LYS 93 Ca 0.62 0.74 0.15 0.00 -1.00 0.00 0.00 55.97 56.48 1sqb s LYS 93 Cb -0.36 -3.57 0.90 0.00 -2.06 0.00 0.00 37.83 32.74 1sqb s LYS 93 CO 0.32 -0.25 1.92 -1.00 0.10 0.00 0.00 175.35 176.43 1sqb h PRO 94 N 7.41 0.00 -4.74 1.78 0.13 -1.88 -3.40 132.00 131.29 1sqb h PRO 94 Ca -0.31 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.18 1sqb h PRO 94 Cb 1.14 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.91 1sqb h PRO 94 CO 0.79 0.27 -0.82 0.71 -0.23 0.00 0.00 178.00 178.72 1sqb s TYR 95 N -4.38 2.63 0.15 1.56 2.02 -1.26 -5.01 117.35 113.07 1sqb s TYR 95 Ca -0.03 -1.70 0.23 0.00 -0.37 0.00 0.00 57.07 55.19 1sqb s TYR 95 Cb 0.15 -1.75 0.89 0.00 -0.40 0.00 0.00 41.96 40.85 1sqb s TYR 95 CO 0.70 -0.78 1.82 -1.35 -1.57 0.00 0.00 175.55 174.37 1sqb h PRO 96 N 7.94 0.00 -6.20 -1.71 0.11 -1.98 -3.44 132.00 126.72 1sqb h PRO 96 Ca -0.31 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.12 1sqb h PRO 96 Cb 1.10 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.03 1sqb h PRO 96 CO 0.51 0.25 -0.69 1.21 -0.21 0.00 0.00 178.00 179.08 1sqb s ASN 97 N -6.24 4.71 0.28 -2.05 2.47 -1.26 -5.05 114.94 107.80 1sqb s ASN 97 Ca 0.00 -0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.22 1sqb s ASN 97 Cb 0.10 -1.16 0.41 0.00 -1.45 0.00 0.00 41.25 39.15 1sqb s ASN 97 CO 0.65 0.32 1.82 -0.65 -3.72 0.00 0.00 177.10 175.51 1sqb h PRO 98 N 4.87 0.78 0.00 0.43 0.11 -2.04 -2.93 132.00 133.22 1sqb h PRO 98 Ca -0.49 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1sqb h PRO 98 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1sqb h PRO 98 CO 0.53 0.73 -0.05 0.39 -0.21 0.00 0.00 178.00 179.40 1sqb n GLU 99 N -4.26 0.25 0.24 1.05 4.71 -1.26 -3.31 120.64 118.06 1sqb n GLU 99 Ca 0.03 0.19 0.12 0.00 -0.01 0.00 0.00 57.16 57.50 1sqb n GLU 99 Cb 0.25 -1.78 0.52 0.00 -1.01 0.00 0.00 31.44 29.42 1sqb n GLU 99 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sqb h ALA 100 N 2.55 1.02 -0.08 0.62 0.00 -1.92 -2.74 119.26 118.71 1sqb h ALA 100 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1sqb h ALA 100 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1sqb h ALA 100 CO 0.00 0.20 -0.60 0.00 0.00 0.00 0.00 179.25 178.85 1sqb h ALA 101 N 1.84 0.84 0.41 0.00 0.00 -1.63 -3.10 119.26 117.62 1sqb h ALA 101 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1sqb h ALA 101 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sqb h ALA 101 CO 0.02 0.73 -0.20 0.00 0.00 0.00 0.00 179.25 179.80 1sqb h ARG 102 N 0.19 -0.53 0.00 0.00 3.08 -1.65 -2.79 114.38 112.69 1sqb h ARG 102 Ca -0.01 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1sqb h ARG 102 Cb 1.11 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1sqb h ARG 102 CO 0.09 -0.22 -0.33 0.00 -1.07 0.00 0.00 179.97 178.44 1sqb h ALA 103 N -0.54 1.28 -0.57 0.04 0.00 -1.68 0.31 119.26 118.10 1sqb h ALA 103 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sqb h ALA 103 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sqb h ALA 103 CO 0.09 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1sqb n ALA 104 N -2.40 2.41 -1.40 0.00 0.00 -1.17 -4.74 120.51 113.20 1sqb n ALA 104 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1sqb n ALA 104 Cb 0.40 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1sqb n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sqb n ASN 105 N 1.42 0.00 0.00 0.00 3.02 -1.05 -5.04 115.26 113.61 1sqb n ASN 105 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1sqb n ASN 105 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1sqb n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sqb n ASN 106 N -0.51 0.00 0.00 6.41 3.02 -1.03 -5.00 115.26 118.15 1sqb n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1sqb n ASN 106 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sqb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqb n GLY 107 N 0.00 1.67 3.81 7.41 0.00 0.11 -4.97 105.19 113.22 1sqb n GLY 107 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1sqb n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb s ALA 108 N -1.07 3.14 -0.27 4.61 0.00 -1.26 -4.70 121.76 122.22 1sqb s ALA 108 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1sqb s ALA 108 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1sqb s ALA 108 CO 0.00 0.18 0.43 -1.17 0.00 0.00 0.00 175.76 175.20 1sqb s LEU 109 N -2.81 4.06 -0.23 0.00 0.20 -1.26 -4.46 118.68 114.17 1sqb s LEU 109 Ca 0.57 0.35 -0.29 0.00 0.69 0.00 0.00 54.13 55.45 1sqb s LEU 109 Cb -0.12 -2.51 -0.01 0.00 -0.43 0.00 0.00 46.19 43.11 1sqb s LEU 109 CO 0.17 -0.23 1.43 -2.16 -0.29 0.00 0.00 176.35 175.27 1sqb s PRO 110 N 2.16 3.94 0.68 0.98 0.04 -1.26 -5.03 135.00 136.51 1sqb s PRO 110 Ca 0.17 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1sqb s PRO 110 Cb -0.16 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1sqb s PRO 110 CO 0.10 -1.10 1.07 -2.14 0.04 0.00 0.00 177.00 174.97 1sqb s PRO 111 N 4.24 2.91 0.30 0.56 0.02 -1.26 -4.80 135.00 136.97 1sqb s PRO 111 Ca 0.63 1.10 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 1sqb s PRO 111 Cb -0.22 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.21 