#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9m s VAL 4 N 0.00 0.01 -0.22 0.00 0.11 -1.26 -5.15 120.40 113.90 1u9m s VAL 4 Ca 0.00 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1u9m s VAL 4 Cb 0.00 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1u9m s VAL 4 CO 0.00 -0.06 0.05 -0.75 -3.33 0.00 0.00 175.10 171.01 1u9m s LYS 5 N -1.05 3.73 -0.08 1.54 2.20 -1.26 -5.06 119.74 119.76 1u9m s LYS 5 Ca -0.10 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1u9m s LYS 5 Cb -0.02 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1u9m s LYS 5 CO 0.08 -0.02 -0.03 0.71 -0.36 0.00 0.00 175.35 175.73 1u9m s TYR 6 N 1.14 3.07 0.04 4.03 2.02 -1.26 -1.20 117.35 125.19 1u9m s TYR 6 Ca 0.04 0.12 0.09 0.00 -0.37 0.00 0.00 57.07 56.95 1u9m s TYR 6 Cb -0.14 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1u9m s TYR 6 CO 0.03 0.41 -0.24 0.71 -1.57 0.00 0.00 175.55 174.89 1u9m s TYR 7 N -0.84 2.38 0.39 2.71 1.51 -0.56 -4.84 117.35 118.10 1u9m s TYR 7 Ca 0.13 -0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1u9m s TYR 7 Cb -0.11 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1u9m s TYR 7 CO 0.02 0.15 0.69 0.95 -1.11 0.00 0.00 175.55 176.25 1u9m s THR 8 N -0.82 4.91 0.33 -0.71 -4.23 -1.26 -0.02 115.64 113.84 1u9m s THR 8 Ca 0.12 0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1u9m s THR 8 Cb -0.10 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.24 1u9m s THR 8 CO 0.03 -0.55 1.95 0.25 -0.54 0.00 0.00 174.62 175.76 1u9m h LEU 9 N 1.09 0.80 -0.72 4.79 6.46 -1.93 -1.98 115.31 123.81 1u9m h LEU 9 Ca -0.47 -0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.39 1u9m h LEU 9 Cb 1.19 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.87 1u9m h LEU 9 CO 0.64 0.53 0.34 -0.08 -0.62 0.00 0.00 178.44 179.25 1u9m h GLU 10 N 0.92 0.54 0.02 1.25 4.81 -1.97 -0.21 114.58 119.93 1u9m h GLU 10 Ca 0.32 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1u9m h GLU 10 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1u9m h GLU 10 CO -0.10 0.35 -0.01 0.93 -0.73 0.00 0.00 179.01 179.45 1u9m h GLU 11 N 0.55 -0.02 -0.95 1.92 5.08 -1.76 -3.21 114.58 116.19 1u9m h GLU 11 Ca 0.37 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.81 1u9m h GLU 11 Cb 0.45 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1u9m h GLU 11 CO -0.31 0.35 0.60 0.82 -1.00 0.00 0.00 179.01 179.46 1u9m h ILE 12 N -0.39 1.02 0.00 3.13 2.04 -1.14 -1.56 117.51 120.61 1u9m h ILE 12 Ca -0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1u9m h ILE 12 Cb 0.38 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1u9m h ILE 12 CO 0.00 0.19 0.00 1.56 0.00 0.00 0.00 178.15 179.90 1u9m h GLN 13 N 1.05 0.00 0.00 2.37 4.20 -1.04 -0.30 115.11 121.38 1u9m h GLN 13 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1u9m h GLN 13 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1u9m h GLN 13 CO -0.20 0.00 0.00 0.87 -0.67 0.00 0.00 178.83 178.83 1u9m h LYS 14 N 0.00 0.00 -3.26 1.46 1.57 -1.35 -3.37 116.57 111.61 1u9m h LYS 14 Ca 0.00 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.99 1u9m h LYS 14 Cb 0.03 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.05 1u9m h