#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy0 n PHE 1 N 0.00 1.22 -2.82 -1.40 7.35 -1.26 -5.02 117.46 115.53 1jy0 n PHE 1 Ca 0.00 -1.71 -0.42 0.00 -0.76 0.00 0.00 57.45 54.56 1jy0 n PHE 1 Cb 0.00 -0.26 -0.04 0.00 0.35 0.00 0.00 39.48 39.54 1jy0 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jy0 s ASN 2 N -3.27 6.89 0.07 -2.13 0.01 -1.26 -5.03 114.94 110.21 1jy0 s ASN 2 Ca 0.39 1.09 0.01 0.00 -0.71 0.00 0.00 52.86 53.63 1jy0 s ASN 2 Cb 0.37 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1jy0 s ASN 2 CO -0.04 -0.59 0.18 -0.76 -1.51 0.00 0.00 177.10 174.37 1jy0 s LEU 3 N 3.01 4.21 0.60 0.60 1.43 -1.26 -0.85 118.68 126.41 1jy0 s LEU 3 Ca 0.38 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 1jy0 s LEU 3 Cb -0.15 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1jy0 s LEU 3 CO 0.08 0.17 1.04 -2.16 0.23 0.00 0.00 176.35 175.71 1jy0 s PRO 4 N -2.51 3.41 0.00 1.29 0.04 -1.26 -4.58 135.00 131.38 1jy0 s PRO 4 Ca 0.33 1.07 0.29 0.00 0.04 0.00 0.00 61.00 62.74 1jy0 s PRO 4 Cb -0.13 -2.05 1.35 0.00 0.04 0.00 0.00 34.50 33.71 1jy0 s PRO 4 CO 0.26 -0.73 1.97 -0.35 0.04 0.00 0.00 177.00 178.19 1jy0 n PRO 5 N -2.19 0.20 -0.47 0.56 -0.04 -1.26 -4.92 135.00 126.88 1jy0 n PRO 5 Ca 0.08 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1jy0 n PRO 5 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1jy0 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jy0 n GLY 6 N 1.34 -2.01 3.29 0.55 0.00 -1.26 -5.11 105.19 101.99 1jy0 n GLY 6 Ca 0.10 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 1jy0 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jy0 s ASN 7 N -2.56 1.48 -0.08 1.61 2.20 -1.26 -5.06 114.94 111.27 1jy0 s ASN 7 Ca 0.24 -1.70 0.14 0.00 -0.94 0.00 0.00 52.86 50.60 1jy0 s ASN 7 Cb -0.02 0.55 0.47 0.00 -2.00 0.00 0.00 41.25 40.26 1jy0 s ASN 7 CO 0.18 -1.06 1.39 -1.22 -2.94 0.00 0.00 177.10 173.45 1jy0 n TYR 8 N -0.59 0.84 -0.25 1.54 4.01 -1.26 -4.63 117.16 116.83 1jy0 n TYR 8 Ca 0.07 -0.65 0.06 0.00 -0.16 0.00 0.00 57.90 57.22 1jy0 n TYR 8 Cb 0.63 -0.17 0.31 0.00 -0.31 0.00 0.00 39.34 39.79 1jy0 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jy0 h LYS 9 N 2.41 0.84 -5.51 -0.72 6.56 -1.97 -3.44 116.57 114.74 1jy0 h LYS 9 Ca 0.00 -0.05 -0.49 0.00 -1.06 0.00 0.00 60.65 59.04 1jy0 h LYS 9 Cb 1.12 -0.19 -0.14 0.00 -0.57 0.00 0.00 32.23 32.46 1jy0 h LYS 9 CO 0.12 0.56 -0.67 -1.59 -2.06 0.00 0.00 179.45 175.81 1jy0 s LYS 10 N -5.78 1.56 0.72 3.15 0.00 -1.26 -5.14 119.74 112.99 1jy0 s LYS 10 Ca -0.11 -1.79 -0.11 0.00 0.00 0.00 0.00 55.97 53.96 1jy0 s LYS 10 Cb 0.20 -1.15 0.02 0.00 0.00 0.00 0.00 37.83 36.90 1jy0 s LYS 10 CO 0.79 0.03 1.07 -2.14 0.00 0.00 0.00 175.35 175.10 1jy0 s PRO 11 N -3.73 2.71 0.26 1.78 0.02 -1.26 -4.70 135.00 130.07 1jy0 s PRO 11 Ca 0.30 0.74 -0.01 0.00 0.02 0.00 0.00 61.00 62.05 1jy0 s PRO 11 Cb 0.04 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 1jy0 s PRO 11 CO 0.12 -1.21 0.27 0.15 -0.33 0.00 0.00 177.00 176.00 1jy0 s LYS 12 N -5.15 1.50 -0.09 5.54 -0.14 0.13 -4.06 119.74 117.47 1jy0 s LYS 12 Ca 0.59 -1.69 -0.00 0.00 -1.36 0.00 0.00 55.97 53.50 1jy0 s LYS 12 Cb -0.13 0.34 -0.03 0.00 -1.68 0.00 0.00 37.83 36.33 1jy0 s LYS 12 CO 0.54 -0.55 -0.06 -0.51 -0.76 0.00 0.00 175.35 174.01 1jy0 s LEU 13 N -3.20 3.19 -0.54 3.17 1.43 0.11 -0.76 118.68 122.07 1jy0 s LEU 13 Ca 0.36 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1jy0 s LEU 13 Cb 0.04 -1.71 0.14 0.00 0.03 0.00 0.00 46.19 44.68 1jy0 s LEU 13 CO 0.17 0.32 0.45 -0.76 0.23 0.00 0.00 176.35 176.76 1jy0 s LEU 14 N -0.55 5.96 -0.23 1.79 1.43 -1.26 0.25 118.68 126.07 1jy0 s LEU 14 Ca 0.08 -2.01 -0.20 0.00 -1.03 0.00 0.00 54.13 50.97 1jy0 s LEU 14 Cb -0.12 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1jy0 s LEU 14 CO 0.02 -0.72 0.62 -0.47 0.23 0.00 0.00 176.35 176.03 1jy0 s TYR 15 N 1.23 3.32 -0.34 0.29 5.04 0.01 -1.42 117.35 125.49 1jy0 s TYR 15 Ca 0.07 0.85 -0.13 0.00 -2.44 0.00 0.00 57.07 55.42 1jy0 s TYR 15 Cb -0.25 -2.82 -0.02 0.00 0.35 0.00 0.00 41.96 39.22 1jy0 s TYR 15 CO -0.01 -0.26 0.26 0.00 -1.34 0.00 0.00 175.55 174.20 1jy0 h SER 17 N 8.48 0.00 -0.64 0.00 0.87 -1.85 -0.79 113.55 119.60 1jy0 h SER 17 Ca -0.31 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.37 1jy0 h SER 17 Cb 1.16 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.99 1jy0 h SER 17 CO 0.64 0.00 -0.25 -1.13 -0.53 0.00 0.00 176.83 175.56 1jy0 h ASN 18 N 0.00 -0.89 0.00 6.23 -1.24 -1.83 -3.21 115.58 114.65 1jy0 h ASN 18 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1jy0 h ASN 18 Cb 0.35 0.50 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1jy0 h ASN 