#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdu h VAL 3 N 0.00 1.24 0.00 2.52 2.07 -1.97 -3.25 116.25 116.85 1mdu h VAL 3 Ca 0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1mdu h VAL 3 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1mdu h VAL 3 CO 0.00 0.35 -0.45 -0.62 0.02 0.00 0.00 177.57 176.87 1mdu n GLU 4 N -4.22 0.15 -1.75 1.57 1.02 -1.26 -4.22 120.64 111.93 1mdu n GLU 4 Ca 0.02 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 1mdu n GLU 4 Cb 0.30 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1mdu n GLU 4 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1mdu n HIS 5 N -1.82 2.88 0.20 -0.32 -0.00 -1.23 -4.86 115.22 110.08 1mdu n HIS 5 Ca 0.05 0.21 0.05 0.00 0.46 0.00 0.00 57.72 58.49 1mdu n HIS 5 Cb 0.39 -2.62 0.44 0.00 -0.12 0.00 0.00 29.99 28.08 1mdu n HIS 5 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1mdu h PRO 6 N 5.09 0.00 -0.73 1.57 0.13 -1.93 -2.48 132.00 133.65 1mdu h PRO 6 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1mdu h PRO 6 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1mdu h PRO 6 CO 0.82 0.31 0.27 0.93 -0.23 0.00 0.00 178.00 180.10 1mdu h GLU 7 N 0.00 1.10 -0.35 0.86 4.39 -1.93 -2.71 114.58 115.94 1mdu h GLU 7 Ca -0.00 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1mdu h GLU 7 Cb 0.59 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1mdu h GLU 7 CO 0.04 0.90 -0.12 0.74 -1.16 0.00 0.00 179.01 179.41 1mdu h PHE 8 N 1.07 0.65 -0.25 4.33 -1.00 -1.75 -2.67 116.94 117.32 1mdu h PHE 8 Ca 0.24 -0.11 0.04 0.00 2.81 0.00 0.00 57.97 60.96 1mdu h PHE 8 Cb 0.23 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 1mdu h PHE 8 CO 0.02 0.70 0.01 -0.07 -1.61 0.00 0.00 178.31 177.36 1mdu h LEU 9 N 0.55 -0.08 -2.72 1.54 3.38 -1.27 -2.57 115.31 114.14 1mdu h LEU 9 Ca 0.10 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1mdu h LEU 9 Cb 0.53 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1mdu h LEU 9 CO 0.03 -0.01 0.03 2.29 0.09 0.00 0.00 178.44 180.88 1mdu n LYS 10 N -5.14 3.44 -3.44 1.13 2.85 -1.13 -4.89 118.16 110.98 1mdu n LYS 10 Ca -0.01 -2.06 -0.38 0.00 -1.05 0.00 0.00 58.31 54.81 1mdu n LYS 10 Cb 0.13 -1.99 -0.06 0.00 -0.65 0.00 0.00 35.03 32.46 1mdu n LYS 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mdu s ALA 11 N -2.16 3.66 -1.78 0.58 0.00 -0.97 -4.27 121.76 116.81 1mdu s ALA 11 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1mdu s ALA 11 Cb 0.28 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1mdu s ALA 11 CO 0.10 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1mdu n GLY 12 N 1.95 -0.49 0.09 0.00 0.00 -1.26 -4.88 105.19 100.60 1mdu n GLY 12 Ca -0.13 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1mdu n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mdu h LYS 13 N 0.00 0.00 -3.68 1.61 1.57 -1.91 -3.48 116.57 110.68 1mdu h LYS 13 Ca -0.50 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 1mdu h LYS 13 Cb 1.37 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.52 1mdu h LYS 13 CO 0.58 0.00 -0.39 -1.83 -0.57 0.00 0.00 179.45 177.24 1mdu s GLU 14 N -3.26 0.75 0.57 3.15 -1.05 -1.26 -5.14 118.70 112.45 1mdu s GLU 14 Ca 0.03 -0.78 -0.21 0.00 -0.15 0.00 0.00 54.97 53.87 1mdu s GLU 14 Cb 0.11 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 1mdu s GLU 14 CO 0.75 -0.22 1.34 -2.14 0.95 0.00 0.00 175.26 175.94 1mdu s PRO 15 N -3.10 3.00 0.00 -4.83 0.02 -1.26 -4.68 135.00 124.14 1mdu s PRO 15 Ca -0.01 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1mdu s PRO 15 Cb 0.01 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1mdu s PRO 15 CO -0.07 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 1mdu n GLY 16 N 0.76 0.67 3.59 0.52 0.00 -0.00 -4.94 105.19 105.78 1mdu n GLY 16 Ca 0.12 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1mdu n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mdu s LEU 17 N 0.00 3.15 -0.08 0.99 1.43 -1.26 -1.11 118.68 121.80 1mdu s LEU 17 Ca 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1mdu s LEU 17 Cb 0.00 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1mdu s LEU 17 CO 0.00 0.29 -0.07 -1.10 0.23 0.00 0.00 176.35 175.70 1mdu s GLN 18 N -1.38 1.27 -0.12 