#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4x n GLU 4 N 0.00 3.56 -1.75 5.55 1.02 -1.26 -4.93 120.64 122.83 1d4x n GLU 4 Ca 0.00 -2.81 -0.42 0.00 -0.02 0.00 0.00 57.16 53.91 1d4x n GLU 4 Cb 0.00 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.53 1d4x n GLU 4 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1d4x s HIS 5 N -2.27 2.91 0.28 -0.32 2.46 -1.26 -4.88 115.29 112.22 1d4x s HIS 5 Ca 0.44 0.39 0.02 0.00 0.47 0.00 0.00 55.06 56.39 1d4x s HIS 5 Cb 0.32 -4.12 0.60 0.00 -0.13 0.00 0.00 32.58 29.25 1d4x s HIS 5 CO 0.16 -4.20 1.79 -1.35 -2.47 0.00 0.00 174.74 168.67 1d4x h PRO 6 N 6.67 0.78 -0.02 2.88 0.11 -1.99 -0.12 132.00 140.32 1d4x h PRO 6 Ca -0.43 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1d4x h PRO 6 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1d4x h PRO 6 CO 0.94 0.52 -0.34 0.93 -0.21 0.00 0.00 178.00 179.84 1d4x h GLU 7 N 0.80 0.03 -0.24 1.05 4.39 -1.91 -2.50 114.58 116.21 1d4x h GLU 7 Ca 0.51 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 60.06 1d4x h GLU 7 Cb 0.66 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1d4x h GLU 7 CO -0.33 0.37 -0.42 0.74 -1.16 0.00 0.00 179.01 178.20 1d4x h PHE 8 N 0.03 0.69 -0.06 4.33 -1.00 -1.40 -1.47 116.94 118.05 1d4x h PHE 8 Ca 0.00 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 1d4x h PHE 8 Cb 0.62 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1d4x h PHE 8 CO 0.00 0.90 -0.21 -0.07 -1.61 0.00 0.00 178.31 177.33 1d4x h LEU 9 N 0.47 0.09 0.00 1.54 3.38 -0.99 -2.65 115.31 117.15 1d4x h LEU 9 Ca 0.04 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1d4x h LEU 9 Cb 0.93 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1d4x h LEU 9 CO 0.08 0.31 -0.96 0.11 0.09 0.00 0.00 178.44 178.08 1d4x h LYS 10 N 0.09 0.00 -6.74 1.13 1.57 -1.26 -3.47 116.57 107.90 1d4x h LYS 10 Ca 0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 1d4x h LYS 10 Cb 0.42 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.80 1d4x h LYS 10 CO 0.03 0.68 0.92 0.00 -0.57 0.00 0.00 179.45 180.51 1d4x s ALA 11 N -2.81 3.80 -1.52 3.86 0.00 -0.58 -3.60 121.76 120.91 1d4x s ALA 11 Ca 0.01 1.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.49 1d4x s ALA 11 Cb 0.09 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1d4x s ALA 11 CO 0.79 -0.94 0.33 0.41 0.00 0.00 0.00 175.76 176.35 1d4x n GLY 12 N 2.80 -0.51 0.12 0.00 0.00 -1.26 -4.91 105.19 101.43 1d4x n GLY 12 Ca 0.11 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1d4x n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4x h LYS 13 N -0.73 0.36 -4.24 1.61 1.57 -1.90 -3.48 116.57 109.76 1d4x h LYS 13 Ca -0.47 -0.61 -0.14 0.00 -1.87 0.00 0.00 60.65 57.56 1d4x h LYS 13 Cb 1.33 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 33.72 1d4x h LYS 13 CO 0.54 1.29 -0.62 -1.83 -0.57 0.00 0.00 179.45 178.26 1d4x s GLU 14 N -2.64 0.77 0.44 3.15 -1.05 -1.26 -5.06 118.70 113.05 1d4x s GLU 14 Ca -0.06 -1.26 -0.24 0.00 -0.15 0.00 0.00 54.97 53.26 1d4x s GLU 14 Cb 0.06 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.90 1d4x s GLU 14 CO 0.90 -0.19 1.09 -2.30 0.95 0.00 0.00 175.26 175.70 1d4x n PRO 15 N 0.01 1.47 -1.14 -4.83 -0.02 -1.26 -4.73 135.00 124.49 1d4x n PRO 15 Ca -0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1d4x n PRO 15 Cb 0.62 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1d4x n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4x n GLY 16 N 1.08 0.36 3.20 -1.23 0.00 0.93 -4.94 105.19 104.59 1d4x n GLY 16 Ca 0.09 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1d4x n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d4x s LEU 17 N 0.00 2.00 -0.04 0.99 2.96 -1.26 -0.23 118.68 123.10 1d4x s LEU 17 Ca 0.00 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1d4x s LEU 17 Cb 0.00 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.45 1d4x s LEU 17 CO 0.00 0.18 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.97 1d4x s GLN 18 N 0.08 1.58 -0.05 1.98 -0.21 0.21 -5.00 119.66 118.25 1d4x s GLN 18 Ca -0.08 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 54.81 1d4x s GLN 18 Cb -0.14 -1.38 0.01 0.00 1.00 0.00 0.00 33.01 32.50 1d4x s GLN 18 CO 0.05 0.18 -0.10 0.42 -2.12 0.00 0.00 175.29 173.71 1d4x s ILE 