#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxc n TYR 2 N 0.00 2.62 -3.63 3.17 4.01 -1.26 -5.07 117.16 117.00 1bxc n TYR 2 Ca 0.00 -3.72 -0.36 0.00 -0.16 0.00 0.00 57.90 53.67 1bxc n TYR 2 Cb 0.00 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 38.55 1bxc n TYR 2 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bxc s GLU 3 N -3.16 4.22 0.20 -0.72 0.41 -1.26 -4.60 118.70 113.79 1bxc s GLU 3 Ca 0.44 -0.05 -0.31 0.00 -0.41 0.00 0.00 54.97 54.64 1bxc s GLU 3 Cb 0.33 -3.42 -0.10 0.00 -1.78 0.00 0.00 34.13 29.16 1bxc s GLU 3 CO -0.11 0.27 1.52 -1.25 -0.49 0.00 0.00 175.26 175.20 1bxc s PRO 4 N 0.40 4.23 0.27 0.39 0.04 -1.26 -5.04 135.00 134.03 1bxc s PRO 4 Ca 0.13 2.34 0.12 0.00 0.04 0.00 0.00 61.00 63.62 1bxc s PRO 4 Cb -0.12 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1bxc s PRO 4 CO 0.01 -0.54 -0.19 0.15 0.04 0.00 0.00 177.00 176.47 1bxc s LYS 5 N 0.50 1.65 0.52 4.56 1.02 -1.26 -4.78 119.74 121.95 1bxc s LYS 5 Ca 0.66 -1.75 0.28 0.00 0.02 0.00 0.00 55.97 55.17 1bxc s LYS 5 Cb -0.43 -1.70 1.41 0.00 -0.52 0.00 0.00 37.83 36.59 1bxc s LYS 5 CO 0.36 0.31 2.05 -1.00 -0.92 0.00 0.00 175.35 176.15 1bxc h PRO 6 N 2.30 0.00 0.00 -1.68 0.13 -1.93 0.51 132.00 131.32 1bxc h PRO 6 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1bxc h PRO 6 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bxc h PRO 6 CO 0.60 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1bxc n GLU 7 N -3.56 0.01 0.11 0.86 0.00 -1.26 -1.62 120.64 115.18 1bxc n GLU 7 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 57.16 57.45 1bxc n GLU 7 Cb 0.26 -1.51 -0.01 0.00 0.00 0.00 0.00 31.44 30.18 1bxc n GLU 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1bxc h HIS 8 N 0.00 0.00 -4.81 -1.84 3.86 -1.30 -3.48 115.15 107.58 1bxc h HIS 8 Ca 0.00 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.92 1bxc h HIS 8 Cb 0.21 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.80 1bxc h HIS 8 CO 0.00 0.57 -0.55 0.54 0.86 0.00 0.00 177.93 179.35 1bxc n ARG 9 N -3.17 -5.91 -2.86 2.45 1.74 -0.64 -4.53 116.66 103.73 1bxc n ARG 9 Ca -0.00 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 1bxc n ARG 9 Cb 0.78 -5.14 -0.04 0.00 -1.02 0.00 0.00 32.46 27.04 1bxc n ARG 9 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bxc s PHE 10 N -3.26 3.39 0.19 -1.55 0.08 -1.26 0.16 117.98 115.73 1bxc s PHE 10 Ca 0.31 1.26 0.10 0.00 0.12 0.00 0.00 56.93 58.72 1bxc s PHE 10 Cb -0.14 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 1bxc s PHE 10 CO 0.57 -0.29 -0.20 0.95 -0.10 0.00 0.00 175.22 176.14 1bxc s THR 11 N 2.37 2.10 -0.07 0.64 -4.23 -0.16 -0.77 115.64 115.53 1bxc s THR 11 Ca 0.38 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1bxc s THR 11 Cb -0.16 -2.02 0.02 0.00 1.34 0.00 0.00 72.50 71.68 1bxc s THR 11 CO 0.11 -0.27 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.48 1bxc s PHE 12 N -2.01 1.25 0.51 3.99 0.40 -1.00 -1.70 117.98 119.42 1bxc s PHE 12 Ca 0.20 -0.47 -0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1bxc s PHE 12 Cb -0.06 -0.98 -0.06 0.00 0.51 0.00 0.00 43.02 42.43 1bxc s PHE 12 CO 0.09 -0.30 1.33 0.20 0.70 0.00 0.00 175.22 177.24 1bxc s GLY 13 N 0.97 2.88 0.54 4.36 0.00 -1.26 -2.04 107.32 112.77 1bxc s GLY 13 Ca -0.09 1.28 0.24 0.00 0.00 0.00 0.00 44.72 46.15 1bxc s GLY 13 CO 0.00 1.80 2.03 1.41 0.00 0.00 0.00 173.10 178.35 1bxc h LEU 14 N 1.73 0.00 -0.01 0.66 3.38 -1.46 -1.97 115.31 117.64 1bxc h LEU 14 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1bxc h LEU 14 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1bxc h LEU 14 CO 0.58 0.00 -0.26 -2.67 0.09 0.00 0.00 178.44 176.18 1bxc n TRP 15 N -4.33 0.00 0.01 1.13 2.14 -1.26 -2.22 117.44 112.90 1bxc n TRP 15 Ca 0.06 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.62 1bxc n TRP 15 Cb 0.48 -0.36 -0.01 0.00 -0.81 0.00 0.00 31.31 30.62 1bxc n TRP 15 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1bxc h THR 16 N 0.02 0.00 0.00 -1.67 1.35 -1.59 -3.21 112.91 107.82 1bxc h THR 16 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1bxc h THR 16 Cb 0.50 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1bxc h THR 16 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 1bxc h VAL 17 N -0.41 0.00 -0.01 6.82 -1.51 -1.73 -2.76 116.25 116.65 1bxc h VAL 17 Ca -0.01 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1bxc h VAL 17 Cb 0.05 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1bxc h VAL 17 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1bxc n GLY 18 N 0.44 -0.39 3.68 5.19 0.00 -0.94 -4.91 105.19 108.25 1bxc n GLY 18 Ca 0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1bxc n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bxc s ASN 19 N -2.00 6.48 0.00 1.61 3.84 -1.04 -4.62 114.94 119.21 1bxc s ASN 19 Ca 0.42 2.65 0.31 0.00 0.21 0.00 0.00 52.86 56.45 1bxc s ASN 19 Cb 0.21 -2.55 1.72 0.00 -0.55 0.00 0.00 41.25 40.09 1bxc s ASN 19 CO 0.35 -1.00 2.13 1.33 -2.79 0.00 0.00 177.10 177.11 1bxc n VAL 20 N 5.13 0.00 -1.07 -5.21 0.24 -1.26 -4.89 118.33 111.27 1bxc n VAL 20 Ca 0.18 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.42 1bxc n VAL 20 Cb 0.40 -0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.41 1bxc n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxc n GLY 21 N 1.07 0.58 3.77 7.63 0.00 -1.26 -0.81 105.19 116.16 1bxc n GLY 21 Ca 0.22 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1bxc n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxc s ARG 22 N -2.06 4.40 0.32 1.61 3.52 -1.25 -4.08 118.95 121.41 1bxc s ARG 22 Ca 0.00 1.84 0.06 0.00 -0.13 0.00 0.00 55.73 57.50 1bxc s ARG 22 Cb 0.00 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 1bxc s ARG 22 CO 0.00 -0.02 0.29 0.16 -0.81 0.00 0.00 175.30 174.92 1bxc s ASP 23 N -0.96 1.51 0.34 -2.12 1.47 -0.92 -4.97 116.67 111.03 1bxc s ASP 23 Ca 0.50 -1.71 0.25 0.00 1.18 0.00 0.00 52.55 52.76 1bxc s ASP 23 Cb -0.32 0.56 1.23 0.00 -0.34 0.00 0.00 42.92 44.05 1bxc s ASP 23 CO 0.41 -1.07 1.76 1.55 0.68 0.00 0.00 175.17 178.49 1bxc h PRO 24 N 2.16 0.00 -0.01 2.11 0.13 -1.99 -1.36 132.00 133.04 1bxc h PRO 24 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1bxc h PRO 24 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1bxc h PRO 24 CO 0.38 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.34 1bxc n PHE 25 N -2.37 0.01 -3.63 1.56 3.72 -1.26 -5.06 117.46 110.44 1bxc n PHE 25 Ca -0.00 -0.80 -0.14 0.00 -0.05 0.00 0.00 57.45 56.46 1bxc n PHE 25 Cb 0.11 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1bxc n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bxc s GLY 26 N -2.11 -0.35 1.06 1.37 0.00 -0.52 -5.16 107.32 101.60 1bxc s GLY 26 Ca 0.19 0.57 -0.15 0.00 0.00 0.00 0.00 44.72 45.33 1bxc s GLY 26 CO 0.02 0.29 1.14 0.99 0.00 0.00 0.00 173.10 175.54 1bxc s ASP 27 N -1.74 2.21 0.21 1.64 1.01 -1.26 -2.17 116.67 116.57 1bxc s ASP 27 Ca -0.08 0.79 -0.30 0.00 0.71 0.00 0.00 52.55 53.67 1bxc s ASP 27 Cb -0.01 -1.19 -0.09 0.00 1.01 0.00 0.00 42.92 42.64 1bxc s ASP 27 CO 0.01 -3.34 1.23 0.00 0.21 0.00 0.00 175.17 173.27 1bxc s ALA 28 N -3.18 3.46 -1.64 5.23 0.00 -1.26 -3.97 121.76 120.40 1bxc s ALA 28 Ca 0.68 1.01 0.20 0.00 0.00 0.00 0.00 51.96 53.85 1bxc s ALA 28 Cb -0.12 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1bxc s ALA 28 CO 0.55 -0.42 0.95 1.33 0.00 0.00 0.00 175.76 178.18 1bxc n VAL 29 N 2.24 0.00 -4.24 0.00 0.24 0.01 -4.89 118.33 111.67 1bxc n VAL 29 Ca 0.04 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 1bxc n VAL 29 Cb 0.44 1.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.90 1bxc n VAL 29 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxc s ARG 30 N -2.32 1.06 0.44 7.34 0.52 -0.73 -4.98 118.95 120.27 1bxc s ARG 30 Ca 0.15 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.68 1bxc s ARG 30 Cb 0.16 -0.50 -0.10 0.00 0.52 0.00 0.00 34.95 35.02 1bxc s ARG 30 CO 0.55 0.01 0.97 -1.21 0.02 0.00 0.00 175.30 175.64 1bxc s GLU 31 N -3.80 4.15 0.07 3.54 2.02 -1.26 -4.77 118.70 118.64 1bxc s GLU 31 Ca 0.18 1.17 -0.31 0.00 0.02 0.00 0.00 54.97 56.03 1bxc s GLU 31 Cb 0.04 -2.17 -0.07 0.00 0.10 0.00 0.00 34.13 32.03 1bxc s GLU 31 CO 0.01 -0.11 1.45 0.50 0.02 0.00 0.00 175.26 177.13 1bxc s ARG 32 N -3.18 4.28 0.02 1.61 6.06 -1.26 -4.81 118.95 121.67 1bxc s ARG 32 Ca 0.63 2.10 -0.18 0.00 -2.50 0.00 0.00 55.73 55.78 1bxc s ARG 32 Cb -0.11 -3.42 -0.06 0.00 0.06 0.00 0.00 34.95 31.42 1bxc s ARG 32 CO 0.14 -0.55 0.52 -0.51 -2.50 0.00 0.00 175.30 172.41 1bxc s LEU 33 N 1.85 4.47 0.16 -0.88 1.43 -1.26 -5.07 118.68 119.38 1bxc s LEU 33 Ca 0.66 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 1bxc s LEU 33 Cb -0.36 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 1bxc s LEU 33 CO 0.29 0.24 1.29 -0.62 0.23 0.00 0.00 176.35 177.78 1bxc s ASP 34 N -0.80 6.95 0.28 2.29 2.15 -1.26 -4.93 116.67 121.35 1bxc s ASP 34 Ca 0.28 2.30 0.02 0.00 0.43 0.00 0.00 52.55 55.58 1bxc s ASP 34 Cb -0.18 -2.60 0.58 0.00 -0.30 0.00 0.00 42.92 40.42 1bxc s ASP 34 CO 0.16 -0.51 1.81 -0.65 -0.17 0.00 0.00 175.17 175.81 1bxc h PRO 35 N 5.80 0.86 -0.66 4.34 0.11 -1.97 0.02 132.00 140.50 1bxc h PRO 35 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1bxc h PRO 35 Cb 1.21 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1bxc h PRO 35 CO 0.79 0.57 0.25 0.28 -0.21 0.00 0.00 178.00 179.67 1bxc h VAL 36 N 0.88 1.23 -0.70 3.15 2.07 -1.93 -1.96 116.25 119.00 1bxc h VAL 36 Ca 0.51 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1bxc h VAL 36 Cb 0.60 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1bxc h VAL 36 CO -0.30 0.30 0.38 0.22 0.02 0.00 0.00 177.57 178.18 1bxc h TYR 37 N 0.95 0.96 0.00 1.57 3.20 -1.40 -2.82 116.97 119.43 1bxc h TYR 37 Ca 0.22 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1bxc h TYR 37 Cb 0.21 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1bxc h TYR 37 CO 0.02 0.68 0.00 -0.24 -1.64 0.00 0.00 178.16 176.98 1bxc h VAL 38 N 0.96 0.00 -0.42 1.81 3.04 -0.99 -2.46 116.25 118.18 1bxc h VAL 38 Ca 0.24 -0.91 -0.11 0.00 -1.01 0.00 0.00 66.70 64.91 1bxc h VAL 38 Cb 0.04 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1bxc h VAL 38 CO -0.04 0.00 -0.19 1.23 -1.01 0.00 0.00 177.57 177.57 1bxc h GLY 39 N 4.06 0.94 1.55 3.17 0.00 -1.14 -1.89 103.07 109.76 1bxc h GLY 39 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 1bxc h GLY 39 CO 0.00 0.76 -0.33 0.45 0.00 0.00 0.00 176.54 177.42 1bxc h HIS 40 N 0.69 0.59 -0.18 5.60 -0.00 -1.26 -2.32 115.15 118.27 1bxc h HIS 40 Ca 0.10 -0.15 -0.18 0.00 -0.00 0.00 0.00 60.37 60.13 1bxc h HIS 40 Cb 0.75 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1bxc h HIS 40 CO 0.06 0.78 -0.60 0.87 -0.00 0.00 0.00 177.93 179.04 1bxc h LYS 41 N 0.44 0.72 -0.05 2.45 1.79 -1.37 -2.09 116.57 118.46 1bxc h LYS 41 Ca 0.05 -0.54 -0.12 0.00 -2.18 0.00 0.00 60.65 57.86 1bxc