1.70 -0.21 -0.32 -4.99 119.66 115.61 1mdu s GLN 18 Ca 0.17 -0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.37 1mdu s GLN 18 Cb -0.11 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.62 1mdu s GLN 18 CO 0.07 -0.16 -0.17 0.42 -2.12 0.00 0.00 175.29 173.32 1mdu s ILE 19 N 1.34 1.67 0.13 1.08 1.01 -1.26 -0.50 121.20 124.67 1mdu s ILE 19 Ca -0.03 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.97 1mdu s ILE 19 Cb -0.14 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1mdu s ILE 19 CO -0.03 0.48 -0.23 0.26 0.00 0.00 0.00 174.94 175.41 1mdu s TRP 20 N 0.91 2.05 -0.05 3.97 0.51 0.01 -0.75 118.94 125.59 1mdu s TRP 20 Ca -0.07 -0.40 0.05 0.00 -2.12 0.00 0.00 56.10 53.56 1mdu s TRP 20 Cb -0.15 -1.09 -0.02 0.00 -0.81 0.00 0.00 33.47 31.40 1mdu s TRP 20 CO -0.01 0.31 -0.21 0.50 -0.51 0.00 0.00 176.95 177.03 1mdu s ARG 21 N -2.19 2.45 -0.07 4.98 3.52 0.19 -0.88 118.95 126.95 1mdu s ARG 21 Ca 0.12 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.60 1mdu s ARG 21 Cb -0.09 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 1mdu s ARG 21 CO 0.06 0.51 1.41 0.08 -0.81 0.00 0.00 175.30 176.55 1mdu s VAL 22 N -0.46 3.91 -0.19 7.11 1.01 0.04 -0.97 120.40 130.85 1mdu s VAL 22 Ca 0.05 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1mdu s VAL 22 Cb -0.12 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1mdu s VAL 22 CO 0.01 -0.06 0.01 -1.61 0.00 0.00 0.00 175.10 173.45 1mdu s GLU 23 N 3.18 0.84 -1.07 2.72 2.02 0.15 -4.67 118.70 121.87 1mdu s GLU 23 Ca 0.63 -0.48 -0.26 0.00 0.02 0.00 0.00 54.97 54.88 1mdu s GLU 23 Cb -0.28 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 31.88 1mdu s GLU 23 CO 0.23 -0.60 0.63 1.63 0.02 0.00 0.00 175.26 177.17 1mdu n LYS 24 N 4.99 -0.51 -1.53 1.61 4.01 -1.26 -1.13 118.16 124.34 1mdu n LYS 24 Ca -0.09 0.18 -0.13 0.00 -0.51 0.00 0.00 58.31 57.75 1mdu n LYS 24 Cb 0.47 -2.22 -0.05 0.00 -0.51 0.00 0.00 35.03 32.72 1mdu n LYS 24 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1mdu n PHE 25 N -4.36 -0.10 -4.12 2.13 3.01 -1.26 -4.94 117.46 107.82 1mdu n PHE 25 Ca -0.15 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.20 1mdu n PHE 25 Cb 0.56 -2.46 -0.10 0.00 -0.01 0.00 0.00 39.48 37.46 1mdu n PHE 25 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1mdu s ASP 26 N -2.79 0.91 -0.38 4.37 2.15 -0.28 -5.12 116.67 115.52 1mdu s ASP 26 Ca 0.00 -0.86 -0.16 0.00 0.43 0.00 0.00 52.55 51.96 1mdu s ASP 26 Cb 0.00 0.10 0.01 0.00 -0.30 0.00 0.00 42.92 42.72 1mdu s ASP 26 CO 0.00 -0.41 0.37 -0.76 -0.17 0.00 0.00 175.17 174.19 1mdu s LEU 27 N -2.57 4.73 -0.22 -1.34 1.43 -1.26 0.31 118.68 119.77 1mdu s LEU 27 Ca 0.04 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1mdu s LEU 27 Cb 0.01 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1mdu s LEU 27 CO -0.04 -0.44 -0.06 -0.69 0.23 0.00 0.00 176.35 175.35 1mdu s VAL 28 N 1.97 3.22 0.33 -1.59 1.01 -0.14 -4.91 120.40 120.28 1mdu s VAL 28 Ca 0.10 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1mdu s VAL 28 Cb -0.17 -2.45 -0.13 0.00 0.00 0.00 0.00 36.38 33.63 1mdu s VAL 28 CO 0.12 0.44 1.26 -0.81 0.00 0.00 0.00 175.10 176.11 1mdu n PRO 29 N 4.77 2.02 -3.47 2.72 -0.04 -1.26 -0.63 135.00 139.11 1mdu n PRO 29 Ca -0.19 0.71 -0.38 0.00 -0.04 0.00 0.00 63.50 63.60 1mdu n PRO 29 Cb 0.51 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 1mdu n PRO 29 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mdu s VAL 30 N -1.00 5.04 -0.06 0.52 1.01 0.07 -4.82 120.40 121.17 1mdu s VAL 30 Ca 0.57 0.86 -0.33 0.00 0.00 0.00 0.00 61.98 63.08 1mdu s VAL 30 Cb -0.59 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 1mdu s VAL 30 CO 0.61 0.54 1.91 -2.65 0.00 0.00 0.00 175.10 175.51 1mdu n PRO 31 N 2.09 2.35 -0.45 2.72 -0.02 -1.26 -4.81 135.00 135.62 1mdu n PRO 31 Ca -0.13 0.86 0.37 0.00 -2.02 0.00 0.00 63.50 62.59 1mdu n PRO 31 Cb 0.52 -2.74 0.68 0.00 -0.02 0.00 0.00 33.50 31.94 1mdu n PRO 31 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1mdu h THR 32 N 5.52 0.21 0.00 3.45 1.35 -1.95 1.49 112.91 122.98 1mdu h THR 32 Ca -0.49 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1mdu h THR 32 Cb 1.26 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1mdu