#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p63 n PHE 1 N 0.00 1.46 -2.74 -1.40 7.35 -1.26 -5.01 117.46 115.85 1p63 n PHE 1 Ca 0.00 -1.87 -0.43 0.00 -0.76 0.00 0.00 57.45 54.39 1p63 n PHE 1 Cb 0.00 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.54 1p63 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1p63 s ASN 2 N -3.43 6.84 0.14 -2.13 0.01 -1.26 -5.02 114.94 110.09 1p63 s ASN 2 Ca 0.37 0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 53.42 1p63 s ASN 2 Cb 0.37 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 1p63 s ASN 2 CO -0.03 -0.79 0.34 -0.76 -1.51 0.00 0.00 177.10 174.34 1p63 s LEU 3 N 3.42 4.28 0.67 0.60 1.43 -1.26 -0.45 118.68 127.37 1p63 s LEU 3 Ca 0.41 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 1p63 s LEU 3 Cb -0.13 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1p63 s LEU 3 CO 0.14 0.05 1.05 -2.16 0.23 0.00 0.00 176.35 175.67 1p63 s PRO 4 N -2.86 3.18 -0.14 1.29 0.04 -1.26 -4.54 135.00 130.71 1p63 s PRO 4 Ca 0.39 0.77 0.05 0.00 0.04 0.00 0.00 61.00 62.25 1p63 s PRO 4 Cb -0.12 -2.03 0.37 0.00 0.04 0.00 0.00 34.50 32.76 1p63 s PRO 4 CO 0.27 -0.88 1.19 -0.35 0.04 0.00 0.00 177.00 177.27 1p63 n PRO 5 N -2.96 2.49 -3.35 0.56 -0.04 -1.26 -4.95 135.00 125.49 1p63 n PRO 5 Ca 0.07 -1.48 -0.22 0.00 -0.04 0.00 0.00 63.50 61.83 1p63 n PRO 5 Cb 0.54 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1p63 n PRO 5 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1p63 s GLY 6 N -0.29 1.99 0.39 0.55 0.00 -1.26 -5.13 107.32 103.57 1p63 s GLY 6 Ca 0.26 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 43.23 1p63 s GLY 6 CO 0.07 -1.76 0.04 0.54 0.00 0.00 0.00 173.10 171.99 1p63 s ASN 7 N -4.48 3.26 -0.12 1.64 2.20 -1.26 -5.04 114.94 111.14 1p63 s ASN 7 Ca 0.51 -1.42 0.17 0.00 -0.94 0.00 0.00 52.86 51.18 1p63 s ASN 7 Cb -0.05 -0.12 0.68 0.00 -2.00 0.00 0.00 41.25 39.76 1p63 s ASN 7 CO 0.32 -0.58 1.60 -1.22 -2.94 0.00 0.00 177.10 174.27 1p63 n TYR 8 N -0.89 1.41 -0.06 1.54 4.01 -1.26 -4.65 117.16 117.26 1p63 n TYR 8 Ca -0.05 -0.64 -0.07 0.00 -0.16 0.00 0.00 57.90 56.98 1p63 n TYR 8 Cb 0.67 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 1p63 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1p63 h LYS 9 N 3.73 0.01 -5.99 -0.72 1.57 -1.96 -3.44 116.57 109.77 1p63 h LYS 9 Ca 0.00 -0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1p63 h LYS 9 Cb 1.44 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.63 1p63 h LYS 9 CO 0.23 0.01 -0.64 0.15 -0.57 0.00 0.00 179.45 178.64 1p63 s LYS 10 N -6.20 1.99 0.79 3.15 1.02 -1.26 -5.11 119.74 114.13 1p63 s LYS 10 Ca -0.13 -1.82 -0.11 0.00 0.02 0.00 0.00 55.97 53.93 1p63 s LYS 10 Cb 0.11 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.64 1p63 s LYS 10 CO 0.69 0.13 1.09 -1.25 -0.92 0.00 0.00 175.35 175.09 1p63 s PRO 11 N -3.68 2.09 0.22 -1.68 0.04 -1.26 -4.72 135.00 126.01 1p63 s PRO 11 Ca 0.34 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 1p63 s PRO 11 Cb 0.01 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1p63 s PRO 11 CO 0.18 -1.72 0.13 0.15 0.04 0.00 0.00 177.00 175.78 1p63 s LYS 12 N -4.93 1.27 -0.13 4.56 -0.14 0.58 -4.00 119.74 116.94 1p63 s LYS 12 Ca 0.61 -1.68 -0.03 0.00 -1.36 0.00 0.00 55.97 53.52 1p63 s LYS 12 Cb -0.17 0.18 -0.03 0.00 -1.68 0.00 0.00 37.83 36.13 1p63 s LYS 12 CO 0.56 -0.39 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.22 1p63 s LEU 13 N -3.20 3.32 -0.72 3.17 1.43 0.22 -1.23 118.68 121.67 1p63 s LEU 13 Ca 0.39 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1p63 s LEU 13 Cb 0.07 -1.79 0.17 0.00 0.03 0.00 0.00 46.19 44.67 1p63 s LEU 13 CO 0.13 0.23 0.73 -0.76 0.23 0.00 0.00 176.35 176.91 1p63 s LEU 14 N 0.02 6.17 -0.21 1.79 1.43 -1.26 0.33 118.68 126.94 1p63 s LEU 14 Ca 0.01 -2.16 -0.27 0.00 -1.03 0.00 0.00 54.13 50.68 1p63 s LEU 14 Cb -0.13 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 1p63 s LEU 14 CO 0.02 -0.80 0.94 -0.47 0.23 0.00 0.00 176.35 176.27 1p63 s TYR 15 N 1.28 3.36 -0.26 0.29 5.04 -0.33 -1.57 117.35 125.16 1p63 s TYR 15 Ca 0.15 1.35 -0.17 0.00 -2.44 0.00 0.00 57.07 55.96 1p63 s TYR 15 Cb -0.17 -3.16 -0.03 0.00 0.35 0.00 0.00 41.96 38.95 1p63 s TYR 15 CO -0.03 -0.40 0.45 0.00 -1.34 0.00 0.00 175.55 174.23 1p63 h SER 17 N 8.04 0.00 0.44 0.00 4.64 -1.66 -0.20 113.55 124.82 1p63 h SER 17 Ca -0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1p63 h SER 17 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1p63 h SER 17 CO 0.69 0.00 -0.44 -1.13 -0.87 0.00 0.00 176.83 175.07 1p63 h ASN 18 N 0.00 -1.22 0.00 4.97 -1.24 -1.79 -3.35 115.58 112.96 1p63 h ASN 18 