1sqb s PRO 111 CO 0.24 -1.13 1.57 -3.47 -0.33 0.00 0.00 177.00 173.88 1sqb n ASP 112 N -2.83 3.78 0.16 2.53 -0.08 -1.26 -4.59 116.55 114.25 1sqb n ASP 112 Ca 0.08 1.16 0.12 0.00 -1.51 0.00 0.00 54.79 54.64 1sqb n ASP 112 Cb 0.53 -1.59 0.12 0.00 2.34 0.00 0.00 41.12 42.52 1sqb n ASP 112 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1sqb h LEU 113 N 4.55 0.00 -9.37 -2.67 3.38 -0.38 -3.43 115.31 107.39 1sqb h LEU 113 Ca -0.47 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 56.94 1sqb h LEU 113 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1sqb h LEU 113 CO 0.77 0.01 0.87 -0.94 0.09 0.00 0.00 178.44 179.24 1sqb s SER 114 N -5.66 6.81 -0.30 -0.43 1.04 -1.26 -3.83 113.70 110.08 1sqb s SER 114 Ca 0.04 2.15 -0.03 0.00 0.48 0.00 0.00 55.95 58.59 1sqb s SER 114 Cb 0.08 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1sqb s SER 114 CO 0.72 -0.75 0.11 -1.22 0.98 0.00 0.00 173.24 173.08 1sqb n TYR 115 N 5.55 -3.51 0.00 5.02 4.01 -0.89 -4.96 117.16 122.38 1sqb n TYR 115 Ca 0.14 1.53 0.00 0.00 -0.16 0.00 0.00 57.90 59.40 1sqb n TYR 115 Cb 0.43 -3.78 0.00 0.00 -0.31 0.00 0.00 39.34 35.68 1sqb n TYR 115 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1sqb n ILE 116 N 0.43 0.00 1.93 -0.72 0.13 -1.25 -4.58 119.36 115.30 1sqb n ILE 116 Ca 0.02 0.00 0.16 0.00 -1.10 0.00 0.00 62.75 61.83 1sqb n ILE 116 Cb 0.09 -0.09 0.91 0.00 -0.84 0.00 0.00 39.64 39.71 1sqb n ILE 116 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 1sqb n VAL 117 N -0.92 0.00 -0.00 9.51 0.24 -1.26 -2.41 118.33 123.49 1sqb n VAL 117 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1sqb n VAL 117 Cb 0.05 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1sqb n VAL 117 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sqb n ARG 118 N -0.97 6.01 -0.00 7.34 1.74 -1.26 -4.25 116.66 125.27 1sqb n ARG 118 Ca 0.23 -0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.37 1sqb n ARG 118 Cb 0.13 -0.51 -0.12 0.00 -1.02 0.00 0.00 32.46 30.93 1sqb n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqb n ALA 119 N -0.87 4.11 -2.99 7.54 0.00 -1.10 -4.91 120.51 122.30 1sqb n ALA 119 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1sqb n ALA 119 Cb 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 1sqb n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sqb s ARG 120 N -3.02 1.67 0.27 0.00 1.81 -1.01 -5.03 118.95 113.64 1sqb s ARG 120 Ca 0.04 -0.55 -0.30 0.00 -1.72 0.00 0.00 55.73 53.19 1sqb s ARG 120 Cb 0.15 -1.45 -0.13 0.00 -0.45 0.00 0.00 34.95 33.07 1sqb s ARG 120 CO 0.83 0.20 1.46 0.72 -0.68 0.00 0.00 175.30 177.83 1sqb n HIS 121 N 3.24 2.42 0.00 -0.53 8.25 -1.26 -1.94 115.22 125.40 1sqb n HIS 121 Ca -0.19 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1sqb n HIS 121 Cb 0.53 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 29.14 1sqb n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqb n GLY 122 N 1.99 3.23 7.00 -1.41 0.00 -1.26 -4.65 105.19 110.08 1sqb n GLY 122 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sqb n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqb n GLY 123 N -1.12 1.18 0.18 -0.02 0.00 -0.82 -3.00 105.19 101.59 1sqb n GLY 123 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.51 1sqb n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1sqb h GLU 124 N 0.00 0.00 -0.61 1.61 9.09 -1.89 -3.07 114.58 119.72 1sqb h GLU 124 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.45 1sqb h GLU 124 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 1sqb h GLU 124 CO 0.00 0.41 0.36 -0.44 0.05 0.00 0.00 179.01 179.38 1sqb h ASP 125 N 0.00 0.56 0.07 3.06 3.32 -1.87 -0.04 116.42 121.52 1sqb h ASP 125 Ca -0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sqb h ASP 125 Cb 0.81 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1sqb h ASP 125 CO 0.05 0.38 -0.03 0.22 -1.72 0.00 0.00 179.24 178.14 1sqb h TYR 126 N 0.69 -0.09 -0.65 4.55 3.20 -1.64 0.20 116.97 123.23 1sqb h TYR 126 Ca 0.25 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1sqb h TYR 126 Cb 0.08 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1sqb h TYR 126 CO -0.07 0.10 0.37 0.28 -1.64 0.00 0.00 178.16 177.20 1sqb h VAL 127 N -0.26 1.20 -0.48 1.81 2.07 -1.50 0.25 116.25 119.35 1sqb h VAL 127 Ca -0.01 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1sqb h VAL 127 Cb 0.23 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1sqb h VAL 127 CO 0.02 0.22 0.29 0.15 0.02 0.00 0.00 177.57 178.26 1sqb h PHE 128 N 0.88 0.54 -0.17 1.57 3.57 -0.91 -1.47 116.94 120.95 1sqb h PHE 128 Ca 0.23 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 1sqb h PHE 128 Cb 0.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1sqb h PHE 128 CO -0.01 0.32 -0.48 0.77 -2.23 0.00 0.00 178.31 176.67 1sqb h SER 129 N 0.58 0.48 -0.63 0.41 0.02 -0.65 0.18 113.55 113.95 1sqb h SER 129 Ca 0.19 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 1sqb h SER 129 Cb 0.