#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 1.01 -2.71 -1.40 7.35 -1.26 -5.01 117.46 115.44 1p63 n PHE 1 Ca 0.00 -1.59 -0.43 0.00 -0.76 0.00 0.00 57.45 54.67 1p63 n PHE 1 Cb 0.00 -0.24 -0.03 0.00 0.35 0.00 0.00 39.48 39.56 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 -3.17 6.83 0.04 -2.13 -0.87 -1.26 -5.03 114.94 109.35 1p63 s ASN 2 Ca 0.38 0.87 -0.00 0.00 -1.57 0.00 0.00 52.86 52.54 1p63 s ASN 2 Cb 0.37 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 39.05 1p63 s ASN 2 CO -0.06 -0.87 0.15 -0.76 -2.57 0.00 0.00 177.10 173.00 1p63 s LEU 3 N 3.58 4.16 0.71 0.60 1.43 -1.26 -0.88 118.68 127.01 1p63 s LEU 3 Ca 0.42 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 1p63 s LEU 3 Cb -0.12 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.46 1p63 s LEU 3 CO 0.17 0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.87 1p63 s PRO 4 N -2.21 2.79 0.09 1.29 0.04 -1.26 -4.63 135.00 131.11 1p63 s PRO 4 Ca 0.30 1.04 0.28 0.00 0.04 0.00 0.00 61.00 62.65 1p63 s PRO 4 Cb -0.13 -1.97 1.06 0.00 0.04 0.00 0.00 34.50 33.51 1p63 s PRO 4 CO 0.22 -1.22 1.86 -0.35 0.04 0.00 0.00 177.00 177.56 1p63 n PRO 5 N -3.12 0.11 -0.44 0.56 -0.04 -1.26 -4.93 135.00 125.87 1p63 n PRO 5 Ca 0.08 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1p63 n PRO 5 Cb 0.53 -1.62 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1p63 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p63 n GLY 6 N 1.40 -1.59 3.33 0.55 0.00 -1.26 -5.12 105.19 102.49 1p63 n GLY 6 Ca 0.06 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 1p63 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p63 s ASN 7 N -2.30 1.79 -0.05 1.61 2.20 -1.26 -5.07 114.94 111.86 1p63 s ASN 7 Ca 0.20 -1.70 0.13 0.00 -0.94 0.00 0.00 52.86 50.54 1p63 s ASN 7 Cb -0.01 0.53 0.38 0.00 -2.00 0.00 0.00 41.25 40.15 1p63 s ASN 7 CO 0.14 -1.01 1.31 -1.22 -2.94 0.00 0.00 177.10 173.38 1p63 n TYR 8 N -0.65 0.63 -0.35 1.54 4.01 -1.26 -4.68 117.16 116.40 1p63 n TYR 8 Ca 0.04 -0.60 0.09 0.00 -0.16 0.00 0.00 57.90 57.27 1p63 n TYR 8 Cb 0.63 -0.11 0.28 0.00 -0.31 0.00 0.00 39.34 39.84 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 2.05 0.86 -6.01 -0.72 1.57 -1.98 -3.43 116.57 108.92 1p63 h LYS 9 Ca 0.00 -0.05 -0.55 0.00 -1.87 0.00 0.00 60.65 58.18 1p63 h LYS 9 Cb 0.95 -0.20 -0.16 0.00 0.08 0.00 0.00 32.23 32.90 1p63 h LYS 9 CO 0.07 0.57 -0.77 0.15 -0.57 0.00 0.00 179.45 178.90 1p63 s LYS 10 N -5.88 1.45 0.79 3.15 1.02 -1.26 -5.12 119.74 113.88 1p63 s LYS 10 Ca -0.11 -1.58 -0.12 0.00 0.02 0.00 0.00 55.97 54.17 1p63 s LYS 10 Cb 0.23 -1.48 0.07 0.00 -0.52 0.00 0.00 37.83 36.13 1p63 s LYS 10 CO 0.80 0.28 1.14 -1.25 -0.92 0.00 0.00 175.35 175.41 1p63 s PRO 11 N -3.23 1.93 0.20 -1.68 0.04 -1.26 -4.74 135.00 126.26 1p63 s PRO 11 Ca 0.23 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1p63 s PRO 11 Cb -0.04 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1p63 s PRO 11 CO 0.10 -1.93 0.24 0.15 0.04 0.00 0.00 177.00 175.59 1p63 s LYS 12 N -4.46 1.26 -0.15 4.56 1.02 0.17 -4.20 119.74 117.95 1p63 s LYS 12 Ca 0.67 -1.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 1p63 s LYS 12 Cb -0.22 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.39 1p63 s LYS 12 CO 0.52 -0.45 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.99 1p63 s LEU 13 N -3.09 3.49 -0.55 3.17 1.43 0.61 -0.38 118.68 123.35 1p63 s LEU 13 Ca 0.31 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 1p63 s LEU 13 Cb 0.05 -1.84 0.11 0.00 0.03 0.00 0.00 46.19 44.54 1p63 s LEU 13 CO 0.09 0.22 0.58 -0.76 0.23 0.00 0.00 176.35 176.71 1p63 s LEU 14 N 0.05 5.76 -0.15 1.79 1.43 -1.26 0.09 118.68 126.39 1p63 s LEU 14 Ca 0.02 -1.56 -0.22 0.00 -1.03 0.00 0.00 54.13 51.34 1p63 s LEU 14 Cb -0.13 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1p63 s LEU 14 CO 0.02 -0.94 0.66 -0.47 0.23 0.00 0.00 176.35 175.85 1p63 s TYR 15 N 2.09 3.44 -0.20 0.29 5.04 -0.25 -1.03 117.35 126.72 1p63 s TYR 15 Ca 0.07 1.05 -0.13 0.00 -2.44 0.00 0.00 57.07 55.62 1p63 s TYR 15 Cb -0.27 -2.81 -0.05 0.00 0.35 0.00 0.00 41.96 39.19 1p63 s TYR 15 CO 0.05 -0.09 0.27 0.00 -1.34 0.00 0.00 175.55 174.45 1p63 h SER 17 N 7.19 0.00 -0.17 0.00 4.64 -1.41 -0.91 113.55 122.90 1p63 h SER 17 Ca -0.38 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1p63 h SER 17 Cb 1.16 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 1p63 h SER 17 CO 0.71 0.15 -0.37 -1.13 -0.87 0.00 0.00 