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1p63 h ASN 18 Cb 0.37 0.41 0.00 0.00 0.73 0.00 0.00 38.32 39.83 1p63 h ASN 18 CO 0.00 -0.60 0.00 0.61 -1.29 0.00 0.00 177.43 176.15 1p63 n GLY 19 N -1.53 -1.28 1.80 1.57 0.00 -1.24 -4.79 105.19 99.73 1p63 n GLY 19 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1p63 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p63 n GLY 20 N 0.02 0.52 3.91 -0.02 0.00 -0.10 -5.02 105.19 104.50 1p63 n GLY 20 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1p63 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p63 s HIS 21 N -2.00 3.48 -0.02 1.61 3.76 -1.12 -4.68 115.29 116.32 1p63 s HIS 21 Ca 0.00 0.50 -0.15 0.00 -0.15 0.00 0.00 55.06 55.27 1p63 s HIS 21 Cb 0.00 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 1p63 s HIS 21 CO 0.00 0.39 0.40 -0.06 -0.85 0.00 0.00 174.74 174.62 1p63 s PHE 22 N -1.76 3.70 0.16 1.40 0.08 0.65 -0.19 117.98 122.02 1p63 s PHE 22 Ca 0.41 0.95 -0.31 0.00 0.12 0.00 0.00 56.93 58.10 1p63 s PHE 22 Cb -0.12 -2.30 -0.09 0.00 -0.57 0.00 0.00 43.02 39.94 1p63 s PHE 22 CO 0.26 0.59 1.45 -1.17 -0.10 0.00 0.00 175.22 176.26 1p63 s LEU 23 N -0.87 4.38 -0.05 -0.37 2.96 -0.61 -1.30 118.68 122.82 1p63 s LEU 23 Ca 0.23 2.49 0.04 0.00 -0.22 0.00 0.00 54.13 56.67 1p63 s LEU 23 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1p63 s LEU 23 CO 0.12 -0.71 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.69 1p63 s ARG 24 N 0.74 1.76 -0.47 1.98 3.52 0.12 -4.52 118.95 122.08 1p63 s ARG 24 Ca 0.65 -0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 1p63 s ARG 24 Cb -0.40 -1.49 0.12 0.00 -1.56 0.00 0.00 34.95 31.62 1p63 s ARG 24 CO 0.34 0.16 0.27 0.42 -0.81 0.00 0.00 175.30 175.68 1p63 s ILE 25 N 0.25 3.41 0.55 4.11 1.01 -1.03 -1.75 121.20 127.75 1p63 s ILE 25 Ca -0.08 -2.32 -0.19 0.00 0.00 0.00 0.00 60.65 58.06 1p63 s ILE 25 Cb -0.13 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1p63 s ILE 25 CO 0.03 -0.75 1.12 -0.76 0.00 0.00 0.00 174.94 174.58 1p63 s LEU 26 N 0.79 3.72 0.51 2.97 1.43 0.26 -4.86 118.68 123.50 1p63 s LEU 26 Ca 0.11 2.14 0.29 0.00 -1.03 0.00 0.00 54.13 55.64 1p63 s LEU 26 Cb -0.22 -4.58 1.40 0.00 0.03 0.00 0.00 46.19 42.82 1p63 s LEU 26 CO -0.04 -1.23 1.88 -0.65 0.23 0.00 0.00 176.35 176.54 1p63 h PRO 27 N 1.10 0.08 -0.02 1.29 0.11 -1.98 0.14 132.00 132.72 1p63 h PRO 27 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p63 h PRO 27 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1p63 h PRO 27 CO 0.57 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1p63 n ASP 28 N -4.32 0.16 0.00 -2.05 5.75 -1.26 -4.83 116.55 110.00 1p63 n ASP 28 Ca 0.19 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1p63 n ASP 28 Cb 0.93 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1p63 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p63 n GLY 29 N 0.78 0.73 3.77 6.12 0.00 0.48 -4.95 105.19 112.12 1p63 n GLY 29 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1p63 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p63 s THR 30 N -2.36 2.91 -0.08 2.61 2.01 -1.24 -1.04 115.64 118.45 1p63 s THR 30 Ca 0.00 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1p63 s THR 30 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1p63 s THR 30 CO 0.00 0.01 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.16 1p63 s VAL 31 N -1.47 1.02 0.00 3.82 1.01 -1.26 -0.57 120.40 122.94 1p63 s VAL 31 Ca 0.64 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1p63 s VAL 31 Cb -0.31 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1p63 s VAL 31 CO 0.38 0.35 0.00 -0.90 0.00 0.00 0.00 175.10 174.93 1p63 n ASP 32 N 4.33 0.00 -4.23 3.32 5.75 -0.72 -4.48 116.55 120.52 1p63 n ASP 32 Ca -0.19 -0.14 -0.21 0.00 -0.01 0.00 0.00 54.79 54.24 1p63 n ASP 32 Cb 0.51 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 1p63 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1p63 s GLY 33 N -0.14 1.05 0.02 6.12 0.00 -0.05 0.10 107.32 114.42 1p63 s GLY 33 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.61 1p63 s GLY 33 CO 0.00 -1.13 -0.04 -1.08 0.00 0.00 0.00 173.10 170.85 1p63 s THR 34 N -1.20 0.21 -1.32 0.90 -1.32 -0.42 -4.79 115.64 107.70 1p63 s THR 34 Ca 0.02 -0.72 0.26 0.00 -1.21 0.00 0.00 61.69 60.04 1p63 s THR 34 Cb -0.10 -0.30 0.14 0.00 -1.51 0.00 0.00 72.50 70.74 1p63 s THR 34 CO 0.03 -0.33 1.53 0.54 -2.21 0.00 0.00 174.62 174.18 1p63 n ARG 35 N 1.96 0.35 -2.47 7.08 1.74 -1.26 -0.25 116.66 123.81 1p63 n ARG 35 Ca -0.21 -0.19 -0.41 0.00 -0.77 0.00 0.00 57.85 56.28 1p63 n ARG 35 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1p63 