LYS 14 CO 0.00 0.00 0.50 0.72 -0.57 0.00 0.00 179.45 180.10 1u9m n HIS 15 N -2.86 4.04 -0.02 -1.35 8.25 -0.12 -4.65 115.22 118.50 1u9m n HIS 15 Ca 0.04 -3.46 -0.03 0.00 -0.26 0.00 0.00 57.72 54.01 1u9m n HIS 15 Cb 0.45 -1.46 -0.02 0.00 1.12 0.00 0.00 29.99 30.08 1u9m n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1u9m n ASN 16 N 2.09 3.82 -4.67 0.41 0.23 -1.08 -1.72 115.26 114.34 1u9m n ASN 16 Ca 0.25 -0.02 -0.31 0.00 -0.53 0.00 0.00 54.58 53.97 1u9m n ASN 16 Cb 0.37 0.13 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 1u9m n ASN 16 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1u9m s ASN 17 N -4.11 2.91 0.00 0.53 2.20 -1.22 -4.71 114.94 110.55 1u9m s ASN 17 Ca -0.05 2.04 0.07 0.00 -0.94 0.00 0.00 52.86 53.99 1u9m s ASN 17 Cb 0.01 -2.52 0.30 0.00 -2.00 0.00 0.00 41.25 37.04 1u9m s ASN 17 CO 0.11 -3.08 1.21 -1.54 -2.94 0.00 0.00 177.10 170.86 1u9m n SER 18 N -4.21 0.00 0.09 3.54 3.41 -1.26 -1.36 113.62 113.82 1u9m n SER 18 Ca 0.10 0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 59.16 1u9m n SER 18 Cb 0.53 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1u9m n SER 18 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1u9m h LYS 19 N 0.00 0.00 -1.25 4.33 1.63 -1.96 -3.43 116.57 115.89 1u9m h LYS 19 Ca 0.00 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1u9m h LYS 19 Cb 0.11 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 31.51 1u9m h LYS 19 CO 0.00 0.73 -0.34 0.45 -3.45 0.00 0.00 179.45 176.84 1u9m s SER 20 N -6.53 -0.94 -0.23 4.20 0.15 -0.47 -4.99 113.70 104.89 1u9m s SER 20 Ca 0.02 0.61 0.02 0.00 0.70 0.00 0.00 55.95 57.30 1u9m s SER 20 Cb 0.09 1.86 0.04 0.00 -1.71 0.00 0.00 66.02 66.30 1u9m s SER 20 CO 0.79 -0.28 -0.14 -0.89 1.20 0.00 0.00 173.24 173.92 1u9m s THR 21 N 2.77 2.17 0.24 6.45 2.01 -1.19 -2.64 115.64 125.45 1u9m s THR 21 Ca 0.18 -1.32 0.11 0.00 0.31 0.00 0.00 61.69 60.96 1u9m s THR 21 Cb -0.15 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1u9m s THR 21 CO -0.21 0.22 -0.13 0.26 -0.69 0.00 0.00 174.62 174.08 1u9m s TRP 22 N 1.19 2.49 0.17 4.92 0.52 -0.70 -0.57 118.94 126.96 1u9m s TRP 22 Ca -0.03 -0.28 -0.22 0.00 0.02 0.00 0.00 56.10 55.60 1u9m s TRP 22 Cb -0.17 -1.14 0.06 0.00 -1.15 0.00 0.00 33.47 31.07 1u9m s TRP 22 CO -0.08 0.61 0.58 -0.48 0.02 0.00 0.00 176.95 177.60 1u9m s LEU 23 N -3.29 -0.37 -0.14 2.99 0.05 -0.10 0.13 118.68 117.95 1u9m s LEU 23 Ca 0.28 -0.14 -0.03 0.00 0.05 0.00 0.00 54.13 54.29 1u9m s LEU 23 Cb -0.07 2.48 -0.03 0.00 -2.05 0.00 0.00 46.19 46.53 1u9m s LEU 23 CO 0.16 -1.00 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.30 1u9m s ILE 24 N -3.78 4.00 -0.14 1.48 1.01 -0.29 -0.33 121.20 123.15 1u9m s ILE 24 Ca 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1u9m s ILE 24 Cb -0.01 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.75 1u9m s ILE 24 CO -0.10 0.51 -0.03 -0.76 0.00 0.00 0.00 174.94 174.57 1u9m s LEU 25 N 0.12 1.17 -1.39 2.97 1.43 -0.52 -0.81 118.68 121.66 1u9m s LEU 25 Ca -0.00 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1u9m s LEU 25 Cb -0.13 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1u9m s LEU 25 CO 0.03 -0.20 0.49 1.41 0.23 