19 N 0.18 0.92 0.15 1.08 1.01 -1.26 -0.27 121.20 123.02 1d4x s ILE 19 Ca -0.06 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1d4x s ILE 19 Cb -0.12 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1d4x s ILE 19 CO 0.02 0.30 -0.17 0.26 0.00 0.00 0.00 174.94 175.36 1d4x s TRP 20 N 0.58 1.68 0.00 3.97 0.51 0.04 -1.17 118.94 124.55 1d4x s TRP 20 Ca -0.11 -0.51 0.07 0.00 -2.12 0.00 0.00 56.10 53.43 1d4x s TRP 20 Cb -0.14 -0.84 -0.03 0.00 -0.81 0.00 0.00 33.47 31.65 1d4x s TRP 20 CO 0.02 0.27 -0.20 0.50 -0.51 0.00 0.00 176.95 177.03 1d4x s ARG 21 N -2.82 2.16 -0.13 4.98 3.52 0.24 -1.07 118.95 125.83 1d4x s ARG 21 Ca 0.14 -0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 1d4x s ARG 21 Cb -0.05 -2.17 -0.02 0.00 -1.56 0.00 0.00 34.95 31.15 1d4x s ARG 21 CO 0.05 0.56 1.15 0.08 -0.81 0.00 0.00 175.30 176.34 1d4x s VAL 22 N -0.78 4.44 -0.21 7.11 1.01 -0.53 -0.84 120.40 130.61 1d4x s VAL 22 Ca 0.12 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1d4x s VAL 22 Cb -0.10 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1d4x s VAL 22 CO 0.02 -0.07 0.03 -1.61 0.00 0.00 0.00 175.10 173.47 1d4x s GLU 23 N 2.70 0.75 -1.12 2.72 2.02 -0.20 -4.69 118.70 120.88 1d4x s GLU 23 Ca 0.52 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.71 1d4x s GLU 23 Cb -0.21 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 31.91 1d4x s GLU 23 CO 0.16 -0.68 0.71 1.63 0.02 0.00 0.00 175.26 177.10 1d4x n LYS 24 N 4.99 -0.75 -1.12 1.61 4.76 -1.26 -1.80 118.16 124.58 1d4x n LYS 24 Ca -0.09 0.33 -0.04 0.00 -2.87 0.00 0.00 58.31 55.64 1d4x n LYS 24 Cb 0.46 -3.06 -0.02 0.00 -1.84 0.00 0.00 35.03 30.57 1d4x n LYS 24 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1d4x n PHE 25 N -4.34 0.00 -4.35 2.13 3.01 -1.26 -4.97 117.46 107.68 1d4x n PHE 25 Ca -0.13 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.14 1d4x n PHE 25 Cb 0.59 -1.48 -0.10 0.00 -0.01 0.00 0.00 39.48 38.48 1d4x n PHE 25 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1d4x s ASP 26 N -2.33 2.53 -0.42 4.37 2.15 -0.75 -5.11 116.67 117.11 1d4x s ASP 26 Ca 0.00 -1.04 -0.14 0.00 0.43 0.00 0.00 52.55 51.80 1d4x s ASP 26 Cb 0.00 -0.13 0.04 0.00 -0.30 0.00 0.00 42.92 42.53 1d4x s ASP 26 CO 0.00 -0.20 0.31 -0.22 -0.17 0.00 0.00 175.17 174.89 1d4x s LEU 27 N -3.32 5.19 -0.16 -1.34 2.96 -1.26 -1.03 118.68 119.72 1d4x s LEU 27 Ca 0.23 -1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1d4x s LEU 27 Cb -0.00 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1d4x s LEU 27 CO 0.07 -0.50 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.85 1d4x s VAL 28 N 1.63 3.67 0.48 1.68 1.01 -0.02 -4.92 120.40 123.93 1d4x s VAL 28 Ca 0.04 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1d4x s VAL 28 Cb -0.21 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 1d4x s VAL 28 CO 0.08 0.49 1.32 -2.16 0.00 0.00 0.00 175.10 174.83 1d4x s PRO 29 N 0.48 3.55 -0.11 2.72 0.04 -1.26 0.79 135.00 141.20 1d4x s PRO 29 Ca -0.05 2.16 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1d4x s PRO 29 Cb -0.15 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1d4x s PRO 29 CO 0.03 -0.84 0.35 0.08 0.04 0.00 0.00 177.00 176.66 1d4x s VAL 30 N -1.32 5.23 0.28 -0.36 1.01 -0.31 -4.73 120.40 120.20 1d4x s VAL 30 Ca 0.65 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 1d4x s VAL 30 Cb -0.38 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 1d4x s VAL 30 CO 0.47 0.43 1.45 -2.65 0.00 0.00 0.00 175.10 174.80 1d4x n PRO 31 N 3.09 2.30 -0.19 2.72 -0.02 -1.26 -4.83 135.00 136.81 1d4x n PRO 31 Ca -0.12 0.82 0.18 0.00 -2.02 0.00 0.00 63.50 62.36 1d4x n PRO 31 Cb 0.52 -2.50 0.54 0.00 -0.02 0.00 0.00 33.50 32.04 1d4x n PRO 31 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1d4x h THR 32 N 3.04 0.72 0.00 3.45 1.35 -1.96 0.42 112.91 119.93 1d4x h THR 32 Ca -0.46 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1d4x h THR 32 Cb 1.26 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1d4x h THR 32 CO 0.74 0.06 0.00 -0.55 -0.25 0.00 0.00 175.52 175.52 1d4x h ASN 33 N 0.35 0.00 -0.33 5.36 7.08 -2.05 -2.41 115.58 123.58 1d4x h ASN 33 Ca 0.41 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.63 1d4x h ASN 33 Cb 1.