h LYS 41 Cb 0.79 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1bxc h LYS 41 CO 0.06 1.15 -0.54 -0.07 -1.08 0.00 0.00 179.45 178.98 1bxc h LEU 42 N 0.42 0.15 -0.37 2.94 3.38 -1.33 -1.69 115.31 118.81 1bxc h LEU 42 Ca -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1bxc h LEU 42 Cb 1.22 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1bxc h LEU 42 CO 0.13 0.66 0.14 0.00 0.09 0.00 0.00 178.44 179.46 1bxc h ALA 43 N 1.34 0.48 -1.00 1.53 0.00 -1.33 -1.23 119.26 119.05 1bxc h ALA 43 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1bxc h ALA 43 Cb 0.98 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1bxc h ALA 43 CO 0.08 0.10 0.66 0.93 0.00 0.00 0.00 179.25 181.01 1bxc h GLU 44 N 0.46 1.21 0.00 0.00 5.08 -0.91 -2.55 114.58 117.86 1bxc h GLU 44 Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1bxc h GLU 44 Cb 0.20 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1bxc h GLU 44 CO -0.01 0.80 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.61 1bxc h LEU 45 N 1.25 0.00 0.00 1.33 4.07 -1.00 -3.47 115.31 117.49 1bxc h LEU 45 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1bxc h LEU 45 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1bxc h LEU 45 CO -0.14 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 177.96 1bxc n GLY 46 N 0.32 1.87 3.77 0.83 0.00 -0.81 -4.70 105.19 106.47 1bxc n GLY 46 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1bxc n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxc s VAL 47 N -2.00 4.49 0.14 1.61 1.01 -0.53 -4.39 120.40 120.73 1bxc s VAL 47 Ca 0.00 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 1bxc s VAL 47 Cb 0.00 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1bxc s VAL 47 CO 0.00 0.49 1.54 -0.74 0.00 0.00 0.00 175.10 176.39 1bxc h HIS 48 N 4.67 1.00 -2.96 5.22 -0.00 -1.26 -3.44 115.15 118.38 1bxc h HIS 48 Ca -0.47 -0.23 0.01 0.00 -0.00 0.00 0.00 60.37 59.68 1bxc h HIS 48 Cb 1.21 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 1bxc h HIS 48 CO 0.65 1.00 0.29 0.20 -0.00 0.00 0.00 177.93 180.07 1bxc s GLY 49 N -3.60 0.28 -0.04 5.26 0.00 -1.17 -2.24 107.32 105.81 1bxc s GLY 49 Ca -0.12 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1bxc s GLY 49 CO 0.84 -0.09 -0.09 0.54 0.00 0.00 0.00 173.10 174.31 1bxc s VAL 50 N -2.53 0.80 0.37 1.40 0.11 -0.24 -2.38 120.40 117.93 1bxc s VAL 50 Ca 0.15 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 58.95 1bxc s VAL 50 Cb -0.05 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1bxc s VAL 50 CO 0.10 0.26 0.51 0.20 -3.33 0.00 0.00 175.10 172.84 1bxc s ASN 51 N 0.48 5.82 -0.01 3.54 0.02 -0.86 -4.16 114.94 119.76 1bxc s ASN 51 Ca -0.08 -0.29 -0.28 0.00 -1.02 0.00 0.00 52.86 51.19 1bxc s ASN 51 Cb -0.12 -0.99 0.06 0.00 0.02 0.00 0.00 41.25 40.23 1bxc s ASN 51 CO 0.01 -0.57 0.63 -1.48 0.02 0.00 0.00 177.10 175.72 1bxc s LEU 52 N -4.24 -0.49 0.45 0.60 0.05 -1.20 -1.06 118.68 112.80 1bxc s LEU 52 Ca 0.49 0.54 -0.08 0.00 0.05 0.00 0.00 54.13 55.14 1bxc s LEU 52 Cb -0.10 2.42 -0.05 0.00 -2.05 0.00 0.00 46.19 46.42 1bxc s LEU 52 CO 0.32 -0.65 0.79 -1.00 -0.55 0.00 0.00 176.35 175.25 1bxc s HIS 53 N -1.61 3.53 0.22 3.48 3.76 -1.26 -2.56 115.29 120.85 1bxc s HIS 53 Ca -0.09 0.92 -0.08 0.00 -0.15 0.00 0.00 55.06 55.66 1bxc s HIS 53 Cb -0.01 -2.37 0.36 0.00 1.11 0.00 0.00 32.58 31.67 1bxc s HIS 53 CO 0.06 -0.22 1.68 0.38 -0.85 0.00 0.00 174.74 175.79 1bxc h ASP 54 N 0.63 -0.10 1.12 1.40 2.03 -1.91 -1.60 116.42 118.00 1bxc h ASP 54 Ca -0.47 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 1bxc h ASP 54 Cb 1.20 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 1bxc h ASP 54 CO 0.63 -0.06 0.00 -0.62 -1.03 0.00 0.00 179.24 178.16 1bxc n GLU 55 N -5.20 0.15 -0.17 4.15 1.02 -1.26 -0.69 120.64 118.65 1bxc n GLU 55 Ca 0.11 0.19 -0.04 0.00 -0.02 0.00 0.00 57.16 57.41 1bxc n GLU 55 Cb 0.38 -1.70 0.16 0.00 -0.02 0.00 0.00 31.44 30.26 1bxc n GLU 55 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bxc h ASP 56 N 0.00 0.86 0.01 1.62 3.32 -1.68 -3.34 116.42 117.22 1bxc h ASP 56 Ca 0.00 -0.15 -0.39 0.00 0.02 0.00 0.00 57.03 56.51 1bxc h ASP 56 Cb 0.56 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1bxc h ASP 56 CO 0.00 0.82 -2.19 -0.11 -1.72 0.00 0.00 179.24 176.03 1bxc n LEU 57 N -4.28 2.23 -3.96 1.55 7.94 -0.69 -4.82 117.00 114.98 1bxc n LEU 57 Ca 0.05 0.24 -0.31 0.00 -1.11 0.00 0.00 56.01 54.88 1bxc n LEU 57 Cb 0.21 -0.91 -0.15 0.00 0.53 0.00 0.00 43.42 43.11 1bxc n LEU 57 CO 0.40 0.62 -0.31 -0.63 -1.11 0.00 0.00 177.39 176.36 1bxc s ILE 58 N -2.49 2.05 0.56 1.96 1.09 0.13 -4.99 121.20 119.52 1bxc s ILE 58 Ca -0.34 -2.29 -0.21 0.00 -1.10 0.00 0.00 60.65 56.71 1bxc s ILE 58 Cb 0.11 -2.51 -0.04 0.00 -1.06 0.00 0.00 42.46 38.96 1bxc s ILE 58 CO 0.57 -0.64 1.34 -2.16 -0.10 0.00 0.00 174.94 173.94 1bxc s PRO 59 N 0.89 3.04 0.16 2.79 0.04 -1.25 -3.98 135.00 136.68 1bxc s PRO 59 Ca 0.12 2.18 -0.34 0.00 0.04 0.00 0.00 61.00 63.00 1bxc s PRO 59 Cb -0.20 -2.17 -0.15 0.00 0.04 0.00 0.00 34.50 32.02 1bxc s PRO 59 CO -0.10 -1.25 1.34 0.54 0.04 0.00 0.00 177.00 177.57 1bxc n ARG 60 N -1.20 1.53 -2.39 4.56 1.74 -1.26 -2.92 116.66 116.72 1bxc n ARG 60 Ca 0.11 0.55 -0.02 0.00 -0.77 0.00 0.00 57.85 57.72 1bxc n ARG 60 Cb 0.46 -2.17 0.01 0.00 -1.02 0.00 0.00 32.46 29.74 1bxc n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bxc n GLY 61 N 2.45 0.56 3.38 -0.13 0.00 -1.26 -5.06 105.19 105.14 1bxc n GLY 61 Ca 0.16 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1bxc n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxc s THR 62 N -3.04 3.89 0.36 2.61 2.01 -1.15 -5.10 115.64 115.23 1bxc s THR 62 Ca 0.03 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 1bxc s THR 62 Cb -0.01 -2.81 -0.12 0.00 0.01 0.00 0.00 72.50 69.57 1bxc s THR 62 CO 0.08 0.37 1.19 -0.81 -0.69 0.00 0.00 174.62 174.76 1bxc n PRO 63 N 4.87 1.83 0.20 4.92 -0.04 -1.26 -4.63 135.00 140.89 1bxc n PRO 63 Ca -0.17 0.65 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 1bxc n PRO 63 Cb 0.51 -2.21 0.68 0.00 -0.04 0.00 0.00 33.50 32.44 1bxc n PRO 63 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1bxc h PRO 64 N 2.20 0.00 0.11 0.54 0.11 -1.99 0.27 132.00 133.25 1bxc h PRO 64 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1bxc h PRO 64 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1bxc h PRO 64 CO 0.61 0.00 -0.05 1.96 -0.21 0.00 0.00 178.00 180.30 1bxc h GLN 65 N 0.00 -0.14 -0.05 1.05 4.20 -2.00 -2.04 115.11 116.12 1bxc h GLN 65 Ca 0.07 0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 1bxc h GLN 65 Cb 0.27 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1bxc h GLN 65 CO -0.00 -0.08 -0.63 1.49 -0.67 0.00 0.00 178.83 178.95 1bxc h GLU 66 N -0.17 0.19 -0.56 1.46 4.81 -1.31 -2.36 114.58 116.64 1bxc h GLU 66 Ca -0.02 -0.13 0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1bxc h GLU 66 Cb 0.13 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1bxc h GLU 66 CO 0.02 0.75 0.39 -0.09 -0.73 0.00 0.00 179.01 179.36 1bxc h ARG 67 N 0.14 0.11 0.01 1.92 2.43 -0.38 -2.58 114.38 116.02 1bxc h ARG 67 Ca -0.01 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 1bxc h ARG 67 Cb 1.13 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 1bxc h ARG 67 CO 0.09 0.07 -1.69 -0.44 -1.51 0.00 0.00 179.97 176.50 1bxc h ASP 68 N 0.11 0.03 -0.48 -3.80 3.32 -0.82 -2.76 116.42 112.02 1bxc h ASP 68 Ca 0.27 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1bxc h ASP 68 Cb 0.91 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1bxc h ASP 68 CO -0.03 1.06 0.05 -0.61 -1.72 0.00 0.00 179.24 177.98 1bxc h GLN 69 N 0.01 0.88 0.49 3.56 5.75 -1.38 -0.59 115.11 123.82 1bxc h GLN 69 Ca -0.28 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1bxc h GLN 69 Cb 2.00 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.45 1bxc h GLN 69 CO 0.08 0.84 -0.23 0.82 -2.65 0.00 0.00 178.83 177.69 1bxc h ILE 70 N 0.82 0.51 -0.44 2.39 2.04 -1.49 -0.90 117.51 120.44 1bxc h ILE 70 Ca 0.16 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1bxc h ILE 70 Cb 0.42 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1bxc h ILE 70 CO 0.01 0.03 0.15 0.58 0.00 0.00 0.00 178.15 178.92 1bxc h VAL 71 N -0.75 1.18 0.14 1.67 2.07 -1.46 -1.46 116.25 117.63 1bxc h VAL 71 Ca -0.07 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1bxc h VAL 71 Cb 0.55 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1bxc h VAL 71 CO 0.11 0.22 -0.07 -0.09 0.02 0.00 0.00 177.57 177.77 1bxc h ARG 72 N 0.63 -0.18 0.00 1.57 2.43 -0.87 -1.99 114.38 115.97 1bxc h ARG 72 Ca 0.15 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1bxc h ARG 72 Cb 0.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1bxc h ARG 72 CO -0.01 -0.09 -0.35 0.07 -1.51 0.00 0.00 179.97 178.08 1bxc h ARG 73 N -0.21 0.00 -0.19 0.20 0.11 -0.78 -2.42 114.38 111.08 1bxc h ARG 73 Ca -0.02 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.92 1bxc h ARG 73 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1bxc h ARG 73 CO 0.03 0.35 -0.42 0.35 0.10 0.00 0.00 179.97 180.38 1bxc h PHE 74 N 0.00 0.79 -0.44 4.08 3.57 -1.19 -2.98 116.94 120.77 1bxc h PHE 74 Ca -0.00 -0.29 -0.06 0.00 3.53 0.00 0.00 57.97 61.15 1bxc h PHE 74 Cb 0.81 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1bxc h PHE 74 CO 0.00 1.05 0.04 0.87 -2.23 0.00 0.00 178.31 178.05 1bxc h LYS 75 N 0.30 0.69 -0.52 1.11 1.57 -1.11 -1.97 116.57 116.64 1bxc h LYS 75 Ca 0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1bxc h LYS 75 Cb 1.