0.00 0.00 176.35 178.30 1u9m n HIS 26 N 4.99 -1.71 -0.80 0.29 8.25 -1.26 -1.24 115.22 123.74 1u9m n HIS 26 Ca -0.10 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1u9m n HIS 26 Cb 0.49 -3.89 0.00 0.00 1.12 0.00 0.00 29.99 27.71 1u9m n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1u9m n TYR 27 N -4.37 0.00 -4.00 4.41 4.01 -1.26 -4.98 117.16 110.97 1u9m n TYR 27 Ca -0.31 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.09 1u9m n TYR 27 Cb 0.68 -0.92 -0.06 0.00 -0.31 0.00 0.00 39.34 38.73 1u9m n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1u9m s LYS 28 N -0.72 3.29 -0.20 -0.72 -0.14 -0.38 -0.24 119.74 120.64 1u9m s LYS 28 Ca 0.00 -0.31 -0.09 0.00 -1.36 0.00 0.00 55.97 54.21 1u9m s LYS 28 Cb 0.00 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 33.07 1u9m s LYS 28 CO 0.00 0.70 0.11 0.08 -0.76 0.00 0.00 175.35 175.48 1u9m s VAL 29 N -1.15 5.15 -0.09 3.17 1.01 0.57 -1.44 120.40 127.62 1u9m s VAL 29 Ca 0.21 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1u9m s VAL 29 Cb -0.12 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1u9m s VAL 29 CO 0.11 0.44 -0.21 -0.31 0.00 0.00 0.00 175.10 175.12 1u9m s TYR 30 N 0.44 2.58 -0.42 5.22 1.51 0.55 -1.06 117.35 126.17 1u9m s TYR 30 Ca 0.06 -0.80 -0.13 0.00 -1.01 0.00 0.00 57.07 55.19 1u9m s TYR 30 Cb -0.12 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1u9m s TYR 30 CO -0.01 -0.27 0.29 0.34 -1.11 0.00 0.00 175.55 174.80 1u9m s ASP 31 N 0.10 5.92 -0.03 2.29 2.15 -0.43 -0.93 116.67 125.75 1u9m s ASP 31 Ca -0.10 -1.16 0.18 0.00 0.43 0.00 0.00 52.55 51.89 1u9m s ASP 31 Cb -0.16 -2.09 0.56 0.00 -0.30 0.00 0.00 42.92 40.93 1u9m s ASP 31 CO 0.06 -0.50 1.47 0.18 -0.17 0.00 0.00 175.17 176.21 1u9m n LEU 32 N 5.08 3.83 -0.31 -1.34 4.77 0.27 -4.70 117.00 124.59 1u9m n LEU 32 Ca -0.11 -2.14 -0.06 0.00 -0.03 0.00 0.00 56.01 53.66 1u9m n LEU 32 Cb 0.45 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1u9m n LEU 32 CO 0.41 0.86 0.56 0.74 -1.33 0.00 0.00 177.39 178.64 1u9m h THR 33 N 3.46 0.05 0.00 -5.08 2.02 -1.89 0.29 112.91 111.76 1u9m h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1u9m h THR 33 Cb 1.03 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1u9m h THR 33 CO 0.06 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.12 1u9m n LYS 34 N -5.40 0.19 0.00 6.66 4.81 -1.26 -3.37 118.16 119.79 1u9m n LYS 34 Ca 0.05 0.35 0.11 0.00 -0.87 0.00 0.00 58.31 57.94 1u9m n LYS 34 Cb 0.35 -1.82 -0.09 0.00 0.02 0.00 0.00 35.03 33.50 1u9m n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1u9m n PHE 35 N -2.18 0.08 -0.33 5.64 -0.00 0.88 -4.56 117.46 116.99 1u9m n PHE 35 Ca 0.03 0.02 0.20 0.00 -0.00 0.00 0.00 57.45 57.71 1u9m n PHE 35 Cb 0.28 -0.27 0.41 0.00 -0.00 0.00 0.00 39.48 39.91 1u9m n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1u9m h LEU 36 N 0.00 0.43 0.00 -2.13 3.38 -1.16 -1.16 115.31 114.66 1u9m h LEU 36 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1u9m h LEU 36 Cb 0.70 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1u9m h LEU 36 CO 0.00 -0.09 -0.60 -0.33 0.09 0.00 0.00 178.44 177.51 1u9m h GLU 37 N 0.35 0.00 -0.01 1.13 5.08 -1.84 -3.34 114.58 115.94 