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1p63 s ASP 36 N -2.78 6.03 0.46 0.55 2.15 -1.26 -4.85 116.67 116.97 1p63 s ASP 36 Ca 0.17 -0.37 0.31 0.00 0.43 0.00 0.00 52.55 53.10 1p63 s ASP 36 Cb 0.18 -2.56 1.64 0.00 -0.30 0.00 0.00 42.92 41.89 1p63 s ASP 36 CO 0.61 -1.92 1.95 -0.09 -0.17 0.00 0.00 175.17 175.55 1p63 h ARG 37 N 10.80 0.00 -0.01 4.34 2.43 -2.00 -0.15 114.38 129.79 1p63 h ARG 37 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1p63 h ARG 37 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1p63 h ARG 37 CO 1.28 0.00 -0.12 -1.13 -1.51 0.00 0.00 179.97 178.49 1p63 n SER 38 N -2.61 1.10 -4.77 -3.80 3.41 -1.26 -4.92 113.62 100.78 1p63 n SER 38 Ca -0.02 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.07 1p63 n SER 38 Cb 0.08 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1p63 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p63 s ASP 39 N -2.26 6.36 0.00 4.04 -1.08 -0.07 -4.89 116.67 118.77 1p63 s ASP 39 Ca 0.32 3.01 0.29 0.00 -0.52 0.00 0.00 52.55 55.65 1p63 s ASP 39 Cb 0.20 -2.65 1.31 0.00 -1.46 0.00 0.00 42.92 40.32 1p63 s ASP 39 CO 0.43 -0.89 1.91 0.00 0.52 0.00 0.00 175.17 177.14 1p63 n GLN 40 N 1.14 0.84 -0.41 4.34 1.13 -1.26 -3.75 117.38 119.40 1p63 n GLN 40 Ca 0.04 -0.28 0.09 0.00 -1.94 0.00 0.00 57.00 54.91 1p63 n GLN 40 Cb 0.39 -1.49 0.25 0.00 0.11 0.00 0.00 30.24 29.49 1p63 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1p63 n HIS 41 N -0.84 0.86 0.65 1.08 8.25 -1.26 -4.47 115.22 119.49 1p63 n HIS 41 Ca 0.16 -0.89 0.08 0.00 -0.26 0.00 0.00 57.72 56.81 1p63 n HIS 41 Cb 0.26 -0.30 0.06 0.00 1.12 0.00 0.00 29.99 31.13 1p63 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1p63 n ILE 42 N -0.59 0.00 -2.98 1.59 -5.35 -1.25 -2.47 119.36 108.32 1p63 n ILE 42 Ca 0.21 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.77 1p63 n ILE 42 Cb 0.87 1.32 -0.05 0.00 -1.74 0.00 0.00 39.64 40.04 1p63 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1p63 s GLN 43 N -1.30 3.85 -0.00 6.28 1.11 -1.26 -4.48 119.66 123.85 1p63 s GLN 43 Ca 0.18 0.41 0.07 0.00 0.01 0.00 0.00 55.36 56.03 1p63 s GLN 43 Cb 0.13 -3.77 -0.03 0.00 -1.01 0.00 0.00 33.01 28.34 1p63 s GLN 43 CO 0.20 -0.75 -0.22 -0.51 0.01 0.00 0.00 175.29 174.02 1p63 s LEU 44 N 2.97 2.34 -0.27 2.90 1.43 -0.36 -0.95 118.68 126.74 1p63 s LEU 44 Ca 0.31 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1p63 s LEU 44 Cb -0.14 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1p63 s LEU 44 CO 0.14 0.30 0.07 -1.58 0.23 0.00 0.00 176.35 175.52 1p63 s GLN 45 N -0.91 3.34 0.28 1.70 2.00 0.22 -0.31 119.66 125.99 1p63 s GLN 45 Ca 0.12 -0.69 -0.05 0.00 -2.00 0.00 0.00 55.36 52.73 1p63 s GLN 45 Cb -0.10 -3.33 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 1p63 s GLN 45 CO 0.01 -0.33 0.55 -0.51 -0.50 0.00 0.00 175.29 174.52 1p63 s LEU 46 N 1.55 4.07 -0.11 3.68 1.02 -1.26 -1.42 118.68 126.21 1p63 s LEU 46 Ca 0.04 0.73 -0.18 0.00 0.02 0.00 0.00 54.13 54.75 1p63 s LEU 46 Cb -0.16 -3.54 0.04 0.00 0.02 0.00 0.00 46.19 42.55 1p63 s LEU 46 CO 0.03 -0.18 0.45 -0.94 0.02 0.00 0.00 176.35 175.73 1p63 s SER 47 N -3.07 -0.42 -0.11 2.29 1.04 -0.68 -4.79 113.70 107.96 1p63 s SER 47 Ca 0.44 0.65 -0.19 0.00 0.48 0.00 0.00 55.95 57.34 1p63 s SER 47 Cb -0.11 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1p63 s SER 47 CO 0.29 -0.31 0.50 0.00 0.98 0.00 0.00 173.24 174.70 1p63 s ALA 48 N -0.44 3.46 0.00 5.32 0.00 -1.26 -0.82 121.76 128.02 1p63 s ALA 48 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1p63 s ALA 48 Cb -0.03 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1p63 s ALA 48 CO 0.03 -0.02 0.00 0.39 0.00 0.00 0.00 175.76 176.16 1p63 n GLU 49 N 3.70 0.00 -3.32 0.00 -0.58 0.11 -4.97 120.64 115.58 1p63 n GLU 49 Ca -0.06 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.48 1p63 n GLU 49 Cb 0.52 -0.33 -0.01 0.00 -0.57 0.00 0.00 31.44 31.05 1p63 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1p63 s SER 50 N -1.00 5.27 0.16 1.62 0.01 -1.24 -4.97 113.70 113.55 1p63 s SER 50 Ca 0.00 -0.66 -0.32 0.00 1.31 0.00 0.00 55.95 56.29 1p63 s SER 50 Cb 0.00 -0.47 -0.11 0.00 0.21 0.00 0.00 66.02 65.64 1p63 s SER 50 CO 0.00 -0.78 1.77 0.52 0.41 0.00 0.00 173.24 175.16 1p63 n VAL 51 N -1.74 0.18 -0.43 3.43 0.31 -1.26 -1.25 118.33 117.57 1p63 n VAL 51 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1p63 n VAL 51 Cb 0.61 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1p63 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p63 n GLY 52 N 4.08 1.61 3.40 2.92 0.00 -1.26 -5.02 105.19 110.92 1p63 n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1p63 