h THR 32 CO 0.95 0.02 0.00 -0.46 -0.25 0.00 0.00 175.52 175.78 1mdu n ASN 33 N -4.46 0.00 -0.57 5.36 6.94 -1.26 -2.54 115.26 118.73 1mdu n ASN 33 Ca 0.35 -0.19 0.06 0.00 -0.02 0.00 0.00 54.58 54.78 1mdu n ASN 33 Cb 1.42 -0.20 0.12 0.00 -2.36 0.00 0.00 39.78 38.76 1mdu n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1mdu n LEU 34 N -1.20 2.58 -4.60 -4.53 4.77 0.51 -4.98 117.00 109.56 1mdu n LEU 34 Ca 0.11 -1.66 -0.44 0.00 -0.03 0.00 0.00 56.01 53.99 1mdu n LEU 34 Cb 0.13 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1mdu n LEU 34 CO 0.14 0.61 1.79 -1.22 -1.33 0.00 0.00 177.39 177.37 1mdu n TYR 35 N 0.55 2.04 0.00 -1.77 4.02 -1.05 -2.17 117.16 118.77 1mdu n TYR 35 Ca 0.10 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1mdu n TYR 35 Cb 0.38 -2.72 0.00 0.00 -0.02 0.00 0.00 39.34 36.98 1mdu n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mdu n GLY 36 N 5.58 1.44 3.70 2.72 0.00 -1.26 -5.07 105.19 112.30 1mdu n GLY 36 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1mdu n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mdu s ASP 37 N -0.80 6.36 -0.10 1.61 1.11 -0.92 -0.88 116.67 123.04 1mdu s ASP 37 Ca 0.00 0.42 0.01 0.00 0.18 0.00 0.00 52.55 53.16 1mdu s ASP 37 Cb 0.00 -2.17 0.02 0.00 1.07 0.00 0.00 42.92 41.83 1mdu s ASP 37 CO 0.00 0.05 -0.12 -0.36 1.18 0.00 0.00 175.17 175.92 1mdu s PHE 38 N 0.79 1.74 0.04 4.23 0.40 0.98 -4.95 117.98 121.21 1mdu s PHE 38 Ca 0.15 -0.81 -0.31 0.00 -0.60 0.00 0.00 56.93 55.36 1mdu s PHE 38 Cb -0.13 -1.30 -0.06 0.00 0.51 0.00 0.00 43.02 42.03 1mdu s PHE 38 CO 0.05 -0.45 1.29 -0.06 0.70 0.00 0.00 175.22 176.74 1mdu s PHE 39 N 1.13 3.22 -0.51 0.36 0.40 -1.26 -0.79 117.98 120.53 1mdu s PHE 39 Ca -0.05 1.09 0.20 0.00 -0.60 0.00 0.00 56.93 57.58 1mdu s PHE 39 Cb -0.14 -3.54 0.92 0.00 0.51 0.00 0.00 43.02 40.77 1mdu s PHE 39 CO -0.03 -1.81 1.62 0.25 0.70 0.00 0.00 175.22 175.95 1mdu n THR 40 N 4.20 0.98 -0.14 0.64 -2.24 0.16 -1.95 114.28 115.92 1mdu n THR 40 Ca 0.11 0.37 0.10 0.00 -2.27 0.00 0.00 64.05 62.36 1mdu n THR 40 Cb 0.45 -1.30 0.30 0.00 -2.10 0.00 0.00 70.33 67.67 1mdu n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mdu n GLY 41 N -0.41 2.13 3.56 3.38 0.00 -0.50 -0.95 105.19 112.41 1mdu n GLY 41 Ca 0.01 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 1mdu n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mdu s ASP 42 N -0.96 3.03 0.03 1.61 -0.00 -0.82 -3.84 116.67 115.71 1mdu s ASP 42 Ca 0.44 -1.58 0.05 0.00 -0.00 0.00 0.00 52.55 51.46 1mdu s ASP 42 Cb 0.24 0.32 -0.02 0.00 -0.00 0.00 0.00 42.92 43.46 1mdu s ASP 42 CO 0.28 -0.81 -0.15 0.00 -0.00 0.00 0.00 175.17 174.48 1mdu s ALA 43 N -3.13 1.28 0.09 5.23 0.00 -1.26 -2.04 121.76 121.92 1mdu s ALA 43 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1mdu s ALA 43 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1mdu s ALA 43 CO 0.13 0.26 -0.07 0.71 0.00 0.00 0.00 175.76 176.78 1mdu s TYR 44 N -0.75 0.91 -0.09 0.00 1.51 -0.01 -0.78 117.35 118.13 1mdu s TYR 44 Ca 0.03 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.32 1mdu s TYR 44 Cb -0.08 -0.52 -0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1mdu s TYR 44 CO 0.01 -0.11 -0.23 0.08 -1.11 0.00 0.00 175.55 174.20 1mdu s VAL 45 N -3.14 2.18 -0.11 0.71 1.01 -0.06 -0.43 120.40 120.54 1mdu s VAL 45 Ca 0.08 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1mdu s VAL 45 Cb 0.02 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1mdu s VAL 45 CO -0.03 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 1mdu s ILE 46 N 0.22 1.49 -0.21 2.22 1.09 0.36 -0.80 121.20 125.55 1mdu s ILE 46 Ca -0.15 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 58.74 1mdu s ILE 46 Cb -0.17 -1.37 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 1mdu s ILE 46 CO 0.07 0.44 -0.05 -0.22 -0.10 0.00 0.00 174.94 175.09 1mdu s LEU 47 N 1.10 2.89 -0.25 2.97 2.96 0.34 0.27 118.68 128.96 1mdu s LEU 47 Ca -0.04 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 1mdu s LEU 47 Cb -0.14 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1mdu s LEU 47 CO -0.03 -0.01 0.08 -0.75 -1.32 0.00 0.00 176.35 174.32 1mdu s LYS 48 N 1.39 3.72 -0.19 1.98 2.47 -0.06 -1.17 119.74 127.88 1mdu s LYS 48 Ca 0.05 -0.45 -0.03 0.00 -1.56 0.00 0.00 55.97 53.98 1mdu s LYS 48 Cb -0.14 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 32.86 1mdu s LYS 48 CO -0.03 -0.14 -0.06 0.99 0.16 0.00 0.00 175.35 176.27 1mdu s THR 49 N 1.50 3.39 -0.04 3.43 2.01 -0.27 -1.74 115.64 123.92 1mdu s THR 49 Ca 0.06 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1mdu s THR 49 Cb -0.15 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1mdu s THR 49 CO 0.04 0.46 -0.19 0.68 -0.69 0.00 0.00 174.62 174.92 1mdu s VAL 50 N 0.99 2.61 -0.17 3.82 -7.23 -0.53 -0.82 120.40 119.06 1mdu s VAL 50 Ca -0.00 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.15 1mdu s VAL 50 Cb -0.15 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1mdu s VAL 50 CO 0.00 0.58 0.24 -1.58 -0.31 0.00 0.00 175.10 174.03 1mdu s GLN 51 N -0.57 4.23 0.67 4.82 0.74 -1.26 -0.85 119.66 127.45 1mdu s GLN 51 Ca 0.08 -0.01 -0.04 0.00 0.05 0.00 0.00 55.36 55.43 1mdu s GLN 51 Cb -0.11 -3.42 0.06 0.00 1.10 0.00 0.00 33.01 30.64 1mdu s GLN 51 CO 0.01 0.26 0.96 -0.51 -0.55 0.00 0.00 175.29 175.45 1mdu s LEU 52 N 0.43 2.94 0.47 3.68 1.43 0.68 -4.95 118.68 123.36 1mdu s LEU 52 Ca 0.14 0.29 0.32 0.00 -1.03 0.00 0.00 54.13 53.84 1mdu s LEU 52 Cb -0.12 -2.97 1.66 0.00 0.03 0.00 0.00 46.19 44.78 1mdu s LEU 52 CO 0.02 -1.52 1.96 0.03 0.23 0.00 0.00 176.35 177.07 1mdu h ARG 53 N -0.44 0.00 -0.54 1.70 3.08 -1.99 -1.22 114.38 114.97 1mdu h ARG 53 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1mdu h ARG 53 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1mdu h ARG 53 CO 0.57 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.74 1mdu n ASN 54 N -2.63 5.22 0.00 7.04 0.23 -1.26 -4.94 115.26 118.92 1mdu n ASN 54 Ca -0.02 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.20 1mdu n ASN 54 Cb 0.08 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 1mdu n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mdu n GLY 55 N 0.55 1.49 3.84 4.83 0.00 -0.46 -5.01 105.19 110.43 1mdu n GLY 55 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1mdu n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mdu s ASN 56 N -3.16 6.75 -0.09 1.61 0.01 -1.26 -4.74 114.94 114.06 1mdu s ASN 56 Ca 0.00 1.52 -0.02 0.00 -0.71 0.00 0.00 52.86 53.64 1mdu s ASN 56 Cb 0.00 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1mdu s ASN 56 CO 0.00 -0.42 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.41 1mdu s LEU 57 N -3.55 3.56 0.17 0.60 1.43 -1.26 -0.23 118.68 119.40 1mdu s LEU 57 Ca 0.58 0.12 0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1mdu s LEU 57 Cb -0.10 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1mdu s LEU 57 CO 0.22 0.36 -0.21 0.00 0.23 0.00 0.00 176.35 176.95 1mdu s GLN 58 N -0.75 1.63 0.06 1.70 -2.07 -0.03 -4.95 119.66 115.25 1mdu s GLN 58 Ca 0.12 -1.39 0.08 0.00 -1.82 0.00 0.00 55.36 52.34 1mdu s GLN 58 Cb -0.12 -1.95 -0.03 0.00 -1.09 0.00 0.00 33.01 29.83 1mdu s GLN 58 CO 0.02 0.43 -0.22 0.71 -1.32 0.00 0.00 175.29 174.91 1mdu s TYR 59 N -1.47 1.92 -0.08 9.60 1.51 -1.26 -1.45 117.35 126.12 1mdu s TYR 59 Ca 0.20 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1mdu s TYR 59 Cb -0.09 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1mdu s TYR 59 CO 0.10 0.13 -0.00 -0.51 -1.11 0.00 0.00 175.55 174.15 1mdu s ASP 60 N -1.34 1.70 -0.20 2.29 1.01 -0.71 -2.45 116.67 116.97 1mdu s ASP 60 Ca 0.08 -0.13 -0.08 0.00 0.71 0.00 0.00 52.55 53.13 1mdu s ASP 60 Cb -0.09 -0.49 -0.04 0.00 1.01 0.00 0.00 42.92 43.31 1mdu s ASP 60 CO 0.02 -0.19 0.08 -0.76 0.21 0.00 0.00 175.17 174.53 1mdu s LEU 61 N 1.94 3.78 -0.06 1.23 1.43 0.55 -0.88 118.68 126.66 1mdu s LEU 61 Ca 0.05 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1mdu s LEU 61 Cb -0.12 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 1mdu s LEU 61 CO -0.06 0.11 -0.22 -1.00 0.23 0.00 0.00 176.35 175.42 1mdu s HIS 62 N 0.73 2.19 -0.19 0.29 3.76 0.14 0.15 115.29 122.37 1mdu s HIS 62 Ca 0.04 -0.72 -0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1mdu s HIS 62 Cb -0.13 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1mdu s HIS 62 CO 0.02 -0.26 -0.15 1.52 -0.85 0.00 0.00 174.74 