18 CO 0.00 -0.27 0.00 0.61 -1.29 0.00 0.00 177.43 176.48 1jy0 n GLY 19 N -1.45 -0.43 1.73 1.57 0.00 -1.24 -4.63 105.19 100.74 1jy0 n GLY 19 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1jy0 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jy0 n GLY 20 N -0.01 0.53 3.57 -0.02 0.00 -0.34 -4.97 105.19 103.95 1jy0 n GLY 20 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1jy0 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jy0 s HIS 21 N -3.06 2.67 -0.12 1.61 3.76 -0.96 -4.57 115.29 114.61 1jy0 s HIS 21 Ca 0.07 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.68 1jy0 s HIS 21 Cb -0.03 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 1jy0 s HIS 21 CO 0.14 0.47 0.22 -0.06 -0.85 0.00 0.00 174.74 174.66 1jy0 s PHE 22 N -1.50 3.57 0.18 1.40 0.08 0.61 -0.06 117.98 122.26 1jy0 s PHE 22 Ca 0.23 0.60 -0.31 0.00 0.12 0.00 0.00 56.93 57.57 1jy0 s PHE 22 Cb -0.10 -2.12 -0.10 0.00 -0.57 0.00 0.00 43.02 40.13 1jy0 s PHE 22 CO 0.14 0.55 1.54 -1.17 -0.10 0.00 0.00 175.22 176.19 1jy0 s LEU 23 N -0.53 4.37 -0.02 -0.37 2.96 -0.50 -1.49 118.68 123.09 1jy0 s LEU 23 Ca 0.16 2.62 0.04 0.00 -0.22 0.00 0.00 54.13 56.73 1jy0 s LEU 23 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1jy0 s LEU 23 CO 0.05 -0.80 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.55 1jy0 s ARG 24 N 0.82 1.15 -0.32 1.98 3.52 0.82 -4.43 118.95 122.48 1jy0 s ARG 24 Ca 0.68 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.86 1jy0 s ARG 24 Cb -0.43 -1.08 0.08 0.00 -1.56 0.00 0.00 34.95 31.96 1jy0 s ARG 24 CO 0.34 0.23 0.01 0.42 -0.81 0.00 0.00 175.30 175.49 1jy0 s ILE 25 N -0.12 2.38 0.51 4.11 1.01 -0.84 -1.56 121.20 126.69 1jy0 s ILE 25 Ca 0.02 -2.02 -0.20 0.00 0.00 0.00 0.00 60.65 58.44 1jy0 s ILE 25 Cb -0.07 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.72 1jy0 s ILE 25 CO 0.00 -0.39 1.07 -0.76 0.00 0.00 0.00 174.94 174.86 1jy0 s LEU 26 N 1.01 3.78 0.47 2.97 1.43 0.18 -4.82 118.68 123.70 1jy0 s LEU 26 Ca 0.03 2.00 0.26 0.00 -1.03 0.00 0.00 54.13 55.39 1jy0 s LEU 26 Cb -0.20 -4.56 1.30 0.00 0.03 0.00 0.00 46.19 42.76 1jy0 s LEU 26 CO -0.06 -0.97 1.83 -0.65 0.23 0.00 0.00 176.35 176.73 1jy0 h PRO 27 N 1.34 0.20 -0.06 1.29 0.11 -1.98 0.30 132.00 133.20 1jy0 h PRO 27 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jy0 h PRO 27 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jy0 h PRO 27 CO 0.58 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1jy0 n ASP 28 N -4.41 0.36 0.00 -2.05 5.75 -1.26 -4.84 116.55 110.09 1jy0 n ASP 28 Ca 0.22 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1jy0 n ASP 28 Cb 0.95 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1jy0 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jy0 n GLY 29 N 0.70 1.08 3.76 6.12 0.00 0.11 -4.96 105.19 112.00 1jy0 n GLY 29 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1jy0 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jy0 s THR 30 N -2.39 2.72 -0.07 2.61 2.01 -1.24 -1.28 115.64 118.00 1jy0 s THR 30 Ca 0.00 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.62 1jy0 s THR 30 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1jy0 s THR 30 CO 0.00 0.03 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.07 1jy0 s VAL 31 N -1.39 1.68 0.00 3.82 1.01 -1.26 -0.65 120.40 123.61 1jy0 s VAL 31 Ca 0.63 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1jy0 s VAL 31 Cb -0.34 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1jy0 s VAL 31 CO 0.42 0.48 0.00 -0.90 0.00 0.00 0.00 175.10 175.10 1jy0 n ASP 32 N 3.42 0.00 -4.18 3.32 5.75 -0.60 -4.56 116.55 119.69 1jy0 n ASP 32 Ca -0.20 -0.30 -0.22 0.00 -0.01 0.00 0.00 54.79 54.07 1jy0 n ASP 32 Cb 0.52 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.48 1jy0 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jy0 s GLY 33 N -0.50 0.91 0.04 6.12 0.00 0.40 -0.13 107.32 114.16 1jy0 s GLY 33 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1jy0 s GLY 33 CO 0.00 -0.86 -0.10 -1.08 0.00 0.00 0.00 173.10 171.06 1jy0 s THR 34 N -0.82 0.74 -1.82 0.90 -1.32 -0.56 -4.81 115.64 107.96 1jy0 s THR 34 Ca 0.04 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 59.75 1jy0 s THR 34 Cb -0.08 -0.75 0.13 0.00 -1.51 0.00 0.00 72.50 70.29 1jy0 s THR 34 CO 0.01 -0.22 1.34 0.54 -2.21 0.00 0.00 174.62 174.08 1jy0 n ARG 35 N 1.67 0.93 -2.65 7.08 1.74 -1.26 -0.28 116.66 123.89 1jy0 n ARG 35 Ca -0.20 -0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 55.79 1jy0 n ARG 35 Cb 0.55 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1jy0 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jy0 s ASP 36 N -2.53 6.25 0.49 0.55 2.15 -1.26 -4.87 