1u9m h GLU 37 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 1u9m h GLU 37 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1u9m h GLU 37 CO -0.59 0.00 -0.32 0.39 -1.00 0.00 0.00 179.01 177.49 1u9m n GLU 38 N -2.44 1.26 -1.93 2.33 1.02 -0.48 -4.92 120.64 115.47 1u9m n GLU 38 Ca 0.03 -0.94 -0.43 0.00 -0.02 0.00 0.00 57.16 55.80 1u9m n GLU 38 Cb 0.49 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 1u9m n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1u9m s HIS 39 N -2.39 1.77 0.62 -0.32 2.46 -0.95 -4.87 115.29 111.61 1u9m s HIS 39 Ca 0.23 0.33 0.30 0.00 0.47 0.00 0.00 55.06 56.39 1u9m s HIS 39 Cb 0.19 -4.02 1.66 0.00 -0.13 0.00 0.00 32.58 30.28 1u9m s HIS 39 CO 0.51 -3.70 2.01 -1.35 -2.47 0.00 0.00 174.74 169.74 1u9m h PRO 40 N 11.39 0.00 -0.56 2.88 0.11 -1.93 -0.16 132.00 143.74 1u9m h PRO 40 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1u9m h PRO 40 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u9m h PRO 40 CO 0.98 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 1u9m n GLY 41 N -1.36 1.66 0.00 -0.55 0.00 -1.26 -5.05 105.19 98.63 1u9m n GLY 41 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1u9m n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9m n GLY 42 N 1.08 -0.95 0.08 -0.02 0.00 -0.07 -4.60 105.19 100.71 1u9m n GLY 42 Ca 0.17 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1u9m n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u9m n GLU 43 N -0.83 0.63 -0.33 1.61 0.28 -1.26 -4.24 120.64 116.50 1u9m n GLU 43 Ca 0.00 0.30 0.09 0.00 -0.16 0.00 0.00 57.16 57.39 1u9m n GLU 43 Cb 0.00 -1.79 0.26 0.00 1.43 0.00 0.00 31.44 31.34 1u9m n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1u9m h GLU 44 N 0.00 0.74 -0.12 3.44 4.81 -1.91 0.16 114.58 121.70 1u9m h GLU 44 Ca -0.29 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.79 1u9m h GLU 44 Cb 2.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 1u9m h GLU 44 CO 0.08 0.49 -0.39 -0.24 -0.73 0.00 0.00 179.01 178.22 1u9m h VAL 45 N 0.76 1.30 -0.01 0.32 3.04 -1.81 -1.99 116.25 117.87 1u9m h VAL 45 Ca 0.51 -1.48 -0.11 0.00 -1.01 0.00 0.00 66.70 64.61 1u9m h VAL 45 Cb 0.69 1.65 0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1u9m h VAL 45 CO -0.34 0.44 -0.41 -0.07 -1.01 0.00 0.00 177.57 176.18 1u9m h LEU 46 N 0.22 0.37 -1.03 3.16 3.38 -1.16 -3.27 115.31 116.98 1u9m h LEU 46 Ca 0.02 -0.76 -0.08 0.00 0.09 0.00 0.00 57.88 57.15 1u9m h LEU 46 Cb 0.80 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1u9m h LEU 46 CO 0.06 1.08 -0.19 0.03 0.09 0.00 0.00 178.44 179.51 1u9m h ARG 47 N -0.30 0.47 0.00 1.13 3.08 -0.78 -0.67 114.38 117.31 1u9m h ARG 47 Ca -0.05 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1u9m h ARG 47 Cb 1.14 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1u9m h ARG 47 CO 0.08 0.64 -0.01 1.49 -1.07 0.00 0.00 179.97 181.11 1u9m h GLU 48 N 0.43 0.00 0.00 0.04 4.81 -1.45 -2.09 114.58 116.32 1u9m h GLU 48 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u9m h GLU 48 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1u9m h GLU 48 CO 0.04 0.01 -1.22 1.04 -0.73 0.00 0.00 179.01 178.15 1u9m n GLN 49 N -4.30 0.37 -1.57 