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p63 s GLU 53 N -0.19 3.52 0.24 1.61 2.02 -0.38 -0.82 118.70 124.69 1p63 s GLU 53 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.46 1p63 s GLU 53 Cb 0.00 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1p63 s GLU 53 CO 0.00 0.02 -0.04 0.14 0.02 0.00 0.00 175.26 175.40 1p63 s VAL 54 N 0.93 1.31 0.02 2.63 -7.23 0.39 0.06 120.40 118.51 1p63 s VAL 54 Ca -0.00 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1p63 s VAL 54 Cb -0.15 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1p63 s VAL 54 CO 0.01 -0.39 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.09 1p63 s TYR 55 N -3.24 3.01 -0.23 2.82 2.02 0.00 -1.61 117.35 120.12 1p63 s TYR 55 Ca 0.27 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1p63 s TYR 55 Cb 0.04 -1.62 0.06 0.00 -0.40 0.00 0.00 41.96 40.04 1p63 s TYR 55 CO 0.09 0.45 -0.04 0.42 -1.57 0.00 0.00 175.55 174.89 1p63 s ILE 56 N -1.12 1.43 -0.02 2.71 1.01 -1.26 -1.69 121.20 122.26 1p63 s ILE 56 Ca 0.21 -1.18 0.07 0.00 0.00 0.00 0.00 60.65 59.75 1p63 s ILE 56 Cb -0.11 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1p63 s ILE 56 CO 0.12 -0.13 -0.24 -0.75 0.00 0.00 0.00 174.94 173.94 1p63 s LYS 57 N 1.44 1.97 -0.02 2.79 2.20 -0.51 0.19 119.74 127.80 1p63 s LYS 57 Ca -0.05 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.41 1p63 s LYS 57 Cb -0.19 -1.88 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 1p63 s LYS 57 CO -0.07 0.50 1.31 0.45 -0.36 0.00 0.00 175.35 177.18 1p63 s SER 58 N -0.53 6.94 0.29 1.43 0.15 0.36 0.72 113.70 123.07 1p63 s SER 58 Ca 0.08 1.99 0.14 0.00 0.70 0.00 0.00 55.95 58.86 1p63 s SER 58 Cb -0.09 -2.56 0.35 0.00 -1.71 0.00 0.00 66.02 62.00 1p63 s SER 58 CO -0.01 -0.65 1.58 0.71 1.20 0.00 0.00 173.24 176.07 1p63 h THR 59 N 4.94 1.12 -0.13 6.45 1.35 -1.38 0.74 112.91 126.00 1p63 h THR 59 Ca -0.36 -2.08 -0.22 0.00 -0.55 0.00 0.00 66.41 63.19 1p63 h THR 59 Cb 1.17 2.22 0.01 0.00 -1.73 0.00 0.00 68.15 69.82 1p63 h THR 59 CO 0.89 0.54 -0.80 -0.08 -0.25 0.00 0.00 175.52 175.82 1p63 h GLU 60 N 0.00 0.76 0.00 4.72 4.57 -1.81 -3.38 114.58 119.45 1p63 h GLU 60 Ca -0.01 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.52 1p63 h GLU 60 Cb 1.18 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1p63 h GLU 60 CO 0.07 1.26 -0.50 0.25 -1.18 0.00 0.00 179.01 178.90 1p63 n THR 61 N -3.95 0.00 -0.53 0.32 -2.24 -1.22 -5.00 114.28 101.66 1p63 n THR 61 Ca -0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1p63 n THR 61 Cb 0.76 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1p63 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p63 n GLY 62 N 1.40 1.40 3.77 3.38 0.00 0.25 -5.02 105.19 110.37 1p63 n GLY 62 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1p63 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p63 s GLN 63 N -0.20 3.89 -0.13 1.61 -0.21 -1.25 -4.69 119.66 118.68 1p63 s GLN 63 Ca 0.00 1.82 -0.07 0.00 0.02 0.00 0.00 55.36 57.12 1p63 s GLN 63 Cb 0.00 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 1p63 s GLN 63 CO 0.00 -0.45 0.13 0.71 -2.12 0.00 0.00 175.29 173.56 1p63 s TYR 64 N -1.48 3.54 0.24 0.91 1.51 0.61 -0.49 117.35 122.20 1p63 s TYR 64 Ca 0.60 0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 56.84 1p63 s TYR 64 Cb -0.30 -1.98 -0.10 0.00 -0.11 0.00 0.00 41.96 39.48 1p63 s TYR 64 CO 0.37 0.64 1.36 -1.17 -1.11 0.00 0.00 175.55 175.63 1p63 s LEU 65 N -0.74 4.41 0.06 -1.29 2.96 0.13 -0.24 118.68 123.97 1p63 s LEU 65 Ca 0.13 2.55 -0.11 0.00 -0.22 0.00 0.00 54.13 56.48 1p63 s LEU 65 Cb -0.12 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1p63 s LEU 65 CO 0.03 -0.59 0.25 0.00 -1.32 0.00 0.00 176.35 174.72 1p63 s ALA 66 N -0.17 -0.49 -0.15 5.97 0.00 -0.03 -4.42 121.76 122.48 1p63 s ALA 66 Ca 0.56 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1p63 s ALA 66 Cb -0.39 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1p63 s ALA 66 CO 0.43 -0.44 -0.20 1.41 0.00 0.00 0.00 175.76 176.96 1p63 s MET 67 N -3.01 2.83 1.02 0.00 1.75 -0.85 0.34 119.30 121.39 1p63 s MET 67 Ca -0.02 -0.78 -0.17 0.00 -1.25 0.00 0.00 55.69 53.47 1p63 s MET 67 Cb 0.01 -2.37 0.22 0.00 2.84 0.00 0.00 34.83 35.53 1p63 s MET 67 CO -0.06 -0.10 1.29 0.16 -0.65 0.00 0.00 175.02 175.65 1p63 s ASP 68 N 1.05 2.58 0.58 1.11 1.47 0.05 -4.79 116.67 118.73 1p63 s ASP 68 Ca -0.02 0.30 0.28 0.00 1.18 0.00 0.00 52.55 54.29 1p63 s ASP 68 Cb -0.14 -0.35 1.59 0.00 -0.34 0.00 0.00 42.92 43.68 1p63 s ASP 68 CO -0.06 -3.07 2.06 0.00 0.68 0.00 0.00 175.17 174.79 1p63 h THR 69 N -1.87 0.50 -0.64 2.11 1.03 -2.01 -0.58 112.91 111.46 1p63 