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 1d4x h ASN 33 CO -0.13 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.40 1d4x n LEU 34 N -2.98 3.24 -4.70 6.14 4.77 0.13 -4.98 117.00 118.62 1d4x n LEU 34 Ca -0.02 -1.49 -0.43 0.00 -0.03 0.00 0.00 56.01 54.05 1d4x n LEU 34 Cb 0.14 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1d4x n LEU 34 CO 0.21 0.70 1.40 -1.22 -1.33 0.00 0.00 177.39 177.15 1d4x n TYR 35 N 1.30 2.65 0.00 -1.77 4.02 -0.91 -1.97 117.16 120.48 1d4x n TYR 35 Ca 0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1d4x n TYR 35 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 39.34 37.19 1d4x n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1d4x n GLY 36 N 4.04 1.28 3.28 2.72 0.00 -1.26 -5.02 105.19 110.23 1d4x n GLY 36 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1d4x n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d4x s ASP 37 N -1.66 6.25 -0.24 1.61 1.11 -0.83 0.16 116.67 123.07 1d4x s ASP 37 Ca 0.00 -2.31 -0.15 0.00 0.18 0.00 0.00 52.55 50.27 1d4x s ASP 37 Cb 0.00 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 1d4x s ASP 37 CO 0.00 -0.66 0.35 -0.36 1.18 0.00 0.00 175.17 175.68 1d4x s PHE 38 N 0.77 3.31 0.02 4.23 0.40 0.54 -4.93 117.98 122.32 1d4x s PHE 38 Ca 0.11 0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 56.59 1d4x s PHE 38 Cb -0.20 -2.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.77 1d4x s PHE 38 CO -0.03 -0.10 1.31 -0.06 0.70 0.00 0.00 175.22 177.03 1d4x s PHE 39 N 1.62 3.14 -0.87 0.36 0.40 -1.25 -0.95 117.98 120.42 1d4x s PHE 39 Ca 0.15 1.05 0.21 0.00 -0.60 0.00 0.00 56.93 57.73 1d4x s PHE 39 Cb -0.15 -3.55 0.85 0.00 0.51 0.00 0.00 43.02 40.67 1d4x s PHE 39 CO 0.08 -1.90 1.65 0.25 0.70 0.00 0.00 175.22 176.00 1d4x n THR 40 N 4.34 0.71 -0.24 0.64 -2.24 -0.11 -2.24 114.28 115.15 1d4x n THR 40 Ca 0.11 0.14 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1d4x n THR 40 Cb 0.45 -0.89 0.30 0.00 -2.10 0.00 0.00 70.33 68.09 1d4x n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4x n GLY 41 N 0.44 2.26 3.48 3.38 0.00 -0.15 -0.60 105.19 114.01 1d4x n GLY 41 Ca 0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1d4x n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d4x s ASP 42 N -0.86 2.56 0.04 1.61 -0.00 -0.95 -3.85 116.67 115.22 1d4x s ASP 42 Ca 0.44 -1.50 0.06 0.00 -0.00 0.00 0.00 52.55 51.55 1d4x s ASP 42 Cb 0.27 0.16 -0.02 0.00 -0.00 0.00 0.00 42.92 43.33 1d4x s ASP 42 CO 0.22 -0.74 -0.17 0.00 -0.00 0.00 0.00 175.17 174.48 1d4x s ALA 43 N -3.26 1.45 0.15 5.23 0.00 -1.26 -1.09 121.76 122.97 1d4x s ALA 43 Ca 0.31 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1d4x s ALA 43 Cb 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1d4x s ALA 43 CO 0.14 0.31 -0.05 0.71 0.00 0.00 0.00 175.76 176.87 1d4x s TYR 44 N -0.79 1.19 -0.11 0.00 1.51 -0.08 -1.45 117.35 117.61 1d4x s TYR 44 Ca 0.05 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 1d4x s TYR 44 Cb -0.08 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1d4x s TYR 44 CO 0.01 -0.06 -0.14 0.08 -1.11 0.00 0.00 175.55 174.33 1d4x s VAL 45 N -3.50 1.43 -0.12 0.71 1.01 -0.23 -0.73 120.40 118.97 1d4x s VAL 45 Ca 0.19 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1d4x s VAL 45 Cb 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1d4x s VAL 45 CO 0.01 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.70 1d4x s ILE 46 N 1.13 2.22 -0.21 2.22 1.09 0.83 -0.78 121.20 127.70 1d4x s ILE 46 Ca -0.04 -0.94 -0.01 0.00 -1.10 0.00 0.00 60.65 58.56 1d4x s ILE 46 Cb -0.14 -1.88 0.02 0.00 -1.06 0.00 0.00 42.46 39.39 1d4x s ILE 46 CO -0.03 0.55 -0.12 -0.22 -0.10 0.00 0.00 174.94 175.02 1d4x s LEU 47 N 0.58 2.69 -0.34 2.97 2.96 0.63 -0.47 118.68 127.70 1d4x s LEU 47 Ca -0.12 -0.68 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 1d4x s LEU 47 Cb -0.17 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1d4x s LEU 47 CO 0.03 -0.05 0.17 -0.75 -1.32 0.00 0.00 176.35 174.43 1d4x s LYS 48 N 1.34 3.05 -0.24 1.98 2.47 -0.55 -0.62 119.74 127.17 1d4x s LYS 48 Ca 0.03 -0.91 -0.09 0.00 -1.56 0.00 0.00 55.97 53.44 1d4x s LYS 48 Cb -0.15 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.57 1d4x s LYS 48 CO -0.08 -0.56 0.11 0.99 0.16 0.00 0.00 175.35 