116.67 117.46 1jy0 s ASP 36 Ca 0.21 -0.40 0.33 0.00 0.43 0.00 0.00 52.55 53.11 1jy0 s ASP 36 Cb 0.19 -2.52 1.68 0.00 -0.30 0.00 0.00 42.92 41.97 1jy0 s ASP 36 CO 0.56 -1.60 2.00 -0.09 -0.17 0.00 0.00 175.17 175.88 1jy0 h ARG 37 N 9.73 0.00 -0.00 4.34 1.12 -2.01 -1.12 114.38 126.45 1jy0 h ARG 37 Ca -0.27 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 1jy0 h ARG 37 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 1jy0 h ARG 37 CO 1.21 0.00 -0.26 -1.13 -3.11 0.00 0.00 179.97 176.68 1jy0 n SER 38 N -2.72 0.37 -4.66 -3.80 3.41 -1.26 -4.91 113.62 100.05 1jy0 n SER 38 Ca -0.01 -0.12 -0.45 0.00 -0.26 0.00 0.00 58.87 58.03 1jy0 n SER 38 Cb 0.12 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1jy0 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jy0 n ASP 39 N -1.35 2.57 -0.19 4.04 -0.08 -0.43 -4.88 116.55 116.24 1jy0 n ASP 39 Ca 0.08 1.16 0.15 0.00 -1.51 0.00 0.00 54.79 54.66 1jy0 n ASP 39 Cb 0.33 -1.41 0.67 0.00 2.34 0.00 0.00 41.12 43.04 1jy0 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jy0 n GLN 40 N 1.68 1.03 -0.31 -0.67 1.13 -1.26 -3.73 117.38 115.25 1jy0 n GLN 40 Ca 0.10 -0.37 0.07 0.00 -1.94 0.00 0.00 57.00 54.86 1jy0 n GLN 40 Cb 0.32 -1.49 0.21 0.00 0.11 0.00 0.00 30.24 29.38 1jy0 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jy0 n HIS 41 N -0.66 0.72 0.86 1.08 8.25 -1.26 -4.40 115.22 119.81 1jy0 n HIS 41 Ca 0.18 -0.65 0.09 0.00 -0.26 0.00 0.00 57.72 57.08 1jy0 n HIS 41 Cb 0.26 -0.15 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 1jy0 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jy0 n ILE 42 N 0.17 0.00 -2.65 1.59 -5.35 -1.24 -1.99 119.36 109.89 1jy0 n ILE 42 Ca 0.16 -0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 62.01 1jy0 n ILE 42 Cb 0.64 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.65 1jy0 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jy0 s GLN 43 N -2.42 4.04 0.05 6.28 1.11 -1.26 -4.48 119.66 122.97 1jy0 s GLN 43 Ca 0.12 1.02 0.09 0.00 0.01 0.00 0.00 55.36 56.61 1jy0 s GLN 43 Cb 0.15 -3.75 -0.03 0.00 -1.01 0.00 0.00 33.01 28.37 1jy0 s GLN 43 CO 0.60 -0.93 -0.26 -0.51 0.01 0.00 0.00 175.29 174.20 1jy0 s LEU 44 N 3.69 2.18 -0.24 2.90 1.43 0.06 -1.42 118.68 127.27 1jy0 s LEU 44 Ca 0.45 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1jy0 s LEU 44 Cb -0.12 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1jy0 s LEU 44 CO 0.16 0.25 -0.03 -1.58 0.23 0.00 0.00 176.35 175.39 1jy0 s GLN 45 N -1.29 3.18 0.04 1.70 2.00 0.17 0.21 119.66 125.67 1jy0 s GLN 45 Ca 0.12 -0.76 -0.02 0.00 -2.00 0.00 0.00 55.36 52.70 1jy0 s GLN 45 Cb -0.10 -3.06 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 1jy0 s GLN 45 CO 0.02 -0.29 0.22 -0.51 -0.50 0.00 0.00 175.29 174.23 1jy0 s LEU 46 N 1.44 4.36 0.00 3.68 1.02 -1.26 -1.20 118.68 126.72 1jy0 s LEU 46 Ca 0.04 0.36 -0.07 0.00 0.02 0.00 0.00 54.13 54.47 1jy0 s LEU 46 Cb -0.15 -2.85 0.00 0.00 0.02 0.00 0.00 46.19 43.21 1jy0 s LEU 46 CO -0.03 0.20 0.14 -0.94 0.02 0.00 0.00 176.35 175.74 1jy0 s SER 47 N -2.22 0.03 -0.22 2.29 1.04 -0.88 -4.72 113.70 109.02 1jy0 s SER 47 Ca 0.32 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.44 1jy0 s SER 47 Cb -0.13 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 1jy0 s SER 47 CO 0.23 -0.37 0.14 0.00 0.98 0.00 0.00 173.24 174.23 1jy0 s ALA 48 N -1.38 3.66 -0.08 5.32 0.00 -1.26 -1.56 121.76 126.46 1jy0 s ALA 48 Ca -0.15 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1jy0 s ALA 48 Cb -0.08 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1jy0 s ALA 48 CO 0.02 0.02 -0.05 0.93 0.00 0.00 0.00 175.76 176.67 1jy0 h GLU 49 N 7.01 0.00 -5.59 0.00 4.39 -0.83 -3.48 114.58 116.07 1jy0 h GLU 49 Ca -0.40 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.72 1jy0 h GLU 49 Cb 1.16 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.67 1jy0 h GLU 49 CO 0.72 0.00 -0.62 -1.12 -1.16 0.00 0.00 179.01 176.83 1jy0 s SER 50 N -4.85 3.45 0.15 1.42 0.01 -1.23 -5.00 113.70 107.66 1jy0 s SER 50 Ca -0.04 -1.33 -0.32 0.00 1.31 0.00 0.00 55.95 55.56 1jy0 s SER 50 Cb 0.01 -0.31 -0.11 0.00 0.21 0.00 0.00 66.02 65.81 1jy0 s SER 50 CO 0.06 -0.44 1.78 0.52 0.41 0.00 0.00 173.24 175.57 1jy0 n VAL 51 N -0.86 0.22 -0.96 3.43 0.31 -1.26 -0.81 118.33 118.40 1jy0 n VAL 51 Ca -0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1jy0 n VAL 51 Cb 0.66 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1jy0 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jy0 n GLY 52 N 4.08 0.64 3.33 2.92 0.00 -1.26 -5.01 105.19 109.90 1jy0 n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1jy0 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jy0 