176.83 175.32 1p63 h ASN 18 N 0.00 -1.17 0.00 4.97 -1.24 -1.77 -3.33 115.58 113.04 1p63 h ASN 18 Ca -0.00 0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1p63 h ASN 18 Cb 0.50 0.49 0.00 0.00 0.73 0.00 0.00 38.32 40.05 1p63 h ASN 18 CO 0.02 -0.39 0.00 0.61 -1.29 0.00 0.00 177.43 176.38 1p63 n GLY 19 N -1.42 -0.23 2.23 1.57 0.00 -1.24 -4.76 105.19 101.34 1p63 n GLY 19 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.18 0.37 3.76 -0.02 0.00 -0.36 -5.02 105.19 103.74 1p63 n GLY 20 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.12 3.13 -0.05 1.61 3.76 -1.13 -4.66 115.29 114.82 1p63 s HIS 21 Ca 0.19 0.03 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 1p63 s HIS 21 Cb -0.08 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 1p63 s HIS 21 CO 0.27 0.51 0.39 -0.06 -0.85 0.00 0.00 174.74 175.00 1p63 s PHE 22 N -1.45 3.64 0.19 1.40 0.08 -0.14 0.35 117.98 122.05 1p63 s PHE 22 Ca 0.29 0.89 -0.31 0.00 0.12 0.00 0.00 56.93 57.91 1p63 s PHE 22 Cb -0.12 -2.32 -0.10 0.00 -0.57 0.00 0.00 43.02 39.91 1p63 s PHE 22 CO 0.21 0.50 1.53 -1.17 -0.10 0.00 0.00 175.22 176.19 1p63 s LEU 23 N -0.52 4.37 -0.05 -0.37 2.96 -0.20 -1.35 118.68 123.52 1p63 s LEU 23 Ca 0.22 2.63 0.03 0.00 -0.22 0.00 0.00 54.13 56.79 1p63 s LEU 23 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1p63 s LEU 23 CO 0.11 -0.79 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.60 1p63 s ARG 24 N 0.72 1.73 -0.39 1.98 3.52 0.15 -4.41 118.95 122.25 1p63 s ARG 24 Ca 0.67 -0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1p63 s ARG 24 Cb -0.43 -1.47 0.10 0.00 -1.56 0.00 0.00 34.95 31.59 1p63 s ARG 24 CO 0.35 0.15 0.17 0.42 -0.81 0.00 0.00 175.30 175.58 1p63 s ILE 25 N 0.28 3.29 0.60 4.11 1.01 -0.84 -1.06 121.20 128.60 1p63 s ILE 25 Ca -0.08 -1.90 -0.16 0.00 0.00 0.00 0.00 60.65 58.51 1p63 s ILE 25 Cb -0.13 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1p63 s ILE 25 CO 0.03 -0.58 1.07 -0.76 0.00 0.00 0.00 174.94 174.70 1p63 s LEU 26 N 1.18 3.50 0.53 2.97 1.43 0.31 -4.82 118.68 123.77 1p63 s LEU 26 Ca 0.06 1.88 0.25 0.00 -1.03 0.00 0.00 54.13 55.28 1p63 s LEU 26 Cb -0.22 -4.54 1.40 0.00 0.03 0.00 0.00 46.19 42.85 1p63 s LEU 26 CO -0.03 -1.25 2.00 -0.65 0.23 0.00 0.00 176.35 176.65 1p63 h PRO 27 N 0.43 0.00 -0.03 1.29 0.11 -1.98 0.11 132.00 131.92 1p63 h PRO 27 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p63 h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p63 h PRO 27 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1p63 n ASP 28 N -4.37 0.58 0.00 -2.05 5.75 -1.26 -4.86 116.55 110.33 1p63 n ASP 28 Ca 0.09 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1p63 n ASP 28 Cb 0.58 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 1.00 0.69 3.77 6.12 0.00 0.37 -4.97 105.19 112.16 1p63 n GLY 29 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.53 3.64 -0.10 2.61 2.01 -1.24 -1.11 115.64 118.92 1p63 s THR 30 Ca 0.00 1.42 0.03 0.00 0.31 0.00 0.00 61.69 63.46 1p63 s THR 30 Cb 0.00 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1p63 s THR 30 CO 0.00 0.17 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.21 1p63 s VAL 31 N -1.44 1.83 0.00 3.82 1.01 -1.26 0.11 120.40 124.48 1p63 s VAL 31 Ca 0.52 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1p63 s VAL 31 Cb -0.26 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1p63 s VAL 31 CO 0.33 0.51 0.00 -0.90 0.00 0.00 0.00 175.10 175.04 1p63 n ASP 32 N 3.74 0.00 -4.27 3.32 5.75 -0.22 -4.44 116.55 120.43 1p63 n ASP 32 Ca -0.20 -0.02 -0.19 0.00 -0.01 0.00 0.00 54.79 54.36 1p63 n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.02 1.16 0.00 6.12 0.00 0.98 0.32 107.32 115.87 1p63 s GLY 33 Ca 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 1p63 s GLY 33 CO 0.00 -1.39 0.01 -1.08 0.00 0.00 0.00 173.10 170.64 1p63 s THR 34 N -2.04 0.05 -1.02 0.90 -1.32 -0.46 -4.76 115.64 106.98 1p63 s THR 34 Ca 0.10 -0.39 0.28 0.00 -1.21 0.00 0.00 61.69 60.47 1p63 s THR 34 Cb -0.05 -0.15 0.17 0.00 -1.51 0.00 0.00 72.50 70.96 1p63 s THR 34 CO 0.04 -0.21 1.76 0.54 -2.21 0.00 0.00 174.62 174.53 1p63 n ARG 35 N 2.41 0.02 -2.58 7.08 1.74 -1.26 -0.96 116.66 123.11 1p63 n ARG 35 Ca -0.17 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1p63 n ARG 35 Cb 0.58 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.98 6.26 0.61 0.55 2.15 -1.26 -4.84 116.67 117.17 1p63 s ASP 36 Ca 0.14 -0.27 0.41 0.00 0.43 0.00 0.00 