175.98 1d4x s THR 49 N 1.56 4.83 -0.10 3.43 2.01 0.68 -2.35 115.64 125.71 1d4x s THR 49 Ca 0.03 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1d4x s THR 49 Cb -0.18 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1d4x s THR 49 CO 0.06 0.35 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.42 1d4x s VAL 50 N 1.25 2.14 0.26 3.82 1.01 -0.40 -0.05 120.40 128.43 1d4x s VAL 50 Ca 0.06 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1d4x s VAL 50 Cb -0.14 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 1d4x s VAL 50 CO 0.05 0.56 1.35 -1.58 0.00 0.00 0.00 175.10 175.47 1d4x s GLN 51 N 0.35 4.34 0.04 2.72 2.00 -1.26 0.20 119.66 128.06 1d4x s GLN 51 Ca -0.18 2.19 0.03 0.00 -2.00 0.00 0.00 55.36 55.40 1d4x s GLN 51 Cb -0.18 -3.13 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 1d4x s GLN 51 CO 0.08 -0.28 0.00 -0.51 -0.50 0.00 0.00 175.29 174.09 1d4x s LEU 52 N -0.76 3.51 0.46 3.68 1.43 -0.73 -4.78 118.68 121.48 1d4x s LEU 52 Ca 0.55 -0.08 0.19 0.00 -1.03 0.00 0.00 54.13 53.76 1d4x s LEU 52 Cb -0.39 -2.12 1.17 0.00 0.03 0.00 0.00 46.19 44.87 1d4x s LEU 52 CO 0.45 0.23 1.94 0.08 0.23 0.00 0.00 176.35 179.27 1d4x h ARG 53 N 3.89 0.27 0.00 1.70 -0.00 -1.96 0.15 114.38 118.43 1d4x h ARG 53 Ca -0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1d4x h ARG 53 Cb 1.17 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.08 1d4x h ARG 53 CO 0.59 0.18 0.00 -0.91 -0.00 0.00 0.00 179.97 179.83 1d4x h ASN 54 N 0.28 0.00 0.00 0.08 -0.26 -2.03 -3.47 115.58 110.19 1d4x h ASN 54 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1d4x h ASN 54 Cb 0.96 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 1d4x h ASN 54 CO -0.08 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.90 1d4x n GLY 55 N -0.03 2.61 3.80 2.83 0.00 0.54 -5.10 105.19 109.85 1d4x n GLY 55 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1d4x n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4x s ASN 56 N -0.16 5.88 0.14 1.61 2.20 -1.26 -4.61 114.94 118.73 1d4x s ASN 56 Ca 0.00 1.81 -0.13 0.00 -0.94 0.00 0.00 52.86 53.61 1d4x s ASN 56 Cb 0.00 -2.53 -0.07 0.00 -2.00 0.00 0.00 41.25 36.65 1d4x s ASN 56 CO 0.00 -1.10 0.51 -0.76 -2.94 0.00 0.00 177.10 172.81 1d4x s LEU 57 N -4.39 4.33 0.10 3.54 1.43 -1.26 -1.78 118.68 120.65 1d4x s LEU 57 Ca 0.64 1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 54.57 1d4x s LEU 57 Cb -0.16 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.77 1d4x s LEU 57 CO 0.35 0.11 0.55 -1.58 0.23 0.00 0.00 176.35 176.01 1d4x s GLN 58 N -2.01 4.08 -0.02 1.70 0.74 0.53 -4.91 119.66 119.77 1d4x s GLN 58 Ca 0.37 0.61 0.04 0.00 0.05 0.00 0.00 55.36 56.43 1d4x s GLN 58 Cb -0.14 -3.09 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 1d4x s GLN 58 CO 0.19 0.57 -0.15 0.71 -0.55 0.00 0.00 175.29 176.06 1d4x s TYR 59 N -1.28 1.41 -0.06 1.67 4.12 -1.26 -1.27 117.35 120.68 1d4x s TYR 59 Ca 0.33 -0.33 -0.01 0.00 0.02 0.00 0.00 57.07 57.08 1d4x s TYR 59 Cb -0.17 -0.94 0.03 0.00 -1.52 0.00 0.00 41.96 39.36 1d4x s TYR 59 CO 0.19 -0.08 0.02 -0.51 0.02 0.00 0.00 175.55 175.19 1d4x s ASP 60 N -0.15 1.42 -0.17 2.29 1.01 -0.99 -2.11 116.67 117.98 1d4x s ASP 60 Ca 0.02 -0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.20 1d4x s ASP 60 Cb -0.08 -0.34 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 1d4x s ASP 60 CO 0.00 -0.21 -0.01 -0.76 0.21 0.00 0.00 175.17 174.40 1d4x s LEU 61 N 2.01 3.37 -0.09 1.23 1.43 0.57 -1.48 118.68 125.71 1d4x s LEU 61 Ca 0.05 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1d4x s LEU 61 Cb -0.12 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1d4x s LEU 61 CO -0.04 0.16 -0.18 -1.00 0.23 0.00 0.00 176.35 175.51 1d4x s HIS 62 N 0.45 2.07 -0.25 0.29 3.76 0.38 0.04 115.29 122.03 1d4x s HIS 62 Ca -0.02 -0.85 -0.05 0.00 -0.15 0.00 0.00 55.06 53.99 1d4x s HIS 62 Cb -0.14 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.11 1d4x s HIS 62 CO 0.02 -0.38 0.01 1.52 -0.85 0.00 0.00 174.74 175.06 1d4x s TYR 63 N 0.58 3.05 -0.20 1.40 -0.85 -0.46 -0.12 117.35 120.75 1d4x s TYR 63 Ca -0.15 -0.92 -0.13 0.00 -0.52 0.00 0.00 57.07 55.35 1d4x s TYR 63 Cb -0.17 -2.17 -0.05 0.00 0.38 0.00 0.00 41.96 39.96 1d4x s TYR 63 CO 0.05 -0.54 0.27 -0.46 -1.52 