h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1p63 h THR 69 Cb 1.24 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1p63 h THR 69 CO 0.35 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.33 1p63 n ASP 70 N -3.87 4.15 0.00 0.00 8.00 -1.26 -4.95 116.55 118.62 1p63 n ASP 70 Ca 0.03 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.32 1p63 n ASP 70 Cb 0.39 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1p63 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p63 n GLY 71 N 1.22 0.56 3.76 0.44 0.00 -0.23 -4.67 105.19 106.27 1p63 n GLY 71 Ca 0.23 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1p63 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p63 s LEU 72 N 0.00 4.36 0.25 0.99 1.43 -1.26 -1.01 118.68 123.43 1p63 s LEU 72 Ca 0.00 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 1p63 s LEU 72 Cb 0.00 -2.73 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 1p63 s LEU 72 CO 0.00 0.10 1.04 -0.76 0.23 0.00 0.00 176.35 176.95 1p63 s LEU 73 N 0.04 4.58 0.16 1.79 1.43 -1.26 -0.77 118.68 124.65 1p63 s LEU 73 Ca 0.27 2.12 -0.08 0.00 -1.03 0.00 0.00 54.13 55.41 1p63 s LEU 73 Cb -0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1p63 s LEU 73 CO 0.13 -0.03 0.25 -0.72 0.23 0.00 0.00 176.35 176.20 1p63 s TYR 74 N -1.04 0.47 -0.31 0.29 1.13 0.15 -4.44 117.35 113.60 1p63 s TYR 74 Ca 0.44 -0.84 -0.15 0.00 -1.41 0.00 0.00 57.07 55.11 1p63 s TYR 74 Cb -0.29 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.42 1p63 s TYR 74 CO 0.37 -0.69 0.36 0.20 -2.51 0.00 0.00 175.55 173.28 1p63 s GLY 75 N -2.98 1.89 -0.15 5.49 0.00 -0.20 -0.85 107.32 110.52 1p63 s GLY 75 Ca 0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 1p63 s GLY 75 CO 0.00 0.99 0.15 -0.45 0.00 0.00 0.00 173.10 173.79 1p63 s SER 76 N 1.71 6.33 0.31 1.64 0.15 0.66 -4.71 113.70 119.80 1p63 s SER 76 Ca 0.13 0.39 0.12 0.00 0.70 0.00 0.00 55.95 57.29 1p63 s SER 76 Cb -0.16 -2.09 0.51 0.00 -1.71 0.00 0.00 66.02 62.56 1p63 s SER 76 CO 0.11 0.30 1.69 1.56 1.20 0.00 0.00 173.24 178.11 1p63 h GLN 77 N 5.73 0.00 -5.57 5.44 1.08 -1.91 0.17 115.11 120.06 1p63 h GLN 77 Ca -0.49 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.27 1p63 h GLN 77 Cb 1.19 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.44 1p63 h GLN 77 CO 0.66 0.52 -0.77 0.95 -0.95 0.00 0.00 178.83 179.24 1p63 s THR 78 N -3.81 1.45 0.06 -0.54 -4.23 -1.26 -4.81 115.64 102.51 1p63 s THR 78 Ca -0.02 -1.75 -0.30 0.00 -1.18 0.00 0.00 61.69 58.44 1p63 s THR 78 Cb 0.13 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 1p63 s THR 78 CO 0.74 -0.37 1.11 -2.16 -0.54 0.00 0.00 174.62 173.40 1p63 s PRO 79 N -2.65 4.50 0.29 3.99 0.04 -1.26 -4.87 135.00 135.04 1p63 s PRO 79 Ca 0.10 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1p63 s PRO 79 Cb -0.05 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1p63 s PRO 79 CO 0.04 -0.13 0.29 0.27 0.04 0.00 0.00 177.00 177.51 1p63 n ASN 80 N 3.63 -0.77 0.31 6.66 0.23 -1.26 -5.03 115.26 119.04 1p63 n ASN 80 Ca 0.07 -2.79 0.18 0.00 -0.53 0.00 0.00 54.58 51.51 1p63 n ASN 80 Cb 0.48 1.65 1.04 0.00 -2.08 0.00 0.00 39.78 40.86 1p63 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1p63 h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 0.06 114.58 112.92 1p63 h GLU 81 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1p63 h GLU 81 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1p63 h GLU 81 CO 0.30 0.00 -0.03 0.39 0.07 0.00 0.00 179.01 179.74 1p63 n GLU 82 N -3.55 0.44 0.00 1.06 1.02 -1.26 -3.58 120.64 114.77 1p63 n GLU 82 Ca -0.03 -0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1p63 n GLU 82 Cb 0.08 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.19 1p63 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p63 s LEU 84 N -2.84 4.42 0.04 0.00 1.43 -1.23 -4.47 118.68 116.02 1p63 s LEU 84 Ca 0.14 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 1p63 s LEU 84 Cb 0.18 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1p63 s LEU 84 CO 0.68 0.10 -0.17 -0.36 0.23 0.00 0.00 176.35 176.83 1p63 s PHE 85 N -0.19 1.50 -0.41 0.29 0.08 -0.64 -1.28 117.98 117.33 1p63 s PHE 85 Ca 0.31 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.77 1p63 s PHE 85 Cb -0.18 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 1p63 s PHE 85 CO 0.17 0.06 0.74 -0.51 -0.10 0.00 0.00 175.22 175.59 1p63 s LEU 86 N -1.16 4.25 -0.21 -0.37 1.43 0.19 -0.46 118.68 122.36 1p63 s LEU 86 Ca 0.04 0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.94 1p63 s LEU 86 Cb -0.08 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 1p63 s LEU 86 CO 0.02 -0.80 0.69 -0.70 0.23 0.00 0.00 