52.55 53.25 1p63 s ASP 36 Cb 0.19 -2.55 2.21 0.00 -0.30 0.00 0.00 42.92 42.46 1p63 s ASP 36 CO 0.58 -1.69 2.24 0.03 -0.17 0.00 0.00 175.17 176.17 1p63 h ARG 37 N 9.83 0.00 -0.01 4.34 3.08 -2.00 0.11 114.38 129.74 1p63 h ARG 37 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1p63 h ARG 37 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1p63 h ARG 37 CO 1.24 0.00 -0.29 -1.13 -1.07 0.00 0.00 179.97 178.72 1p63 n SER 38 N -2.94 0.84 -4.68 7.04 3.41 -1.26 -4.91 113.62 111.12 1p63 n SER 38 Ca -0.03 -0.70 -0.43 0.00 -0.26 0.00 0.00 58.87 57.45 1p63 n SER 38 Cb 0.08 0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1p63 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1p63 n ASP 39 N -0.87 2.69 -0.39 4.04 -0.08 0.40 -4.87 116.55 117.47 1p63 n ASP 39 Ca 0.11 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.70 1p63 n ASP 39 Cb 0.34 -1.45 0.56 0.00 2.34 0.00 0.00 41.12 42.90 1p63 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p63 n GLN 40 N 1.15 1.53 -0.35 -0.67 1.13 -1.26 -3.83 117.38 115.06 1p63 n GLN 40 Ca 0.08 -0.77 0.07 0.00 -1.94 0.00 0.00 57.00 54.44 1p63 n GLN 40 Cb 0.34 -1.45 0.23 0.00 0.11 0.00 0.00 30.24 29.47 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 -0.05 0.80 0.51 1.08 8.25 -1.26 -4.44 115.22 120.11 1p63 n HIS 41 Ca 0.19 -0.69 0.05 0.00 -0.26 0.00 0.00 57.72 57.01 1p63 n HIS 41 Cb 0.29 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 0.09 0.00 -2.63 1.59 -5.35 -1.25 -1.98 119.36 109.83 1p63 n ILE 42 Ca 0.18 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 1p63 n ILE 42 Cb 0.70 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 39.66 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 -1.68 4.13 0.10 6.28 1.11 -1.26 -4.45 119.66 123.89 1p63 s GLN 43 Ca 0.07 1.19 0.10 0.00 0.01 0.00 0.00 55.36 56.74 1p63 s GLN 43 Cb 0.09 -3.71 -0.04 0.00 -1.01 0.00 0.00 33.01 28.34 1p63 s GLN 43 CO 0.35 -0.81 -0.25 -0.51 0.01 0.00 0.00 175.29 174.07 1p63 s LEU 44 N 3.51 2.27 -0.25 2.90 1.43 0.49 -1.78 118.68 127.24 1p63 s LEU 44 Ca 0.45 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1p63 s LEU 44 Cb -0.14 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.94 1p63 s LEU 44 CO 0.12 0.18 -0.03 -1.58 0.23 0.00 0.00 176.35 175.27 1p63 s GLN 45 N -1.76 3.05 0.14 1.70 2.00 0.12 0.43 119.66 125.34 1p63 s GLN 45 Ca 0.12 -0.84 -0.08 0.00 -2.00 0.00 0.00 55.36 52.56 1p63 s GLN 45 Cb -0.10 -3.06 -0.06 0.00 0.80 0.00 0.00 33.01 30.59 1p63 s GLN 45 CO 0.04 -0.34 0.42 -0.51 -0.50 0.00 0.00 175.29 174.40 1p63 s LEU 46 N 1.41 4.27 0.02 3.68 1.02 -1.26 -0.81 118.68 127.01 1p63 s LEU 46 Ca 0.02 0.73 -0.12 0.00 0.02 0.00 0.00 54.13 54.79 1p63 s LEU 46 Cb -0.16 -3.28 0.01 0.00 0.02 0.00 0.00 46.19 42.78 1p63 s LEU 46 CO -0.03 0.07 0.25 -0.94 0.02 0.00 0.00 176.35 175.71 1p63 s SER 47 N -2.18 -0.08 0.04 2.29 1.04 -0.96 -4.73 113.70 109.12 1p63 s SER 47 Ca 0.40 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1p63 s SER 47 Cb -0.13 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1p63 s SER 47 CO 0.22 -0.51 0.14 0.00 0.98 0.00 0.00 173.24 174.07 1p63 s ALA 48 N -1.98 3.77 0.00 5.32 0.00 -1.26 -0.49 121.76 127.12 1p63 s ALA 48 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1p63 s ALA 48 Cb -0.03 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.43 1p63 s ALA 48 CO -0.00 0.76 0.00 -1.91 0.00 0.00 0.00 175.76 174.61 1p63 n GLU 49 N 0.64 0.00 -2.17 0.00 4.07 -0.52 -4.93 120.64 117.73 1p63 n GLU 49 Ca -0.09 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.75 1p63 n GLU 49 Cb 0.52 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.00 1p63 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1p63 s SER 50 N -0.77 4.33 0.26 4.31 0.01 -1.26 -4.89 113.70 115.68 1p63 s SER 50 Ca 0.00 0.32 -0.31 0.00 1.31 0.00 0.00 55.95 57.27 1p63 s SER 50 Cb 0.00 -0.78 -0.12 0.00 0.21 0.00 0.00 66.02 65.34 1p63 s SER 50 CO 0.00 -1.93 1.66 -0.69 0.41 0.00 0.00 173.24 172.69 1p63 s VAL 51 N -3.41 2.03 0.00 3.43 1.01 -1.26 -0.97 120.40 121.23 1p63 s VAL 51 Ca 0.64 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1p63 s VAL 51 Cb -0.08 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1p63 s VAL 51 CO 0.47 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1p63 n GLY 52 N 2.97 1.33 3.67 4.51 0.00 -1.26 -5.01 105.19 111.39 1p63 n GLY 52 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 3.59 0.07 1.61 2.02 -0.14 -1.24 