1.92 1.13 -0.87 -5.01 117.38 109.04 1u9m n GLN 49 Ca -0.03 -0.05 -0.49 0.00 -1.94 0.00 0.00 57.00 54.49 1u9m n GLN 49 Cb 0.09 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 1u9m n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u9m n ALA 50 N -1.67 -0.85 -0.60 -1.58 0.00 -0.31 -2.05 120.51 113.45 1u9m n ALA 50 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1u9m n ALA 50 Cb 0.38 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1u9m n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u9m n GLY 51 N 1.98 0.79 0.00 0.00 0.00 0.12 -4.68 105.19 103.40 1u9m n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1u9m n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9m n GLY 52 N -2.07 4.14 3.64 -0.02 0.00 -0.87 -3.83 105.19 106.18 1u9m n GLY 52 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1u9m n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u9m s ASP 53 N -0.17 6.70 -0.12 1.61 -1.08 -1.26 -1.14 116.67 121.20 1u9m s ASP 53 Ca 0.00 0.86 0.15 0.00 -0.52 0.00 0.00 52.55 53.04 1u9m s ASP 53 Cb 0.00 -2.38 0.37 0.00 -1.46 0.00 0.00 42.92 39.45 1u9m s ASP 53 CO 0.00 -0.42 1.27 0.00 0.52 0.00 0.00 175.17 176.54 1u9m n ALA 54 N 5.75 2.54 -0.03 3.66 0.00 0.01 -4.80 120.51 127.65 1u9m n ALA 54 Ca 0.02 -2.12 -0.10 0.00 0.00 0.00 0.00 53.44 51.23 1u9m n ALA 54 Cb 0.48 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1u9m n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u9m h THR 55 N 1.05 0.23 -0.56 0.00 2.02 -1.91 -1.59 112.91 112.16 1u9m h THR 55 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1u9m h THR 55 Cb 1.11 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 1u9m h THR 55 CO 0.10 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.80 1u9m h GLU 56 N -0.39 0.29 -0.28 6.66 4.39 -1.94 -1.63 114.58 121.69 1u9m h GLU 56 Ca 0.11 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 1u9m h GLU 56 Cb 0.57 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1u9m h GLU 56 CO -0.41 0.19 -0.45 -0.91 -1.16 0.00 0.00 179.01 176.27 1u9m h ASN 57 N 0.30 0.77 -0.45 1.42 4.21 -1.86 -2.11 115.58 117.86 1u9m h ASN 57 Ca 0.28 -0.37 -0.04 0.00 1.21 0.00 0.00 56.30 57.39 1u9m h ASN 57 Cb 0.38 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1u9m h ASN 57 CO -0.34 1.11 0.17 -0.25 -1.29 0.00 0.00 177.43 176.82 1u9m h TRP 58 N 0.57 0.75 0.00 1.19 2.91 -0.97 -2.75 115.95 117.65 1u9m h TRP 58 Ca 0.04 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1u9m h TRP 58 Cb 1.00 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 1u9m h TRP 58 CO 0.05 0.61 -0.28 0.39 -1.03 0.00 0.00 178.44 178.18 1u9m n GLU 59 N -4.32 0.12 0.08 2.65 -0.58 -0.64 -4.15 120.64 113.80 1u9m n GLU 59 Ca 0.04 0.06 -0.22 0.00 -0.42 0.00 0.00 57.16 56.62 1u9m n GLU 59 Cb 0.18 -1.60 -0.13 0.00 -0.57 0.00 0.00 31.44 29.32 1u9m n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1u9m h ASP 60 N 0.00 0.87 0.39 1.62 3.32 -1.07 -3.37 116.42 118.19 1u9m h ASP 60 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1u9m h ASP 60 Cb 0.60 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1u9m h ASP 60 CO 0.00 1.59 -0.01 1.33 -1.72 0.00 0.00 179.24 180.43 1u9m n