175.02 1mdu s TYR 63 N 0.07 2.83 -0.19 1.40 -0.85 -0.74 0.13 117.35 120.01 1mdu s TYR 63 Ca -0.08 -1.42 -0.09 0.00 -0.52 0.00 0.00 57.07 54.96 1mdu s TYR 63 Cb -0.14 -1.98 -0.05 0.00 0.38 0.00 0.00 41.96 40.17 1mdu s TYR 63 CO 0.05 -0.72 0.12 -0.46 -1.52 0.00 0.00 175.55 173.01 1mdu s TRP 64 N 1.34 3.39 -0.19 -3.49 -0.00 0.42 -1.06 118.94 119.35 1mdu s TRP 64 Ca 0.05 0.29 -0.01 0.00 -0.00 0.00 0.00 56.10 56.43 1mdu s TRP 64 Cb -0.13 -2.12 0.01 0.00 -0.00 0.00 0.00 33.47 31.22 1mdu s TRP 64 CO -0.10 0.30 -0.14 -0.51 -0.00 0.00 0.00 176.95 176.50 1mdu s LEU 65 N 0.24 2.44 0.40 5.86 1.43 -0.24 -0.83 118.68 127.98 1mdu s LEU 65 Ca 0.08 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 1mdu s LEU 65 Cb -0.11 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.42 1mdu s LEU 65 CO -0.01 0.01 0.92 -0.83 0.23 0.00 0.00 176.35 176.67 1mdu s GLY 66 N 1.29 2.44 0.00 -3.19 0.00 -0.87 -2.51 107.32 104.48 1mdu s GLY 66 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1mdu s GLY 66 CO -0.08 0.67 0.88 0.70 0.00 0.00 0.00 173.10 175.27 1mdu n ASN 67 N -0.43 0.00 -0.04 1.64 5.03 -1.17 -2.07 115.26 118.22 1mdu n ASN 67 Ca 0.06 0.38 0.02 0.00 0.87 0.00 0.00 54.58 55.91 1mdu n ASN 67 Cb 0.53 -0.38 0.03 0.00 -1.02 0.00 0.00 39.78 38.94 1mdu n ASN 67 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1mdu n GLU 68 N -1.38 2.07 -2.07 3.52 -0.58 -0.12 -5.04 120.64 117.04 1mdu n GLU 68 Ca 0.00 -1.56 -0.33 0.00 -0.42 0.00 0.00 57.16 54.85 1mdu n GLU 68 Cb 0.01 -1.01 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1mdu n GLU 68 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mdu s SER 70 N -2.59 6.51 0.33 0.00 1.04 -1.26 -4.92 113.70 112.81 1mdu s SER 70 Ca 0.65 0.95 0.09 0.00 0.48 0.00 0.00 55.95 58.12 1mdu s SER 70 Cb -0.17 -2.24 0.84 0.00 0.10 0.00 0.00 66.02 64.55 1mdu s SER 70 CO 0.35 -0.27 1.78 -0.61 0.98 0.00 0.00 173.24 175.47 1mdu h GLN 71 N 1.62 0.64 -0.46 4.02 4.15 -1.99 0.26 115.11 123.34 1mdu h GLN 71 Ca -0.47 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 58.93 1mdu h GLN 71 Cb 1.19 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1mdu h GLN 71 CO 0.65 0.42 0.31 0.38 -1.93 0.00 0.00 178.83 178.66 1mdu h ASP 72 N 0.66 0.47 0.11 -0.69 2.03 -1.98 0.13 116.42 117.15 1mdu h ASP 72 Ca 0.58 -0.01 -0.19 0.00 -0.73 0.00 0.00 57.03 56.67 1mdu h ASP 72 Cb 1.04 -0.11 0.02 0.00 -0.83 0.00 0.00 39.33 39.45 1mdu h ASP 72 CO -0.36 0.33 -0.83 -0.33 -1.03 0.00 0.00 179.24 177.03 1mdu h GLU 73 N 0.55 0.36 -0.21 4.15 5.08 -0.86 -1.53 114.58 122.12 1mdu h GLU 73 Ca 0.18 -0.54 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1mdu h GLU 73 Cb 0.05 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1mdu h GLU 73 CO -0.04 1.23 -0.19 0.66 -1.00 0.00 0.00 179.01 179.67 1mdu h SER 74 N -0.23 0.36 -0.17 1.42 4.64 -1.30 0.07 113.55 118.33 1mdu h SER 74 Ca -0.14 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1mdu h SER 74 Cb 1.61 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1mdu h SER 74 CO 0.16 0.57 -0.02 1.23 -0.87 0.00 0.00 176.83 177.90 1mdu h GLY 75 N 0.93 0.34 0.99 -0.77 0.00 -0.76 -2.31 103.07 101.50 1mdu h GLY 75 Ca 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1mdu h GLY 75 CO 0.04 0.24 0.17 0.00 0.00 0.00 0.00 176.54 176.99 1mdu h ALA 76 N 0.75 0.71 -0.86 3.60 0.00 -1.01 -0.81 119.26 121.64 1mdu h ALA 76 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1mdu h ALA 76 Cb 0.42 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1mdu h ALA 76 CO 0.01 0.37 0.55 0.00 0.00 0.00 0.00 179.25 180.18 1mdu h ALA 77 N 1.04 1.14 -0.32 0.00 0.00 -0.96 0.46 119.26 120.61 1mdu h ALA 77 Ca 0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1mdu h ALA 77 Cb 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mdu h ALA 77 CO -0.01 0.37 -0.35 0.00 0.00 0.00 0.00 179.25 179.26 1mdu h ALA 78 N 1.36 0.47 -0.47 0.00 0.00 -1.10 -2.06 119.26 117.47 1mdu h ALA 78 Ca 0.35 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1mdu h ALA 78 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1mdu h ALA 78 CO -0.13 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.48 1mdu h ILE 79 N 0.58 1.26 -0.96 0.00 2.04 -0.53 -2.82 117.51 117.07 