118.70 124.54 1p63 s GLU 53 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1p63 s GLU 53 Cb 0.00 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1p63 s GLU 53 CO 0.00 0.46 -0.07 0.14 0.02 0.00 0.00 175.26 175.82 1p63 s VAL 54 N -0.18 0.58 0.02 2.63 -7.23 0.36 -1.44 120.40 115.15 1p63 s VAL 54 Ca 0.07 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1p63 s VAL 54 Cb -0.12 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1p63 s VAL 54 CO 0.02 -0.71 0.03 -0.31 -0.31 0.00 0.00 175.10 173.82 1p63 s TYR 55 N -2.82 3.14 -0.29 2.82 2.02 0.35 -1.24 117.35 121.33 1p63 s TYR 55 Ca 0.03 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 1p63 s TYR 55 Cb -0.00 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 39.98 1p63 s TYR 55 CO -0.03 0.50 0.00 0.42 -1.57 0.00 0.00 175.55 174.86 1p63 s ILE 56 N -1.19 1.85 -0.10 2.71 1.01 -1.26 -2.26 121.20 121.96 1p63 s ILE 56 Ca 0.23 -1.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 1p63 s ILE 56 Cb -0.12 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1p63 s ILE 56 CO 0.14 -0.38 -0.02 -0.75 0.00 0.00 0.00 174.94 173.94 1p63 s LYS 57 N 1.17 3.12 -0.22 2.79 2.20 0.01 -0.59 119.74 128.23 1p63 s LYS 57 Ca 0.03 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 1p63 s LYS 57 Cb -0.19 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1p63 s LYS 57 CO -0.10 0.58 1.29 0.45 -0.36 0.00 0.00 175.35 177.22 1p63 s SER 58 N -0.56 6.82 0.33 1.43 0.15 0.26 0.14 113.70 122.28 1p63 s SER 58 Ca 0.09 1.50 0.04 0.00 0.70 0.00 0.00 55.95 58.29 1p63 s SER 58 Cb -0.12 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.25 1p63 s SER 58 CO 0.02 -0.90 1.86 0.71 1.20 0.00 0.00 173.24 176.13 1p63 h THR 59 N 5.69 1.20 -0.17 6.45 1.35 -1.68 0.28 112.91 126.03 1p63 h THR 59 Ca -0.26 -0.83 -0.16 0.00 -0.55 0.00 0.00 66.41 64.60 1p63 h THR 59 Cb 1.10 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1p63 h THR 59 CO 1.00 0.28 -0.51 -0.08 -0.25 0.00 0.00 175.52 175.95 1p63 h GLU 60 N 0.48 0.66 0.00 4.72 4.57 -1.81 -3.37 114.58 119.83 1p63 h GLU 60 Ca 0.10 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1p63 h GLU 60 Cb 0.37 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1p63 h GLU 60 CO 0.02 1.09 -1.10 0.25 -1.18 0.00 0.00 179.01 178.09 1p63 n THR 61 N -4.16 0.00 -0.63 0.32 -2.24 -1.19 -4.97 114.28 101.41 1p63 n THR 61 Ca -0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1p63 n THR 61 Cb 0.60 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.61 1.46 3.78 3.38 0.00 0.96 -5.01 105.19 111.38 1p63 n GLY 62 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.11 3.13 -0.08 1.61 -0.21 -1.26 -4.69 119.66 118.05 1p63 s GLN 63 Ca 0.00 1.40 -0.02 0.00 0.02 0.00 0.00 55.36 56.76 1p63 s GLN 63 Cb 0.00 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.98 1p63 s GLN 63 CO 0.00 -0.99 0.01 0.71 -2.12 0.00 0.00 175.29 172.90 1p63 s TYR 64 N -2.20 3.18 0.28 0.91 1.51 0.68 -0.58 117.35 121.15 1p63 s TYR 64 Ca 0.68 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.65 1p63 s TYR 64 Cb -0.20 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.76 1p63 s TYR 64 CO 0.35 0.49 1.34 -1.17 -1.11 0.00 0.00 175.55 175.44 1p63 s LEU 65 N -0.92 4.42 0.05 -1.29 2.96 0.24 -0.22 118.68 123.91 1p63 s LEU 65 Ca 0.14 2.62 -0.09 0.00 -0.22 0.00 0.00 54.13 56.58 1p63 s LEU 65 Cb -0.11 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1p63 s LEU 65 CO 0.03 -0.56 0.18 0.00 -1.32 0.00 0.00 176.35 174.67 1p63 s ALA 66 N -0.61 -0.28 -0.11 5.97 0.00 0.00 -4.35 121.76 122.37 1p63 s ALA 66 Ca 0.53 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1p63 s ALA 66 Cb -0.39 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1p63 s ALA 66 CO 0.47 -0.38 -0.13 1.41 0.00 0.00 0.00 175.76 177.14 1p63 s MET 67 N -2.79 2.02 0.92 0.00 1.75 -0.73 -0.06 119.30 120.42 1p63 s MET 67 Ca -0.03 -0.48 -0.13 0.00 -1.25 0.00 0.00 55.69 53.80 1p63 s MET 67 Cb -0.00 -1.80 0.19 0.00 2.84 0.00 0.00 34.83 36.06 1p63 s MET 67 CO -0.05 -0.13 1.27 0.16 -0.65 0.00 0.00 175.02 175.62 1p63 s ASP 68 N 1.19 3.28 0.35 1.11 1.47 -0.43 -4.81 116.67 118.83 1p63 s ASP 68 Ca -0.03 0.11 0.26 0.00 1.18 0.00 0.00 52.55 54.06 1p63 s ASP 68 Cb -0.14 -0.19 1.26 0.00 -0.34 0.00 0.00 42.92 43.51 1p63 s ASP 68 CO -0.04 -2.61 1.78 0.71 0.68 0.00 0.00 175.17 175.68 1p63 h THR 69 N -1.46 0.00 -0.01 2.11 1.35 -2.01 0.10 112.91 112.99 1p63 h THR 69 Ca -0.43 