0.00 0.00 175.55 173.35 1d4x s TRP 64 N 1.49 3.38 -0.28 -3.49 -0.00 0.09 -0.97 118.94 119.17 1d4x s TRP 64 Ca 0.04 0.46 -0.04 0.00 -0.00 0.00 0.00 56.10 56.56 1d4x s TRP 64 Cb -0.16 -2.36 0.02 0.00 -0.00 0.00 0.00 33.47 30.98 1d4x s TRP 64 CO -0.00 0.11 0.02 -0.51 -0.00 0.00 0.00 176.95 176.57 1d4x s LEU 65 N 0.92 3.66 0.46 5.86 1.43 0.25 -0.91 118.68 130.35 1d4x s LEU 65 Ca 0.14 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.14 1d4x s LEU 65 Cb -0.13 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 1d4x s LEU 65 CO 0.05 -0.19 1.17 -0.83 0.23 0.00 0.00 176.35 176.78 1d4x s GLY 66 N 1.40 2.78 0.55 -3.19 0.00 -0.25 -2.01 107.32 106.60 1d4x s GLY 66 Ca 0.00 0.94 0.26 0.00 0.00 0.00 0.00 44.72 45.93 1d4x s GLY 66 CO -0.00 1.40 2.00 -0.57 0.00 0.00 0.00 173.10 175.93 1d4x h ASN 67 N 2.02 0.00 -0.38 1.64 -1.24 -1.75 -2.13 115.58 113.75 1d4x h ASN 67 Ca -0.49 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1d4x h ASN 67 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1d4x h ASN 67 CO 0.60 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 176.12 1d4x n GLU 68 N -4.21 2.91 -2.24 6.67 4.71 0.23 -5.02 120.64 123.69 1d4x n GLU 68 Ca 0.08 -2.23 -0.35 0.00 -0.01 0.00 0.00 57.16 54.64 1d4x n GLU 68 Cb 0.56 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.60 1d4x n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1d4x s SER 70 N -1.68 5.26 0.31 0.00 1.04 -1.26 -4.85 113.70 112.52 1d4x s SER 70 Ca 0.71 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.91 1d4x s SER 70 Cb -0.25 -1.54 0.68 0.00 0.10 0.00 0.00 66.02 65.01 1d4x s SER 70 CO 0.29 -1.33 1.84 -0.61 0.98 0.00 0.00 173.24 174.41 1d4x h GLN 71 N -0.44 0.83 -0.16 4.02 4.15 -1.99 -0.38 115.11 121.14 1d4x h GLN 71 Ca -0.45 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 58.82 1d4x h GLN 71 Cb 1.28 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1d4x h GLN 71 CO 0.61 0.55 -0.35 0.38 -1.93 0.00 0.00 178.83 178.10 1d4x h ASP 72 N 0.85 0.33 -0.04 -0.69 2.03 -1.98 -0.14 116.42 116.80 1d4x h ASP 72 Ca 0.49 -0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 56.65 1d4x h ASP 72 Cb 0.64 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1d4x h ASP 72 CO -0.26 0.66 -0.05 -0.33 -1.03 0.00 0.00 179.24 178.23 1d4x h GLU 73 N 0.28 0.10 -0.32 4.15 5.08 -1.47 -0.92 114.58 121.49 1d4x h GLU 73 Ca 0.03 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1d4x h GLU 73 Cb 0.75 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1d4x h GLU 73 CO 0.06 0.61 -0.31 0.66 -1.00 0.00 0.00 179.01 179.03 1d4x h SER 74 N -0.40 0.71 -0.45 1.42 4.64 -1.36 -1.18 113.55 116.93 1d4x h SER 74 Ca 0.00 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1d4x h SER 74 Cb 0.60 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1d4x h SER 74 CO 0.01 0.97 0.13 1.23 -0.87 0.00 0.00 176.83 178.30 1d4x h GLY 75 N 0.99 0.75 0.97 -0.77 0.00 -1.06 -2.13 103.07 101.82 1d4x h GLY 75 Ca 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1d4x h GLY 75 CO 0.07 0.42 0.15 0.00 0.00 0.00 0.00 176.54 177.18 1d4x h ALA 76 N 0.99 0.64 -0.67 3.60 0.00 -1.03 -1.70 119.26 121.08 1d4x h ALA 76 Ca 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1d4x h ALA 76 Cb 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1d4x h ALA 76 CO -0.00 0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.96 1d4x h ALA 77 N 1.01 0.88 -0.38 0.00 0.00 -1.10 0.23 119.26 119.90 1d4x h ALA 77 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1d4x h ALA 77 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1d4x h ALA 77 CO -0.00 0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.49 1d4x h ALA 78 N 1.30 0.50 -0.43 0.00 0.00 -1.20 -2.05 119.26 117.39 1d4x h ALA 78 Ca 0.28 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1d4x h ALA 78 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1d4x h ALA 78 CO -0.12 0.18 -0.19 0.82 0.00 0.00 0.00 179.25 179.94 1d4x h ILE 79 N 0.46 1.28 -0.47 0.00 2.04 -0.79 -2.42 117.51 117.60 1d4x h ILE 79 Ca 0.12 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1d4x h ILE 79 Cb 0.32 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1d4x h ILE 79 CO 0.00 0.45 0.26 -0.26 0.00 0.00 0.00 178.15 178.61 1d4x h PHE 