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1sqb h SER 129 CO -0.08 0.89 0.04 0.25 -1.14 0.00 0.00 176.83 176.80 1sqb h LEU 130 N 0.36 1.05 0.41 5.07 5.85 -0.26 0.94 115.31 128.72 1sqb h LEU 130 Ca 0.02 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1sqb h LEU 130 Cb 0.98 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1sqb h LEU 130 CO 0.09 1.07 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.99 1sqb h LEU 131 N 0.98 -0.47 -0.82 2.25 3.38 -1.17 -3.37 115.31 116.10 1sqb h LEU 131 Ca 0.18 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1sqb h LEU 131 Cb 0.51 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1sqb h LEU 131 CO 0.02 -0.03 0.52 0.74 0.09 0.00 0.00 178.44 179.78 1sqb h THR 132 N -1.11 1.09 -0.59 0.22 2.02 -0.69 -3.13 112.91 110.72 1sqb h THR 132 Ca -0.06 -0.34 -0.32 0.00 0.77 0.00 0.00 66.41 66.46 1sqb h THR 132 Cb 0.47 0.02 -0.18 0.00 -1.74 0.00 0.00 68.15 66.72 1sqb h THR 132 CO 0.09 0.18 0.41 0.61 0.37 0.00 0.00 175.52 177.19 1sqb n GLY 133 N -1.32 3.66 3.63 2.16 0.00 0.32 -4.90 105.19 108.74 1sqb n GLY 133 Ca 0.11 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1sqb n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqb s TYR 134 N -2.00 2.24 0.22 1.61 2.02 -1.19 -4.48 117.35 115.77 1sqb s TYR 134 Ca 0.34 0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 57.65 1sqb s TYR 134 Cb 0.29 -3.93 -0.04 0.00 -0.40 0.00 0.00 41.96 37.87 1sqb s TYR 134 CO 0.05 -2.71 0.13 0.00 -1.57 0.00 0.00 175.55 171.44 1sqb s GLU 136 N -4.11 4.71 0.35 0.00 8.01 -1.26 -4.62 118.70 121.78 1sqb s GLU 136 Ca 0.39 1.67 -0.28 0.00 0.01 0.00 0.00 54.97 56.75 1sqb s GLU 136 Cb 0.07 -3.20 -0.11 0.00 -4.31 0.00 0.00 34.13 26.58 1sqb s GLU 136 CO 0.13 0.32 1.40 -1.25 0.01 0.00 0.00 175.26 175.87 1sqb s PRO 137 N -1.38 4.23 0.63 0.39 0.04 -1.26 -5.03 135.00 132.63 1sqb s PRO 137 Ca 0.44 2.39 -0.14 0.00 0.04 0.00 0.00 61.00 63.73 1sqb s PRO 137 Cb -0.29 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 1sqb s PRO 137 CO 0.37 -0.36 1.06 -1.25 0.04 0.00 0.00 177.00 176.86 1sqb s PRO 138 N -1.91 3.20 0.60 0.56 0.04 -1.26 -5.02 135.00 131.20 1sqb s PRO 138 Ca 0.51 1.11 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 1sqb s PRO 138 Cb -0.43 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1sqb s PRO 138 CO 0.58 -0.90 1.26 0.95 0.04 0.00 0.00 177.00 178.92 1sqb s THR 139 N -2.66 2.35 0.00 1.26 -4.23 -1.26 -3.19 115.64 107.91 1sqb s THR 139 Ca 0.61 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1sqb s THR 139 Cb -0.15 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1sqb s THR 139 CO 0.43 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1sqb n GLY 140 N 0.68 2.92 3.34 3.99 0.00 -1.26 -5.00 105.19 109.85 1sqb n GLY 140 Ca 0.14 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1sqb n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqb s VAL 141 N -2.45 4.13 -0.02 1.61 1.01 -1.19 -5.08 120.40 118.40 1sqb s VAL 141 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1sqb s VAL 141 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1sqb s VAL 141 CO 0.00 -0.10 0.96 -0.94 0.00 0.00 0.00 175.10 175.02 1sqb s SER 142 N 1.49 7.32 0.21 3.32 1.04 -1.26 -4.70 113.70 121.11 1sqb s SER 142 Ca 0.01 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 57.99 1sqb s SER 142 Cb -0.19 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.54 1sqb s SER 142 CO 0.04 -0.27 1.63 0.17 0.98 0.00 0.00 173.24 175.79 1sqb h LEU 143 N 6.95 0.86 -1.97 2.42 -0.00 -1.95 -3.50 115.31 118.11 1sqb h LEU 143 Ca -0.40 -0.29 0.01 0.00 -0.00 0.00 0.00 57.88 57.20 1sqb h LEU 143 Cb 1.21 -0.23 -0.09 0.00 -0.00 0.00 0.00 40.66 41.55 1sqb h LEU 143 CO 0.76 1.02 -1.32 -1.14 -0.00 0.00 0.00 178.44 177.76 1sqb n ARG 144 N -4.13 -4.62 0.00 0.17 0.63 -1.26 -4.49 116.66 102.95 1sqb n ARG 144 Ca 0.01 3.44 0.00 0.00 -0.92 0.00 0.00 57.85 60.37 1sqb n ARG 144 Cb 0.41 -4.72 0.00 0.00 0.45 0.00 0.00 32.46 28.60 1sqb n ARG 144 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sqb n GLU 145 N 1.81 0.37 -0.00 -0.14 -0.58 -1.26 0.20 120.64 121.04 1sqb n GLU 145 Ca -0.27 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.52 1sqb n GLU 145 Cb 0.41 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 29.93 1sqb n GLU 145 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sqb n GLY 146 N 0.72 -0.08 2.74 0.62 0.00 -1.26 -4.92 105.19 103.01 1sqb n GLY 146 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1sqb n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqb s LEU 147 N -2.64 1.65 0.79 0.99 1.43 0.13 -4.50 118.68 116.53 1sqb s LEU 147 Ca 0.03 -1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 1sqb s LEU 147 Cb 0.08 -0.73 0.07 0.00 0.03 0.00 0.00 46.19 45.64 1sqb s LEU 147 CO 0.45 -0.35 1.09 -0.31 0.23 0.00 0.00 176.35 177.46 1sqb s TYR 148 N 1.75 2.57 -0.15 0.29 1.51 0.14 -4.42 117.35 119.04 1sqb s TYR 148 Ca 0.03 1.49 -0.16 0.00 -1.01 0.00 0.00 57.07 57.43 1sqb s TYR 148 Cb -0.17 -3.06 -0.04 0.00 -0.11 0.00 0.00 41.96 38.58 1sqb s TYR 148 CO -0.16 -1.87 0.38 0.12 -1.11 0.00 0.00 175.55 172.91 1sqb s PHE 149 N -2.92 3.47 -0.09 2.71 5.36 -1.26 -1.08 117.98 124.16 1sqb s PHE 149 Ca 0.61 0.72 -0.04 0.00 -0.96 0.00 0.00 56.93 57.26 1sqb s PHE 149 Cb -0.17 -2.45 0.05 0.00 -0.34 0.00 0.00 43.02 40.10 1sqb s PHE 149 CO 0.56 0.17 0.21 1.21 -1.46 0.00 0.00 175.22 175.91 1sqb s ASN 150 N 0.61 -0.11 0.26 6.13 3.84 -1.19 -3.96 114.94 120.52 1sqb s ASN 150 Ca 0.21 0.44 0.02 0.00 0.21 0.00 0.00 52.86 53.73 1sqb s ASN 150 Cb -0.14 0.34 0.33 0.00 -0.55 0.00 0.00 41.25 41.24 1sqb s ASN 150 CO 0.07 -0.17 1.66 1.55 -2.79 0.00 0.00 177.10 177.42 1sqb h PRO 151 N 7.36 0.46 0.00 0.43 0.13 -1.86 -3.24 132.00 135.29 1sqb h PRO 151 Ca -0.38 -0.21 -0.05 0.00 -0.87 0.00 0.00 66.00 64.49 1sqb h PRO 151 Cb 1.14 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1sqb h PRO 151 CO 0.36 0.75 -0.22 1.88 -0.23 0.00 0.00 178.00 180.54 1sqb h TYR 152 N 0.39 0.00 -3.23 1.56 0.05 -1.88 -3.40 116.97 110.46 1sqb h TYR 152 Ca 0.04 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.30 1sqb h TYR 152 Cb 0.80 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.58 1sqb h TYR 152 CO 0.03 0.22 0.74 0.12 -1.05 0.00 0.00 178.16 178.21 1sqb s PHE 153 N -3.60 3.15 0.33 4.88 5.36 -1.22 -4.90 117.98 121.98 1sqb s PHE 153 Ca 0.01 1.02 0.07 0.00 -0.96 0.00 0.00 56.93 57.07 1sqb s PHE 153 Cb 0.10 -3.74 0.76 0.00 -0.34 0.00 0.00 43.02 39.80 1sqb s PHE 153 CO 0.64 -2.47 1.83 -1.00 -1.46 0.00 0.00 175.22 172.76 1sqb h PRO 154 N 5.75 0.73 -0.28 10.12 0.13 -1.89 -2.30 132.00 144.26 1sqb h PRO 154 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sqb h PRO 154 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1sqb h PRO 154 CO 0.81 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.48 1sqb n GLY 155 N -1.39 1.49 4.02 1.56 0.00 -1.26 -4.79 105.19 104.82 1sqb n GLY 155 Ca 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1sqb n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqb n GLN 156 N 1.40 0.00 -4.00 1.61 3.00 -0.87 -4.66 117.38 113.86 1sqb n GLN 156 Ca 0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.85 1sqb n GLN 156 Cb 0.59 -3.31 -0.15 0.00 0.00 0.00 0.00 30.24 27.36 1sqb n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sqb s ALA 157 N -1.89 2.49 -0.16 -1.58 0.00 -1.26 -3.18 121.76 116.18 1sqb s ALA 157 Ca 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 51.96 49.97 1sqb s ALA 157 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 1sqb s ALA 157 CO 0.00 -1.42 -0.07 -1.50 0.00 0.00 0.00 175.76 172.77 1sqb s ILE 158 N 1.13 3.56 -0.36 0.00 2.07 -0.24 -4.91 121.20 122.44 1sqb s ILE 158 Ca 0.01 -0.47 0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1sqb s ILE 158 Cb -0.19 -2.55 0.28 0.00 0.13 0.00 0.00 42.46 40.13 1sqb s ILE 158 CO -0.08 0.49 1.77 1.23 -1.91 0.00 0.00 174.94 176.44 1sqb h GLY 159 N 6.88 0.00 -4.63 1.50 0.00 -1.84 0.41 103.07 105.39 1sqb h GLY 159 Ca -0.30 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.48 1sqb h GLY 159 CO 0.60 0.00 0.63 -0.29 0.00 0.00 0.00 176.54 177.48 1sqb s MET 160 N -3.39 4.39 0.09 4.80 0.00 -1.26 -4.75 119.30 119.18 1sqb s MET 160 Ca 0.03 1.73 -0.29 0.00 0.00 0.00 0.00 55.69 57.16 1sqb s MET 160 Cb 0.09 -3.45 -0.05 0.00 0.00 0.00 0.00 34.83 31.42 1sqb s MET 160 CO 0.42 -0.35 0.94 0.00 0.00 0.00 0.00 175.02 176.03 1sqb s ALA 161 N 1.63 3.24 -0.26 4.11 0.00 -1.26 -4.63 121.76 124.59 1sqb s ALA 161 Ca 0.58 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 1sqb s ALA 161 Cb -0.27 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1sqb s ALA 161 CO 0.26 -0.05 2.21 -0.35 0.00 0.00 0.00 175.76 177.83 1sqb n PRO 162 N 2.97 1.64 -0.64 0.00 -0.04 -1.26 -4.85 135.00 132.82 1sqb n PRO 162 Ca 0.02 0.45 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 1sqb n PRO 162 Cb 0.50 -2.94 0.32 0.00 -0.04 0.00 0.00 33.50 31.33 1sqb n PRO 162 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1sqb n PRO 163 N 8.53 3.77 -3.89 0.54 -0.05 -1.26 -4.78 135.00 137.85 1sqb n PRO 163 Ca 0.34 -2.51 -0.33 0.00 -0.05 0.00 0.00 63.50 60.95 1sqb n PRO 163 Cb 0.36 -1.97 -0.13 0.00 -0.05 0.00 0.00 33.50 31.71 1sqb n PRO 163 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 1sqb s ILE 164 N -2.13 2.81 0.01 0.52 -5.25 -1.26 -5.02 121.20 110.89 1sqb s ILE 164 Ca 0.44 -2.37 -0.01 0.00 -0.99 0.00 0.00 60.65 57.72 1sqb s ILE 164 Cb 0.31 -2.98 -0.01 0.00 2.95 0.00 0.00 42.46 42.73 1sqb s ILE 164 CO 0.17 -0.68 -0.01 -0.72 -1.79 0.00 0.00 174.94 171.92 1sqb s TYR 165 N 0.81 0.20 -0.50 1.37 -0.85 -1.26 -4.98 117.35 112.14 1sqb s TYR 165 Ca 0.11 -0.41 -0.45 0.00 -0.52 0.00 0.00 57.07 55.80 1sqb s TYR 165 Cb -0.21 -0.15 -0.19 0.00 0.38 0.00 0.00 41.96 41.79 1sqb s TYR 165 CO -0.05 -0.17 1.90 0.09 -1.52 0.00 0.00 175.55 175.79 1sqb n ASN 166 N 1.80 0.95 -2.32 -0.18 4.13 -1.26 -3.80 115.26 114.58 1sqb n ASN 166 Ca -0.22 0.91 -0.01 0.00 1.68 0.00 0.00 54.58 56.93 1sqb n ASN 166 Cb 0.56 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1sqb n ASN 166 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1sqb n GLU 167 N 5.95 -2.21 -3.89 3.52 -0.58 0.14 -4.98 120.64 118.59 1sqb n GLU 167 Ca 0.44 1.96 -0.30 0.00 -0.42 0.00 0.00 57.16 58.84 1sqb n GLU 167 Cb -0.05 -3.99 -0.13 0.00 -0.57 0.00 0.00 31.44 26.70 1sqb n GLU 167 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sqb s VAL 168 N -1.26 2.90 0.32 2.62 1.01 -1.25 -5.05 120.40 119.69 1sqb s VAL 168 Ca 0.03 -3.64 0.00 0.00 