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1p63 h THR 69 Cb 1.24 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1p63 h THR 69 CO 0.37 0.00 -0.29 0.47 -0.25 0.00 0.00 175.52 175.82 1p63 n ASP 70 N -2.40 1.60 0.00 5.36 8.00 -1.26 -4.95 116.55 122.91 1p63 n ASP 70 Ca -0.00 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1p63 n ASP 70 Cb 0.12 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 1.35 0.63 3.84 0.44 0.00 0.36 -4.59 105.19 107.21 1p63 n GLY 71 Ca 0.12 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 4.44 0.36 0.99 2.01 -1.26 0.65 118.68 125.87 1p63 s LEU 72 Ca 0.00 0.83 -0.21 0.00 0.01 0.00 0.00 54.13 54.76 1p63 s LEU 72 Cb 0.00 -2.46 -0.10 0.00 0.01 0.00 0.00 46.19 43.64 1p63 s LEU 72 CO 0.00 0.32 0.88 -0.76 1.01 0.00 0.00 176.35 177.80 1p63 s LEU 73 N -0.94 4.09 0.18 1.79 1.43 -1.26 -1.31 118.68 122.66 1p63 s LEU 73 Ca 0.21 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 54.74 1p63 s LEU 73 Cb -0.15 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1p63 s LEU 73 CO 0.11 -0.22 0.51 -0.72 0.23 0.00 0.00 176.35 176.26 1p63 s TYR 74 N -1.95 -0.17 -0.28 0.29 1.13 0.92 -4.60 117.35 112.69 1p63 s TYR 74 Ca 0.56 -0.16 -0.16 0.00 -1.41 0.00 0.00 57.07 55.89 1p63 s TYR 74 Cb -0.12 0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 41.10 1p63 s TYR 74 CO 0.17 -0.88 0.43 0.20 -2.51 0.00 0.00 175.55 172.96 1p63 s GLY 75 N -2.85 1.86 -0.02 5.49 0.00 -0.26 -0.82 107.32 110.72 1p63 s GLY 75 Ca 0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 1p63 s GLY 75 CO -0.05 1.09 0.22 -0.45 0.00 0.00 0.00 173.10 173.91 1p63 s SER 76 N 1.63 6.44 0.42 1.64 0.15 0.69 -4.75 113.70 119.91 1p63 s SER 76 Ca 0.17 0.48 0.21 0.00 0.70 0.00 0.00 55.95 57.51 1p63 s SER 76 Cb -0.16 -2.06 0.86 0.00 -1.71 0.00 0.00 66.02 62.96 1p63 s SER 76 CO 0.10 0.29 1.82 1.56 1.20 0.00 0.00 173.24 178.20 1p63 h GLN 77 N 4.13 0.00 -5.58 5.44 1.08 -1.92 0.20 115.11 118.47 1p63 h GLN 77 Ca -0.51 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.25 1p63 h GLN 77 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.44 1p63 h GLN 77 CO 0.65 0.29 -0.77 0.95 -0.95 0.00 0.00 178.83 179.01 1p63 s THR 78 N -3.75 1.45 -0.85 -0.54 -4.23 -1.26 -4.82 115.64 101.63 1p63 s THR 78 Ca -0.00 -1.72 -0.19 0.00 -1.18 0.00 0.00 61.69 58.60 1p63 s THR 78 Cb 0.11 -1.57 0.12 0.00 1.34 0.00 0.00 72.50 72.51 1p63 s THR 78 CO 0.66 -0.35 1.05 -2.16 -0.54 0.00 0.00 174.62 173.28 1p63 s PRO 79 N -2.57 3.47 0.00 3.99 0.04 -1.26 -4.75 135.00 133.92 1p63 s PRO 79 Ca 0.09 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 59.54 1p63 s PRO 79 Cb -0.06 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.75 1p63 s PRO 79 CO 0.04 -1.75 0.00 0.27 0.04 0.00 0.00 177.00 175.60 1p63 n ASN 80 N 6.63 1.53 0.14 6.66 0.23 -1.26 -4.95 115.26 124.25 1p63 n ASN 80 Ca 0.16 -0.86 0.18 0.00 -0.53 0.00 0.00 54.58 53.53 1p63 n ASN 80 Cb 0.48 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.95 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 -1.98 0.12 114.58 113.00 1p63 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p63 h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p63 h GLU 81 CO 0.00 0.00 -0.01 0.39 0.07 0.00 0.00 179.01 179.46 1p63 n GLU 82 N -3.98 0.31 0.00 1.06 1.02 -1.26 -3.43 120.64 114.36 1p63 n GLU 82 Ca 0.04 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 1p63 n GLU 82 Cb 0.43 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.52 4.35 0.05 0.00 1.43 -1.22 -4.46 118.68 116.32 1p63 s LEU 84 Ca 0.18 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.54 1p63 s LEU 84 Cb 0.18 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1p63 s LEU 84 CO 0.59 -0.04 -0.20 -0.36 0.23 0.00 0.00 176.35 176.56 1p63 s PHE 85 N 0.47 1.76 -0.46 0.29 0.08 -0.37 -0.96 117.98 118.78 1p63 s PHE 85 Ca 0.35 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 56.79 1p63 s PHE 85 Cb -0.18 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1p63 s PHE 85 CO 0.18 0.11 0.76 -0.51 -0.10 0.00 0.00 175.22 175.66 1p63 s LEU 86 N -1.32 4.32 -0.30 -0.37 1.43 0.17 -0.48 118.68 122.13 1p63 s LEU 86 Ca 0.07 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 1p63 s LEU 86 Cb -0.09 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 1p63 s LEU 86 CO 0.02 -0.92 0.63 -0.70 0.23 0.00 0.00 176.35 175.62 1p63 s GLU 87 N 3.23 3.92 0.09 1.70 2.12 -0.37 -1.70 118.70 127.69 1p63 s GLU 87 Ca 0.28 0.33 0.05 0.00 