176.35 175.78 1p63 s GLU 87 N 3.10 4.21 0.08 1.70 2.12 -0.00 -1.69 118.70 128.21 1p63 s GLU 87 Ca 0.28 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.35 1p63 s GLU 87 Cb -0.13 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1p63 s GLU 87 CO 0.20 -0.32 -0.07 1.03 -0.54 0.00 0.00 175.26 175.56 1p63 s ARG 88 N 2.17 0.76 0.44 4.30 1.81 -0.57 -4.69 118.95 123.17 1p63 s ARG 88 Ca 0.31 -1.19 -0.21 0.00 -1.72 0.00 0.00 55.73 52.91 1p63 s ARG 88 Cb -0.16 -0.23 -0.10 0.00 -0.45 0.00 0.00 34.95 34.01 1p63 s ARG 88 CO 0.10 0.00 0.97 -1.17 -0.68 0.00 0.00 175.30 174.52 1p63 s LEU 89 N -2.68 3.94 -0.03 2.53 2.96 0.41 -0.97 118.68 124.84 1p63 s LEU 89 Ca 0.06 1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 55.71 1p63 s LEU 89 Cb 0.01 -4.51 0.01 0.00 0.50 0.00 0.00 46.19 42.20 1p63 s LEU 89 CO -0.03 -0.45 0.07 -0.70 -1.32 0.00 0.00 176.35 173.92 1p63 s GLU 90 N -3.12 0.07 -1.27 1.98 2.56 0.63 -4.84 118.70 114.71 1p63 s GLU 90 Ca 0.63 0.11 -0.05 0.00 0.00 0.00 0.00 54.97 55.66 1p63 s GLU 90 Cb -0.12 0.01 0.03 0.00 2.00 0.00 0.00 34.13 36.06 1p63 s GLU 90 CO 0.15 -0.03 0.33 0.39 -0.56 0.00 0.00 175.26 175.54 1p63 n GLU 91 N 3.18 -3.22 -2.02 4.30 1.02 -1.26 -0.53 120.64 122.10 1p63 n GLU 91 Ca -0.14 0.62 -0.17 0.00 -0.02 0.00 0.00 57.16 57.45 1p63 n GLU 91 Cb 0.59 -5.32 -0.04 0.00 -0.02 0.00 0.00 31.44 26.65 1p63 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1p63 n ASN 92 N -2.16 -4.71 0.00 1.62 4.13 -1.26 -4.62 115.26 108.26 1p63 n ASN 92 Ca -0.09 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1p63 n ASN 92 Cb 0.59 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 1p63 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1p63 n HIS 93 N -3.02 -1.52 -2.45 3.10 -0.00 -0.15 -5.16 115.22 106.03 1p63 n HIS 93 Ca -0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.30 1p63 n HIS 93 Cb 0.61 0.49 0.08 0.00 -0.00 0.00 0.00 29.99 31.16 1p63 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1p63 s TYR 94 N -1.97 2.40 -0.09 1.57 2.02 0.31 -4.82 117.35 116.76 1p63 s TYR 94 Ca 0.00 0.06 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 1p63 s TYR 94 Cb 0.00 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 1p63 s TYR 94 CO 0.00 -1.41 -0.05 -0.80 -1.57 0.00 0.00 175.55 171.72 1p63 s ASN 95 N -4.58 4.81 0.13 2.29 -0.87 0.36 -0.27 114.94 116.80 1p63 s ASN 95 Ca 0.62 -0.01 0.08 0.00 -1.57 0.00 0.00 52.86 51.98 1p63 s ASN 95 Cb -0.08 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.25 39.73 1p63 s ASN 95 CO 0.43 0.32 -0.19 0.42 -2.57 0.00 0.00 177.10 175.51 1p63 s THR 96 N -0.56 1.71 -0.18 1.60 -4.23 -0.15 -0.67 115.64 113.16 1p63 s THR 96 Ca 0.09 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1p63 s THR 96 Cb -0.12 -1.66 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1p63 s THR 96 CO 0.02 -0.19 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.57 1p63 s TYR 97 N -1.59 1.60 -0.16 3.99 1.51 -1.26 -1.52 117.35 119.92 1p63 s TYR 97 Ca 0.10 -1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 55.00 1p63 s TYR 97 Cb -0.08 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1p63 s TYR 97 CO 0.05 -0.62 0.09 0.42 -1.11 0.00 0.00 175.55 174.38 1p63 s ILE 98 N 1.67 5.06 0.02 2.71 1.01 -0.68 -0.86 121.20 130.13 1p63 s ILE 98 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1p63 s ILE 98 Cb -0.16 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 1p63 s ILE 98 CO -0.07 0.50 1.97 -0.24 0.00 0.00 0.00 174.94 177.10 1p63 n SER 99 N 3.05 4.08 -0.11 3.58 2.88 -0.22 0.55 113.62 127.44 1p63 n SER 99 Ca -0.17 0.89 -0.10 0.00 -1.33 0.00 0.00 58.87 58.16 1p63 n SER 99 Cb 0.53 -1.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.46 1p63 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p63 h LYS 100 N 10.56 0.50 -0.60 -1.46 3.64 -1.51 0.13 116.57 127.83 1p63 h LYS 100 Ca -0.50 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 58.83 1p63 h LYS 100 Cb 1.24 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1p63 h LYS 100 CO 0.94 0.53 0.40 -0.22 -2.27 0.00 0.00 179.45 178.83 1p63 h LYS 101 N 0.38 0.62 -0.32 1.90 3.64 -1.77 -2.49 116.57 118.53 1p63 h LYS 101 Ca 0.11 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1p63 h LYS 101 Cb 0.23 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.82 1p63 h LYS 101 CO -0.01 0.41 -0.06 0.72 -2.27 0.00 0.00 179.45 178.24 1p63 n HIS 102 N -4.47 1.02 -0.24 1.91 8.25 -1.08 -4.77 115.22 115.85 1p63 n HIS 102 Ca 0.08 -1.45 0.01 0.00 -0.26 0.00 0.00 57.72 56.09 1p63 n HIS 102 Cb 0.19 -0.45 0.13 0.00 1.12 0.00 0.00 29.99 30.98 1p63 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p63 