0.00 0.00 0.00 61.98 58.37 1sqb s VAL 168 Cb -0.01 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1sqb s VAL 168 CO 0.52 -0.89 0.00 -0.11 0.00 0.00 0.00 175.10 174.62 1sqb n LEU 169 N 2.72 -0.58 -4.88 3.92 7.94 -1.26 -4.98 117.00 119.89 1sqb n LEU 169 Ca 0.11 1.27 -0.25 0.00 -1.11 0.00 0.00 56.01 56.04 1sqb n LEU 169 Cb 0.34 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.77 1sqb n LEU 169 CO 0.32 -1.00 0.02 -1.83 -1.11 0.00 0.00 177.39 173.79 1sqb s GLU 170 N -3.82 2.31 0.27 1.96 1.03 -1.26 -4.80 118.70 114.40 1sqb s GLU 170 Ca 0.00 -1.89 0.10 0.00 0.03 0.00 0.00 54.97 53.21 1sqb s GLU 170 Cb 0.00 -2.16 -0.04 0.00 -0.80 0.00 0.00 34.13 31.13 1sqb s GLU 170 CO 0.00 -0.48 -0.05 -0.06 -1.33 0.00 0.00 175.26 173.34 1sqb s PHE 171 N -2.69 2.59 0.25 4.83 0.08 -1.26 -5.04 117.98 116.75 1sqb s PHE 171 Ca 0.39 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1sqb s PHE 171 Cb -0.02 -1.15 0.30 0.00 -0.57 0.00 0.00 43.02 41.59 1sqb s PHE 171 CO 0.23 0.64 1.83 0.22 -0.10 0.00 0.00 175.22 178.05 1sqb h ASP 172 N 1.98 0.96 -3.91 1.36 3.58 -2.02 -3.41 116.42 114.95 1sqb h ASP 172 Ca -0.43 -0.13 -0.52 0.00 0.42 0.00 0.00 57.03 56.37 1sqb h ASP 172 Cb 1.25 -0.25 0.06 0.00 1.72 0.00 0.00 39.33 42.12 1sqb h ASP 172 CO 0.60 0.85 0.58 -1.81 -2.88 0.00 0.00 179.24 176.58 1sqb s ASP 173 N -6.43 6.58 -1.05 2.28 1.01 -1.26 -4.92 116.67 112.89 1sqb s ASP 173 Ca -0.11 2.54 -0.09 0.00 0.71 0.00 0.00 52.55 55.59 1sqb s ASP 173 Cb 0.16 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 1sqb s ASP 173 CO 0.82 -0.65 2.24 0.61 0.21 0.00 0.00 175.17 178.39 1sqb n GLY 174 N 0.74 3.31 3.47 0.21 0.00 -1.26 -4.89 105.19 106.78 1sqb n GLY 174 Ca 0.02 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1sqb n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqb s THR 175 N 3.42 4.00 0.02 2.61 2.01 -1.26 -5.08 115.64 121.36 1sqb s THR 175 Ca 0.48 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 1sqb s THR 175 Cb 0.12 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 1sqb s THR 175 CO -0.02 0.44 1.44 -2.84 -0.69 0.00 0.00 174.62 172.96 1sqb s PRO 176 N 0.82 4.27 -1.34 4.92 0.02 -1.26 -4.54 135.00 137.89 1sqb s PRO 176 Ca 0.00 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 62.98 1sqb s PRO 176 Cb -0.14 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.82 1sqb s PRO 176 CO 0.02 -0.60 2.73 0.00 -0.33 0.00 0.00 177.00 178.83 1sqb n ALA 177 N 5.33 7.12 -1.49 -1.55 0.00 -1.26 -4.83 120.51 123.83 1sqb n ALA 177 Ca 0.13 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.59 1sqb n ALA 177 Cb 0.43 -2.98 0.05 0.00 0.00 0.00 0.00 19.45 16.95 1sqb n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqb s THR 178 N 0.37 3.62 0.25 0.00 -4.23 -1.26 0.29 115.64 114.68 1sqb s THR 178 Ca 0.62 0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 61.71 1sqb s THR 178 Cb 0.20 -3.20 0.24 0.00 1.34 0.00 0.00 72.50 71.08 1sqb s THR 178 CO -0.08 -0.60 1.68 -0.03 -0.54 0.00 0.00 174.62 175.05 1sqb h MET 179 N -0.44 0.26 -0.36 3.99 4.05 -1.93 0.34 114.93 120.84 1sqb h MET 179 Ca -0.45 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 58.90 1sqb h MET 179 Cb 1.23 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1sqb h MET 179 CO 0.55 0.17 0.01 0.66 0.23 0.00 0.00 176.91 178.53 1sqb h SER 180 N 0.27 0.60 0.38 1.39 4.64 -1.98 -0.31 113.55 118.54 1sqb h SER 180 Ca 0.42 -0.30 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1sqb h SER 180 Cb 0.73 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1sqb h SER 180 CO -0.52 0.75 -0.49 1.56 -0.87 0.00 0.00 176.83 177.26 1sqb h GLN 181 N 0.44 0.13 -0.14 4.77 1.08 -1.64 0.30 115.11 120.04 1sqb h GLN 181 Ca 0.10 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1sqb h GLN 181 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1sqb h GLN 181 CO 0.02 0.59 -0.06 0.28 -0.95 0.00 0.00 178.83 178.71 1sqb h VAL 182 N 0.11 1.31 -0.17 -0.54 2.07 -0.28 -3.13 116.25 115.62 1sqb h VAL 182 Ca 0.00 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 1sqb h VAL 182 Cb 0.90 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1sqb h VAL 182 CO 0.07 0.32 -0.45 0.00 0.02 0.00 0.00 177.57 177.52 1sqb h ALA 183 N 0.68 0.91 -0.22 1.67 0.00 -0.86 -3.11 119.26 118.33 1sqb h ALA 183 Ca 0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1sqb h ALA 183 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sqb h ALA 183 CO 0.02 0.65 0.01 -0.22 0.00 0.00 0.00 179.25 179.70 1sqb h LYS 184 N 0.34 0.39 -0.69 0.00 3.11 -1.05 -2.99 116.57 115.68 1sqb h LYS 184 Ca 0.02 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.72 1sqb h LYS 184 Cb 0.93 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.09 1sqb h LYS 184 CO 0.08 0.57 0.33 -0.44 -2.81 0.00 0.00 179.45 177.17 1sqb h ASP 185 N 0.16 0.90 -0.49 4.20 3.32 -1.52 0.84 116.42 123.83 1sqb h ASP 185 Ca 0.06 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1sqb h ASP 185 Cb 0.39 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1sqb h ASP 185 CO 0.01 0.79 0.23 -0.37 -1.72 0.00 0.00 179.24 178.18 1sqb h VAL 186 N 0.96 1.19 -0.58 -1.35 -1.51 -1.63 -1.41 116.25 111.92 1sqb h VAL 