0.36 0.00 0.00 54.97 55.98 1p63 s GLU 87 Cb -0.13 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 1p63 s GLU 87 CO 0.21 -0.56 -0.13 1.03 -0.54 0.00 0.00 175.26 175.28 1p63 s ARG 88 N 2.60 0.88 0.48 4.30 1.81 -0.57 -4.66 118.95 123.79 1p63 s ARG 88 Ca 0.25 -1.10 -0.20 0.00 -1.72 0.00 0.00 55.73 52.97 1p63 s ARG 88 Cb -0.15 -0.74 -0.09 0.00 -0.45 0.00 0.00 34.95 33.52 1p63 s ARG 88 CO 0.11 0.14 1.00 -1.17 -0.68 0.00 0.00 175.30 174.71 1p63 s LEU 89 N -2.18 3.83 -0.06 2.53 2.96 -0.06 -0.42 118.68 125.28 1p63 s LEU 89 Ca 0.03 1.81 -0.06 0.00 -0.22 0.00 0.00 54.13 55.69 1p63 s LEU 89 Cb -0.06 -4.55 0.02 0.00 0.50 0.00 0.00 46.19 42.10 1p63 s LEU 89 CO 0.02 -0.65 0.18 -0.70 -1.32 0.00 0.00 176.35 173.88 1p63 s GLU 90 N -3.35 0.22 -1.24 1.98 2.56 0.10 -4.81 118.70 114.17 1p63 s GLU 90 Ca 0.64 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.84 1p63 s GLU 90 Cb -0.13 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.10 1p63 s GLU 90 CO 0.20 -0.03 0.00 0.39 -0.56 0.00 0.00 175.26 175.26 1p63 n GLU 91 N 2.93 -2.01 -1.48 4.30 1.02 -1.26 -0.45 120.64 123.69 1p63 n GLU 91 Ca -0.13 0.70 -0.16 0.00 -0.02 0.00 0.00 57.16 57.55 1p63 n GLU 91 Cb 0.59 -5.27 -0.07 0.00 -0.02 0.00 0.00 31.44 26.67 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 -1.68 -5.10 0.00 1.62 4.13 -1.26 -4.64 115.26 108.33 1p63 n ASN 92 Ca -0.16 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1p63 n ASN 92 Cb 0.60 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 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 -2.48 -0.94 -2.34 3.10 -0.00 -0.09 -5.15 115.22 107.32 1p63 n HIS 93 Ca -0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.30 1p63 n HIS 93 Cb 0.56 0.33 0.11 0.00 -0.00 0.00 0.00 29.99 30.99 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 -1.66 1.95 -0.10 1.57 2.02 0.41 -4.81 117.35 116.73 1p63 s TYR 94 Ca 0.00 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1p63 s TYR 94 Cb 0.00 -3.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.22 1p63 s TYR 94 CO 0.00 -1.83 -0.06 -0.80 -1.57 0.00 0.00 175.55 171.28 1p63 s ASN 95 N -4.71 4.64 0.15 2.29 -0.87 0.28 0.02 114.94 116.73 1p63 s ASN 95 Ca 0.66 -0.09 0.08 0.00 -1.57 0.00 0.00 52.86 51.95 1p63 s ASN 95 Cb -0.06 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.25 39.70 1p63 s ASN 95 CO 0.46 0.28 -0.19 0.42 -2.57 0.00 0.00 177.10 175.50 1p63 s THR 96 N -0.30 1.79 -0.18 1.60 -4.23 0.44 -0.71 115.64 114.04 1p63 s THR 96 Ca 0.04 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1p63 s THR 96 Cb -0.13 -1.76 0.05 0.00 1.34 0.00 0.00 72.50 72.00 1p63 s THR 96 CO 0.02 -0.25 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.53 1p63 s TYR 97 N -1.82 1.52 -0.15 3.99 1.51 -1.26 -1.52 117.35 119.63 1p63 s TYR 97 Ca 0.13 -1.07 -0.07 0.00 -1.01 0.00 0.00 57.07 55.06 1p63 s TYR 97 Cb -0.07 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 1p63 s TYR 97 CO 0.06 -0.62 0.07 0.42 -1.11 0.00 0.00 175.55 174.37 1p63 s ILE 98 N 1.69 4.92 -0.03 2.71 1.01 -0.69 -0.82 121.20 129.98 1p63 s ILE 98 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 60.65 60.31 1p63 s ILE 98 Cb -0.16 -3.18 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 1p63 s ILE 98 CO -0.07 0.52 1.87 -0.24 0.00 0.00 0.00 174.94 177.01 1p63 n SER 99 N 2.95 3.57 0.02 3.58 2.88 -0.32 0.44 113.62 126.73 1p63 n SER 99 Ca -0.18 0.97 -0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1p63 n SER 99 Cb 0.53 -1.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.51 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 9.09 0.04 -0.92 -1.46 3.64 -1.37 0.12 116.57 125.71 1p63 h LYS 100 Ca -0.48 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1p63 h LYS 100 Cb 1.26 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 1p63 h LYS 100 CO 0.94 0.16 0.56 -0.22 -2.27 0.00 0.00 179.45 178.63 1p63 h LYS 101 N -0.10 0.90 -0.56 1.90 3.64 -1.77 -2.28 116.57 118.30 1p63 h LYS 101 Ca 0.01 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.11 1p63 h LYS 101 Cb 0.14 -0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 31.62 1p63 h LYS 101 CO -0.00 0.60 0.17 0.72 -2.27 0.00 0.00 179.45 178.66 1p63 n HIS 102 N -4.66 1.79 -0.27 1.91 8.25 -1.13 -4.73 115.22 116.39 1p63 n HIS 102 Ca 0.16 -1.41 0.05 0.00 -0.26 0.00 0.00 57.72 56.26 1p63 n HIS 102 Cb 0.30 -0.60 0.19 0.00 1.12 0.00 0.00 29.99 31.00 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 1.57 1.14 -0.00 -1.41 0.00 -0.14 0.75 119.26 121.17 1p63 h ALA 103 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1p63 h ALA 103 Cb 2.