1mdu h ILE 79 Ca 0.05 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1mdu h ILE 79 Cb 0.93 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1mdu h ILE 79 CO 0.09 0.37 0.63 -0.26 0.00 0.00 0.00 178.15 178.98 1mdu h PHE 80 N 0.68 1.21 -0.43 1.37 0.05 -0.07 -1.77 116.94 117.99 1mdu h PHE 80 Ca 0.13 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.95 1mdu h PHE 80 Cb 0.52 -0.41 -0.02 0.00 2.00 0.00 0.00 35.95 38.03 1mdu h PHE 80 CO 0.04 0.77 0.27 1.15 -0.18 0.00 0.00 178.31 180.36 1mdu h THR 81 N 1.31 1.13 0.13 -1.55 2.02 -1.24 0.67 112.91 115.38 1mdu h THR 81 Ca 0.35 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1mdu h THR 81 Cb -0.15 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1mdu h THR 81 CO -0.08 0.13 -0.08 0.58 0.37 0.00 0.00 175.52 176.45 1mdu h VAL 82 N 0.58 0.84 -0.61 3.16 2.07 -1.22 -0.51 116.25 120.56 1mdu h VAL 82 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1mdu h VAL 82 Cb -0.03 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1mdu h VAL 82 CO -0.03 0.00 0.36 1.56 0.02 0.00 0.00 177.57 179.48 1mdu h GLN 83 N -0.20 0.68 -0.69 1.57 4.20 -1.10 0.16 115.11 119.74 1mdu h GLN 83 Ca -0.01 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1mdu h GLN 83 Cb 0.16 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1mdu h GLN 83 CO 0.02 0.45 0.16 1.25 -0.67 0.00 0.00 178.83 180.04 1mdu h LEU 84 N 0.71 1.04 -0.58 1.46 5.85 -0.75 0.56 115.31 123.59 1mdu h LEU 84 Ca 0.25 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1mdu h LEU 84 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1mdu h LEU 84 CO -0.12 1.00 0.13 -0.78 -0.34 0.00 0.00 178.44 178.33 1mdu h ASP 85 N 1.04 0.88 -0.70 1.25 1.82 -0.19 -1.58 116.42 118.94 1mdu h ASP 85 Ca 0.22 -0.24 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 1mdu h ASP 85 Cb 0.37 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.12 1mdu h ASP 85 CO 0.00 0.89 0.24 0.44 -1.61 0.00 0.00 179.24 179.21 1mdu h ASP 86 N 0.83 1.00 0.02 2.28 3.32 -0.28 0.91 116.42 124.51 1mdu h ASP 86 Ca 0.18 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1mdu h ASP 86 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1mdu h ASP 86 CO 0.00 0.93 -0.05 0.22 -1.72 0.00 0.00 179.24 178.62 1mdu h TYR 87 N 1.02 0.10 -0.58 4.55 3.20 -0.59 -0.42 116.97 124.25 1mdu h TYR 87 Ca 0.23 -0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.78 1mdu h TYR 87 Cb 0.27 -0.03 -0.18 0.00 1.54 0.00 0.00 36.73 38.33 1mdu h TYR 87 CO 0.02 0.16 0.40 1.28 -1.64 0.00 0.00 178.16 178.38 1mdu n LEU 88 N -4.41 5.41 -2.09 2.82 4.77 -0.61 -4.82 117.00 118.07 1mdu n LEU 88 Ca -0.02 -2.84 -0.18 0.00 -0.03 0.00 0.00 56.01 52.95 1mdu n LEU 88 Cb 0.17 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1mdu n LEU 88 CO 0.36 0.89 -0.21 0.59 -1.33 0.00 0.00 177.39 177.69 1mdu n ASN 89 N -0.37 -4.99 0.00 -1.43 5.03 -0.17 -1.70 115.26 111.63 1mdu n ASN 89 Ca 0.35 0.20 0.00 0.00 0.87 0.00 0.00 54.58 56.00 1mdu n ASN 89 Cb 1.09 -4.29 0.00 0.00 -1.02 0.00 0.00 39.78 35.56 1mdu n ASN 89 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mdu n GLY 90 N -0.72 0.34 0.18 7.41 0.00 0.31 -4.89 105.19 107.82 1mdu n GLY 90 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1mdu n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mdu h ARG 91 N 0.81 0.00 -7.04 1.61 3.08 -1.48 -3.45 114.38 107.91 1mdu h ARG 91 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1mdu h ARG 91 Cb 0.35 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.42 1mdu h ARG 91 CO 0.00 0.00 0.40 0.00 -1.07 0.00 0.00 179.97 179.30 1mdu s ALA 92 N -3.38 2.93 -0.19 0.04 0.00 -1.26 -4.59 121.76 115.32 1mdu s ALA 92 Ca 0.05 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 1mdu s ALA 92 Cb 0.09 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1mdu s ALA 92 CO 0.49 -0.32 0.14 0.08 0.00 0.00 0.00 175.76 176.15 1mdu s VAL 93 N -1.85 5.41 0.00 0.00 1.01 -1.02 -4.92 120.40 119.03 1mdu s VAL 93 Ca 0.64 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 1mdu s VAL 93 Cb -0.19 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1mdu s VAL 93 CO 0.23 0.46 0.32 -1.10 0.00 0.00 0.00 175.10 175.01 1mdu s GLN 94 N 0.22 3.70 -0.04 