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1bxc h LYS 75 CO 0.09 0.68 0.32 -0.09 -0.57 0.00 0.00 179.45 179.87 1bxc h ARG 76 N 0.66 0.70 -0.65 3.15 9.65 -1.46 0.47 114.38 126.89 1bxc h ARG 76 Ca 0.14 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1bxc h ARG 76 Cb 0.35 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1bxc h ARG 76 CO 0.01 0.50 0.36 0.00 2.80 0.00 0.00 179.97 183.64 1bxc h ALA 77 N 1.16 0.83 -0.58 2.80 0.00 -1.31 0.43 119.26 122.59 1bxc h ALA 77 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bxc h ALA 77 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1bxc h ALA 77 CO -0.04 0.35 0.18 -0.07 0.00 0.00 0.00 179.25 179.67 1bxc h LEU 78 N 0.89 0.80 -0.01 0.00 3.38 -1.03 -1.03 115.31 118.32 1bxc h LEU 78 Ca 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bxc h LEU 78 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1bxc h LEU 78 CO -0.04 0.76 -0.00 0.44 0.09 0.00 0.00 178.44 179.69 1bxc h ASP 79 N 0.84 0.02 -1.00 -0.43 3.32 0.75 0.24 116.42 120.16 1bxc h ASP 79 Ca 0.19 -0.36 0.13 0.00 0.02 0.00 0.00 57.03 57.01 1bxc h ASP 79 Cb 0.25 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 1bxc h ASP 79 CO -0.01 0.37 0.62 -0.33 -1.72 0.00 0.00 179.24 178.17 1bxc h GLU 80 N -0.34 0.93 0.00 3.56 5.08 -0.08 -3.18 114.58 120.55 1bxc h GLU 80 Ca 0.00 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1bxc h GLU 80 Cb 0.36 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1bxc h GLU 80 CO 0.00 0.61 -1.81 0.25 -1.00 0.00 0.00 179.01 177.07 1bxc n THR 81 N -4.65 0.82 -1.00 1.13 -2.24 -0.40 -4.98 114.28 102.96 1bxc n THR 81 Ca 0.19 -0.66 -0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1bxc n THR 81 Cb 0.38 -0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1bxc n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxc n GLY 82 N 1.43 0.46 3.77 3.38 0.00 0.84 -5.02 105.19 110.04 1bxc n GLY 82 Ca -0.13 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1bxc n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxc s LEU 83 N -0.03 4.44 0.44 0.99 1.43 -1.19 -4.99 118.68 119.77 1bxc s LEU 83 Ca 0.00 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1bxc s LEU 83 Cb 0.00 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1bxc s LEU 83 CO 0.00 -0.49 0.66 -0.54 0.23 0.00 0.00 176.35 176.21 1bxc s LYS 84 N -1.76 3.14 -0.61 1.70 -0.14 -0.95 -4.79 119.74 116.33 1bxc s LYS 84 Ca 0.48 -0.44 0.03 0.00 -1.36 0.00 0.00 55.97 54.69 1bxc s LYS 84 Cb -0.39 -2.56 0.15 0.00 -1.68 0.00 0.00 37.83 33.35 1bxc s LYS 84 CO 0.51 -0.22 0.38 0.08 -0.76 0.00 0.00 175.35 175.35 1bxc s VAL 85 N -2.53 2.87 0.35 3.17 1.01 -1.26 -1.08 120.40 122.93 1bxc s VAL 85 Ca 0.47 -3.65 0.10 0.00 0.00 0.00 0.00 61.98 58.90 1bxc s VAL 85 Cb -0.10 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.44 1bxc s VAL 85 CO 0.38 -0.89 1.81 -0.65 0.00 0.00 0.00 175.10 175.75 1bxc h PRO 86 N 6.15 0.15 -3.41 2.72 0.11 -1.88 -3.16 132.00 132.68 1bxc h PRO 86 Ca 0.01 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.82 1bxc h PRO 86 Cb 0.85 -0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.64 1bxc h PRO 86 CO 0.71 0.46 -0.63 1.41 -0.21 0.00 0.00 178.00 179.73 1bxc s MET 87 N -4.33 0.07 0.31 1.05 -2.45 -1.26 -1.42 119.30 111.26 1bxc s MET 87 Ca -0.04 0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.70 1bxc s MET 87 Cb 0.14 -0.11 -0.06 0.00 1.25 0.00 0.00 34.83 36.05 1bxc s MET 87 CO 0.74 -0.11 -0.02 0.14 1.05 0.00 0.00 175.02 176.83 1bxc s VAL 88 N 0.75 1.56 -0.28 10.11 -7.23 -0.98 -3.21 120.40 121.11 1bxc s VAL 88 Ca -0.06 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 57.83 1bxc s VAL 88 Cb -0.08 -2.62 0.11 0.00 0.56 0.00 0.00 36.38 34.35 1bxc s VAL 88 CO -0.03 -0.18 0.87 0.28 -0.31 0.00 0.00 175.10 175.74 1bxc s THR 89 N -3.06 0.00 0.09 5.32 -1.32 -1.06 -1.73 115.64 113.89 1bxc s THR 89 Ca 0.32 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.50 1bxc s THR 89 Cb 0.06 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.99 1bxc s THR 89 CO 0.14 0.00 1.18 -0.83 -2.21 0.00 0.00 174.62 172.90 1bxc s GLY 90 N 0.82 2.51 -0.47 6.08 0.00 -1.26 -3.14 107.32 111.86 1bxc s GLY 90 Ca -0.03 0.86 -0.28 0.00 0.00 0.00 0.00 44.72 45.27 1bxc s GLY 90 CO -0.09 1.96 1.69 0.21 0.00 0.00 0.00 173.10 176.86 1bxc s ASN 91 N 0.76 5.81 -0.32 1.64 3.84 -1.26 -4.86 114.94 120.56 1bxc s ASN 91 Ca 0.56 0.75 0.07 0.00 0.21 0.00 0.00 52.86 54.45 1bxc s ASN 91 Cb -0.30 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.33 1bxc s ASN 91 CO 0.31 -1.87 1.36 0.18 -2.79 0.00 0.00 177.10 174.28 1bxc n LEU 92 N 10.68 4.61 0.00 3.21 4.77 -1.26 -4.66 117.00 134.35 1bxc n LEU 92 Ca 0.19 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 51.86 1bxc n LEU 92 Cb 0.49 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1bxc n LEU 92 CO 0.70 1.70 -0.19 2.22 -1.33 0.00 0.00 177.39 180.49 1bxc n PHE 93 N -0.91 0.00 -0.09 -1.77 1.16 -1.26 -4.53 117.46 110.06 1bxc n PHE 93 Ca 0.39 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.81 1bxc n PHE 93 Cb 0.90 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 1bxc n PHE 93 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1bxc h SER 94 N 0.00 0.00 -1.70 5.98 0.02 -1.97 -3.46 113.55 112.42 1bxc h SER 94 Ca 0.00 -0.54 -0.68 0.00 -0.84 0.00 0.00 61.79 59.73 1bxc h SER 94 Cb 0.10 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.70 1bxc h SER 94 CO 0.00 1.17 0.45 -0.67 -1.14 0.00 0.00 176.83 176.65 1bxc n ASP 95 N -4.54 1.65 0.33 3.07 -0.08 -1.26 -4.85 116.55 110.88 1bxc n ASP 95 Ca -0.20 1.12 0.21 0.00 -1.51 0.00 0.00 54.79 54.41 1bxc n ASP 95 Cb 0.51 -1.19 1.15 0.00 2.34 0.00 0.00 41.12 43.93 1bxc n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bxc h PRO 96 N 4.53 0.00 -0.89 -0.67 0.11 -2.02 -1.70 132.00 131.35 1bxc h PRO 96 Ca -0.47 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.87 1bxc h PRO 96 Cb 1.33 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 1bxc h PRO 96 CO 0.78 0.00 0.62 0.78 -0.21 0.00 0.00 178.00 179.97 1bxc h GLY 97 N 0.00 0.36 -2.80 -0.55 0.00 -1.97 -0.84 103.07 97.27 1bxc h GLY 97 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1bxc h GLY 97 CO -0.00 -0.01 0.08 0.69 0.00 0.00 0.00 176.54 177.30 1bxc n PHE 98 N -4.37 1.49 0.18 5.60 3.72 -0.64 -4.52 117.46 118.92 1bxc n PHE 98 Ca 0.19 -0.64 0.09 0.00 -0.05 0.00 0.00 57.45 57.04 1bxc n PHE 98 Cb 0.86 -0.43 0.61 0.00 -0.94 0.00 0.00 39.48 39.57 1bxc n PHE 98 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bxc h LYS 99 N 2.28 0.10 -0.63 -1.08 2.10 -1.32 -1.01 116.57 117.00 1bxc h LYS 99 Ca 0.08 -0.01 -0.45 0.00 -2.00 0.00 0.00 60.65 58.27 1bxc h LYS 99 Cb 1.62 -0.02 -0.40 0.00 -0.90 0.00 0.00 32.23 32.52 1bxc h LYS 99 CO 0.40 0.07 -0.86 -3.47 -2.00 0.00 0.00 179.45 173.58 1bxc n ASP 100 N -4.51 4.02 0.00 7.07 2.03 -1.26 -5.07 116.55 118.83 1bxc n ASP 100 Ca -0.00 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.92 1bxc n ASP 100 Cb 0.15 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1bxc n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bxc n GLY 101 N -0.69 3.63 0.00 0.27 0.00 -0.38 -3.84 105.19 104.17 1bxc n GLY 101 Ca 0.35 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1bxc n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxc n GLY 102 N -1.15 0.42 0.21 -0.02 0.00 -1.26 -4.03 105.19 99.37 1bxc n GLY 102 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1bxc n GLY 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bxc h PHE 103 N 0.00 0.00 -0.40 1.61 0.04 -1.89 -2.90 116.94 113.40 1bxc h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bxc h PHE 103 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1bxc h PHE 103 CO 0.00 0.28 0.00 0.25 -0.60 0.00 0.00 178.31 178.24 1bxc n THR 104 N -3.54 2.32 -2.15 -1.55 -2.24 -1.26 -4.58 114.28 101.29 1bxc n THR 104 Ca -0.00 -1.61 -0.39 0.00 -2.27 0.00 0.00 64.05 59.77 1bxc n THR 104 Cb 0.43 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 1bxc n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bxc s SER 105 N -1.42 6.35 0.48 3.42 0.15 -1.09 -4.73 113.70 116.87 1bxc s SER 105 Ca 0.46 2.52 0.27 0.00 0.70 0.00 0.00 55.95 59.91 1bxc s SER 105 Cb 0.35 -2.63 0.86 0.00 -1.71 0.00 0.00 66.02 62.90 1bxc s SER 105 CO 0.13 -0.81 1.80 0.08 1.20 0.00 0.00 173.24 175.64 1bxc h ARG 106 N 2.61 0.00 -5.67 5.44 -0.00 -1.92 -3.43 114.38 111.41 1bxc h ARG 106 Ca -0.49 0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 58.88 1bxc h ARG 106 Cb 1.24 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 31.11 1bxc h ARG 106 CO 0.62 0.06 0.31 0.34 -0.00 0.00 0.00 179.97 181.31 1bxc s ASP 107 N -5.99 6.65 0.56 0.08 -1.08 -1.26 -4.95 116.67 110.68 1bxc s ASP 107 Ca 0.03 0.70 0.32 0.00 -0.52 0.00 0.00 52.55 53.08 1bxc s ASP 107 Cb 0.08 -2.38 1.66 0.00 -1.46 0.00 0.00 42.92 40.82 1bxc s ASP 107 CO 0.61 -0.52 2.13 1.55 0.52 0.00 0.00 175.17 179.47 1bxc h PRO 108 N 8.00 0.00 -0.20 4.34 0.13 -2.00 -1.03 132.00 141.24 1bxc h PRO 108 Ca -0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1bxc h PRO 108 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1bxc h PRO 108 CO 0.84 0.07 -0.30 -1.49 -0.23 0.00 0.00 178.00 176.89 1bxc h TRP 109 N 0.00 0.44 0.16 1.56 4.06 -1.96 -1.20 115.95 119.01 1bxc h TRP 109 Ca -0.00 -0.10 -0.29 0.00 2.06 0.00 0.00 58.89 60.56 1bxc h TRP 109 Cb 0.27 -0.11 0.02 0.00 -1.00 0.00 0.00 29.16 28.34 1bxc h TRP 109 CO 0.00 0.66 -1.29 0.28 -3.56 0.00 0.00 178.44 174.52 1bxc h VAL 110 N 0.34 1.41 -0.29 1.49 2.07 -1.57 -2.05 116.25 117.65 1bxc h VAL 110 Ca 0.05 -2.86 -0.07 0.00 0.82 0.00 0.00 66.70 64.64 1bxc h VAL 110 Cb 0.71 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 1bxc h VAL 110 CO 0.05 0.84 -0.11 0.03 0.02 0.00 0.00 177.57 178.41 1bxc h ARG 111 N 0.13 0.48 -0.36 1.57 3.08 -1.30 -0.29 114.38 117.69 1bxc h ARG 111 Ca -0.17 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 1bxc h ARG 111 Cb 2.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.98 1bxc h ARG 111 CO 0.23 0.59 0.02 0.00 -1.07 0.00 0.00 179.97 179.73 1bxc h ALA 112 N 1.44 0.48 -0.02 0.04 0.00 -1.24 -2.01 119.26 117.95 1bxc h ALA 112 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1bxc h ALA 112 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1bxc h ALA 112 CO 0.03 0.22 -0.05 -0.92 0.00 0.00 0.00 179.25 178.52 1bxc h TYR 113 N 0.43 -0.13 -0.87 0.00 3.20 -0.80 -0.83 116.97 117.98 1bxc h TYR 113 Ca 0.10 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.10 1bxc h TYR 113 Cb 0.42 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 1bxc h TYR 113 CO 0.03 -0.08 0.48 0.00 -1.64 0.00 0.00 178.16 176.95 1bxc h ALA 114 N 0.92 1.29 0.70 1.82 0.00 -1.06 -0.60 119.26 122.34 1bxc h ALA 114 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1bxc h ALA 114 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bxc h ALA 114 CO -0.07 0.02 -0.39 0.35 0.00 0.00 0.00 179.25 179.17 1bxc h PHE 115 N 0.74 -1.02 -0.74 0.00 3.04 -1.06 -2.54 116.94 115.36 1bxc h PHE 115 Ca 0.45 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.45 1bxc h PHE 115 Cb 0.54 0.35 -0.05 0.00 2.56 0.00 0.00 35.95 39.35 1bxc h PHE 115 CO -0.07 -0.60 0.49 -0.09 -2.02 0.00 0.00 178.31 176.02 1bxc h ARG 116 N -1.01 0.74 -0.41 1.11 2.43 -0.85 -1.45 114.38 114.94 1bxc h ARG 116 Ca -0.10 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1bxc h ARG 116 Cb 0.79 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1bxc h ARG 116 CO 0.13 0.49 0.02 -0.22 -1.51 0.00 0.00 179.97 178.88 1bxc h LYS 117 N 0.76 0.64 -0.19 0.20 3.64 -1.13 -1.47 116.57 119.02 1bxc h LYS 117 Ca 0.32 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1bxc h LYS 117 Cb 0.28 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bxc h LYS 117 CO -0.11 0.64 -0.11 0.77 -2.27 0.00 0.00 179.45 178.38 1bxc h SER 118 N 0.61 0.43 -0.76 4.20 0.02 -0.91 -2.73 113.55 114.41 1bxc h SER 118 Ca 0.13 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1bxc h SER 118 Cb 0.35 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1bxc h SER 118 CO 0.01 0.75 0.49 -0.07 -1.14 0.00 0.00 176.83 176.87 1bxc h LEU 119 N 0.10 0.82 -1.18 5.07 3.38 -0.92 -0.85 115.31 121.72 1bxc h LEU 119 Ca 