s GLU 53 N -0.21 3.40 0.18 1.61 2.02 0.01 -1.26 118.70 124.44 1jy0 s GLU 53 Ca 0.00 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1jy0 s GLU 53 Cb 0.00 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 1jy0 s GLU 53 CO 0.00 -0.07 -0.01 0.14 0.02 0.00 0.00 175.26 175.34 1jy0 s VAL 54 N 1.12 0.77 -0.01 2.63 -7.23 0.02 -0.06 120.40 117.64 1jy0 s VAL 54 Ca 0.01 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1jy0 s VAL 54 Cb -0.15 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1jy0 s VAL 54 CO -0.01 -0.48 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.88 1jy0 s TYR 55 N -3.59 2.77 -0.28 2.82 2.02 -0.60 -1.37 117.35 119.11 1jy0 s TYR 55 Ca 0.24 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1jy0 s TYR 55 Cb 0.06 -1.60 0.07 0.00 -0.40 0.00 0.00 41.96 40.09 1jy0 s TYR 55 CO 0.04 0.28 -0.04 0.42 -1.57 0.00 0.00 175.55 174.68 1jy0 s ILE 56 N -0.88 2.02 0.02 2.71 1.01 -1.26 -2.08 121.20 122.75 1jy0 s ILE 56 Ca 0.14 -1.76 0.07 0.00 0.00 0.00 0.00 60.65 59.11 1jy0 s ILE 56 Cb -0.11 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1jy0 s ILE 56 CO 0.04 -0.24 -0.20 -0.54 0.00 0.00 0.00 174.94 174.00 1jy0 s LYS 57 N 1.12 2.07 -0.10 2.79 -0.14 -0.34 0.08 119.74 125.21 1jy0 s LYS 57 Ca -0.02 -0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 1jy0 s LYS 57 Cb -0.19 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.77 1jy0 s LYS 57 CO -0.07 0.55 1.41 0.45 -0.76 0.00 0.00 175.35 176.92 1jy0 s SER 58 N -1.20 6.85 0.27 2.83 0.15 0.66 0.46 113.70 123.72 1jy0 s SER 58 Ca 0.13 1.93 0.10 0.00 0.70 0.00 0.00 55.95 58.81 1jy0 s SER 58 Cb -0.10 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.03 1jy0 s SER 58 CO 0.03 -0.80 1.62 0.71 1.20 0.00 0.00 173.24 175.99 1jy0 h THR 59 N 5.43 1.43 -0.18 6.45 1.35 -1.57 0.30 112.91 126.12 1jy0 h THR 59 Ca -0.32 -2.08 -0.08 0.00 -0.55 0.00 0.00 66.41 63.38 1jy0 h THR 59 Cb 1.14 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1jy0 h THR 59 CO 0.95 0.60 -0.21 -0.08 -0.25 0.00 0.00 175.52 176.53 1jy0 h GLU 60 N 0.01 0.47 0.00 4.72 4.57 -1.80 -3.37 114.58 119.18 1jy0 h GLU 60 Ca -0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1jy0 h GLU 60 Cb 1.08 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1jy0 h GLU 60 CO 0.08 0.83 -0.46 0.25 -1.18 0.00 0.00 179.01 178.53 1jy0 n THR 61 N -4.45 0.00 -0.82 0.32 -2.24 -1.22 -5.00 114.28 100.87 1jy0 n THR 61 Ca -0.06 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1jy0 n THR 61 Cb 0.41 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1jy0 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jy0 n GLY 62 N 1.26 1.34 3.78 3.38 0.00 0.11 -5.00 105.19 110.06 1jy0 n GLY 62 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1jy0 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jy0 s GLN 63 N -0.01 3.85 -0.14 1.61 -0.21 -1.25 -4.68 119.66 118.82 1jy0 s GLN 63 Ca 0.00 1.60 -0.08 0.00 0.02 0.00 0.00 55.36 56.90 1jy0 s GLN 63 Cb 0.00 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 1jy0 s GLN 63 CO 0.00 -0.44 0.13 0.71 -2.12 0.00 0.00 175.29 173.58 1jy0 s TYR 64 N -1.68 3.53 0.28 0.91 1.51 0.52 -0.24 117.35 122.18 1jy0 s TYR 64 Ca 0.63 0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 56.86 1jy0 s TYR 64 Cb -0.24 -2.00 -0.10 0.00 -0.11 0.00 0.00 41.96 39.51 1jy0 s TYR 64 CO 0.29 0.60 1.31 -1.17 -1.11 0.00 0.00 175.55 175.47 1jy0 s LEU 65 N -0.62 4.43 0.06 -1.29 2.96 0.11 -0.41 118.68 123.92 1jy0 s LEU 65 Ca 0.13 2.59 -0.14 0.00 -0.22 0.00 0.00 54.13 56.48 1jy0 s LEU 65 Cb -0.12 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1jy0 s LEU 65 CO 0.02 -0.53 0.32 0.00 -1.32 0.00 0.00 176.35 174.85 1jy0 s ALA 66 N -0.68 -0.72 -0.17 5.97 0.00 0.07 -4.35 121.76 121.88 1jy0 s ALA 66 Ca 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1jy0 s ALA 66 Cb -0.39 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1jy0 s ALA 66 CO 0.47 -0.46 -0.20 1.41 0.00 0.00 0.00 175.76 176.98 1jy0 s MET 67 N -2.84 3.00 1.09 0.00 1.75 -0.80 0.12 119.30 121.61 1jy0 s MET 67 Ca -0.03 -0.84 -0.18 0.00 -1.25 0.00 0.00 55.69 53.40 1jy0 s MET 67 Cb 0.00 -2.53 0.25 0.00 2.84 0.00 0.00 34.83 35.38 1jy0 s MET 67 CO -0.05 -0.16 1.22 0.16 -0.65 0.00 0.00 175.02 175.54 1jy0 s ASP 68 N 1.16 1.96 0.59 1.11 1.47 0.12 -4.79 116.67 118.29 1jy0 s ASP 68 Ca 0.02 0.44 0.29 0.00 1.18 0.00 0.00 52.55 54.48 1jy0 s ASP 68 Cb -0.14 -0.58 1.72 0.00 -0.34 0.00 0.00 42.92 43.59 1jy0 s ASP 68 CO -0.10 -3.46 2.15 0.00 0.68 0.00 0.00 175.17 174.44 1jy0 h THR 69 N -2.14 0.48 -0.73 2.11 1.03 -2.00 -0.51 112.91 111.15 1jy0 h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1jy0 