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1p63 h ALA 103 CO 0.59 -0.11 0.01 1.05 0.00 0.00 0.00 179.25 180.78 1p63 h GLU 104 N 0.56 0.00 -0.01 0.00 9.09 -1.84 0.73 114.58 123.11 1p63 h GLU 104 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1p63 h GLU 104 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 1p63 h GLU 104 CO -0.35 0.00 -0.25 1.63 0.05 0.00 0.00 179.01 180.09 1p63 n LYS 105 N -3.58 0.75 -3.66 1.06 5.02 0.25 -4.96 118.16 113.03 1p63 n LYS 105 Ca -0.03 -0.41 -0.21 0.00 -2.02 0.00 0.00 58.31 55.64 1p63 n LYS 105 Cb 0.08 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.77 -1.49 -4.59 4.39 4.13 0.25 -4.95 115.26 112.22 1p63 n ASN 106 Ca 0.12 -0.78 -0.39 0.00 1.68 0.00 0.00 54.58 55.20 1p63 n ASN 106 Cb 0.34 -4.25 -0.09 0.00 -1.54 0.00 0.00 39.78 34.24 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 -3.60 3.23 0.28 3.10 0.51 -1.25 -4.51 118.94 116.70 1p63 s TRP 107 Ca 0.03 0.33 0.08 0.00 -2.12 0.00 0.00 56.10 54.42 1p63 s TRP 107 Cb -0.02 -2.61 -0.04 0.00 -0.81 0.00 0.00 33.47 29.99 1p63 s TRP 107 CO 0.80 -0.28 0.10 -0.06 -0.51 0.00 0.00 176.95 177.00 1p63 s PHE 108 N 2.09 2.85 0.11 -1.98 0.40 -1.26 -1.18 117.98 119.01 1p63 s PHE 108 Ca 0.15 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 1p63 s PHE 108 Cb -0.16 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.94 1p63 s PHE 108 CO 0.10 0.52 0.95 0.08 0.70 0.00 0.00 175.22 177.57 1p63 s VAL 109 N -2.28 4.50 0.08 -0.44 1.01 -0.00 -4.54 120.40 118.73 1p63 s VAL 109 Ca 0.33 2.04 -0.26 0.00 0.00 0.00 0.00 61.98 64.10 1p63 s VAL 109 Cb -0.06 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.09 1p63 s VAL 109 CO 0.22 0.33 0.68 -0.83 0.00 0.00 0.00 175.10 175.50 1p63 s GLY 110 N -0.06 -0.57 -0.10 4.51 0.00 -1.26 -4.39 107.32 105.44 1p63 s GLY 110 Ca 0.46 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1p63 s GLY 110 CO 0.29 0.38 -0.12 -0.42 0.00 0.00 0.00 173.10 173.23 1p63 s ILE 111 N -3.06 1.27 0.86 0.90 1.01 -0.43 -0.54 121.20 121.21 1p63 s ILE 111 Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1p63 s ILE 111 Cb -0.01 -1.19 0.11 0.00 0.01 0.00 0.00 42.46 41.38 1p63 s ILE 111 CO -0.07 0.40 1.12 -0.54 0.00 0.00 0.00 174.94 175.84 1p63 s LYS 112 N 1.10 1.51 0.56 2.79 1.02 0.40 -4.56 119.74 122.57 1p63 s LYS 112 Ca -0.05 1.34 0.34 0.00 0.02 0.00 0.00 55.97 57.62 1p63 s LYS 112 Cb -0.14 -1.80 1.83 0.00 -0.52 0.00 0.00 37.83 37.20 1p63 s LYS 112 CO -0.02 -2.22 2.02 0.87 -0.92 0.00 0.00 175.35 175.08 1p63 h LYS 113 N -1.56 0.00 -0.46 1.68 1.57 -1.86 -0.94 116.57 115.00 1p63 h LYS 113 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1p63 h LYS 113 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1p63 h LYS 113 CO 0.46 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.61 1p63 n ASN 114 N -2.77 2.75 0.00 0.86 0.23 -1.26 -4.73 115.26 110.34 1p63 n ASN 114 Ca -0.02 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 1p63 n ASN 114 Cb 0.15 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 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 1.34 1.25 3.81 4.83 0.00 -0.36 -5.00 105.19 111.06 1p63 n GLY 115 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1p63 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p63 s SER 116 N -3.10 6.54 0.67 1.61 0.01 -1.26 -0.02 113.70 118.15 1p63 s SER 116 Ca 0.00 0.64 -0.16 0.00 1.31 0.00 0.00 55.95 57.73 1p63 s SER 116 Cb 0.00 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1p63 s SER 116 CO 0.00 0.27 1.19 0.00 0.41 0.00 0.00 173.24 175.12 1p63 s LYS 118 N -3.73 3.70 -0.06 0.00 1.02 0.30 -4.72 119.74 116.26 1p63 s LYS 118 Ca 0.74 0.