0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1bxc h LEU 119 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1bxc h LEU 119 CO 0.03 0.57 -0.39 -0.33 0.09 0.00 0.00 178.44 178.42 1bxc h GLU 120 N 0.96 0.00 0.03 1.13 5.08 -1.30 -1.38 114.58 119.10 1bxc h GLU 120 Ca 0.30 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 1bxc h GLU 120 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1bxc h GLU 120 CO -0.10 0.39 -1.05 1.15 -1.00 0.00 0.00 179.01 178.40 1bxc h THR 121 N 0.00 1.66 -0.82 1.13 2.02 -1.09 -2.15 112.91 113.67 1bxc h THR 121 Ca -0.00 -3.31 -0.01 0.00 0.77 0.00 0.00 66.41 63.85 1bxc h THR 121 Cb 0.74 2.86 -0.04 0.00 -1.74 0.00 0.00 68.15 69.97 1bxc h THR 121 CO 0.05 0.95 0.47 0.24 0.37 0.00 0.00 175.52 177.60 1bxc h MET 122 N 0.02 1.12 -0.16 6.66 2.86 -0.78 -0.04 114.93 124.61 1bxc h MET 122 Ca -0.04 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1bxc h MET 122 Cb 1.80 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 33.23 1bxc h MET 122 CO 0.15 0.80 -0.13 -0.44 1.06 0.00 0.00 176.91 178.34 1bxc h ASP 123 N 1.13 0.40 -0.79 1.22 3.32 -1.17 -2.23 116.42 118.30 1bxc h ASP 123 Ca 0.29 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1bxc h ASP 123 Cb -0.02 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1bxc h ASP 123 CO -0.05 0.77 0.49 0.25 -1.72 0.00 0.00 179.24 178.98 1bxc h LEU 124 N 0.03 0.79 -0.82 1.55 5.85 -1.33 -2.07 115.31 119.31 1bxc h LEU 124 Ca 0.03 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1bxc h LEU 124 Cb 0.65 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1bxc h LEU 124 CO 0.03 0.53 0.53 1.23 -0.34 0.00 0.00 178.44 180.43 1bxc h GLY 125 N 0.93 1.19 1.14 3.75 0.00 -0.77 -2.26 103.07 107.06 1bxc h GLY 125 Ca 0.33 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 1bxc h GLY 125 CO -0.14 0.36 -0.24 0.00 0.00 0.00 0.00 176.54 176.52 1bxc h ALA 126 N 1.33 0.69 0.00 3.60 0.00 -1.11 0.85 119.26 124.63 1bxc h ALA 126 Ca 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bxc h ALA 126 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1bxc h ALA 126 CO -0.10 0.67 0.00 -1.91 0.00 0.00 0.00 179.25 177.91 1bxc n GLU 127 N -4.10 0.15 0.00 0.00 2.13 -0.80 -2.63 120.64 115.39 1bxc n GLU 127 Ca -0.00 0.61 0.01 0.00 0.66 0.00 0.00 57.16 58.44 1bxc n GLU 127 Cb 0.47 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1bxc n GLU 127 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1bxc n LEU 128 N -2.27 0.87 0.00 4.31 4.77 -0.40 -5.01 117.00 119.28 1bxc n LEU 128 Ca -0.01 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1bxc n LEU 128 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1bxc n LEU 128 CO 0.11 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1bxc n GLY 129 N 0.41 0.91 3.77 -0.72 0.00 -0.34 -4.43 105.19 104.78 1bxc n GLY 129 Ca 0.01 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1bxc n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxc s ALA 130 N -2.00 3.18 -0.01 4.61 0.00 0.15 -4.82 121.76 122.88 1bxc s ALA 130 Ca 0.00 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1bxc s ALA 130 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1bxc s ALA 130 CO 0.00 -0.70 0.02 -0.85 0.00 0.00 0.00 175.76 174.23 1bxc n GLU 131 N 0.05 1.36 -5.19 0.00 0.28 -0.80 -4.66 120.64 111.68 1bxc n GLU 131 Ca 0.04 -0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.72 1bxc n GLU 131 Cb 0.45 -1.03 -0.16 0.00 1.43 0.00 0.00 31.44 32.13 1bxc n GLU 131 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1bxc s ILE 132 N -2.07 2.18 -0.17 3.84 1.01 -0.51 -1.92 121.20 123.57 1bxc s ILE 132 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1bxc s ILE 132 Cb 0.01 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1bxc s ILE 132 CO 0.05 0.56 -0.12 -0.47 0.00 0.00 0.00 174.94 174.97 1bxc s TYR 133 N 0.07 2.84 -0.09 3.97 6.14 -0.45 -2.31 117.35 127.52 1bxc s TYR 133 Ca -0.10 -0.94 -0.02 0.00 0.64 0.00 0.00 57.07 56.65 1bxc s TYR 133 Cb -0.16 -1.94 -0.03 0.00 0.42 0.00 0.00 41.96 40.25 1bxc s TYR 133 CO 0.06 -0.44 0.01 0.08 0.64 0.00 0.00 175.55 175.90 1bxc s VAL 134 N 0.89 4.34 -0.28 3.14 1.01 -0.70 0.39 120.40 129.19 1bxc s VAL 134 Ca -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1bxc s VAL 134 Cb -0.15 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.46 1bxc s VAL 134 CO -0.00 0.60 -0.06 -0.69 0.00 0.00 0.00 175.10 174.95 1bxc s VAL 135 N -0.80 2.49 -0.27 2.92 1.01 -0.04 -4.38 120.40 121.32 1bxc s VAL 135 Ca 0.12 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.43 1bxc s VAL 135 Cb -0.11 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1bxc s VAL 135 CO 0.02 -0.10 0.09 0.86 0.00 0.00 0.00 175.10 175.98 1bxc s TRP 136 N 1.15 3.12 -0.88 5.22 -0.00 -1.26 -0.91 118.94 125.37 1bxc s TRP 136 Ca -0.06 -0.55 -0.04 0.00 -0.00 0.00 0.00 56.10 55.45 1bxc s TRP 136 Cb -0.20 -2.27 0.11 0.00 -0.00 0.00 0.00 33.47 31.12 1bxc s TRP 136 CO -0.04 -0.42 2.52 -0.35 -0.00 0.00 0.00 176.95 178.67 1bxc n PRO 137 N 4.93 3.55 0.21 5.86 -0.04 -1.26 -4.73 135.00 143.51 1bxc n PRO 137 Ca -0.15 -3.01 0.06 0.00 -0.04 0.00 0.00 63.50 60.35 1bxc n PRO 137 Cb 0.50 -2.38 0.46 0.00 -0.04 0.00 0.00 33.50 32.05 1bxc n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1bxc h GLY 138 N 4.61 0.00 -1.78 0.55 0.00 -1.92 -1.99 103.07 102.55 1bxc h GLY 138 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1bxc h GLY 138 CO 1.18 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 175.59 1bxc n ARG 139 N -3.95 2.25 -3.15 4.80 3.00 -1.26 -3.94 116.66 114.41 1bxc n ARG 139 Ca -0.02 -1.86 -0.45 0.00 -0.00 0.00 0.00 57.85 55.53 1bxc n ARG 139 Cb 0.36 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 31.34 1bxc n ARG 139 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1bxc s GLU 140 N -1.77 4.11 0.00 -0.14 0.41 -0.75 -3.45 118.70 117.11 1bxc s GLU 140 Ca 0.34 -2.86 0.00 0.00 -0.41 0.00 0.00 54.97 52.04 1bxc s GLU 140 Cb 0.21 -4.79 0.00 0.00 -1.78 0.00 0.00 34.13 27.77 1bxc s GLU 140 CO 0.31 -1.49 0.00 0.41 -0.49 0.00 0.00 175.26 173.99 1bxc n GLY 141 N 3.46 2.07 3.19 -1.39 0.00 -1.26 -1.42 105.19 109.85 1bxc n GLY 141 Ca 0.29 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1bxc n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxc s ALA 142 N -1.00 -0.27 0.00 4.61 0.00 -0.68 -4.89 121.76 119.52 1bxc s ALA 142 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1bxc s ALA 142 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1bxc s ALA 142 CO 0.00 -0.45 0.00 -0.85 0.00 0.00 0.00 175.76 174.46 1bxc n GLU 143 N 0.24 4.43 -4.04 0.00 0.00 -1.26 -2.97 120.64 117.04 1bxc n GLU 143 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.67 1bxc n GLU 143 Cb 0.61 -0.54 -0.15 0.00 0.00 0.00 0.00 31.44 31.36 1bxc n GLU 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1bxc s VAL 144 N -1.03 2.33 -1.00 3.84 1.01 -1.26 -4.96 120.40 119.34 1bxc s VAL 144 Ca 0.00 -1.66 0.26 0.00 0.00 0.00 0.00 61.98 60.59 1bxc s VAL 144 Cb 0.00 -2.40 0.09 0.00 0.00 0.00 0.00 36.38 34.07 1bxc s VAL 144 CO 0.00 -0.10 1.60 1.21 0.00 0.00 0.00 175.10 177.82 1bxc n GLU 145 N 4.45 0.00 0.16 2.72 4.07 -1.26 -3.96 120.64 126.82 1bxc n GLU 145 Ca -0.12 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.10 1bxc n GLU 145 Cb 0.42 -1.50 0.56 0.00 -0.06 0.00 0.00 31.44 30.86 1bxc n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bxc h ALA 146 N 2.99 1.00 0.00 4.31 0.00 -2.05 -1.95 119.26 123.57 1bxc h ALA 146 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1bxc h ALA 146 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bxc h ALA 146 CO 0.00 0.00 -0.36 1.79 0.00 0.00 0.00 179.25 180.68 1bxc h THR 147 N 0.00 0.74 -0.17 0.00 1.35 -2.02 -3.47 112.91 109.34 1bxc h THR 147 Ca 0.00 -1.61 -0.07 0.00 -0.55 0.00 0.00 66.41 64.18 1bxc h THR 147 Cb 0.24 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 1bxc h THR 147 CO 0.00 0.35 -0.07 0.61 -0.25 0.00 0.00 175.52 176.16 1bxc n GLY 148 N 0.56 0.60 0.22 5.82 0.00 -0.73 -4.90 105.19 106.76 1bxc n GLY 148 Ca 0.01 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 45.92 1bxc n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bxc h LYS 149 N 0.35 0.00 0.00 1.61 3.64 -1.90 -2.52 116.57 117.74 1bxc h LYS 149 Ca -0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1bxc h LYS 149 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1bxc h LYS 149 CO 0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 179.45 177.24 1bxc h ALA 150 N 2.07 1.17 0.00 5.00 0.00 -1.91 -0.50 119.26 125.10 1bxc h ALA 150 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1bxc h ALA 150 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bxc h ALA 150 CO 0.00 0.06 -0.34 0.00 0.00 0.00 0.00 179.25 178.97 1bxc h ARG 151 N 0.00 0.00 0.00 0.00 2.47 -1.86 -3.37 114.38 111.62 1bxc h ARG 151 Ca -0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1bxc h ARG 151 Cb 0.22 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1bxc h ARG 151 CO 0.01 0.34 -2.06 1.63 0.56 0.00 0.00 179.97 180.44 1bxc n LYS 152 N -3.27 0.73 0.23 0.04 5.02 -0.22 -4.57 118.16 116.12 1bxc n LYS 152 Ca 0.02 -0.12 0.10 0.00 -2.02 0.00 0.00 58.31 56.29 1bxc n LYS 152 Cb 0.60 -1.48 0.53 0.00 -0.02 0.00 0.00 35.03 34.65 1bxc n LYS 152 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1bxc h VAL 153 N 0.00 0.59 -0.29 -0.18 -1.51 -1.65 -2.99 116.25 110.22 1bxc h VAL 153 Ca -0.19 -0.99 -0.04 0.00 -1.23 0.00 0.00 66.70 64.26 1bxc h VAL 153 Cb 1.38 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.18 1bxc h VAL 153 CO 0.01 0.21 0.04 -0.50 -1.23 0.00 0.00 177.57 176.10 1bxc h TRP 154 N 0.00 0.51 -0.40 5.19 4.06 -1.84 -2.04 115.95 121.43 1bxc h TRP 154 Ca -0.00 -0.07 -0.11 0.00 2.06 0.00 0.00 58.89 60.77 1bxc h TRP 154 Cb 0.64 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1bxc h TRP 154 CO 0.00 0.58 -0.18 -0.44 -3.56 0.00 0.00 178.44 174.84 1bxc h ASP 155 N 0.29 0.76 -0.34 -3.49 3.32 -1.86 -2.28 116.42 112.83 1bxc h ASP 155 Ca 0.09 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1bxc h ASP 155 Cb 0.35 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1bxc h ASP 155 CO 0.01 0.94 0.10 -0.50 -1.72 0.00 0.00 179.24 178.07 1bxc h TRP 156 N 0.67 0.62 0.00 4.55 6.55 -1.33 -2.26 115.95 124.75 1bxc h TRP 156 Ca 0.10 -0.04 -0.27 0.00 0.95 0.00 0.00 58.89 59.64 1bxc h TRP 156 Cb 0.68 -0.19 -0.05 0.00 -0.86 0.00 0.00 29.16 28.74 1bxc h TRP 156 CO 0.03 0.53 -1.61 -0.39 -1.05 0.00 0.00 178.44 175.95 1bxc h VAL 157 N 0.60 0.82 -0.70 1.49 -1.51 -1.30 -3.32 116.25 112.34 1bxc h VAL 157 Ca 0.14 -2.61 0.13 0.00 -1.23 0.00 0.00 66.70 63.13 1bxc h VAL 157 Cb 0.22 2.37 -0.09 0.00 -2.13 0.00 0.00 31.29 31.66 1bxc h VAL 157 CO -0.00 0.47 0.24 0.03 -1.23 0.00 0.00 177.57 177.08 1bxc h ARG 158 N 0.00 0.37 -0.29 5.19 3.08 -1.36 -1.37 114.38 120.00 1bxc h ARG 158 Ca -0.25 