h THR 69 Cb 1.26 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1jy0 h THR 69 CO 0.35 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.33 1jy0 n ASP 70 N -3.80 3.94 0.00 0.00 8.00 -1.26 -4.94 116.55 118.49 1jy0 n ASP 70 Ca -0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1jy0 n ASP 70 Cb 0.24 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1jy0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jy0 n GLY 71 N 1.67 0.54 3.80 0.44 0.00 -0.20 -4.67 105.19 106.76 1jy0 n GLY 71 Ca 0.25 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1jy0 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jy0 s LEU 72 N 0.00 4.44 0.15 0.99 1.43 -1.26 -0.97 118.68 123.46 1jy0 s LEU 72 Ca 0.00 0.99 -0.27 0.00 -1.03 0.00 0.00 54.13 53.82 1jy0 s LEU 72 Cb 0.00 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1jy0 s LEU 72 CO 0.00 0.23 0.86 -0.76 0.23 0.00 0.00 176.35 176.91 1jy0 s LEU 73 N -0.66 4.56 0.13 1.79 1.43 -1.26 0.13 118.68 124.80 1jy0 s LEU 73 Ca 0.25 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1jy0 s LEU 73 Cb -0.17 -3.43 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1jy0 s LEU 73 CO 0.14 0.10 0.29 -0.72 0.23 0.00 0.00 176.35 176.39 1jy0 s TYR 74 N -0.69 0.12 -0.29 0.29 1.13 0.12 -4.47 117.35 113.55 1jy0 s TYR 74 Ca 0.40 -0.50 -0.16 0.00 -1.41 0.00 0.00 57.07 55.40 1jy0 s TYR 74 Cb -0.23 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.65 1jy0 s TYR 74 CO 0.28 -0.66 0.44 0.20 -2.51 0.00 0.00 175.55 173.30 1jy0 s GLY 75 N -2.88 1.86 -0.09 5.49 0.00 -0.41 -0.75 107.32 110.54 1jy0 s GLY 75 Ca 0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.87 1jy0 s GLY 75 CO -0.08 1.11 0.21 -0.45 0.00 0.00 0.00 173.10 173.90 1jy0 s SER 76 N 1.65 6.49 0.22 1.64 0.15 0.45 -4.73 113.70 119.58 1jy0 s SER 76 Ca 0.17 0.59 0.05 0.00 0.70 0.00 0.00 55.95 57.46 1jy0 s SER 76 Cb -0.16 -2.12 0.19 0.00 -1.71 0.00 0.00 66.02 62.23 1jy0 s SER 76 CO 0.11 0.38 1.52 1.56 1.20 0.00 0.00 173.24 178.00 1jy0 h GLN 77 N 4.97 0.19 -5.98 5.44 1.08 -1.91 0.15 115.11 119.05 1jy0 h GLN 77 Ca -0.54 -0.15 -0.53 0.00 -1.45 0.00 0.00 58.65 55.99 1jy0 h GLN 77 Cb 1.22 0.03 -0.21 0.00 -0.05 0.00 0.00 27.48 28.47 1jy0 h GLN 77 CO 0.60 0.80 -0.81 0.95 -0.95 0.00 0.00 178.83 179.41 1jy0 s THR 78 N -3.59 1.61 0.08 -0.54 -4.23 -1.26 -4.80 115.64 102.91 1jy0 s THR 78 Ca -0.03 -1.54 -0.31 0.00 -1.18 0.00 0.00 61.69 58.63 1jy0 s THR 78 Cb 0.12 -1.50 -0.07 0.00 1.34 0.00 0.00 72.50 72.39 1jy0 s THR 78 CO 0.80 -0.12 1.29 -2.16 -0.54 0.00 0.00 174.62 173.89 1jy0 s PRO 79 N -1.98 4.38 0.32 3.99 0.04 -1.26 -4.89 135.00 135.60 1jy0 s PRO 79 Ca 0.06 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.07 1jy0 s PRO 79 Cb -0.09 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1jy0 s PRO 79 CO 0.04 -0.35 0.28 0.54 0.04 0.00 0.00 177.00 177.56 1jy0 s ASN 80 N 1.10 1.53 0.64 6.66 2.20 -1.26 -5.02 114.94 120.78 1jy0 s ASN 80 Ca 0.61 -1.72 0.36 0.00 -0.94 0.00 0.00 52.86 51.17 1jy0 s ASN 80 Cb -0.33 0.55 2.01 0.00 -2.00 0.00 0.00 41.25 41.49 1jy0 s ASN 80 CO 0.30 -1.07 2.22 1.05 -2.94 0.00 0.00 177.10 176.65 1jy0 h GLU 81 N 2.16 0.00 -0.00 3.55 4.11 -1.99 0.25 114.58 122.66 1jy0 h GLU 81 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1jy0 h GLU 81 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1jy0 h GLU 81 CO 0.38 0.00 -0.04 0.39 0.07 0.00 0.00 179.01 179.80 1jy0 n GLU 82 N -3.37 0.24 0.00 1.06 1.02 -1.26 -3.62 120.64 114.72 1jy0 n GLU 82 Ca -0.02 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1jy0 n GLU 82 Cb 0.18 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.31 1jy0 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jy0 s LEU 84 N -2.88 4.36 0.07 0.00 1.43 -1.24 -4.50 118.68 115.92 1jy0 s LEU 84 Ca 0.13 1.17 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1jy0 s LEU 84 Cb 0.18 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1jy0 s LEU 84 CO 0.69 -0.01 -0.18 -0.36 0.23 0.00 0.00 176.35 176.71 1jy0 s PHE 85 N 0.32 1.59 -0.47 0.29 0.40 -0.47 -1.35 117.98 118.29 1jy0 s PHE 85 Ca 0.34 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 56.07 1jy0 s PHE 85 Cb -0.18 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.47 1jy0 s PHE 85 CO 0.17 0.11 0.65 -0.51 0.70 0.00 0.00 175.22 176.35 1jy0 s LEU 86 N -1.48 4.61 -0.29 -0.37 1.43 0.21 -0.80 118.68 122.00 1jy0 s LEU 86 Ca 0.05 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 1jy0 s LEU 86 Cb -0.09 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 1jy0 s LEU 86 CO 0.03 -0.84 0.71 -0.70 0.23 0.00 0.00 176.35 175.77 1jy0 s GLU 87 N 2.83 3.98 0.15 1.70 2.12 -0.39 -1.40 118.70 127.70 1jy0 