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.32 1p63 s LYS 118 Cb -0.28 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1p63 s LYS 118 CO 0.40 -0.37 0.25 1.03 -0.92 0.00 0.00 175.35 175.75 1p63 s ARG 119 N -4.66 3.62 0.25 1.68 0.52 -1.26 -4.66 118.95 114.44 1p63 s ARG 119 Ca 0.54 0.06 -0.11 0.00 -0.52 0.00 0.00 55.73 55.71 1p63 s ARG 119 Cb -0.11 -3.18 0.36 0.00 0.52 0.00 0.00 34.95 32.54 1p63 s ARG 119 CO 0.44 0.73 1.58 0.78 0.02 0.00 0.00 175.30 178.85 1p63 h GLY 120 N 4.73 0.57 2.00 -3.53 0.00 -0.02 0.05 103.07 106.87 1p63 h GLY 120 Ca -0.53 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1p63 h GLY 120 CO 0.60 -0.32 0.00 -2.55 0.00 0.00 0.00 176.54 174.28 1p63 h PRO 121 N -0.01 0.00 -0.74 4.80 0.11 -1.83 -1.48 132.00 132.85 1p63 h PRO 121 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1p63 h PRO 121 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1p63 h PRO 121 CO -0.88 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.45 1p63 n ARG 122 N -2.68 2.73 -4.14 1.05 5.12 0.00 -4.94 116.66 113.80 1p63 n ARG 122 Ca -0.01 -2.68 -0.24 0.00 -1.93 0.00 0.00 57.85 52.98 1p63 n ARG 122 Cb 0.11 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 29.78 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 -1.01 4.22 -0.10 0.55 -4.23 -0.56 -4.91 115.64 109.61 1p63 s THR 123 Ca 0.50 -1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 59.35 1p63 s THR 123 Cb 0.26 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 71.01 1p63 s THR 123 CO 0.34 -0.23 1.02 -1.38 -0.54 0.00 0.00 174.62 173.83 1p63 s HIS 124 N -1.95 -0.28 0.26 3.99 -3.43 -1.26 -4.84 115.29 107.78 1p63 s HIS 124 Ca 0.31 0.26 -0.31 0.00 -0.80 0.00 0.00 55.06 54.52 1p63 s HIS 124 Cb -0.09 0.51 -0.13 0.00 -1.43 0.00 0.00 32.58 31.44 1p63 s HIS 124 CO 0.23 -0.39 1.40 0.66 -2.00 0.00 0.00 174.74 174.64 1p63 n TYR 125 N 0.03 2.24 0.00 0.38 4.01 -1.26 -2.45 117.16 120.10 1p63 n TYR 125 Ca -0.06 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1p63 n TYR 125 Cb 0.60 -2.46 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 1.94 1.89 3.86 2.72 0.00 -1.26 -5.09 105.19 109.26 1p63 n GLY 126 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.56 3.83 0.19 1.61 -0.21 -1.02 -4.97 119.66 118.52 1p63 s GLN 127 Ca 0.00 0.72 0.12 0.00 0.02 0.00 0.00 55.36 56.21 1p63 s GLN 127 Cb 0.00 -2.23 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 1p63 s GLN 127 CO 0.00 -0.22 1.33 0.87 -2.12 0.00 0.00 175.29 175.15 1p63 h LYS 128 N 0.87 0.00 -0.12 2.91 1.79 -1.98 -3.32 116.57 116.72 1p63 h LYS 128 Ca -0.47 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.04 1p63 h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1p63 h LYS 128 CO 0.62 0.71 0.11 0.00 -1.08 0.00 0.00 179.45 179.80 1p63 h ALA 129 N 1.27 1.86 -0.00 3.86 0.00 -1.94 -2.25 119.26 122.06 1p63 h ALA 129 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p63 h ALA 129 Cb 1.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1p63 h ALA 129 CO 0.09 -0.17 -0.35 0.44 0.00 0.00 0.00 179.25 179.27 1p63 n ILE 130 N -4.10 0.00 -2.85 0.00 -5.35 -1.25 -1.32 119.36 104.50 1p63 n ILE 130 Ca -0.00 -0.07 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 1p63 n ILE 130 Cb 0.22 0.29 -0.04 0.00 -1.74 0.00 0.00 39.64 38.37 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 -2.72 4.13 0.20 7.28 1.43 -0.85 -4.45 118.68 123.69 1p63 s LEU 131 Ca 0.19 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.54 1p63 s LEU 131 Cb 0.19 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1p63 s LEU 131 CO 0.59 -0.49 -0.18 -0.36 0.23 0.00 0.00 176.35 176.14 1p63 s PHE 132 N 2.59 1.91 -0.10 0.29 0.40 0.11 -1.27 117.98 121.91 1p63 s PHE 132 Ca 0.38 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1p63 s PHE 132 Cb -0.16 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.48 1p63 s PHE 132 CO 0.10 0.42 -0.05 -0.51 0.70 0.00 0.00 175.22 175.87 1p63 s LEU 133 N -2.97 1.02 0.19 -0.37 1.43 0.50 -0.56 118.68 117.92 1p63 s LEU 133 Ca 0.20 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1p63 s LEU 133 Cb -0.05 -0.71 -0.08 0.00 0.03 0.00 0.00 46.19 45.39 1p63 s LEU 133 CO 0.08 -0.14 1.07 -2.16 0.23 0.00 0.00 176.35 175.43 1p63 s PRO 134 N 1.74 4.64 0.10 1.29 0.04 -1.26 -1.09 135.00 140.46 1p63 s PRO 134 Ca 0.04 1.68 0.06 0.00 0.04 0.00 0.00 61.00 62.82 1p63 s PRO 134 Cb -0.13 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1p63 s PRO 134 CO -0.07 0.16 -0.16 -0.51 0.04 0.00 0.00 177.00 176.46 1p63 s LEU 135 N -0.57 2.34 0.57 -3.56 1.43 0.11 -4.92 118.68 114.08 1p63 s LEU 135 Ca 0.47 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 1p63 s LEU 135 Cb -0.29 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 1p63 s LEU 135 CO 0.35 -0.08 1.22 -2.16 0.23 0.00 0.00 176.35 175.91 1p63 s PRO 136 N -2.23 3.08 0.00 1.29 0.04 -1.26 -0.29 135.00 135.64 1p63 s PRO 136 Ca 0.05 1.86 0.18 0.00 0.04 0.00 0.00 61.00 63.13 1p63 s PRO 136 Cb -0.08 -2.01 1.06 0.00 0.04 0.00 0.00 34.50 33.51 1p63 s PRO 136 CO 0.03 -1.13 1.46 1.33 0.04 0.00 0.00 177.00 178.73