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1bxc h ARG 158 Cb 1.92 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 1bxc h ARG 158 CO 0.08 0.25 0.18 1.49 -1.07 0.00 0.00 179.97 180.89 1bxc h GLU 159 N 0.38 0.39 0.08 0.04 4.81 -1.50 0.15 114.58 118.93 1bxc h GLU 159 Ca 0.38 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.30 1bxc h GLU 159 Cb 0.56 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1bxc h GLU 159 CO -0.40 0.29 -1.37 -1.00 -0.73 0.00 0.00 179.01 175.80 1bxc h PRO 160 N 0.37 0.16 -0.05 0.92 0.13 -1.64 -1.15 132.00 130.74 1bxc h PRO 160 Ca 0.10 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1bxc h PRO 160 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 1bxc h PRO 160 CO -0.02 1.03 0.03 -0.07 -0.23 0.00 0.00 178.00 178.74 1bxc h LEU 161 N 0.04 0.05 -0.72 1.56 3.38 -1.09 0.67 115.31 119.21 1bxc h LEU 161 Ca -0.17 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1bxc h LEU 161 Cb 1.95 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.64 1bxc h LEU 161 CO 0.15 0.04 0.44 0.78 0.09 0.00 0.00 178.44 179.94 1bxc h ASN 162 N 0.06 0.69 -0.47 -0.43 2.35 -0.77 -0.08 115.58 116.93 1bxc h ASN 162 Ca 0.02 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1bxc h ASN 162 Cb -0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1bxc h ASN 162 CO -0.01 0.46 -0.03 0.15 -1.65 0.00 0.00 177.43 176.36 1bxc h PHE 163 N 0.83 0.98 -0.32 1.19 3.04 -0.83 -2.11 116.94 119.72 1bxc h PHE 163 Ca 0.30 -0.16 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 1bxc h PHE 163 Cb 0.10 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1bxc h PHE 163 CO -0.05 0.90 0.01 0.52 -2.02 0.00 0.00 178.31 177.67 1bxc h MET 164 N 0.83 0.56 -0.47 1.11 2.86 0.14 -1.26 114.93 118.71 1bxc h MET 164 Ca 0.15 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1bxc h MET 164 Cb 0.53 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1bxc h MET 164 CO 0.03 0.69 0.25 0.00 1.06 0.00 0.00 176.91 178.93 1bxc h ALA 165 N 0.85 1.55 -0.03 6.32 0.00 -0.97 -1.94 119.26 125.04 1bxc h ALA 165 Ca 0.09 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1bxc h ALA 165 Cb 0.43 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1bxc h ALA 165 CO 0.01 0.37 -0.93 0.00 0.00 0.00 0.00 179.25 178.71 1bxc h ALA 166 N 1.62 0.16 -0.89 0.00 0.00 -1.22 -2.48 119.26 116.45 1bxc h ALA 166 Ca 0.17 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1bxc h ALA 166 Cb 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bxc h ALA 166 CO -0.03 0.64 0.58 -0.92 0.00 0.00 0.00 179.25 179.52 1bxc h TYR 167 N 0.36 1.13 -0.27 0.00 3.20 -1.12 -0.90 116.97 119.36 1bxc h TYR 167 Ca -0.11 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.70 1bxc h TYR 167 Cb 1.59 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1bxc h TYR 167 CO 0.11 0.72 -0.15 0.00 -1.64 0.00 0.00 178.16 177.19 1bxc h ALA 168 N 1.43 0.38 0.00 1.82 0.00 -1.27 -1.20 119.26 120.43 1bxc h ALA 168 Ca 0.33 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1bxc h ALA 168 Cb -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1bxc h ALA 168 CO -0.07 0.28 -0.37 1.05 0.00 0.00 0.00 179.25 180.14 1bxc h GLU 169 N 0.32 0.00 -0.32 0.00 4.11 -1.33 0.07 114.58 117.42 1bxc h GLU 169 Ca 0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.35 1bxc h GLU 169 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1bxc h GLU 169 CO 0.04 0.37 -0.37 0.22 0.07 0.00 0.00 179.01 179.34 1bxc h ASP 170 N 0.00 0.80 0.41 3.06 3.58 -0.93 -2.96 116.42 120.38 1bxc h ASP 170 Ca -0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1bxc h ASP 170 Cb 0.92 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1bxc h ASP 170 CO 0.05 1.08 -0.29 0.00 -2.88 0.00 0.00 179.24 177.20 1bxc n GLN 171 N -4.05 0.45 -1.92 0.28 1.13 -0.47 -4.93 117.38 107.87 1bxc n GLN 171 Ca -0.02 -0.23 -0.09 0.00 -1.94 0.00 0.00 57.00 54.72 1bxc n GLN 171 Cb 0.52 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.36 1bxc n GLN 171 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxc n GLY 172 N 1.40 0.30 3.80 1.08 0.00 -0.41 -5.02 105.19 106.34 1bxc n GLY 172 Ca 0.10 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1bxc n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxc s TYR 173 N -2.41 3.06 -0.26 1.61 2.02 -0.12 -5.00 117.35 116.24 1bxc s TYR 173 Ca 0.00 1.55 0.13 0.00 -0.37 0.00 0.00 57.07 58.38 1bxc s TYR 173 Cb 0.00 -3.01 0.73 0.00 -0.40 0.00 0.00 41.96 39.28 1bxc s TYR 173 CO 0.00 -0.83 1.69 0.41 -1.57 0.00 0.00 175.55 175.25 1bxc n GLY 174 N -0.63 3.52 3.74 0.71 0.00 -1.26 -4.54 105.19 106.73 1bxc n GLY 174 Ca 0.09 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1bxc n GLY 174 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxc s TYR 175 N -2.88 2.80 0.05 1.61 2.02 -1.26 -4.93 117.35 114.75 1bxc s TYR 175 Ca 0.52 0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 57.71 1bxc s TYR 175 Cb 0.41 -4.11 -0.06 0.00 -0.40 0.00 0.00 41.96 37.80 1bxc s TYR 175 CO 0.13 -3.93 0.39 1.03 -1.57 0.00 0.00 175.55 171.60 1bxc s ARG 176 N 0.14 3.78 -0.21 -0.62 0.52 -0.81 -4.98 118.95 116.77 1bxc s ARG 176 Ca 0.68 0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 56.02 1bxc s ARG 176 Cb -0.49 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1bxc s ARG 176 CO 0.42 0.60 0.09 -0.06 0.02 0.00 0.00 175.30 176.37 1bxc s PHE 177 N -1.32 3.24 -0.21 -0.53 0.40 0.93 -1.34 117.98 119.16 1bxc s PHE 177 Ca 0.30 0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1bxc s PHE 177 Cb -0.14 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.23 1bxc s PHE 177 CO 0.17 0.04 -0.11 0.00 0.70 0.00 0.00 175.22 176.01 1bxc s ALA 178 N 0.79 2.58 -0.20 5.36 0.00 0.16 0.29 121.76 130.74 1bxc s ALA 178 Ca 0.05 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 1bxc s ALA 178 Cb -0.13 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1bxc s ALA 178 CO 0.02 -0.50 0.27 -0.51 0.00 0.00 0.00 175.76 175.03 1bxc s LEU 179 N 1.35 4.17 -0.38 0.00 1.43 0.10 -0.86 118.68 124.50 1bxc s LEU 179 Ca 0.04 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1bxc s LEU 179 Cb -0.14 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 43.84 1bxc s LEU 179 CO -0.08 0.05 0.18 -0.70 0.23 0.00 0.00 176.35 176.03 1bxc s GLU 180 N 0.88 2.50 0.57 1.70 2.12 -0.09 -1.31 118.70 125.08 1bxc s GLU 180 Ca 0.14 -1.41 -0.17 0.00 0.36 0.00 0.00 54.97 53.89 1bxc s GLU 180 Cb -0.13 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 1bxc s GLU 180 CO 0.04 -0.86 1.06 -1.25 -0.54 0.00 0.00 175.26 173.71 1bxc s PRO 181 N 1.36 3.42 -0.20 4.30 0.05 -1.26 -4.10 135.00 138.57 1bxc s PRO 181 Ca 0.02 1.24 -0.14 0.00 0.05 0.00 0.00 61.00 62.17 1bxc s PRO 181 Cb -0.22 -2.04 0.06 0.00 0.05 0.00 0.00 34.50 32.35 1bxc s PRO 181 CO 0.01 -0.74 0.51 0.21 0.05 0.00 0.00 177.00 177.05 1bxc s LYS 182 N -3.89 0.54 0.27 4.56 2.20 -1.06 -4.71 119.74 117.63 1bxc s LYS 182 Ca 0.64 0.86 0.07 0.00 -0.36 0.00 0.00 55.97 57.18 1bxc s LYS 182 Cb -0.16 0.13 0.35 0.00 -1.51 0.00 0.00 37.83 36.64 1bxc s LYS 182 CO 0.33 -0.12 1.62 -1.00 -0.36 0.00 0.00 175.35 175.82 1bxc h PRO 183 N 6.44 0.18 0.00 4.03 0.13 -1.73 -3.36 132.00 137.68 1bxc h PRO 183 Ca -0.32 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1bxc h PRO 183 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bxc h PRO 183 CO 0.22 0.67 0.35 0.27 -0.23 0.00 0.00 178.00 179.29 1bxc n ASN 184 N -3.91 -2.16 -1.77 1.44 6.94 -1.26 -1.92 115.26 112.61 1bxc n ASN 184 Ca -0.02 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 1bxc n ASN 184 Cb 0.57 3.58 0.00 0.00 -2.36 0.00 0.00 39.78 41.57 1bxc n ASN 184 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1bxc n GLU 185 N -0.58 -4.00 0.00 -3.83 2.13 -1.26 -4.75 120.64 108.36 1bxc n GLU 185 Ca -0.07 2.99 0.14 0.00 0.66 0.00 0.00 57.16 60.87 1bxc n GLU 185 Cb 0.59 -3.29 0.73 0.00 0.27 0.00 0.00 31.44 29.73 1bxc n GLU 185 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bxc n PRO 186 N 1.38 0.49 -3.64 5.31 -0.04 -1.25 -4.98 135.00 132.25 1bxc n PRO 186 Ca 0.00 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.17 1bxc n PRO 186 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1bxc n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bxc s ARG 187 N -2.46 3.62 0.30 0.54 1.81 -1.26 -4.98 118.95 116.52 1bxc s ARG 187 Ca 0.29 -0.08 0.05 0.00 -1.72 0.00 0.00 55.73 54.27 1bxc s ARG 187 Cb 0.19 -2.82 0.69 0.00 -0.45 0.00 0.00 34.95 32.56 1bxc s ARG 187 CO 0.41 0.44 1.79 0.78 -0.68 0.00 0.00 175.30 178.04 1bxc h GLY 188 N 2.70 1.75 -5.48 -3.53 0.00 -1.96 -3.39 103.07 93.16 1bxc h GLY 188 Ca -0.46 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 46.30 1bxc h GLY 188 CO 0.72 -0.01 -0.54 0.99 0.00 0.00 0.00 176.54 177.71 1bxc s ASP 189 N -5.49 -0.16 -0.14 0.19 1.01 -1.16 -4.68 116.67 106.24 1bxc s ASP 189 Ca -0.11 0.32 -0.07 0.00 0.71 0.00 0.00 52.55 53.40 1bxc s ASP 189 Cb 0.24 0.32 -0.04 0.00 1.01 0.00 0.00 42.92 44.45 1bxc s ASP 189 CO 0.80 -0.06 0.10 -0.63 0.21 0.00 0.00 175.17 175.59 1bxc s ILE 190 N 0.16 5.16 0.14 0.77 1.01 -0.81 -1.69 121.20 125.94 1bxc s ILE 190 Ca -0.01 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 1bxc s ILE 190 Cb -0.02 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 1bxc s ILE 190 CO -0.00 0.55 1.76 1.88 0.00 0.00 0.00 174.94 179.13 1bxc h TYR 191 N 5.68 0.50 -2.52 3.97 0.05 -1.55 -3.31 116.97 119.78 1bxc h TYR 191 Ca -0.48 -0.00 -0.74 0.00 0.05 0.00 0.00 58.73 57.56 1bxc h TYR 191 Cb 1.20 -0.16 -0.20 0.00 1.01 0.00 0.00 36.73 38.58 1bxc h TYR 191 CO 0.66 0.36 1.04 -0.06 -1.05 0.00 0.00 178.16 179.12 1bxc s PHE 192 N -5.96 3.55 -0.12 4.88 0.08 -1.26 -4.82 117.98 114.33 1bxc s PHE 192 Ca -0.13 -2.05 0.20 0.00 0.12 0.00 0.00 56.93 55.06 1bxc s PHE 192 Cb 0.10 -4.21 -0.23 0.00 -0.57 0.00 0.00 43.02 38.11 1bxc s PHE 192 CO 0.73 -1.33 0.49 0.00 -0.10 0.00 0.00 175.22 175.01 1bxc n ALA 193 N 5.31 2.18 -2.36 5.36 0.00 -1.25 -2.57 120.51 127.19 1bxc n ALA 193 Ca 0.31 -0.74 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 1bxc n ALA 193 Cb 0.44 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 1bxc n ALA 193 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bxc s THR 194 N -3.05 1.16 0.16 0.00 -4.23 -1.26 -2.80 115.64 105.60 1bxc s THR 194 Ca -0.07 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.24 1bxc s THR 194 Cb 0.10 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1bxc s THR 194 CO 0.85 -0.29 1.81 0.58 -0.54 0.00 0.00 174.62 177.03 1bxc h VAL 195 N 2.41 1.08 -0.50 2.29 2.07 -1.93 -2.60 116.25 119.06 1bxc h VAL 195 Ca -0.39 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1bxc h VAL 195 Cb 1.23 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1bxc h VAL 195 CO 0.65 0.09 0.33 1.23 0.02 0.00 0.00 177.57 179.90 1bxc h GLY 196 N 0.51 0.65 0.96 2.17 0.00 -1.96 -1.03 103.07 104.37 1bxc h GLY 196 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1bxc h GLY 196 CO -0.05 0.21 0.08 0.23 0.00 0.00 0.00 176.54 177.01 1bxc h SER 197 N 0.59 0.70 0.94 0.19 0.87 -1.87 -1.45 113.55 113.52 1bxc h SER 197 Ca 0.19 -0.26 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 1bxc h SER 197 Cb 0.05 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1bxc h SER 197 CO -0.05 0.78 -0.62 0.24 -0.53 0.00 0.00 176.83 176.65 1bxc h MET 198 N 0.59 0.00 -0.49 2.24 0.00 -1.15 -2.67 114.93 113.45 1bxc h MET 198 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 59.70 59.71 1bxc h MET 198 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.96 1bxc h MET 198 CO 0.01 0.62 -0.18 -0.07 0.00 0.00 0.00 176.91 177.29 1bxc h LEU 199 N 0.00 1.01 -0.38 1.22 3.38 -0.94 -2.77 115.31 116.82 1bxc h LEU 199 Ca -0.01 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 1bxc h LEU 199 Cb 1.