s GLU 87 Ca 0.21 0.50 0.04 0.00 0.36 0.00 0.00 54.97 56.08 1jy0 s GLU 87 Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1jy0 s GLU 87 CO 0.17 -0.58 -0.09 1.03 -0.54 0.00 0.00 175.26 175.25 1jy0 s ARG 88 N 2.75 1.07 0.32 4.30 1.81 -0.34 -4.71 118.95 124.15 1jy0 s ARG 88 Ca 0.29 -1.47 -0.24 0.00 -1.72 0.00 0.00 55.73 52.60 1jy0 s ARG 88 Cb -0.15 -0.58 -0.10 0.00 -0.45 0.00 0.00 34.95 33.68 1jy0 s ARG 88 CO 0.11 0.05 0.89 -1.17 -0.68 0.00 0.00 175.30 174.50 1jy0 s LEU 89 N -3.17 4.27 -0.01 2.53 2.96 -0.03 -0.50 118.68 124.71 1jy0 s LEU 89 Ca 0.18 1.71 -0.02 0.00 -0.22 0.00 0.00 54.13 55.78 1jy0 s LEU 89 Cb 0.03 -4.02 0.00 0.00 0.50 0.00 0.00 46.19 42.71 1jy0 s LEU 89 CO 0.01 -0.10 0.05 -0.70 -1.32 0.00 0.00 176.35 174.29 1jy0 s GLU 90 N -2.25 0.11 -1.28 1.98 2.56 0.84 -4.81 118.70 115.85 1jy0 s GLU 90 Ca 0.51 -0.02 -0.06 0.00 0.00 0.00 0.00 54.97 55.39 1jy0 s GLU 90 Cb -0.16 0.05 0.04 0.00 2.00 0.00 0.00 34.13 36.06 1jy0 s GLU 90 CO 0.21 -0.02 0.40 0.39 -0.56 0.00 0.00 175.26 175.69 1jy0 n GLU 91 N 2.82 -3.40 -2.17 4.30 1.02 -1.26 -0.55 120.64 121.40 1jy0 n GLU 91 Ca -0.14 0.58 -0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1jy0 n GLU 91 Cb 0.59 -5.29 -0.02 0.00 -0.02 0.00 0.00 31.44 26.70 1jy0 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jy0 n ASN 92 N -2.22 -4.54 0.00 1.62 4.13 -1.26 -4.61 115.26 108.37 1jy0 n ASN 92 Ca -0.06 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1jy0 n ASN 92 Cb 0.57 -3.90 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 1jy0 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jy0 n HIS 93 N -3.21 -1.98 -2.20 3.10 -0.00 0.29 -5.16 115.22 106.06 1jy0 n HIS 93 Ca -0.18 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.28 1jy0 n HIS 93 Cb 0.61 0.50 0.10 0.00 -0.00 0.00 0.00 29.99 31.20 1jy0 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1jy0 s TYR 94 N -2.00 2.41 -0.11 1.57 2.02 -0.13 -4.80 117.35 116.31 1jy0 s TYR 94 Ca 0.00 0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 1jy0 s TYR 94 Cb 0.00 -3.37 -0.03 0.00 -0.40 0.00 0.00 41.96 38.16 1jy0 s TYR 94 CO 0.00 -1.74 -0.05 -0.80 -1.57 0.00 0.00 175.55 171.39 1jy0 s ASN 95 N -4.64 4.77 0.14 2.29 -0.87 0.63 -0.11 114.94 117.16 1jy0 s ASN 95 Ca 0.64 -0.06 0.10 0.00 -1.57 0.00 0.00 52.86 51.97 1jy0 s ASN 95 Cb -0.08 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.25 39.60 1jy0 s ASN 95 CO 0.47 0.27 -0.23 0.42 -2.57 0.00 0.00 177.10 175.46 1jy0 s THR 96 N -0.24 2.00 -0.19 1.60 -4.23 0.34 -1.27 115.64 113.65 1jy0 s THR 96 Ca 0.04 -1.76 -0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1jy0 s THR 96 Cb -0.13 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 71.93 1jy0 s THR 96 CO 0.02 -0.07 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.68 1jy0 s TYR 97 N -1.38 1.83 -0.11 3.99 1.51 -1.26 -1.20 117.35 120.73 1jy0 s TYR 97 Ca 0.13 -1.27 -0.05 0.00 -1.01 0.00 0.00 57.07 54.87 1jy0 s TYR 97 Cb -0.09 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1jy0 s TYR 97 CO 0.06 -0.67 0.06 0.42 -1.11 0.00 0.00 175.55 174.32 1jy0 s ILE 98 N 1.59 4.85 -0.11 2.71 1.01 -0.49 -0.80 121.20 129.95 1jy0 s ILE 98 Ca -0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1jy0 s ILE 98 Cb -0.17 -3.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1jy0 s ILE 98 CO -0.07 0.59 1.88 -0.55 0.00 0.00 0.00 174.94 176.79 1jy0 s SER 99 N -0.80 6.22 0.09 3.58 0.15 -0.02 0.66 113.70 123.59 1jy0 s SER 99 Ca 0.13 2.11 -0.22 0.00 0.70 0.00 0.00 55.95 58.67 1jy0 s SER 99 Cb -0.12 -2.53 -0.14 0.00 -1.71 0.00 0.00 66.02 61.53 1jy0 s SER 99 CO 0.03 -1.31 1.74 0.50 1.20 0.00 0.00 173.24 175.39 1jy0 h LYS 100 N 11.56 0.05 -0.94 5.44 3.64 -1.54 0.90 116.57 135.68 1jy0 h LYS 100 Ca -0.41 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1jy0 h LYS 100 Cb 1.20 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1jy0 h LYS 100 CO 0.97 0.04 0.60 -0.22 -2.27 0.00 0.00 179.45 178.57 1jy0 h LYS 101 N 0.04 0.70 -0.39 1.90 1.63 -1.77 -1.78 116.57 116.91 1jy0 h LYS 101 Ca 0.01 -0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.57 1jy0 h LYS 101 Cb 0.00 -0.16 -0.12 0.00 -0.60 0.00 0.00 32.23 31.36 1jy0 h LYS 101 CO -0.00 0.46 -0.04 0.72 -3.45 0.00 0.00 179.45 177.14 1jy0 n HIS 102 N -4.61 1.20 -0.27 1.91 8.25 -1.05 -4.77 115.22 115.88 1jy0 n HIS 102 Ca 0.19 -1.62 0.06 0.00 -0.26 0.00 0.00 57.72 56.10 1jy0 n HIS 102 Cb 0.51 -0.52 0.21 0.00 1.12 0.00 0.00 29.99 31.31 1jy0 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jy0 h ALA 103 N 1.01 1.16 0.00 -1.41 0.00 0.10 -0.33 119.26 119.80 1jy0 h ALA 103 Ca 0.24 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jy0 