2.72 -0.21 -1.26 -0.33 119.66 124.45 1mdu s GLN 94 Ca 0.09 0.12 -0.00 0.00 0.02 0.00 0.00 55.36 55.59 1mdu s GLN 94 Cb -0.11 -3.12 0.03 0.00 1.00 0.00 0.00 33.01 30.81 1mdu s GLN 94 CO -0.01 0.66 0.02 -1.01 -2.12 0.00 0.00 175.29 172.83 1mdu s HIS 95 N -1.22 0.32 -0.13 0.91 3.76 0.12 -4.94 115.29 114.12 1mdu s HIS 95 Ca 0.26 0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 54.99 1mdu s HIS 95 Cb -0.14 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.02 1mdu s HIS 95 CO 0.14 -0.18 0.61 0.50 -0.85 0.00 0.00 174.74 174.96 1mdu s ARG 96 N 1.47 4.33 -0.12 1.40 3.52 -1.26 -1.79 118.95 126.50 1mdu s ARG 96 Ca -0.04 0.67 0.03 0.00 -0.13 0.00 0.00 55.73 56.26 1mdu s ARG 96 Cb -0.13 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1mdu s ARG 96 CO -0.03 -0.01 -0.22 -1.21 -0.81 0.00 0.00 175.30 173.02 1mdu s GLU 97 N 1.12 2.98 -0.08 5.12 0.41 -0.22 -4.90 118.70 123.13 1mdu s GLU 97 Ca 0.31 -0.84 0.01 0.00 -0.41 0.00 0.00 54.97 54.04 1mdu s GLU 97 Cb -0.16 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 1mdu s GLU 97 CO 0.13 0.05 -0.10 0.08 -0.49 0.00 0.00 175.26 174.93 1mdu s VAL 98 N 0.67 3.39 0.12 2.63 1.01 -1.26 -1.08 120.40 125.87 1mdu s VAL 98 Ca -0.11 -0.59 -0.35 0.00 0.00 0.00 0.00 61.98 60.93 1mdu s VAL 98 Cb -0.16 -2.38 -0.16 0.00 0.00 0.00 0.00 36.38 33.68 1mdu s VAL 98 CO 0.02 0.57 1.39 1.67 0.00 0.00 0.00 175.10 178.76 1mdu n GLN 99 N 2.58 1.47 0.00 2.72 7.27 -1.04 -0.89 117.38 129.50 1mdu n GLN 99 Ca -0.18 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1mdu n GLN 99 Cb 0.53 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1mdu n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1mdu n GLY 100 N 2.71 2.58 0.92 1.69 0.00 -1.26 -4.80 105.19 107.03 1mdu n GLY 100 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1mdu n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mdu n PHE 101 N -2.00 0.00 -1.53 1.61 3.01 -0.07 -5.11 117.46 113.37 1mdu n PHE 101 Ca 0.00 -0.64 -0.36 0.00 1.01 0.00 0.00 57.45 57.46 1mdu n PHE 101 Cb 0.00 -0.15 0.09 0.00 -0.01 0.00 0.00 39.48 39.41 1mdu n PHE 101 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1mdu s GLU 102 N -0.98 2.24 0.61 -1.08 8.01 -0.98 -4.62 118.70 121.90 1mdu s GLU 102 Ca 0.26 1.96 -0.17 0.00 0.01 0.00 0.00 54.97 57.04 1mdu s GLU 102 Cb 0.28 -1.82 -0.03 0.00 -4.31 0.00 0.00 34.13 28.25 1mdu s GLU 102 CO -0.09 -1.81 1.12 -1.54 0.01 0.00 0.00 175.26 172.95 1mdu s SER 103 N -1.65 5.40 0.18 -0.19 1.04 -1.26 -4.82 113.70 112.39 1mdu s SER 103 Ca 0.79 2.07 -0.15 0.00 0.48 0.00 0.00 55.95 59.14 1mdu s SER 103 Cb -0.35 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.36 1mdu s SER 103 CO 0.43 -1.44 1.68 0.00 0.98 0.00 0.00 173.24 174.89 1mdu h ALA 104 N 0.55 0.38 -0.31 5.32 0.00 -1.98 -0.64 119.26 122.58 1mdu h ALA 104 Ca -0.48 0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1mdu h ALA 104 Cb 1.25 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1mdu h ALA 104 CO 0.55 -0.41 -0.22 1.15 0.00 0.00 0.00 179.25 180.32 1mdu h THR 105 N 0.07 0.41 0.03 0.00 2.02 -1.98 0.34 112.91 113.79 1mdu h THR 105 Ca 0.22 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1mdu h THR 105 Cb 0.34 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1mdu h THR 105 CO -0.41 0.00 -0.11 0.15 0.37 0.00 0.00 175.52 175.52 1mdu h PHE 106 N -0.19 -0.27 -0.29 3.16 3.57 -1.72 -0.94 116.94 120.26 1mdu h PHE 106 Ca 0.16 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.74 1mdu h PHE 106 Cb 0.44 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1mdu h PHE 106 CO -0.41 -0.16 0.21 -0.07 -2.23 0.00 0.00 178.31 175.65 1mdu h LEU 107 N -0.20 0.04 -0.90 0.59 3.38 -0.60 -0.76 115.31 116.87 1mdu h LEU 107 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mdu h LEU 107 Cb 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1mdu h LEU 107 CO -0.08 0.02 0.00 1.23 0.09 0.00 0.00 178.44 179.70 1mdu h GLY 108 N 0.04 0.00 2.00 0.83 0.00 0.11 -2.76 103.07 103.29 1mdu h GLY 108 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1mdu h GLY 108 CO -0.01 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.56 1mdu h TYR 109 N 0.00 0.00 -3.50 5.60 0.05 -0.99 -3.40 116.97 114.73 1mdu