80 N 0.70 0.63 -0.55 1.37 0.05 -0.53 -0.90 116.94 117.71 1d4x h PHE 80 Ca 0.10 -0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.85 1d4x h PHE 80 Cb 0.75 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.47 1d4x h PHE 80 CO 0.06 0.44 0.22 1.15 -0.18 0.00 0.00 178.31 180.00 1d4x h THR 81 N 0.66 1.22 -0.51 -1.55 2.02 -1.01 0.97 112.91 114.70 1d4x h THR 81 Ca 0.17 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1d4x h THR 81 Cb 0.01 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1d4x h THR 81 CO -0.03 0.26 0.03 0.58 0.37 0.00 0.00 175.52 176.74 1d4x h VAL 82 N 0.76 1.26 -0.71 3.16 2.07 -0.92 -1.47 116.25 120.40 1d4x h VAL 82 Ca 0.19 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1d4x h VAL 82 Cb 0.20 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1d4x h VAL 82 CO -0.02 0.36 0.17 1.56 0.02 0.00 0.00 177.57 179.66 1d4x h GLN 83 N 0.75 1.14 -0.35 1.57 4.20 -0.85 -0.43 115.11 121.14 1d4x h GLN 83 Ca 0.15 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 1d4x h GLN 83 Cb 0.47 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1d4x h GLN 83 CO 0.02 1.01 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.76 1d4x h LEU 84 N 1.08 0.84 -0.11 1.46 3.38 -0.72 0.42 115.31 121.65 1d4x h LEU 84 Ca 0.22 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1d4x h LEU 84 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1d4x h LEU 84 CO 0.00 1.11 0.07 -0.78 0.09 0.00 0.00 178.44 178.93 1d4x h ASP 85 N 0.66 0.14 -0.52 -0.43 1.82 -0.98 -0.48 116.42 116.62 1d4x h ASP 85 Ca 0.06 -0.04 0.05 0.00 -0.39 0.00 0.00 57.03 56.72 1d4x h ASP 85 Cb 0.91 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.83 1d4x h ASP 85 CO 0.08 0.13 0.24 0.44 -1.61 0.00 0.00 179.24 178.53 1d4x h ASP 86 N 0.13 0.32 -0.64 2.28 3.32 -0.89 0.28 116.42 121.22 1d4x h ASP 86 Ca 0.04 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1d4x h ASP 86 Cb 0.02 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1d4x h ASP 86 CO -0.01 0.22 0.40 0.22 -1.72 0.00 0.00 179.24 178.35 1d4x h TYR 87 N 0.47 0.83 -0.48 4.55 3.20 -0.57 -2.00 116.97 122.98 1d4x h TYR 87 Ca 0.24 0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.85 1d4x h TYR 87 Cb 0.19 -0.28 -0.15 0.00 1.54 0.00 0.00 36.73 38.03 1d4x h TYR 87 CO -0.12 0.54 0.34 1.28 -1.64 0.00 0.00 178.16 178.56 1d4x n LEU 88 N -4.42 5.14 -3.00 2.82 4.77 -0.22 -4.86 117.00 117.24 1d4x n LEU 88 Ca 0.06 -2.67 -0.20 0.00 -0.03 0.00 0.00 56.01 53.18 1d4x n LEU 88 Cb 0.06 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1d4x n LEU 88 CO 0.36 0.86 -0.07 0.59 -1.33 0.00 0.00 177.39 177.80 1d4x n ASN 89 N -0.15 -4.27 -1.50 -1.43 3.02 -0.75 -1.68 115.26 108.50 1d4x n ASN 89 Ca 0.29 -0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.50 1d4x n ASN 89 Cb 0.96 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 36.55 1d4x n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d4x n GLY 90 N -1.13 0.58 0.12 7.41 0.00 0.88 -4.90 105.19 108.15 1d4x n GLY 90 Ca -0.08 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.81 1d4x n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4x n ARG 91 N -2.52 0.47 -3.40 1.61 5.12 -0.67 -4.92 116.66 112.35 1d4x n ARG 91 Ca -0.17 -0.24 -0.36 0.00 -1.93 0.00 0.00 57.85 55.15 1d4x n ARG 91 Cb 0.58 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.33 1d4x n ARG 91 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d4x s ALA 92 N -2.70 3.62 -0.17 7.54 0.00 -1.26 -4.25 121.76 124.55 1d4x s ALA 92 Ca 0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1d4x s ALA 92 Cb 0.19 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1d4x s ALA 92 CO 0.57 0.47 0.27 0.08 0.00 0.00 0.00 175.76 177.15 1d4x s VAL 93 N -1.35 5.32 -0.06 0.00 1.01 -0.90 -4.90 120.40 119.53 1d4x s VAL 93 Ca 0.34 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 1d4x s VAL 93 Cb -0.16 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1d4x s VAL 93 CO 0.18 0.39 0.24 -1.10 0.00 0.00 0.00 175.10 174.81 1d4x s GLN 94 N 0.48 3.60 -0.06 2.72 -0.21 -1.26 -0.32 119.66 124.61 1d4x s GLN 94 Ca 0.15 0.03 0.01 0.00 0.02 0.00 0.00 55.36 55.57 1d4x s GLN 94 Cb -0.13 -3.18 0.02 0.00 1.00 0.00 0.00 33.01 30.72 1d4x s GLN 94 CO 0.03 0.73 