h ALA 103 Cb 1.73 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1jy0 h ALA 103 CO 0.43 -0.16 -0.01 1.05 0.00 0.00 0.00 179.25 180.55 1jy0 h GLU 104 N 0.52 0.00 -0.01 0.00 9.09 -1.86 -1.64 114.58 120.69 1jy0 h GLU 104 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1jy0 h GLU 104 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1jy0 h GLU 104 CO -0.39 0.01 -0.26 1.63 0.05 0.00 0.00 179.01 180.06 1jy0 n LYS 105 N -3.78 0.87 -3.41 1.06 5.02 -0.15 -4.97 118.16 112.81 1jy0 n LYS 105 Ca -0.03 -0.52 -0.18 0.00 -2.02 0.00 0.00 58.31 55.57 1jy0 n LYS 105 Cb 0.10 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1jy0 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jy0 n ASN 106 N -0.62 -3.01 -4.63 4.39 4.13 -0.62 -4.95 115.26 109.96 1jy0 n ASN 106 Ca 0.12 -0.57 -0.40 0.00 1.68 0.00 0.00 54.58 55.41 1jy0 n ASN 106 Cb 0.35 -4.89 -0.07 0.00 -1.54 0.00 0.00 39.78 33.62 1jy0 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jy0 s TRP 107 N -3.33 3.28 0.32 3.10 0.52 -1.25 -4.47 118.94 117.11 1jy0 s TRP 107 Ca 0.13 0.67 0.08 0.00 0.02 0.00 0.00 56.10 57.01 1jy0 s TRP 107 Cb -0.06 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1jy0 s TRP 107 CO 0.70 -0.25 0.13 -0.06 0.02 0.00 0.00 176.95 177.49 1jy0 s PHE 108 N 2.21 2.77 -0.01 -1.98 0.40 -1.26 -0.84 117.98 119.27 1jy0 s PHE 108 Ca 0.22 -0.31 -0.28 0.00 -0.60 0.00 0.00 56.93 55.96 1jy0 s PHE 108 Cb -0.16 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1jy0 s PHE 108 CO 0.09 0.40 0.89 0.08 0.70 0.00 0.00 175.22 177.38 1jy0 s VAL 109 N -2.36 4.89 -0.01 -0.44 1.01 0.02 -4.61 120.40 118.89 1jy0 s VAL 109 Ca 0.36 1.86 -0.22 0.00 0.00 0.00 0.00 61.98 63.98 1jy0 s VAL 109 Cb -0.04 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.16 1jy0 s VAL 109 CO 0.23 0.21 0.49 -0.83 0.00 0.00 0.00 175.10 175.20 1jy0 s GLY 110 N 0.81 -0.37 -0.08 4.51 0.00 -1.26 -4.46 107.32 106.46 1jy0 s GLY 110 Ca 0.47 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.97 1jy0 s GLY 110 CO 0.25 0.46 -0.22 1.08 0.00 0.00 0.00 173.10 174.67 1jy0 s LEU 111 N -1.44 2.01 0.82 0.66 1.43 -0.69 -0.69 118.68 120.77 1jy0 s LEU 111 Ca -0.10 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1jy0 s LEU 111 Cb -0.02 -1.29 0.08 0.00 0.03 0.00 0.00 46.19 44.99 1jy0 s LEU 111 CO 0.05 0.16 1.11 -0.54 0.23 0.00 0.00 176.35 177.36 1jy0 s LYS 112 N 0.29 1.89 0.52 1.70 1.02 0.40 -4.46 119.74 121.10 1jy0 s LYS 112 Ca -0.15 0.48 0.17 0.00 0.02 0.00 0.00 55.97 56.50 1jy0 s LYS 112 Cb -0.17 -1.91 1.29 0.00 -0.52 0.00 0.00 37.83 36.53 1jy0 s LYS 112 CO 0.07 -1.72 2.13 0.87 -0.92 0.00 0.00 175.35 175.78 1jy0 h LYS 113 N -1.16 0.00 -0.04 1.68 1.57 -1.88 -1.23 116.57 115.51 1jy0 h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1jy0 h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1jy0 h LYS 113 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1jy0 n ASN 114 N -4.51 0.38 0.00 0.86 0.23 -1.26 -4.51 115.26 106.44 1jy0 n ASN 114 Ca -0.01 -1.48 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 1jy0 n ASN 114 Cb 0.17 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1jy0 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jy0 n GLY 115 N 0.87 0.83 3.85 4.83 0.00 -0.47 -4.99 105.19 110.12 1jy0 n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1jy0 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jy0 s SER 116 N -3.00 6.76 0.40 1.61 1.04 -1.26 -0.45 113.70 118.79 1jy0 s SER 116 Ca 0.00 1.15 -0.23 0.00 0.48 0.00 0.00 55.95 57.35 1jy0 s SER 116 Cb 0.00 -2.32 -0.10 0.00 0.10 0.00 0.00 66.02 63.70 1jy0 s SER 116 CO 0.00 -0.11 0.99 0.68 0.98 0.00 0.00 173.24 175.78 1jy0 s VAL 117 N -1.83 4.05 0.20 5.02 -7.23 -1.26 -0.45 120.40 118.89 1jy0 s VAL 117 Ca 0.49 1.47 -0.18 0.00 -1.81 0.00 0.00 61.98 61.95 1jy0 s VAL 117 Cb -0.12 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.04 1jy0 s VAL 117 CO 0.19 -0.09 0.66 -0.54 -0.31 0.00 0.00 175.10 175.02 1jy0 s LYS 118 N -2.69 4.15 0.21 4.82 1.02 0.13 -4.83 119.74 122.55 1jy0 s LYS 118 Ca 0.58 0.