h TYR 109 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 1mdu h TYR 109 Cb 0.33 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 37.70 1mdu h TYR 109 CO 0.00 0.00 -0.47 -0.06 -1.05 0.00 0.00 178.16 176.58 1mdu s PHE 110 N -3.19 3.37 0.14 4.88 0.40 -1.04 -4.99 117.98 117.55 1mdu s PHE 110 Ca 0.08 -2.85 -0.31 0.00 -0.60 0.00 0.00 56.93 53.25 1mdu s PHE 110 Cb 0.11 -3.08 -0.09 0.00 0.51 0.00 0.00 43.02 40.47 1mdu s PHE 110 CO 0.57 -0.83 1.53 0.87 0.70 0.00 0.00 175.22 178.06 1mdu h LYS 111 N 6.96 -0.19 -1.77 0.44 6.56 -1.83 0.13 116.57 126.86 1mdu h LYS 111 Ca -0.04 0.01 -0.17 0.00 -1.06 0.00 0.00 60.65 59.39 1mdu h LYS 111 Cb 0.94 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 32.58 1mdu h LYS 111 CO 0.70 -0.13 0.20 -1.13 -2.06 0.00 0.00 179.45 177.02 1mdu n SER 112 N -5.25 5.90 -1.15 0.86 3.41 -1.26 -4.99 113.62 111.14 1mdu n SER 112 Ca -0.01 -2.74 0.14 0.00 -0.26 0.00 0.00 58.87 56.00 1mdu n SER 112 Cb 0.29 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.10 1mdu n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mdu n GLY 113 N 0.97 -1.44 3.88 5.00 0.00 0.03 -4.89 105.19 108.74 1mdu n GLY 113 Ca 0.16 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1mdu n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mdu s LEU 114 N 0.00 4.39 -0.32 0.99 1.43 -1.26 -4.91 118.68 119.00 1mdu s LEU 114 Ca 0.00 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1mdu s LEU 114 Cb 0.00 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 44.03 1mdu s LEU 114 CO 0.00 0.36 0.02 -0.75 0.23 0.00 0.00 176.35 176.21 1mdu s LYS 115 N -1.30 2.09 -0.49 1.70 2.47 -0.06 -5.03 119.74 119.13 1mdu s LYS 115 Ca 0.19 -1.52 -0.23 0.00 -1.56 0.00 0.00 55.97 52.85 1mdu s LYS 115 Cb -0.12 -3.18 0.03 0.00 -1.46 0.00 0.00 37.83 33.10 1mdu s LYS 115 CO 0.09 -0.76 0.79 0.71 0.16 0.00 0.00 175.35 176.34 1mdu s TYR 116 N 1.11 2.95 -0.08 4.03 2.02 -1.26 -0.02 117.35 126.11 1mdu s TYR 116 Ca -0.00 -0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 1mdu s TYR 116 Cb -0.20 -3.73 -0.03 0.00 -0.40 0.00 0.00 41.96 37.59 1mdu s TYR 116 CO -0.04 -1.09 -0.02 -1.59 -1.57 0.00 0.00 175.55 171.24 1mdu s LYS 117 N 3.34 2.90 0.78 -0.62 -2.85 0.03 -4.87 119.74 118.46 1mdu s LYS 117 Ca 0.27 -0.46 -0.14 0.00 -1.00 0.00 0.00 55.97 54.64 1mdu s LYS 117 Cb -0.13 -2.73 0.06 0.00 -2.06 0.00 0.00 37.83 32.97 1mdu s LYS 117 CO 0.20 0.69 1.14 1.63 0.10 0.00 0.00 175.35 179.11 1mdu n LYS 118 N 2.12 0.30 0.00 1.78 4.01 -1.26 -0.67 118.16 124.45 1mdu n LYS 118 Ca -0.18 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1mdu n LYS 118 Cb 0.53 -2.39 0.00 0.00 -0.51 0.00 0.00 35.03 32.66 1mdu n LYS 118 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mdu n GLY 119 N 0.71 -1.59 0.00 0.72 0.00 -1.26 -4.72 105.19 99.05 1mdu n GLY 119 Ca 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1mdu n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mdu n GLY 120 N 0.00 0.56 3.81 -0.02 0.00 -1.26 -1.40 105.19 106.88 1mdu n GLY 120 Ca 0.00 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1mdu n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mdu s VAL 121 N -2.29 4.31 0.54 1.61 1.01 -1.26 -5.03 120.40 119.30 1mdu s VAL 121 Ca 0.00 1.55 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 1mdu s VAL 121 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1mdu s VAL 121 CO 0.00 -0.20 1.16 0.00 0.00 0.00 0.00 175.10 176.06 1mdu s ALA 122 N -2.03 2.71 0.59 5.51 0.00 -1.26 -4.90 121.76 122.38 1mdu s ALA 122 Ca 0.59 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 53.26 1mdu s ALA 122 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1mdu s ALA 122 CO 0.16 -0.86 1.10 0.45 0.00 0.00 0.00 175.76 176.61 1mdu n SER 123 N -1.21 1.36 -0.18 0.00 2.88 -1.26 -4.48 113.62 110.73 1mdu n SER 123 Ca 0.11 0.85 0.14 0.00 -1.33 0.00 0.00 58.87 58.65 1mdu n SER 123 Cb 0.50 -1.45 0.59 0.00 -0.75 0.00 0.00 64.21 63.10 1mdu n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mdu n GLY 124 N 1.12 -0.76 0.00 0.46 0.00 -1.26 -4.93 105.19 99.82 1mdu n GLY 124 Ca 0.13 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1mdu n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01