186 Ca 0.24 -0.55 -0.07 0.00 -1.23 0.00 0.00 66.70 65.09 1sqb h VAL 186 Cb 0.13 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 29.91 1sqb h VAL 186 CO -0.03 0.21 0.09 0.00 -1.23 0.00 0.00 177.57 176.61 1sqb h THR 188 N 0.88 0.75 0.21 0.00 2.02 -0.76 -2.12 112.91 113.89 1sqb h THR 188 Ca 0.18 -1.36 -0.29 0.00 0.77 0.00 0.00 66.41 65.71 1sqb h THR 188 Cb 0.39 1.86 0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1sqb h THR 188 CO 0.01 0.31 -1.33 0.15 0.37 0.00 0.00 175.52 175.03 1sqb h PHE 189 N 0.00 0.80 0.00 3.16 3.57 -0.48 -3.32 116.94 120.67 1sqb h PHE 189 Ca -0.00 -0.58 -0.02 0.00 3.53 0.00 0.00 57.97 60.90 1sqb h PHE 189 Cb 0.84 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1sqb h PHE 189 CO 0.00 1.51 -0.08 -0.07 -2.23 0.00 0.00 178.31 177.44 1sqb h LEU 190 N -0.03 0.00 -0.39 0.59 3.38 0.52 0.49 115.31 119.86 1sqb h LEU 190 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1sqb h LEU 190 Cb 1.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1sqb h LEU 190 CO 0.22 0.08 0.14 -0.09 0.09 0.00 0.00 178.44 178.87 1sqb h ARG 191 N 0.00 0.60 -0.04 1.13 9.65 -1.50 -2.47 114.38 121.74 1sqb h ARG 191 Ca -0.00 -0.12 -0.13 0.00 -1.10 0.00 0.00 59.98 58.64 1sqb h ARG 191 Cb 0.38 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1sqb h ARG 191 CO 0.01 0.58 -0.55 2.35 2.80 0.00 0.00 179.97 185.16 1sqb h TRP 192 N 0.49 0.15 -0.04 2.20 7.01 -1.45 0.12 115.95 124.43 1sqb h TRP 192 Ca 0.13 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1sqb h TRP 192 Cb 0.22 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1sqb h TRP 192 CO 0.00 0.65 0.00 0.00 -2.79 0.00 0.00 178.44 176.30 1sqb n ALA 193 N -2.45 2.50 0.00 2.65 0.00 0.09 -2.73 120.51 120.56 1sqb n ALA 193 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1sqb n ALA 193 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1sqb n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqb n ALA 194 N -0.37 1.31 -3.39 0.00 0.00 -0.95 -2.10 120.51 115.02 1sqb n ALA 194 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 1sqb n ALA 194 Cb 0.04 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 1sqb n ALA 194 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sqb n GLU 195 N -0.97 0.43 0.05 0.00 2.13 0.42 -4.87 120.64 117.83 1sqb n GLU 195 Ca 0.00 -3.30 -0.00 0.00 0.66 0.00 0.00 57.16 54.52 1sqb n GLU 195 Cb 0.16 -1.64 0.30 0.00 0.27 0.00 0.00 31.44 30.53 1sqb n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1sqb h PRO 196 N 5.28 0.39 0.00 5.31 0.11 -1.73 -3.05 132.00 138.31 1sqb h PRO 196 Ca 0.22 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1sqb h PRO 196 Cb 0.89 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sqb h PRO 196 CO 0.42 0.53 0.00 1.05 -0.21 0.00 0.00 178.00 179.79 1sqb h GLU 197 N 0.36 0.00 -0.33 1.05 9.09 -1.93 -3.38 114.58 119.44 1sqb h GLU 197 Ca 0.07 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.51 1sqb h GLU 197 Cb 0.46 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.52 1sqb h GLU 197 CO 0.03 0.00 -0.20 1.58 0.05 0.00 0.00 179.01 180.47 1sqb n HIS 198 N -2.48 -0.15 -0.23 2.06 -0.00 -1.15 -0.83 115.22 112.45 1sqb n HIS 198 Ca 0.00 0.42 -0.04 0.00 0.46 0.00 0.00 57.72 58.56 1sqb n HIS 198 Cb 0.15 -0.45 0.07 0.00 -0.12 0.00 0.00 29.99 29.65 1sqb n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sqb h ASP 199 N 0.00 0.63 -0.38 0.26 5.19 -1.87 -2.20 116.42 118.05 1sqb h ASP 199 Ca 0.05 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.41 1sqb h ASP 199 Cb 0.14 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1sqb h ASP 199 CO -0.31 0.44 0.01 -0.74 -3.12 0.00 0.00 179.24 175.51 1sqb h HIS 200 N 0.76 0.73 -0.32 4.55 2.76 -1.28 -2.17 115.15 120.19 1sqb h HIS 200 Ca 0.26 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1sqb h HIS 200 Cb 0.05 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1sqb h HIS 200 CO -0.05 0.75 -0.12 0.07 -1.30 0.00 0.00 177.93 177.28 1sqb h ARG 201 N 0.50 0.54 -0.22 5.26 0.11 -0.92 -0.99 114.38 118.65 1sqb h ARG 201 Ca 0.11 -0.16 -0.09 0.00 0.10 0.00 0.00 59.98 59.94 1sqb h ARG 201 Cb 0.45 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 1sqb h ARG 201 CO 0.02 0.66 -0.27 0.87 0.10 0.00 0.00 179.97 181.35 1sqb h LYS 202 N 0.50 0.43 0.30 0.08 1.79 -1.30 -0.04 116.57 118.33 1sqb h LYS 202 Ca 0.09 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1sqb h LYS 202 Cb 0.51 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1sqb h LYS 202 CO 0.03 0.66 -0.14 -0.09 -1.08 0.00 0.00 179.45 178.83 1sqb h ARG 203 N 0.38 -0.39 0.00 3.15 2.43 -0.88 -2.43 114.38 116.64 1sqb h ARG 203 Ca 0.05 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1sqb h ARG 203 Cb 0.67 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1sqb h ARG 203 CO 0.05 -0.05 -0.32 0.52 -1.51 0.00 0.00 179.97 178.67 1sqb h MET 204 N -0.84 0.00 -0.84 0.20 2.86 -1.24 -2.36 114.93 112.72 1sqb h MET 204 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1sqb h MET 204 Cb 0.52 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1sqb h MET 204 CO 0.07 0.32 0.46 0.78 1.06 0.00 0.00 176.91 179.59 1sqb h GLY 205 N 1.30 1.25 0.99 8.32 