VAL 61 N -3.83 0.00 -2.30 -1.35 0.24 -1.24 -4.97 118.33 104.88 1u9m n VAL 61 Ca -0.13 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.34 62.10 1u9m n VAL 61 Cb 0.96 -0.45 0.03 0.00 -1.47 0.00 0.00 33.84 32.91 1u9m n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u9m n GLY 62 N 1.21 0.18 3.77 7.63 0.00 -1.26 -5.00 105.19 111.72 1u9m n GLY 62 Ca 0.17 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1u9m n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u9m s HIS 63 N -3.13 2.74 0.97 1.61 3.76 -1.26 -5.00 115.29 114.97 1u9m s HIS 63 Ca 0.08 1.31 -0.14 0.00 -0.15 0.00 0.00 55.06 56.17 1u9m s HIS 63 Cb -0.01 -3.83 0.17 0.00 1.11 0.00 0.00 32.58 30.03 1u9m s HIS 63 CO 0.26 -2.46 1.14 -1.54 -0.85 0.00 0.00 174.74 171.28 1u9m s SER 64 N -0.46 2.96 0.37 1.40 1.04 -1.26 -4.84 113.70 112.91 1u9m s SER 64 Ca 0.54 0.90 0.11 0.00 0.48 0.00 0.00 55.95 57.98 1u9m s SER 64 Cb -0.42 -1.40 0.73 0.00 0.10 0.00 0.00 66.02 65.03 1u9m s SER 64 CO 0.56 -2.89 1.85 0.74 0.98 0.00 0.00 173.24 174.47 1u9m h THR 65 N -1.73 1.24 -0.51 2.02 2.02 -1.99 -1.67 112.91 112.28 1u9m h THR 65 Ca -0.50 -1.12 -0.12 0.00 0.77 0.00 0.00 66.41 65.44 1u9m h THR 65 Cb 1.32 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 1u9m h THR 65 CO 0.56 0.33 -0.16 0.44 0.37 0.00 0.00 175.52 177.06 1u9m h ASP 66 N 0.08 1.02 -0.38 4.18 3.45 -2.00 -1.87 116.42 120.90 1u9m h ASP 66 Ca 0.01 -0.36 -0.12 0.00 0.43 0.00 0.00 57.03 57.00 1u9m h ASP 66 Cb 0.58 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1u9m h ASP 66 CO 0.04 1.15 -0.20 0.00 -1.57 0.00 0.00 179.24 178.66 1u9m h ALA 67 N 0.93 0.82 -0.59 3.45 0.00 -1.79 -1.80 119.26 120.28 1u9m h ALA 67 Ca 0.13 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1u9m h ALA 67 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1u9m h ALA 67 CO 0.06 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 1u9m h ARG 68 N 0.76 1.04 -0.37 0.00 3.08 -1.15 -0.62 114.38 117.11 1u9m h ARG 68 Ca 0.11 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 1u9m h ARG 68 Cb 0.73 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1u9m h ARG 68 CO 0.06 1.03 -0.26 0.93 -1.07 0.00 0.00 179.97 180.66 1u9m h GLU 69 N 0.95 0.77 -0.25 0.04 5.08 -1.24 -2.81 114.58 117.12 1u9m h GLU 69 Ca 0.17 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1u9m h GLU 69 Cb 0.57 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1u9m h GLU 69 CO 0.03 0.94 -0.21 1.25 -1.00 0.00 0.00 179.01 180.03 1u9m h LEU 70 N 0.66 0.44 -1.60 1.33 5.85 -1.03 -2.85 115.31 118.12 1u9m h LEU 70 Ca 0.08 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1u9m h LEU 70 Cb 0.78 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1u9m h LEU 70 CO 0.06 0.67 -0.03 0.77 -0.34 0.00 0.00 178.44 179.57 1u9m h SER 71 N 0.41 0.20 0.05 1.25 4.64 -0.85 -2.75 113.55 116.49 1u9m h SER 71 Ca 0.07 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u9m h SER 71 Cb 0.60 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1u9m h SER 71 CO 0.04 0.27 -0.01 0.11 -0.87 0.00 0.00 176.83 176.36 1u9m h LYS 72 N 0.22 0.00 0.00 4.77 1.79 -1.45 -2.09 116.57 119.81 1u9m h LYS 72 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1u9m