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.86 1d4x s HIS 95 N -1.09 0.98 -0.25 0.91 3.76 0.11 -4.95 115.29 114.75 1d4x s HIS 95 Ca 0.20 -0.33 -0.18 0.00 -0.15 0.00 0.00 55.06 54.60 1d4x s HIS 95 Cb -0.14 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 1d4x s HIS 95 CO 0.09 -0.25 0.52 0.50 -0.85 0.00 0.00 174.74 174.75 1d4x s ARG 96 N 0.98 4.08 -0.30 1.40 3.52 -1.26 -1.35 118.95 126.02 1d4x s ARG 96 Ca -0.10 0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1d4x s ARG 96 Cb -0.14 -3.64 0.05 0.00 -1.56 0.00 0.00 34.95 29.66 1d4x s ARG 96 CO 0.00 -0.33 -0.01 -1.21 -0.81 0.00 0.00 175.30 172.94 1d4x s GLU 97 N 2.24 2.37 -0.09 5.12 0.41 -0.14 -4.90 118.70 123.71 1d4x s GLU 97 Ca 0.22 -1.30 -0.12 0.00 -0.41 0.00 0.00 54.97 53.35 1d4x s GLU 97 Cb -0.16 -3.15 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 1d4x s GLU 97 CO 0.09 -0.63 0.29 0.08 -0.49 0.00 0.00 175.26 174.61 1d4x s VAL 98 N 1.22 5.26 0.04 2.63 1.01 -1.26 -0.58 120.40 128.71 1d4x s VAL 98 Ca -0.05 0.57 -0.37 0.00 0.00 0.00 0.00 61.98 62.12 1d4x s VAL 98 Cb -0.20 -3.60 -0.17 0.00 0.00 0.00 0.00 36.38 32.41 1d4x s VAL 98 CO -0.02 0.52 1.39 1.67 0.00 0.00 0.00 175.10 178.66 1d4x n GLN 99 N 2.53 1.14 -0.21 2.72 7.27 -0.85 -0.17 117.38 129.80 1d4x n GLN 99 Ca -0.15 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1d4x n GLN 99 Cb 0.53 -2.06 0.00 0.00 2.41 0.00 0.00 30.24 31.12 1d4x n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1d4x n GLY 100 N 2.72 1.46 1.10 1.69 0.00 -1.26 -4.82 105.19 106.09 1d4x n GLY 100 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1d4x n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d4x n PHE 101 N -2.00 0.00 -1.96 1.61 3.01 0.76 -5.11 117.46 113.77 1d4x n PHE 101 Ca 0.00 -0.30 -0.37 0.00 1.01 0.00 0.00 57.45 57.79 1d4x n PHE 101 Cb 0.00 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.39 1d4x n PHE 101 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1d4x s GLU 102 N 0.00 3.19 0.74 -1.08 8.01 -1.09 -4.53 118.70 123.94 1d4x s GLU 102 Ca 0.20 2.00 -0.13 0.00 0.01 0.00 0.00 54.97 57.05 1d4x s GLU 102 Cb 0.23 -2.16 0.04 0.00 -4.31 0.00 0.00 34.13 27.93 1d4x s GLU 102 CO -0.10 -1.08 1.12 -1.54 0.01 0.00 0.00 175.26 173.67 1d4x s SER 103 N -1.26 4.50 0.22 -0.19 1.04 -1.26 -4.84 113.70 111.90 1d4x s SER 103 Ca 0.72 2.03 -0.08 0.00 0.48 0.00 0.00 55.95 59.10 1d4x s SER 103 Cb -0.35 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.41 1d4x s SER 103 CO 0.40 -2.04 1.84 0.00 0.98 0.00 0.00 173.24 174.41 1d4x h ALA 104 N -0.62 1.10 -0.24 5.32 0.00 -1.99 -1.55 119.26 121.28 1d4x h ALA 104 Ca -0.45 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.37 1d4x h ALA 104 Cb 1.25 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1d4x h ALA 104 CO 0.51 0.62 -0.12 1.15 0.00 0.00 0.00 179.25 181.41 1d4x h THR 105 N 1.20 0.62 -0.01 0.00 2.02 -1.98 0.75 112.91 115.51 1d4x h THR 105 Ca 0.30 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 1d4x h THR 105 Cb 0.06 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1d4x h THR 105 CO -0.05 0.00 0.01 0.15 0.37 0.00 0.00 175.52 176.00 1d4x h PHE 106 N -0.09 0.02 -0.86 3.16 3.57 -1.84 -2.72 116.94 118.18 1d4x h PHE 106 Ca 0.13 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1d4x h PHE 106 Cb 0.29 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1d4x h PHE 106 CO -0.29 0.13 0.56 -0.07 -2.23 0.00 0.00 178.31 176.40 1d4x h LEU 107 N -0.09 0.81 -1.53 0.59 3.38 -1.07 -0.92 115.31 116.48 1d4x h LEU 107 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1d4x h LEU 107 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1d4x h LEU 107 CO -0.00 0.51 0.00 1.23 0.09 0.00 0.00 178.44 180.26 1d4x h GLY 108 N 0.91 0.00 2.00 0.83 0.00 -0.53 -2.29 103.07 103.99 1d4x h GLY 108 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1d4x h GLY 108 CO -0.15 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.42 1d4x h TYR 109 N 0.00 0.00 -3.50 5.60 0.05 -1.09 -3.38 116.97 114.66 1d4x h TYR 109 Ca 0.00 0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.07 1d4x h TYR 109 Cb 0.08 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 37.49 1d4x h TYR 109 CO 0.00 0.00 -0.38 -0.06 -1.05 0.00 0.00 178.16 176.67 1d4x s PHE 110 N -3.59 