0.00 -0.99 0.39 103.07 114.33 1sqb h GLY 205 Ca -0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1sqb h GLY 205 CO 0.04 0.54 0.03 -2.00 0.00 0.00 0.00 176.54 175.15 1sqb h LEU 206 N 1.17 0.82 -0.81 3.11 5.85 -0.92 -1.53 115.31 123.00 1sqb h LEU 206 Ca 0.30 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1sqb h LEU 206 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1sqb h LEU 206 CO -0.05 0.90 0.07 0.11 -0.34 0.00 0.00 178.44 179.13 1sqb h LYS 207 N 0.70 0.96 0.19 1.25 1.57 -1.12 0.36 116.57 120.48 1sqb h LYS 207 Ca 0.14 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1sqb h LYS 207 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1sqb h LYS 207 CO 0.02 0.90 -0.14 1.98 -0.57 0.00 0.00 179.45 181.64 1sqb h MET 208 N 0.90 -0.33 -0.45 3.15 4.05 -0.14 0.19 114.93 122.30 1sqb h MET 208 Ca 0.18 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1sqb h MET 208 Cb 0.43 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1sqb h MET 208 CO 0.01 -0.22 0.16 -0.07 0.23 0.00 0.00 176.91 177.03 1sqb h LEU 209 N -0.34 0.64 -1.19 3.39 3.38 -1.11 -1.05 115.31 119.03 1sqb h LEU 209 Ca -0.01 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1sqb h LEU 209 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1sqb h LEU 209 CO -0.00 0.66 -0.30 -0.07 0.09 0.00 0.00 178.44 178.82 1sqb h LEU 210 N 0.59 0.18 -0.02 1.67 3.38 -0.84 -0.70 115.31 119.56 1sqb h LEU 210 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1sqb h LEU 210 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1sqb h LEU 210 CO -0.01 0.47 -0.20 -0.03 0.09 0.00 0.00 178.44 178.77 1sqb h MET 211 N 0.16 0.17 -0.44 1.13 4.05 -0.83 -3.14 114.93 116.02 1sqb h MET 211 Ca 0.02 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 1sqb h MET 211 Cb 0.61 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 1sqb h MET 211 CO 0.04 0.85 0.16 0.52 0.23 0.00 0.00 176.91 178.72 1sqb h MET 212 N -0.45 0.63 0.00 0.39 2.86 -1.11 0.46 114.93 117.71 1sqb h MET 212 Ca -0.02 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1sqb h MET 212 Cb 0.90 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1sqb h MET 212 CO 0.04 0.53 -0.20 0.78 1.06 0.00 0.00 176.91 179.13 1sqb h GLY 213 N 0.79 0.00 0.67 8.32 0.00 -1.23 0.36 103.07 111.99 1sqb h GLY 213 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.14 1sqb h GLY 213 CO -0.01 0.00 -1.79 -2.00 0.00 0.00 0.00 176.54 172.73 1sqb h LEU 214 N 0.00 0.46 0.16 3.11 6.46 -1.24 -3.42 115.31 120.83 1sqb h LEU 214 Ca -0.00 -0.91 -0.28 0.00 -0.12 0.00 0.00 57.88 56.56 1sqb h LEU 214 Cb 0.46 -0.15 0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1sqb h LEU 214 CO 0.03 1.79 -1.19 -0.07 -0.62 0.00 0.00 178.44 178.37 1sqb h LEU 215 N -0.03 0.78 -0.20 2.25 3.38 0.11 -3.26 115.31 118.33 1sqb h LEU 215 Ca -0.38 -0.87 0.05 0.00 0.09 0.00 0.00 57.88 56.77 1sqb h LEU 215 Cb 1.98 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 1sqb h LEU 215 CO 0.10 1.58 -0.15 -0.07 0.09 0.00 0.00 178.44 179.99 1sqb h LEU 216 N 0.10 -0.47 -1.14 1.67 3.38 -0.51 -0.05 115.31 118.29 1sqb h LEU 216 Ca -0.19 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1sqb h LEU 216 Cb 1.90 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 1sqb h LEU 216 CO 0.23 -0.19 -0.36 -0.65 0.09 0.00 0.00 178.44 177.56 1sqb h PRO 217 N -0.14 0.13 -0.14 1.13 0.11 -1.78 -1.97 132.00 129.32 1sqb h PRO 217 Ca 0.12 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1sqb h PRO 217 Cb 0.32 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1sqb h PRO 217 CO -0.29 0.48 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.75 1sqb h LEU 218 N 0.11 0.38 -0.81 2.35 3.38 -1.51 0.81 115.31 120.02 1sqb h LEU 218 Ca 0.01 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1sqb h LEU 218 Cb 0.69 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1sqb h LEU 218 CO 0.05 0.79 -0.14 0.58 0.09 0.00 0.00 178.44 179.81 1sqb h VAL 219 N -0.02 1.26 -0.20 1.22 2.07 -1.02 -1.72 116.25 117.84 1sqb h VAL 219 Ca 0.02 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.38 1sqb h VAL 219 Cb 0.68 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1sqb h VAL 219 CO 0.04 0.41 -0.06 0.22 0.02 0.00 0.00 177.57 178.19 1sqb h TYR 220 N 0.67 -0.13 -0.27 1.57 3.20 -1.20 -0.62 116.97 120.18 1sqb h TYR 220 Ca 0.11 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1sqb h TYR 220 Cb 0.62 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1sqb h TYR 220 CO 0.03 -0.10 0.02 0.00 -1.64 0.00 0.00 178.16 176.47 1sqb h ALA 221 N 1.18 1.53 -0.09 1.82 0.00 -0.61 0.26 119.26 123.35 1sqb h ALA 221 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sqb h ALA 221 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sqb h ALA 221 CO -0.21 0.35 0.02 0.52 0.00 0.00 0.00 179.25 179.92 1sqb h MET 222 N 0.40 0.15 -0.42 0.00 2.86 -0.88 -1.32 114.93 115.70 1sqb h MET 222 Ca 0.09 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1sqb h MET 222 Cb 0.24 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1sqb h MET 222 CO 0.00 0.33 0.07 -0.22 1.06 0.00 0.00 176.91 178.16 1sqb h LYS 223 N -0.06 0.70 -0.26 1.72 3.11 -0.42 -2.48 