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1bxc h LEU 199 CO 0.08 1.17 -0.28 0.00 0.09 0.00 0.00 178.44 179.49 1bxc h ALA 200 N 0.88 0.54 -0.90 1.53 0.00 -1.20 -3.17 119.26 116.95 1bxc h ALA 200 Ca 0.12 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1bxc h ALA 200 Cb 0.75 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1bxc h ALA 200 CO 0.06 0.57 0.59 1.25 0.00 0.00 0.00 179.25 181.72 1bxc h LEU 201 N 0.66 1.04 -1.40 0.00 5.85 -1.44 -2.74 115.31 117.28 1bxc h LEU 201 Ca 0.07 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1bxc h LEU 201 Cb 0.86 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1bxc h LEU 201 CO 0.08 0.76 0.45 0.40 -0.34 0.00 0.00 178.44 179.78 1bxc h ILE 202 N 1.23 1.05 0.00 4.05 2.04 -1.46 -0.75 117.51 123.66 1bxc h ILE 202 Ca 0.33 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1bxc h ILE 202 Cb -0.13 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1bxc h ILE 202 CO -0.07 0.14 0.00 1.41 0.00 0.00 0.00 178.15 179.63 1bxc n HIS 203 N -4.47 0.00 0.28 1.37 8.25 -1.03 -1.79 115.22 117.83 1bxc n HIS 203 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.58 1bxc n HIS 203 Cb 0.19 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1bxc n HIS 203 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bxc n THR 204 N -0.94 0.00 -1.57 1.59 -2.24 -0.29 -5.01 114.28 105.82 1bxc n THR 204 Ca 0.15 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 1bxc n THR 204 Cb 0.07 1.06 0.12 0.00 -2.10 0.00 0.00 70.33 69.48 1bxc n THR 204 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxc s LEU 205 N -1.50 2.20 0.05 3.22 1.43 -0.74 -5.00 118.68 118.33 1bxc s LEU 205 Ca 0.05 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.05 1bxc s LEU 205 Cb 0.05 -3.45 -0.33 0.00 0.03 0.00 0.00 46.19 42.50 1bxc s LEU 205 CO 0.17 -2.35 1.05 -0.33 0.23 0.00 0.00 176.35 175.13 1bxc h GLU 206 N -1.36 0.50 -2.31 1.70 5.08 -1.93 -3.37 114.58 112.90 1bxc h GLU 206 Ca -0.49 -0.81 -0.64 0.00 -1.00 0.00 0.00 59.36 56.42 1bxc h GLU 206 Cb 1.32 0.30 -0.40 0.00 0.50 0.00 0.00 28.75 30.47 1bxc h GLU 206 CO 0.62 1.38 -0.35 0.54 -1.00 0.00 0.00 179.01 180.20 1bxc n ARG 207 N -3.70 2.92 0.27 2.33 5.12 -1.26 -4.93 116.66 117.41 1bxc n ARG 207 Ca -0.14 -4.67 0.11 0.00 -1.93 0.00 0.00 57.85 51.22 1bxc n ARG 207 Cb 1.06 -2.30 0.74 0.00 -1.16 0.00 0.00 32.46 30.80 1bxc n ARG 207 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1bxc h PRO 208 N 4.32 0.00 0.00 5.56 0.11 -1.81 -0.65 132.00 139.52 1bxc h PRO 208 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1bxc h PRO 208 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1bxc h PRO 208 CO 0.92 0.06 0.00 1.05 -0.21 0.00 0.00 178.00 179.82 1bxc h GLU 209 N 0.00 0.00 -0.01 1.05 9.09 -1.92 -1.56 114.58 121.23 1bxc h GLU 209 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bxc h GLU 209 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 1bxc h GLU 209 CO 0.01 0.00 -0.20 0.54 0.05 0.00 0.00 179.01 179.41 1bxc n ARG 210 N -2.91 0.78 -5.20 1.06 5.12 -0.25 -4.88 116.66 110.39 1bxc n ARG 210 Ca -0.01 -0.40 -0.32 0.00 -1.93 0.00 0.00 57.85 55.19 1bxc n ARG 210 Cb 0.16 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 29.80 1bxc n ARG 210 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bxc s PHE 211 N -2.49 2.56 0.00 -1.55 0.40 -0.59 -0.05 117.98 116.26 1bxc s PHE 211 Ca 0.26 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 1bxc s PHE 211 Cb 0.20 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 42.02 1bxc s PHE 211 CO 0.50 -0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.41 1bxc n GLY 212 N 3.54 5.29 3.55 4.36 0.00 0.15 -4.96 105.19 117.12 1bxc n GLY 212 Ca -0.19 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1bxc n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxc s LEU 213 N 0.00 3.01 -0.72 0.99 1.43 0.20 0.01 118.68 123.60 1bxc s LEU 213 Ca 0.00 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1bxc s LEU 213 Cb 0.00 -1.72 0.19 0.00 0.03 0.00 0.00 46.19 44.69 1bxc s LEU 213 CO 0.00 0.29 0.58 -3.20 0.23 0.00 0.00 176.35 174.25 1bxc n ASN 214 N 1.68 3.33 -4.77 2.29 5.15 -0.43 -2.17 115.26 120.35 1bxc n ASN 214 Ca -0.16 -3.25 -0.39 0.00 -0.60 0.00 0.00 54.58 50.18 1bxc n ASN 214 Cb 0.52 -0.78 -0.02 0.00 -0.53 0.00 0.00 39.78 38.97 1bxc n ASN 214 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1bxc s PRO 215 N -1.66 4.20 -0.10 1.20 0.02 -1.26 -4.25 135.00 133.15 1bxc s PRO 215 Ca 0.28 1.98 0.02 0.00 0.02 0.00 0.00 61.00 63.30 1bxc s PRO 215 Cb -0.01 -2.87 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 1bxc s PRO 215 CO -0.14 -0.23 -0.19 -2.00 -0.33 0.00 0.00 177.00 174.11 1bxc s GLU 216 N -2.03 3.10 0.20 5.54 2.12 -1.26 -1.47 118.70 124.90 1bxc s GLU 216 Ca 0.53 -0.79 -0.11 0.00 0.36 0.00 0.00 54.97 54.97 1bxc s GLU 216 Cb -0.34 -2.43 0.24 0.00 0.26 0.00 0.00 34.13 31.85 1bxc s GLU 216 CO 0.44 0.25 1.74 0.35 -0.54 0.00 0.00 175.26 177.50 1bxc h PHE 217 N 6.54 0.34 -0.21 5.30 3.04 -1.73 -2.02 116.94 128.21 1bxc h PHE 217 Ca -0.25 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.63 1bxc h PHE 217 Cb 1.22 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1bxc h PHE 217 CO 0.48 0.09 -0.28 0.00 -2.02 0.00 0.00 178.31 176.58 1bxc h ALA 218 N 1.39 1.14 0.32 2.41 0.00 -1.86 -2.52 119.26 120.14 1bxc h ALA 218 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1bxc h ALA 218 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bxc h ALA 218 CO -0.29 0.55 -0.15 0.45 0.00 0.00 0.00 179.25 179.80 1bxc h HIS 219 N 0.35 -0.39 -0.48 0.00 3.86 -1.71 0.11 115.15 116.90 1bxc h HIS 219 Ca 0.05 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 1bxc h HIS 219 Cb 0.67 0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1bxc h HIS 219 CO 0.02 -0.18 -0.09 1.49 0.86 0.00 0.00 177.93 180.03 1bxc h GLU 220 N -0.53 0.86 -0.07 2.45 4.57 -1.55 -3.12 114.58 117.20 1bxc h GLU 220 Ca -0.04 -0.29 -0.15 0.00 -1.18 0.00 0.00 59.36 57.70 1bxc h GLU 220 Cb 0.39 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1bxc h GLU 220 CO 0.07 0.92 -0.61 1.15 -1.18 0.00 0.00 179.01 179.36 1bxc h THR 221 N 0.78 1.39 -1.27 0.32 2.02 -1.29 -2.46 112.91 112.40 1bxc h THR 221 Ca 0.13 -1.99 0.37 0.00 0.77 0.00 0.00 66.41 65.69 1bxc h THR 221 Cb 0.60 2.01 -0.08 0.00 -1.74 0.00 0.00 68.15 68.94 1bxc h THR 221 CO 0.04 0.59 0.87 0.24 0.37 0.00 0.00 175.52 177.63 1bxc h MET 222 N 0.17 0.12 -0.54 6.66 2.86 -0.71 0.14 114.93 123.62 1bxc h MET 222 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1bxc h MET 222 Cb 1.11 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1bxc h MET 222 CO 0.09 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.14 1bxc n ALA 223 N -2.66 2.61 -1.25 6.32 0.00 -0.98 -2.05 120.51 122.50 1bxc n ALA 223 Ca 0.30 -1.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.20 1bxc n ALA 223 Cb 1.28 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1bxc n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxc n GLY 224 N 0.92 1.02 3.90 0.00 0.00 0.48 -4.96 105.19 106.55 1bxc n GLY 224 Ca 0.21 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1bxc n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxc s LEU 225 N -1.93 4.09 -0.45 0.99 1.43 -0.96 -5.01 118.68 116.84 1bxc s LEU 225 Ca 0.00 0.77 -0.27 0.00 -1.03 0.00 0.00 54.13 53.60 1bxc s LEU 225 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1bxc s LEU 225 CO 0.00 -0.15 1.02 0.21 0.23 0.00 0.00 176.35 177.65 1bxc s ASN 226 N -2.90 6.59 0.34 2.29 3.84 -1.26 -4.17 114.94 119.67 1bxc s ASN 226 Ca 0.45 0.34 0.10 0.00 0.21 0.00 0.00 52.86 53.96 1bxc s ASN 226 Cb -0.11 -2.49 0.62 0.00 -0.55 0.00 0.00 41.25 38.71 1bxc s ASN 226 CO 0.27 -1.10 1.78 0.15 -2.79 0.00 0.00 177.10 175.41 1bxc h PHE 227 N 9.03 0.12 -0.52 0.43 3.57 -1.92 -2.76 116.94 124.90 1bxc h PHE 227 Ca -0.23 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.12 1bxc h PHE 227 Cb 1.07 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1bxc h PHE 227 CO 0.91 0.47 -0.15 0.28 -2.23 0.00 0.00 178.31 177.59 1bxc h VAL 228 N 0.10 1.27 -0.59 1.41 2.07 -1.92 -1.21 116.25 117.37 1bxc h VAL 228 Ca 0.01 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1bxc h VAL 228 Cb 0.70 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1bxc h VAL 228 CO 0.05 0.46 0.29 0.45 0.02 0.00 0.00 177.57 178.84 1bxc h HIS 229 N 0.89 0.85 -0.53 1.57 3.86 -1.95 -2.03 115.15 117.80 1bxc h HIS 229 Ca 0.13 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1bxc h HIS 229 Cb 0.72 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1bxc h HIS 229 CO 0.05 0.65 0.18 0.00 0.86 0.00 0.00 177.93 179.67 1bxc h ALA 230 N 1.12 0.70 0.00 2.45 0.00 -1.25 -2.28 119.26 119.99 1bxc h ALA 230 Ca 0.20 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1bxc h ALA 230 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1bxc h ALA 230 CO -0.03 0.34 -0.49 0.28 0.00 0.00 0.00 179.25 179.35 1bxc h VAL 231 N 0.73 1.26 -0.51 0.00 2.07 -1.19 -2.59 116.25 116.02 1bxc h VAL 231 Ca 0.17 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 1bxc h VAL 231 Cb 0.25 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1bxc h VAL 231 CO -0.01 0.48 -0.06 0.00 0.02 0.00 0.00 177.57 178.00 1bxc h ALA 232 N 1.51 0.70 -0.54 1.67 0.00 -1.10 -0.09 119.26 121.40 1bxc h ALA 232 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1bxc h ALA 232 Cb 0.93 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1bxc h ALA 232 CO 0.06 0.57 0.09 0.37 0.00 0.00 0.00 179.25 180.35 1bxc h GLN 233 N 0.81 0.89 -0.74 0.00 4.15 -1.31 0.72 115.11 119.63 1bxc h GLN 233 Ca 0.14 -0.24 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 1bxc h GLN 233 Cb 0.61 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1bxc h GLN 233 CO 0.04 0.86 0.25 0.00 -1.93 0.00 0.00 178.83 178.06 1bxc h ALA 234 N 0.99 1.04 -0.55 3.38 0.00 -1.27 -1.78 119.26 121.07 1bxc h ALA 234 Ca 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1bxc h ALA 234 Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1bxc h ALA 234 CO 0.01 0.65 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 1bxc h LEU 235 N 1.10 0.87 -1.49 0.00 3.38 -0.47 0.12 115.31 118.81 1bxc h LEU 235 Ca 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bxc h LEU 235 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bxc h LEU 235 CO -0.01 0.91 0.00 -0.78 0.09 0.00 0.00 178.44 178.65 1bxc h ASP 236 N 0.80 0.00 0.43 -0.43 1.82 -0.59 -0.39 116.42 118.07 1bxc h ASP 236 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1bxc h ASP 236 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1bxc h ASP 236 CO 0.01 0.00 -0.79 0.00 -1.61 0.00 0.00 179.24 176.85 1bxc n ALA 237 N -2.05 3.62 -1.53 -0.78 0.00 -0.70 -4.95 120.51 114.13 1bxc n ALA 237 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 1bxc n ALA 237 Cb 0.28 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1bxc n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxc n GLY 238 N 1.43 0.44 0.51 0.00 0.00 -0.15 -4.96 105.19 102.46 1bxc n GLY 238 Ca 0.04 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.27 1bxc n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bxc n LYS 239 N -2.16 2.34 -2.84 1.61 4.76 0.33 -4.90 118.16 117.30 1bxc n LYS 239 Ca -0.03 -2.58 -0.43 0.00 -2.87 0.00 0.00 58.31 52.39 1bxc n LYS 239 Cb 0.29 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1bxc n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bxc s LEU 240 N -2.56 4.42 -0.02 -0.35 2.96 -1.23 0.61 118.68 122.52 1bxc s LEU 240 Ca 0.34 -1.22 0.21 0.00 -0.22 0.00 0.00 54.13 53.24 1bxc s LEU 240 Cb 0.28 -2.43 -0.28 0.00 0.50 0.00 0.00 46.19 44.25 1bxc s LEU 240 CO 0.07 -1.39 0.67 0.18 -1.32 0.00 0.00 176.35 174.56 1bxc n LEU 241 N 7.61 0.46 -3.55 -0.68 4.32 -0.92 -4.89 117.00 119.35 1bxc n LEU 241 Ca 0.05 -0.24 -0.10 0.00 -0.02 0.00 0.00 56.01 55.70 1bxc n LEU 241 Cb 0.47 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.23 1bxc n LEU 241 CO 0.62 0.12 0.76 -2.28 -1.22 0.00 0.00 177.39 175.38 1bxc s HIS 242 N -3.24 -0.35 -0.03 -1.77 2.46 -1.13 -4.69 115.29 106.54 1bxc s HIS 242 Ca -0.00 0.47 -0.01 0.00 0.47 0.00 0.00 55.06 55.98 1bxc s HIS 242 Cb 0.15 0.48 0.02 0.00 -0.13 0.00 0.00 32.58 33.10 1bxc s HIS 242 CO 0.87 -0.40 0.06 -1.50 -2.47 0.00 0.00 174.74 171.31 1bxc s ILE 243 N -1.84 -0.03 -0.24 0.89 2.07 -1.25 -4.04 121.20 116.77 1bxc s ILE 243 Ca 0.01 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.28 1bxc s ILE 243 Cb -0.01 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.44 1bxc s ILE 243 CO -0.02 0.04 0.06 -1.81 -1.91 0.00 0.00 174.94 171.30 1bxc s ASP 244 N 0.55 5.15 -0.10 4.50 1.01 -0.54 -2.23 116.67 125.00 1bxc s ASP 244 Ca -0.04 -0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.03 1bxc s ASP 244 Cb -0.06 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 1bxc s ASP 244 CO -0.02 -0.01 -0.10 -0.76 0.21 0.00 0.00 175.17 174.49 1bxc s LEU 245 N 1.47 2.94 0.00 1.23 1.02 0.15 -2.06 118.68 123.43 1bxc s LEU 245 Ca 0.06 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1bxc s LEU 245 Cb -0.15 -1.65 0.00 0.00 0.02 0.00 0.00 46.19 44.41 1bxc s LEU 245 CO 0.03 0.25 0.00 -0.46 0.02 0.00 0.00 176.35 176.19 1bxc n ASN 246 N 2.97 0.00 -4.39 2.29 2.04 -1.26 -2.05 115.26 114.85 1bxc n ASN 246 Ca -0.18 -0.81 -0.20 0.00 -0.44 0.00 0.00 54.58 52.96 1bxc n ASN 246 Cb 0.53 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.67 1bxc n ASN 246 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1bxc s GLY 247 N -2.17 1.73 -0.29 4.83 0.00 -0.62 -4.52 107.32 106.29 1bxc s GLY 247 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 44.72 42.64 1bxc s GLY 247 CO 0.00 -1.78 1.05 1.62 0.00 0.00 0.00 173.10 173.99 1bxc s GLN 248 N -3.78 0.43 0.08 2.90 2.00 -1.26 -1.39 119.66 118.64 1bxc s GLN 248 Ca 0.29 0.57 -0.21 0.00 -2.00 0.00 0.00 55.36 54.01 1bxc s GLN 248 Cb 0.05 0.18 -0.07 0.00 0.80 0.00 0.00 33.01 33.96 1bxc s GLN 248 CO 0.11 -0.06 0.62 1.03 -0.50 0.00 0.00 175.29 176.49 1bxc s ARG 249 N 0.54 4.30 0.57 1.67 0.52 -1.26 -4.83 118.95 120.47 1bxc s ARG 249 Ca -0.00 0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 55.84 1bxc s ARG 249 Cb -0.05 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1bxc s ARG 249 CO -0.10 0.58 1.28 -1.64 0.02 0.00 0.00 175.30 175.44 1bxc s MET 250 N -0.98 3.05 -0.72 3.54 -1.94 -1.26 -4.32 119.30 116.67 1bxc s MET 250 Ca 0.31 2.02 -0.02 0.00 -1.71 0.00 0.00 55.69 56.30 1bxc s MET 250 Cb -0.20 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.54 1bxc s MET 250 CO 0.20 -1.20 0.61 0.09 -0.01 0.00 0.00 175.02 174.72 1bxc n ASN 251 N -1.30 -2.86 -2.60 3.03 3.02 -0.87 -4.99 115.26 108.69 1bxc n ASN 251 Ca 0.12 -0.34 -0.05 0.00 -0.03 0.00 0.00 54.58 54.28 1bxc n ASN 251 Cb 0.47 -3.14 0.02 0.00 -0.61 0.00 0.00 39.78 36.52 1bxc n ASN 251 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1bxc n ARG 252 N -2.90 0.76 -1.05 3.52 0.00 -1.26 -5.08 116.66 110.65 1bxc n ARG 252 Ca -0.11 -1.55 -0.36 0.00 -0.00 0.00 0.00 57.85 55.83 1bxc n ARG 252 Cb 0.58 1.99 0.05 0.00 -0.00 0.00 0.00 32.46 35.08 1bxc n ARG 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1bxc n PHE 253 N -0.49 -3.43 -2.31 2.89 -1.74 -1.26 -4.84 117.46 106.28 1bxc n PHE 253 Ca -0.05 0.17 -0.43 0.00 -0.56 0.00 0.00 57.45 56.58 1bxc n PHE 253 Cb 0.47 -1.62 -0.02 0.00 1.52 0.00 0.00 39.48 39.83 1bxc n PHE 253 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bxc s ASP 254 N -1.25 6.43 -0.01 5.98 2.15 -1.26 -4.89 116.67 123.82 1bxc s ASP 254 Ca 0.50 1.12 0.01 0.00 0.43 0.00 0.00 52.55 54.62 1bxc s ASP 254 Cb -0.27 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.55 1bxc s ASP 254 CO 0.73 -1.30 0.79 1.56 -0.17 0.00 0.00 175.17 176.78 1bxc h GLN 255 N 10.36 0.17 -6.26 4.34 4.20 -1.88 -3.49 115.11 122.55 1bxc h GLN 255 Ca -0.28 -0.29 -0.45 0.00 0.06 0.00 0.00 58.65 57.69 1bxc h GLN 255 Cb 1.11 0.11 0.02 0.00 0.30 0.00 0.00 27.48 29.03 1bxc h GLN 255 CO 1.05 0.97 -0.88 -0.25 -0.67 0.00 0.00 178.83 179.05 1bxc n ASP 256 N -3.35 -1.91 -4.78 1.46 8.00 -1.25 -4.79 116.55 109.94 1bxc n ASP 256 Ca -0.17 -0.94 -0.31 0.00 0.71 0.00 0.00 54.79 54.09 1bxc n ASP 256 Cb 1.04 -3.54 0.09 0.00 -0.02 0.00 0.00 41.12 38.69 1bxc n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bxc s LEU 257 N -6.71 2.81 0.40 0.64 1.43 -0.49 -2.07 118.68 114.70 1bxc s LEU 257 Ca 0.12 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 54.57 1bxc s LEU 257 Cb -0.04 -4.27 -0.11 0.00 0.03 0.00 0.00 46.19 41.80 1bxc s LEU 257 CO 0.85 -1.99 1.01 -1.14 0.23 0.00 0.00 176.35 175.31 1bxc n ARG 258 N -3.48 1.36 -1.86 1.70 0.63 -1.26 -1.59 116.66 112.16 1bxc n ARG 258 Ca 0.08 0.49 -0.42 0.00 -0.92 0.00 0.00 57.85 57.08 1bxc n ARG 258 Cb 0.54 -2.02 -0.02 0.00 0.45 0.00 0.00 32.46 31.42 1bxc n ARG 258 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1bxc s PHE 259 N -1.25 2.88 0.00 -0.14 5.36 -1.26 -2.52 117.98 121.05 1bxc s PHE 259 Ca 0.62 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1bxc s PHE 259 Cb -0.57 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.13 1bxc s PHE 259 CO 0.57 -3.32 0.00 0.41 -1.46 0.00 0.00 175.22 171.42 1bxc n GLY 260 N 2.43 1.00 0.23 13.12 0.00 -1.26 -4.75 105.19 115.96 1bxc n GLY 260 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1bxc n GLY 260 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bxc h SER 261 N 0.00 0.00 0.00 1.61 4.64 -1.86 -3.37 113.55 114.57 1bxc h SER 261 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1bxc h SER 261 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bxc h SER 261 CO 0.00 0.00 -1.02 1.21 -0.87 0.00 0.00 176.83 176.16 1bxc n GLU 262 N -3.10 0.01 -3.67 4.77 4.07 -1.26 -4.89 120.64 116.57 1bxc n GLU 262 Ca 0.03 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.78 1bxc n GLU 262 Cb 0.47 -0.55 -0.07 0.00 -0.06 0.00 0.00 31.44 31.23 1bxc n GLU 262 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1bxc s ASN 263 N -4.95 5.84 0.17 4.31 0.01 -1.26 -4.92 114.94 114.13 1bxc s ASN 263 Ca -0.00 -3.72 -0.14 0.00 -0.71 0.00 0.00 52.86 48.28 1bxc s ASN 263 Cb 0.00 -1.87 0.05 0.00 0.41 0.00 0.00 41.25 39.84 1bxc s ASN 263 CO 0.01 -0.18 1.82 -0.07 -1.51 0.00 0.00 177.10 177.17 1bxc h LEU 264 N 5.96 0.60 -0.73 0.60 3.38 -1.91 -1.47 115.31 121.75 1bxc h LEU 264 Ca 0.15 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1bxc h LEU 264 Cb 0.81 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1bxc h LEU 264 CO 0.84 0.46 -0.04 0.50 0.09 0.00 0.00 178.44 180.28 1bxc h LYS 265 N 0.69 0.93 -0.34 1.13 3.64 -1.93 -0.61 116.57 120.08 1bxc h LYS 265 Ca 0.19 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 1bxc h LYS 265 Cb -0.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1bxc h LYS 265 CO -0.04 0.95 -0.28 0.00 -2.27 0.00 0.00 179.45 177.80 1bxc h ALA 266 N 1.10 0.49 -0.32 5.00 0.00 -1.94 -2.58 119.26 121.00 1bxc h ALA 266 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1bxc h ALA 266 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1bxc h ALA 266 CO 0.03 0.51 0.06 0.00 0.00 0.00 0.00 179.25 179.85 1bxc h ALA 267 N 0.75 1.50 0.77 0.00 0.00 -1.17 -1.73 119.26 119.37 1bxc h ALA 267 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1bxc h ALA 267 Cb 0.86 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1bxc h ALA 267 CO 0.07 0.37 -0.37 0.35 0.00 0.00 0.00 179.25 179.67 1bxc h PHE 268 N 0.47 -0.96 0.00 0.00 3.57 -0.93 -1.21 116.94 117.87 1bxc h PHE 268 Ca 0.11 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1bxc h PHE 268 Cb 0.21 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1bxc h PHE 268 CO 0.01 -0.58 0.00 -0.07 -2.23 0.00 0.00 178.31 175.44 1bxc h LEU 269 N -1.18 0.00 0.01 0.59 -0.00 -1.47 -1.38 115.31 111.88 1bxc h LEU 269 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1bxc h LEU 269 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1bxc h LEU 269 CO 0.17 0.00 -0.01 0.25 -0.00 0.00 0.00 178.44 178.86 1bxc h LEU 270 N 0.00 -0.01 -1.20 1.67 5.85 -1.14 -1.32 115.31 119.16 1bxc h LEU 270 Ca 0.00 -0.78 0.05 0.00 0.84 0.00 0.00 57.88 57.99 1bxc h LEU 270 Cb 0.40 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1bxc h LEU 270 CO 0.00 0.79 0.56 0.58 -0.34 0.00 0.00 178.44 180.03 1bxc h VAL 271 N -0.84 1.09 -0.33 1.05 2.07 -1.10 -0.64 116.25 117.56 1bxc h VAL 271 Ca -0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1bxc h VAL 271 Cb 0.79 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1bxc h VAL 271 CO 0.00 0.18 0.16 -0.78 0.02 0.00 0.00 177.57 177.16 1bxc h ASP 272 N 1.00 0.42 -0.06 0.57 3.58 -1.27 -1.28 116.42 119.39 1bxc h ASP 272 Ca 0.35 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1bxc h ASP 272 Cb 0.13 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1bxc h ASP 272 CO -0.12 0.42 0.04 0.25 -2.88 0.00 0.00 179.24 176.95 1bxc h LEU 273 N 0.40 0.07 