h LYS 72 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1u9m h LYS 72 CO 0.01 0.01 0.00 0.25 -1.08 0.00 0.00 179.45 178.64 1u9m n THR 73 N -3.79 0.67 0.97 -0.16 -2.24 -1.04 -2.99 114.28 105.70 1u9m n THR 73 Ca -0.03 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1u9m n THR 73 Cb 0.10 -0.87 0.08 0.00 -2.10 0.00 0.00 70.33 67.54 1u9m n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1u9m n PHE 74 N -1.93 0.00 -2.18 4.78 3.72 -0.79 -4.95 117.46 116.11 1u9m n PHE 74 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1u9m n PHE 74 Cb 0.28 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1u9m n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1u9m s ILE 75 N -2.02 3.52 -0.17 4.37 1.01 -1.16 -1.31 121.20 125.45 1u9m s ILE 75 Ca 0.26 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.90 1u9m s ILE 75 Cb 0.19 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1u9m s ILE 75 CO 0.33 0.02 0.52 2.30 0.00 0.00 0.00 174.94 178.11 1u9m n ILE 76 N 4.46 0.00 -3.92 2.92 -5.35 -0.23 -4.96 119.36 112.28 1u9m n ILE 76 Ca 0.13 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1u9m n ILE 76 Cb 0.43 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1u9m n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u9m n GLY 77 N 0.12 -0.89 3.33 3.28 0.00 -1.24 -4.87 105.19 104.93 1u9m n GLY 77 Ca 0.01 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 1u9m n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9m s GLU 78 N -1.84 1.29 0.20 1.61 2.02 -0.34 -0.32 118.70 121.31 1u9m s GLU 78 Ca 0.00 -1.49 -0.30 0.00 0.02 0.00 0.00 54.97 53.20 1u9m s GLU 78 Cb 0.00 -1.19 -0.08 0.00 0.10 0.00 0.00 34.13 32.95 1u9m s GLU 78 CO 0.00 0.22 1.19 -1.17 0.02 0.00 0.00 175.26 175.52 1u9m s LEU 79 N -3.00 4.46 0.25 1.80 2.96 0.66 -1.49 118.68 124.32 1u9m s LEU 79 Ca 0.19 2.24 -0.31 0.00 -0.22 0.00 0.00 54.13 56.03 1u9m s LEU 79 Cb -0.03 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.92 1u9m s LEU 79 CO 0.07 -0.35 1.37 1.57 -1.32 0.00 0.00 176.35 177.68 1u9m n HIS 80 N 2.34 2.10 -0.21 5.38 -0.00 0.97 -4.79 115.22 121.02 1u9m n HIS 80 Ca 0.04 0.47 0.30 0.00 -0.00 0.00 0.00 57.72 58.52 1u9m n HIS 80 Cb 0.45 -2.44 0.73 0.00 -0.00 0.00 0.00 29.99 28.72 1u9m n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1u9m h PRO 81 N 3.90 0.01 0.00 1.57 0.11 -1.92 0.41 132.00 136.08 1u9m h PRO 81 Ca -0.45 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1u9m h PRO 81 Cb 1.28 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1u9m h PRO 81 CO 0.73 0.01 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.72 1u9m h ASP 82 N 0.01 0.00 -0.24 -2.05 3.45 -1.98 -2.94 116.42 112.67 1u9m h ASP 82 Ca 0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.92 1u9m h ASP 82 Cb 1.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.59 1u9m h ASP 82 CO -0.01 0.37 0.00 0.47 -1.57 0.00 0.00 179.24 178.50 1u9m n ASP 83 N -3.84 1.87 -0.78 6.45 8.00 0.13 -5.13 116.55 123.24 1u9m n ASP 83 Ca -0.01 -1.81 0.13 0.00 0.71 0.00 0.00 54.79 53.80 1u9m n ASP 83 Cb 0.44 -0.16 0.26 0.00 -0.02 0.00 0.00 41.12 41.64 1u9m n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35