h ALA 103 N 1.11 0.94 -0.64 -1.41 0.00 -0.26 -1.34 119.26 117.65 1p63 h ALA 103 Ca 0.18 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.31 1p63 h ALA 103 Cb 1.60 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1p63 h ALA 103 CO 0.35 -0.07 0.45 1.49 0.00 0.00 0.00 179.25 181.47 1p63 h GLU 104 N 0.57 0.10 -0.01 0.00 4.81 -1.86 0.15 114.58 118.34 1p63 h GLU 104 Ca 0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1p63 h GLU 104 Cb 0.36 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1p63 h GLU 104 CO -0.27 0.07 -0.10 1.63 -0.73 0.00 0.00 179.01 179.61 1p63 n LYS 105 N -4.39 1.39 -3.49 1.92 5.02 -0.52 -4.97 118.16 113.12 1p63 n LYS 105 Ca 0.12 -0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 55.39 1p63 n LYS 105 Cb 0.64 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 34.24 1p63 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1p63 n ASN 106 N -0.07 -2.64 -4.64 4.39 4.13 0.04 -4.96 115.26 111.51 1p63 n ASN 106 Ca 0.16 -0.71 -0.39 0.00 1.68 0.00 0.00 54.58 55.32 1p63 n ASN 106 Cb 0.37 -4.75 -0.08 0.00 -1.54 0.00 0.00 39.78 33.77 1p63 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1p63 s TRP 107 N -3.46 3.31 0.28 3.10 0.52 -1.24 -4.50 118.94 116.95 1p63 s TRP 107 Ca 0.09 0.53 0.10 0.00 0.02 0.00 0.00 56.10 56.85 1p63 s TRP 107 Cb -0.02 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.70 1p63 s TRP 107 CO 0.76 -0.12 -0.04 -0.06 0.02 0.00 0.00 176.95 177.51 1p63 s PHE 108 N 1.71 2.58 0.07 -1.98 0.40 -1.26 -1.06 117.98 118.44 1p63 s PHE 108 Ca 0.18 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 55.92 1p63 s PHE 108 Cb -0.15 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 1p63 s PHE 108 CO 0.09 0.61 1.01 0.08 0.70 0.00 0.00 175.22 177.71 1p63 s VAL 109 N -2.40 4.54 0.06 -0.44 1.01 -0.04 -4.63 120.40 118.51 1p63 s VAL 109 Ca 0.32 1.96 -0.23 0.00 0.00 0.00 0.00 61.98 64.03 1p63 s VAL 109 Cb -0.05 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.13 1p63 s VAL 109 CO 0.19 0.23 0.56 -0.83 0.00 0.00 0.00 175.10 175.24 1p63 s GLY 110 N 0.50 -0.49 -0.08 4.51 0.00 -1.26 -4.44 107.32 106.07 1p63 s GLY 110 Ca 0.50 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.88 1p63 s GLY 110 CO 0.30 0.33 -0.09 -0.42 0.00 0.00 0.00 173.10 173.21 1p63 s ILE 111 N -2.65 0.98 0.77 0.90 1.01 -0.15 -1.19 121.20 120.87 1p63 s ILE 111 Ca -0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1p63 s ILE 111 Cb -0.00 -0.94 0.05 0.00 0.01 0.00 0.00 42.46 41.58 1p63 s ILE 111 CO -0.03 0.33 1.08 -0.54 0.00 0.00 0.00 174.94 175.78 1p63 s LYS 112 N 1.05 2.32 0.61 2.79 1.02 0.24 -4.53 119.74 123.24 1p63 s LYS 112 Ca -0.08 0.91 0.30 0.00 0.02 0.00 0.00 55.97 57.13 1p63 s LYS 112 Cb -0.14 -1.92 1.70 0.00 -0.52 0.00 0.00 37.83 36.94 1p63 s LYS 112 CO -0.01 -1.53 2.06 0.87 -0.92 0.00 0.00 175.35 175.83 1p63 h LYS 113 N -1.03 0.00 -0.14 1.68 1.57 -1.87 0.92 116.57 117.70 1p63 h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1p63 h LYS 113 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1p63 h LYS 113 CO 0.56 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.71 1p63 n ASN 114 N -3.56 1.36 0.00 0.86 0.23 -1.26 -4.73 115.26 108.15 1p63 n ASN 114 Ca 0.02 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1p63 n ASN 114 Cb 0.37 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1p63 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1p63 n GLY 115 N 1.06 0.97 3.85 4.83 0.00 0.32 -5.03 105.19 111.19 1p63 n GLY 115 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1p63 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p63 s SER 116 N -2.99 6.69 0.61 1.61 1.04 -1.26 -0.87 113.70 118.53 1p63 s SER 116 Ca 0.00 0.83 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 1p63 s SER 116 Cb 0.00 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 1p63 s SER 116 CO 0.00 0.30 1.09 0.00 0.98 0.00 0.00 173.24 175.61 1p63 s LYS 118 N -3.88 3.93 0.07 0.00 1.02 -0.33 -4.80 119.74 115.76 1p63 s LYS 118 Ca 0.67 0.59 -0.20 0.00 0.02 0.00 0.00 55.97 57.05 1p63 s LYS 118 Cb -0.20 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.61 1p63 s LYS 118 CO 0.36 0.13 0.59 0.50 -0.92 0.00 0.00 175.35 176.01 1p63 s ARG 119 N -3.16 4.25 0.08 1.68 3.52 -1.26 -4.66 118.95 119.40 1p63 s ARG 119 Ca 0.53 0.77 -0.16 0.00 -0.13 0.00 0.00 55.73 56.74 1p63 s ARG 119 Cb -0.10 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1p63 s ARG 119 CO 0.21 0.60 1.02 0.41 -0.81 0.00 0.00 175.30 176.74 1p63 n GLY 120 N 1.79 -2.03 0.34 8.12 0.00 -0.18 -0.18 105.19 113.05 1p63 n GLY 120 Ca -0.10 0.75 0.18 0.00 0.00 0.00 0.00 46.02 46.86 