3.49 0.36 4.88 0.40 -0.86 -4.94 117.98 117.72 1d4x s PHE 110 Ca 0.02 -2.41 0.11 0.00 -0.60 0.00 0.00 56.93 54.04 1d4x s PHE 110 Cb 0.09 -3.32 0.87 0.00 0.51 0.00 0.00 43.02 41.18 1d4x s PHE 110 CO 0.51 -0.92 1.85 1.57 0.70 0.00 0.00 175.22 178.93 1d4x h LYS 111 N 7.65 0.61 0.00 0.44 -0.00 -1.83 0.17 116.57 123.61 1d4x h LYS 111 Ca -0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.54 1d4x h LYS 111 Cb 1.01 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 33.10 1d4x h LYS 111 CO 0.74 0.41 -0.07 0.45 -0.00 0.00 0.00 179.45 180.98 1d4x n SER 112 N -4.58 0.62 -0.01 7.07 2.88 -1.26 -5.02 113.62 113.32 1d4x n SER 112 Ca 0.19 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1d4x n SER 112 Cb 0.55 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1d4x n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d4x n GLY 113 N 1.36 0.38 3.82 0.46 0.00 0.60 -5.03 105.19 106.78 1d4x n GLY 113 Ca 0.06 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1d4x n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1d4x s LEU 114 N -0.25 3.27 0.09 0.99 0.05 -1.26 -4.98 118.68 116.59 1d4x s LEU 114 Ca 0.00 1.64 0.08 0.00 0.05 0.00 0.00 54.13 55.90 1d4x s LEU 114 Cb 0.00 -4.50 -0.03 0.00 -2.05 0.00 0.00 46.19 39.60 1d4x s LEU 114 CO 0.00 -1.25 -0.21 -0.54 -0.55 0.00 0.00 176.35 173.80 1d4x s LYS 115 N -4.74 1.16 -0.09 1.48 3.01 0.12 -5.03 119.74 115.65 1d4x s LYS 115 Ca 0.59 -1.12 -0.01 0.00 -1.01 0.00 0.00 55.97 54.42 1d4x s LYS 115 Cb -0.14 -1.40 -0.03 0.00 -1.01 0.00 0.00 37.83 35.25 1d4x s LYS 115 CO 0.48 0.33 -0.03 0.71 0.51 0.00 0.00 175.35 177.35 1d4x s TYR 116 N -1.10 3.05 -0.03 3.18 4.12 -1.26 -0.34 117.35 124.97 1d4x s TYR 116 Ca 0.06 0.04 0.01 0.00 0.02 0.00 0.00 57.07 57.20 1d4x s TYR 116 Cb -0.10 -1.79 0.02 0.00 -1.52 0.00 0.00 41.96 38.57 1d4x s TYR 116 CO 0.04 0.32 -0.01 -1.59 0.02 0.00 0.00 175.55 174.33 1d4x s LYS 117 N -0.61 0.32 0.55 -0.62 -2.85 -0.13 -4.91 119.74 111.49 1d4x s LYS 117 Ca 0.10 0.03 -0.20 0.00 -1.00 0.00 0.00 55.97 54.89 1d4x s LYS 117 Cb -0.12 -0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 35.15 1d4x s LYS 117 CO 0.02 -0.10 1.23 0.15 0.10 0.00 0.00 175.35 176.75 1d4x s LYS 118 N 0.82 3.20 0.00 1.78 -0.14 -1.26 -0.93 119.74 123.20 1d4x s LYS 118 Ca -0.08 1.90 0.00 0.00 -1.36 0.00 0.00 55.97 56.43 1d4x s LYS 118 Cb -0.12 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 1d4x s LYS 118 CO -0.01 -1.05 0.00 0.41 -0.76 0.00 0.00 175.35 173.94 1d4x n GLY 119 N 0.54 -0.62 0.00 -3.33 0.00 -1.26 -4.78 105.19 95.73 1d4x n GLY 119 Ca 0.11 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1d4x n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4x n GLY 120 N 0.00 0.96 3.89 -0.02 0.00 -1.26 -0.98 105.19 107.77 1d4x n GLY 120 Ca 0.00 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1d4x n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d4x s VAL 121 N -2.76 5.06 0.67 1.61 -7.23 -1.26 -5.03 120.40 111.45 1d4x s VAL 121 Ca 0.00 0.25 -0.14 0.00 -1.81 0.00 0.00 61.98 60.28 1d4x s VAL 121 Cb 0.00 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.32 1d4x s VAL 121 CO 0.00 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 175.89 1d4x s ALA 122 N -1.72 2.49 0.77 1.32 0.00 -1.26 -4.85 121.76 118.51 1d4x s ALA 122 Ca 0.43 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1d4x s ALA 122 Cb -0.12 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1d4x s ALA 122 CO 0.23 -1.29 1.03 0.45 0.00 0.00 0.00 175.76 176.17 1d4x n SER 123 N -2.63 0.56 -0.90 0.00 2.88 -1.26 -4.60 113.62 107.67 1d4x n SER 123 Ca 0.10 0.61 0.10 0.00 -1.33 0.00 0.00 58.87 58.35 1d4x n SER 123 Cb 0.52 -1.44 0.27 0.00 -0.75 0.00 0.00 64.21 62.82 1d4x n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d4x n GLY 124 N 0.89 1.15 3.94 0.46 0.00 -1.26 -4.94 105.19 105.43 1d4x n GLY 124 Ca 0.13 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1d4x n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4x s PHE 125 N -1.55 1.52 0.00 1.61 2.99 -1.26 -4.96 117.98 116.33 1d4x s PHE 125 Ca 0.35 0.23 0.00 0.00 0.00 0.00 0.00 56.93 57.52 1d4x s PHE 125 Cb 0.20 -4.03 0.00 0.00 0.00 0.00 0.00 43.02 39.18 1d4x s PHE 125 CO 0.28 -2.60 0.00 1.63 -0.00 0.00 0.00 175.22 174.53