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.01 1jy0 s LYS 118 Cb -0.17 -2.89 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 1jy0 s LYS 118 CO 0.21 0.42 0.98 0.50 -0.92 0.00 0.00 175.35 176.54 1jy0 s ARG 119 N -1.99 4.77 0.15 1.68 3.52 -1.26 -4.59 118.95 121.22 1jy0 s ARG 119 Ca 0.41 1.54 -0.24 0.00 -0.13 0.00 0.00 55.73 57.32 1jy0 s ARG 119 Cb -0.16 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1jy0 s ARG 119 CO 0.20 0.37 1.29 0.41 -0.81 0.00 0.00 175.30 176.76 1jy0 n GLY 120 N 1.68 -2.08 0.22 8.12 0.00 -0.15 0.15 105.19 113.13 1jy0 n GLY 120 Ca -0.00 0.98 0.15 0.00 0.00 0.00 0.00 46.02 47.14 1jy0 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jy0 h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.87 0.29 132.00 132.13 1jy0 h PRO 121 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1jy0 h PRO 121 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1jy0 h PRO 121 CO -0.79 0.00 -0.37 0.54 -0.21 0.00 0.00 178.00 177.16 1jy0 n ARG 122 N -2.52 0.57 -3.27 1.05 5.12 0.12 -4.90 116.66 112.83 1jy0 n ARG 122 Ca -0.02 -0.35 -0.21 0.00 -1.93 0.00 0.00 57.85 55.34 1jy0 n ARG 122 Cb 0.08 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 1jy0 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jy0 s THR 123 N -2.67 4.24 -0.20 0.55 -4.23 0.09 -4.95 115.64 108.46 1jy0 s THR 123 Ca 0.19 -0.70 -0.34 0.00 -1.18 0.00 0.00 61.69 59.66 1jy0 s THR 123 Cb 0.18 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.65 1jy0 s THR 123 CO 0.59 -0.30 1.22 -1.38 -0.54 0.00 0.00 174.62 174.21 1jy0 s HIS 124 N -2.36 -0.14 0.40 3.99 -3.43 -1.26 -4.83 115.29 107.66 1jy0 s HIS 124 Ca 0.45 0.13 -0.26 0.00 -0.80 0.00 0.00 55.06 54.58 1jy0 s HIS 124 Cb -0.10 0.50 -0.11 0.00 -1.43 0.00 0.00 32.58 31.45 1jy0 s HIS 124 CO 0.35 -0.19 1.25 0.66 -2.00 0.00 0.00 174.74 174.81 1jy0 n TYR 125 N 0.10 2.08 0.00 0.38 4.01 -1.26 -2.60 117.16 119.87 1jy0 n TYR 125 Ca -0.01 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 1jy0 n TYR 125 Cb 0.58 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.24 1jy0 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jy0 n GLY 126 N 0.84 1.05 3.86 2.72 0.00 -1.26 -5.07 105.19 107.33 1jy0 n GLY 126 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1jy0 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jy0 s GLN 127 N -0.95 3.78 0.05 1.61 -0.21 -1.07 -4.98 119.66 117.89 1jy0 s GLN 127 Ca 0.00 0.74 0.03 0.00 0.02 0.00 0.00 55.36 56.15 1jy0 s GLN 127 Cb 0.00 -2.19 -0.25 0.00 1.00 0.00 0.00 33.01 31.58 1jy0 s GLN 127 CO 0.00 -0.31 1.04 0.87 -2.12 0.00 0.00 175.29 174.76 1jy0 h LYS 128 N 0.55 0.13 -0.60 2.91 1.79 -1.97 -3.33 116.57 116.04 1jy0 h LYS 128 Ca -0.46 -0.22 0.17 0.00 -2.18 0.00 0.00 60.65 57.96 1jy0 h LYS 128 Cb 1.19 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 1jy0 h LYS 128 CO 0.62 1.00 0.45 0.00 -1.08 0.00 0.00 179.45 180.45 1jy0 h ALA 129 N 0.76 2.52 -0.00 3.86 0.00 -1.94 -1.28 119.26 123.18 1jy0 h ALA 129 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jy0 h ALA 129 Cb 1.92 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1jy0 h ALA 129 CO 0.15 -0.76 -0.24 0.44 0.00 0.00 0.00 179.25 178.83 1jy0 n ILE 130 N -4.24 0.00 -2.98 0.00 -5.35 -1.25 -1.71 119.36 103.83 1jy0 n ILE 130 Ca 0.11 -0.03 -0.41 0.00 -0.27 0.00 0.00 62.75 62.15 1jy0 n ILE 130 Cb 0.69 -0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.53 1jy0 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jy0 s LEU 131 N -2.80 4.12 0.14 7.28 1.43 -0.48 -4.47 118.68 123.90 1jy0 s LEU 131 Ca 0.18 0.98 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 1jy0 s LEU 131 Cb 0.19 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1jy0 s LEU 131 CO 0.58 -0.40 -0.22 -0.36 0.23 0.00 0.00 176.35 176.17 1jy0 s PHE 132 N 2.37 2.00 -0.15 0.29 0.40 -0.39 -3.48 117.98 119.01 1jy0 s PHE 132 Ca 0.33 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1jy0 s PHE 132 Cb -0.16 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.35 1jy0 s PHE 132 CO 0.10 0.32 -0.14 -1.17 0.70 0.00 0.00 175.22 175.03 1jy0 s LEU 133 N -2.27 1.75 -0.12 -0.37 2.96 0.12 -0.27 118.68 120.48 1jy0 s LEU 133 Ca 0.13 -0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 53.22 1jy0 s LEU 133 Cb -0.09 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1jy0 s LEU 133 CO 0.06 -0.06 0.98 -2.16 -1.32 0.00 0.00 176.35 173.85 1jy0 s PRO 134 N 1.47 4.39 0.12 0.98 0.04 -1.26 -0.81 135.00 139.94 1jy0 s PRO 134 Ca 0.04 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.49 1jy0 s PRO 134 Cb -0.13 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1jy0 s PRO 134 CO -0.11 -0.34 -0.14 -0.51 0.04 0.00 0.00 177.00 175.95 1jy0 s LEU 135 N 2.10 2.87 0.66 -3.56 1.43 0.14 -4.90 118.68 117.43 1jy0 s LEU 135 Ca 0.46 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.90 1jy0 s LEU 135 Cb -0.18 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1jy0 s LEU 135 CO 0.16 0.17 1.18 -2.84 0.23 0.00 0.00 176.35 175.25 1jy0 s PRO 136 N -2.28 2.63 0.00 1.29 0.02 -1.26 0.09 135.00 135.49 1jy0 s PRO 136 Ca 0.20 1.69 0.29 0.00 0.02 0.00 0.00 61.00 63.21 1jy0 s PRO 136 Cb -0.10 -1.90 1.26 0.00 0.02 0.00 0.00 34.50 33.77 1jy0 s PRO 136 CO 0.12 -1.44 1.86 1.33 -0.33 0.00 0.00 177.00 178.55