116.57 118.87 1sqb h LYS 223 Ca 0.03 -0.19 -0.03 0.00 -2.81 0.00 0.00 60.65 57.65 1sqb h LYS 223 Cb 0.25 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1sqb h LYS 223 CO 0.00 0.74 0.03 -0.09 -2.81 0.00 0.00 179.45 177.32 1sqb h ARG 224 N 0.56 0.38 0.36 1.90 9.65 -0.53 -0.81 114.38 125.90 1sqb h ARG 224 Ca 0.13 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1sqb h ARG 224 Cb 0.38 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1sqb h ARG 224 CO 0.01 0.39 -0.17 1.25 2.80 0.00 0.00 179.97 184.24 1sqb h HIS 225 N 0.38 -0.45 -0.70 2.20 2.76 -0.96 -2.02 115.15 116.36 1sqb h HIS 225 Ca 0.09 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1sqb h HIS 225 Cb 0.21 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1sqb h HIS 225 CO 0.01 -0.13 0.32 0.87 -1.30 0.00 0.00 177.93 177.70 1sqb h LYS 226 N -0.80 1.00 0.00 5.26 1.79 -1.38 -2.82 116.57 119.62 1sqb h LYS 226 Ca -0.05 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1sqb h LYS 226 Cb 0.52 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1sqb h LYS 226 CO 0.08 0.78 0.00 0.91 -1.08 0.00 0.00 179.45 180.14 1sqb n TRP 227 N -4.33 0.87 0.28 -1.35 7.02 -0.32 -3.40 117.44 116.22 1sqb n TRP 227 Ca 0.07 0.27 0.14 0.00 -1.02 0.00 0.00 57.50 56.95 1sqb n TRP 227 Cb 0.14 -0.93 0.83 0.00 -2.42 0.00 0.00 31.31 28.93 1sqb n TRP 227 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sqb h SER 228 N 0.00 0.00 -0.71 -0.99 4.64 -1.09 0.27 113.55 115.67 1sqb h SER 228 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1sqb h SER 228 Cb 0.67 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1sqb h SER 228 CO 0.00 0.06 0.44 0.58 -0.87 0.00 0.00 176.83 177.04 1sqb h VAL 229 N 0.00 1.09 0.21 0.95 2.07 -1.74 -2.20 116.25 116.64 1sqb h VAL 229 Ca -0.00 -0.30 -0.34 0.00 0.82 0.00 0.00 66.70 66.88 1sqb h VAL 229 Cb 0.16 0.16 0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1sqb h VAL 229 CO 0.01 0.16 -1.62 -0.07 0.02 0.00 0.00 177.57 176.07 1sqb h LEU 230 N 0.86 0.70 -1.46 2.57 3.38 -1.45 -3.24 115.31 116.67 1sqb h LEU 230 Ca 0.28 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1sqb h LEU 230 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1sqb h LEU 230 CO -0.11 1.73 -0.09 0.11 0.09 0.00 0.00 178.44 180.17 1sqb h LYS 231 N 0.12 0.25 -0.02 1.13 1.79 -0.92 -2.55 116.57 116.37 1sqb h LYS 231 Ca -0.30 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1sqb h LYS 231 Cb 2.12 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1sqb h LYS 231 CO 0.22 0.35 -0.35 -1.13 -1.08 0.00 0.00 179.45 177.46 1sqb n SER 232 N -4.31 2.08 -4.70 0.86 3.41 -0.84 -4.99 113.62 105.14 1sqb n SER 232 Ca -0.01 -1.54 -0.43 0.00 -0.26 0.00 0.00 58.87 56.63 1sqb n SER 232 Cb 0.24 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1sqb n SER 232 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1sqb n ARG 233 N 0.19 2.18 -5.07 4.33 1.85 -0.96 -5.00 116.66 114.17 1sqb n ARG 233 Ca 0.09 0.77 -0.32 0.00 -1.00 0.00 0.00 57.85 57.39 1sqb n ARG 233 Cb 0.45 -2.39 -0.15 0.00 -1.05 0.00 0.00 32.46 29.33 1sqb n ARG 233 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1sqb s LYS 234 N -1.46 2.66 -0.05 2.89 -0.14 -1.26 -5.06 119.74 117.31 1sqb s LYS 234 Ca 0.59 -0.81 -0.02 0.00 -1.36 0.00 0.00 55.97 54.37 1sqb s LYS 234 Cb -0.58 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 1sqb s LYS 234 CO 0.58 0.43 0.08 -0.51 -0.76 0.00 0.00 175.35 175.18 1sqb s LEU 235 N -0.27 3.95 -0.02 3.17 1.43 -1.26 -5.11 118.68 120.57 1sqb s LEU 235 Ca 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1sqb s LEU 235 Cb -0.13 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1sqb s LEU 235 CO 0.03 0.33 0.01 0.00 0.23 0.00 0.00 176.35 176.95 1sqb s ALA 236 N -1.08 0.14 -0.25 4.21 0.00 -1.26 -5.14 121.76 118.38 1sqb s ALA 236 Ca 0.19 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 1sqb s ALA 236 Cb -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1sqb s ALA 236 CO 0.09 -0.06 0.06 -0.47 0.00 0.00 0.00 175.76 175.37 1sqb s TYR 237 N 0.76 3.08 -0.62 0.00 5.04 -1.26 -5.06 117.35 119.29 1sqb s TYR 237 Ca -0.07 -0.59 0.06 0.00 -2.44 0.00 0.00 57.07 54.03 1sqb s TYR 237 Cb -0.10 -2.23 0.22 0.00 0.35 0.00 0.00 41.96 40.21 1sqb s TYR 237 CO -0.02 -0.42 0.63 0.54 -1.34 0.00 0.00 175.55 174.94 1sqb n ARG 238 N 4.90 2.00 -2.11 4.97 1.74 -1.26 -5.11 116.66 121.79 1sqb n ARG 238 Ca -0.16 -4.37 -0.34 0.00 -0.77 0.00 0.00 57.85 52.21 1sqb n ARG 238 Cb 0.51 -2.11 0.01 0.00 -1.02 0.00 0.00 32.46 29.85 1sqb n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sqb s PRO 239 N -1.91 3.22 0.63 5.56 0.04 -1.26 -4.99 135.00 136.30 1sqb s PRO 239 Ca 0.35 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1sqb s PRO 239 Cb 0.09 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1sqb s PRO 239 CO -0.08 -0.93 1.21 -2.14 0.04 0.00 0.00 177.00 175.10 1sqb s PRO 240 N -3.60 2.73 0.00 0.56 0.02 -1.26 -5.35 135.00 128.10 1sqb s PRO 240 Ca 0.70 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1sqb s PRO 240 Cb -0.21 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1sqb s PRO 240 CO 0.32 -1.39 0.00 1.63 -0.33 0.00 0.00 177.00 177.23