1p63 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1p63 h PRO 121 N 0.00 0.00 -0.00 1.61 0.11 -1.88 0.20 132.00 132.04 1p63 h PRO 121 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1p63 h PRO 121 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1p63 h PRO 121 CO -0.50 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 177.68 1p63 n ARG 122 N -3.40 0.68 -3.59 1.05 5.12 0.75 -4.87 116.66 112.39 1p63 n ARG 122 Ca -0.00 -0.27 -0.22 0.00 -1.93 0.00 0.00 57.85 55.42 1p63 n ARG 122 Cb 0.30 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.09 1p63 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1p63 s THR 123 N -2.51 4.97 -0.09 0.55 -4.23 0.06 -4.94 115.64 109.44 1p63 s THR 123 Ca 0.27 -0.73 -0.31 0.00 -1.18 0.00 0.00 61.69 59.73 1p63 s THR 123 Cb 0.20 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 70.38 1p63 s THR 123 CO 0.49 -0.41 1.02 -1.38 -0.54 0.00 0.00 174.62 173.81 1p63 s HIS 124 N -2.19 -0.26 0.22 3.99 -3.43 -1.26 -4.82 115.29 107.54 1p63 s HIS 124 Ca 0.39 0.20 -0.32 0.00 -0.80 0.00 0.00 55.06 54.53 1p63 s HIS 124 Cb -0.09 0.52 -0.14 0.00 -1.43 0.00 0.00 32.58 31.44 1p63 s HIS 124 CO 0.33 -0.39 1.43 0.66 -2.00 0.00 0.00 174.74 174.76 1p63 n TYR 125 N -0.08 2.15 0.00 0.38 4.01 -1.26 -2.01 117.16 120.34 1p63 n TYR 125 Ca -0.05 0.41 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1p63 n TYR 125 Cb 0.60 -2.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 1p63 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p63 n GLY 126 N 2.37 0.94 3.87 2.72 0.00 -1.26 -5.08 105.19 108.76 1p63 n GLY 126 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1p63 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p63 s GLN 127 N -0.81 3.71 0.07 1.61 -0.21 -0.85 -4.99 119.66 118.18 1p63 s GLN 127 Ca 0.00 0.65 0.04 0.00 0.02 0.00 0.00 55.36 56.07 1p63 s GLN 127 Cb 0.00 -2.20 -0.24 0.00 1.00 0.00 0.00 33.01 31.57 1p63 s GLN 127 CO 0.00 -0.33 1.09 0.87 -2.12 0.00 0.00 175.29 174.80 1p63 h LYS 128 N 0.38 0.09 0.00 2.91 1.79 -1.98 -3.34 116.57 116.42 1p63 h LYS 128 Ca -0.46 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 57.86 1p63 h LYS 128 Cb 1.19 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1p63 h LYS 128 CO 0.62 0.97 -0.00 0.00 -1.08 0.00 0.00 179.45 179.96 1p63 h ALA 129 N 0.85 1.31 -0.01 3.86 0.00 -1.94 -2.29 119.26 121.04 1p63 h ALA 129 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1p63 h ALA 129 Cb 1.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1p63 h ALA 129 CO 0.14 0.00 -0.28 0.44 0.00 0.00 0.00 179.25 179.55 1p63 n ILE 130 N -3.54 0.00 -3.00 0.00 -5.35 -1.25 -0.98 119.36 105.24 1p63 n ILE 130 Ca -0.03 -0.14 -0.41 0.00 -0.27 0.00 0.00 62.75 61.89 1p63 n ILE 130 Cb 0.08 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 38.43 1p63 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1p63 s LEU 131 N -2.50 4.07 0.22 7.28 1.43 -0.86 -4.43 118.68 123.89 1p63 s LEU 131 Ca 0.24 0.87 0.10 0.00 -1.03 0.00 0.00 54.13 54.31 1p63 s LEU 131 Cb 0.19 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1p63 s LEU 131 CO 0.53 -0.45 -0.20 -0.36 0.23 0.00 0.00 176.35 176.10 1p63 s PHE 132 N 2.68 2.09 -0.11 0.29 0.40 0.15 -1.98 117.98 121.51 1p63 s PHE 132 Ca 0.31 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1p63 s PHE 132 Cb -0.15 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.42 1p63 s PHE 132 CO 0.08 0.52 -0.09 -0.51 0.70 0.00 0.00 175.22 175.92 1p63 s LEU 133 N -3.06 1.27 -0.27 -0.37 1.43 0.23 -0.49 118.68 117.42 1p63 s LEU 133 Ca 0.23 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 1p63 s LEU 133 Cb -0.05 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1p63 s LEU 133 CO 0.10 -0.10 1.03 -2.16 0.23 0.00 0.00 176.35 175.45 1p63 s PRO 134 N 1.58 4.17 0.06 1.29 0.04 -1.26 -1.19 135.00 139.70 1p63 s PRO 134 Ca 0.03 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.29 1p63 s PRO 134 Cb -0.13 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1p63 s PRO 134 CO -0.07 -0.72 0.06 -0.51 0.04 0.00 0.00 177.00 175.79 1p63 s LEU 135 N 3.33 3.73 0.75 -3.56 1.43 0.15 -4.87 118.68 119.64 1p63 s LEU 135 Ca 0.43 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1p63 s LEU 135 Cb -0.14 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.76 1p63 s LEU 135 CO 0.10 0.19 1.15 -2.84 0.23 0.00 0.00 176.35 175.18 1p63 s PRO 136 N -2.22 2.17 0.00 1.29 0.02 -1.26 0.69 135.00 135.68 1p63 s PRO 136 Ca 0.27 1.52 0.29 0.00 0.02 0.00 0.00 61.00 63.10 1p63 s PRO 136 Cb -0.12 -1.86 1.32 0.00 0.02 0.00 0.00 34.50 33.86 1p63 s PRO 136 CO 0.19 -1.76 1.90 1.33 -0.33 0.00 0.00 177.00 178.33