0.03 2.28 5.85 -0.55 -1.83 115.31 121.55 1bxc h LEU 273 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1bxc h LEU 273 Cb 0.10 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1bxc h LEU 273 CO -0.02 0.05 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.05 1bxc h LEU 274 N 0.07 -0.03 -0.24 2.25 3.38 -1.00 -2.15 115.31 117.59 1bxc h LEU 274 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1bxc h LEU 274 Cb -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1bxc h LEU 274 CO -0.00 0.08 0.02 -0.33 0.09 0.00 0.00 178.44 178.30 1bxc h GLU 275 N -0.14 0.41 0.00 1.13 4.39 -1.20 -2.69 114.58 116.48 1bxc h GLU 275 Ca -0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1bxc h GLU 275 Cb 0.13 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1bxc h GLU 275 CO 0.01 0.56 0.00 -1.13 -1.16 0.00 0.00 179.01 177.29 1bxc n SER 276 N -4.67 0.00 0.02 1.42 3.41 -0.69 -2.21 113.62 110.89 1bxc n SER 276 Ca -0.04 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.44 1bxc n SER 276 Cb 0.22 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1bxc n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bxc n SER 277 N -1.24 0.63 -0.39 4.04 7.64 -0.81 -4.96 113.62 118.52 1bxc n SER 277 Ca 0.15 -0.27 -0.04 0.00 1.01 0.00 0.00 58.87 59.72 1bxc n SER 277 Cb 0.21 0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 64.18 1bxc n SER 277 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxc n GLY 278 N 1.39 0.42 3.72 0.23 0.00 -0.94 -4.99 105.19 105.03 1bxc n GLY 278 Ca 0.02 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1bxc n GLY 278 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bxc n TYR 279 N -3.50 2.69 -0.15 1.61 9.36 -1.13 -4.91 117.16 121.14 1bxc n TYR 279 Ca -0.04 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.39 1bxc n TYR 279 Cb 0.35 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.47 1bxc n TYR 279 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1bxc n GLN 280 N 2.74 -0.40 -1.68 2.98 1.13 -1.26 -4.91 117.38 115.98 1bxc n GLN 280 Ca 0.12 -0.55 -0.28 0.00 -1.94 0.00 0.00 57.00 54.35 1bxc n GLN 280 Cb 0.35 -0.93 0.20 0.00 0.11 0.00 0.00 30.24 29.98 1bxc n GLN 280 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxc n GLY 281 N -0.06 -1.70 3.76 1.08 0.00 -1.26 -5.02 105.19 101.99 1bxc n GLY 281 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1bxc n GLY 281 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bxc s PRO 282 N -5.72 3.61 -0.68 1.61 0.02 -1.26 -4.94 135.00 127.63 1bxc s PRO 282 Ca 0.71 2.13 -0.14 0.00 0.02 0.00 0.00 61.00 63.73 1bxc s PRO 282 Cb -0.03 -2.50 0.18 0.00 0.02 0.00 0.00 34.50 32.17 1bxc s PRO 282 CO 0.51 -0.78 0.62 1.03 -0.33 0.00 0.00 177.00 178.05 1bxc s ARG 283 N -2.59 3.26 -0.04 5.54 3.00 0.12 -3.83 118.95 124.40 1bxc s ARG 283 Ca 0.64 -2.12 -0.20 0.00 0.00 0.00 0.00 55.73 54.04 1bxc s ARG 283 Cb -0.37 -4.32 -0.05 0.00 0.00 0.00 0.00 34.95 30.20 1bxc s ARG 283 CO 0.46 -1.30 0.59 -1.58 0.00 0.00 0.00 175.30 173.47 1bxc s HIS 284 N 0.80 3.63 -0.72 -0.53 2.46 -0.95 -0.99 115.29 118.99 1bxc s HIS 284 Ca 0.11 1.14 -0.16 0.00 0.47 0.00 0.00 55.06 56.62 1bxc s HIS 284 Cb -0.19 -2.63 0.16 0.00 -0.13 0.00 0.00 32.58 29.79 1bxc s HIS 284 CO -0.03 0.27 0.74 -0.06 -2.47 0.00 0.00 174.74 173.18 1bxc s PHE 285 N 0.15 3.37 -1.22 3.88 0.08 -0.69 0.30 117.98 123.87 1bxc s PHE 285 Ca 0.31 -1.50 -0.14 0.00 0.12 0.00 0.00 56.93 55.71 1bxc s PHE 285 Cb -0.17 -3.92 0.16 0.00 -0.57 0.00 0.00 43.02 38.51 1bxc s PHE 285 CO 0.16 -1.14 1.47 0.34 -0.10 0.00 0.00 175.22 175.95 1bxc s ASP 286 N 3.05 7.04 0.06 1.36 2.15 -0.87 -4.40 116.67 125.06 1bxc s ASP 286 Ca 0.15 -2.92 -0.18 0.00 0.43 0.00 0.00 52.55 50.03 1bxc s ASP 286 Cb -0.17 -2.42 0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1bxc s ASP 286 CO -0.03 -0.80 0.42 0.00 -0.17 0.00 0.00 175.17 174.59 1bxc s ALA 287 N 1.92 -1.02 0.20 3.66 0.00 -1.26 -4.70 121.76 120.56 1bxc s ALA 287 Ca 0.44 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1bxc s ALA 287 Cb -0.02 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1bxc s ALA 287 CO 0.01 -0.50 -0.13 -3.38 0.00 0.00 0.00 175.76 171.76 1bxc s HIS 288 N -2.79 1.68 0.70 0.00 -3.43 -0.88 -4.39 115.29 106.18 1bxc s HIS 288 Ca -0.03 -0.61 -0.15 0.00 -0.80 0.00 0.00 55.06 53.46 1bxc s HIS 288 Cb -0.00 -0.81 0.02 0.00 -1.43 0.00 0.00 32.58 30.36 1bxc s HIS 288 CO -0.05 0.31 1.18 0.00 -2.00 0.00 0.00 174.74 174.19 1bxc s ALA 289 N -3.03 2.26 0.68 -1.38 0.00 -1.26 -4.43 121.76 114.60 1bxc s ALA 289 Ca 0.23 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 1bxc s ALA 289 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1bxc s ALA 289 CO 0.07 -1.64 1.12 1.28 0.00 0.00 0.00 175.76 176.59 1bxc n LEU 290 N -2.51 4.67 0.00 0.00 4.77 -1.26 -4.88 117.00 117.79 1bxc n LEU 290 Ca 0.13 0.74 0.08 0.00 -0.03 0.00 0.00 56.01 56.93 1bxc n LEU 290 Cb 0.51 -1.48 0.41 0.00 -2.33 0.00 0.00 43.42 40.53 1bxc n LEU 290 CO 0.47 -1.56 0.76 -1.14 -1.33 0.00 0.00 177.39 174.59 1bxc n ARG 291 N -1.92 0.16 -0.02 3.23 0.63 -1.26 -2.24 116.66 115.24 1bxc n ARG 291 Ca 0.14 0.15 0.11 0.00 -0.92 0.00 0.00 57.85 57.33 1bxc n ARG 291 Cb 0.49 -1.50 0.54 0.00 0.45 0.00 0.00 32.46 32.44 1bxc n ARG 291 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1bxc n THR 292 N -1.36 0.06 -4.10 5.15 -2.24 -1.26 -4.92 114.28 105.61 1bxc n THR 292 Ca 0.07 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.40 1bxc n THR 292 Cb 0.16 -0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 1bxc n THR 292 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bxc s GLU 293 N -1.94 3.02 0.10 -0.78 0.41 -0.95 -5.10 118.70 113.47 1bxc s GLU 293 Ca 0.32 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1bxc s GLU 293 Cb 0.16 -2.83 0.02 0.00 -1.78 0.00 0.00 34.13 29.70 1bxc s GLU 293 CO 0.26 0.63 0.14 -0.40 -0.49 0.00 0.00 175.26 175.40 1bxc n ASP 294 N 1.07 0.23 -0.12 -0.19 5.75 -1.26 -4.89 116.55 117.15 1bxc n ASP 294 Ca -0.12 -1.19 -0.01 0.00 -0.01 0.00 0.00 54.79 53.46 1bxc n ASP 294 Cb 0.52 -0.09 0.23 0.00 -1.03 0.00 0.00 41.12 40.76 1bxc n ASP 294 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1bxc h GLU 295 N 0.00 0.80 -0.71 0.11 4.81 -2.00 -0.19 114.58 117.40 1bxc h GLU 295 Ca -0.05 -0.13 0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1bxc h GLU 295 Cb 0.18 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1bxc h GLU 295 CO 0.05 0.67 0.35 0.93 -0.73 0.00 0.00 179.01 180.29 1bxc h GLU 296 N 0.78 0.58 0.00 1.92 5.08 -2.00 -1.11 114.58 119.83 1bxc h GLU 296 Ca 0.18 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1bxc h GLU 296 Cb 0.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1bxc h GLU 296 CO -0.01 0.38 -0.24 0.78 -1.00 0.00 0.00 179.01 178.92 1bxc h GLY 297 N 0.60 0.00 0.92 -3.84 0.00 -1.41 -2.42 103.07 96.91 1bxc h GLY 297 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1bxc h GLY 297 CO -0.27 0.00 0.11 -2.08 0.00 0.00 0.00 176.54 174.30 1bxc h VAL 298 N 0.00 1.20 0.00 4.60 2.07 -0.62 -0.96 116.25 122.54 1bxc h VAL 298 Ca -0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1bxc h VAL 298 Cb 0.52 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1bxc h VAL 298 CO 0.03 0.22 -0.03 -0.50 0.02 0.00 0.00 177.57 177.31 1bxc h TRP 299 N 0.38 0.00 0.01 1.57 -0.00 -1.26 -0.55 115.95 116.10 1bxc h TRP 299 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 58.89 58.80 1bxc h TRP 299 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1bxc h TRP 299 CO 0.00 0.03 -0.90 0.00 -0.00 0.00 0.00 178.44 177.57 1bxc h ALA 300 N 1.97 0.49 -0.14 1.49 0.00 -1.26 -1.03 119.26 120.78 1bxc h ALA 300 Ca -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1bxc h ALA 300 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1bxc h ALA 300 CO 0.00 0.94 0.04 0.35 0.00 0.00 0.00 179.25 180.58 1bxc h PHE 301 N 0.10 0.23 -0.05 0.00 3.57 -0.42 -0.77 116.94 119.60 1bxc h PHE 301 Ca -0.05 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1bxc h PHE 301 Cb 1.54 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 1bxc h PHE 301 CO 0.03 0.35 0.03 0.00 -2.23 0.00 0.00 178.31 176.49 1bxc h ALA 302 N 0.85 0.07 -0.80 2.41 0.00 -1.03 -1.98 119.26 118.78 1bxc h ALA 302 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1bxc h ALA 302 Cb 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1bxc h ALA 302 CO -0.00 -0.38 0.53 0.00 0.00 0.00 0.00 179.25 179.39 1bxc h ARG 303 N -0.02 0.94 -0.17 0.00 3.08 -1.21 -2.84 114.38 114.17 1bxc h ARG 303 Ca 0.02 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1bxc h ARG 303 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1bxc h ARG 303 CO -0.00 0.62 -0.54 0.78 -1.07 0.00 0.00 179.97 179.77 1bxc h GLY 304 N 0.97 0.53 0.43 0.04 0.00 -0.59 -1.75 103.07 102.70 1bxc h GLY 304 Ca 0.32 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1bxc h GLY 304 CO -0.10 0.54 -0.34 0.00 0.00 0.00 0.00 176.54 176.65 1bxc h MET 306 N -0.58 0.73 -0.69 0.00 2.86 -1.53 -2.57 114.93 113.16 1bxc h MET 306 Ca 0.02 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1bxc h MET 306 Cb 0.60 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1bxc h MET 306 CO -0.19 0.84 0.22 -0.09 1.06 0.00 0.00 176.91 178.76 1bxc h ARG 307 N 0.56 1.07 -0.53 1.72 2.43 -1.34 -1.69 114.38 116.59 1bxc h ARG 307 Ca 0.11 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1bxc h ARG 307 Cb 0.53 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1bxc h ARG 307 CO 0.03 0.92 0.08 1.15 -1.51 0.00 0.00 179.97 180.63 1bxc h THR 308 N 1.01 1.24 -0.06 0.20 2.02 -1.24 -1.62 112.91 114.46 1bxc h THR 308 Ca 0.22 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1bxc h THR 308 Cb 0.29 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1bxc h THR 308 CO -0.01 0.33 0.03 0.22 0.37 0.00 0.00 175.52 176.46 1bxc h TYR 309 N 0.80 0.08 -0.32 3.16 5.03 -1.06 -2.71 116.97 121.94 1bxc h TYR 309 Ca 0.17 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.42 1bxc h TYR 309 Cb 0.37 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 1bxc h TYR 309 CO 0.02 0.16 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.93 1bxc h LEU 310 N -0.02 0.48 -0.36 2.82 3.38 -1.02 -1.36 115.31 119.23 1bxc h LEU 310 Ca 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1bxc h LEU 310 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1bxc h LEU 310 CO -0.00 0.56 0.06 0.40 0.09 0.00 0.00 178.44 179.55 1bxc h ILE 311 N 0.49 1.24 -0.35 1.22 2.04 -1.28 -2.47 117.51 118.39 1bxc h ILE 311 Ca 0.10 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 1bxc h ILE 311 Cb 0.35 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1bxc h ILE 311 CO 0.01 0.28 -0.25 -0.07 0.00 0.00 0.00 178.15 178.12 1bxc h LEU 312 N 0.44 0.73 -0.06 1.44 3.38 -1.14 -0.57 115.31 119.52 1bxc h LEU 312 Ca 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1bxc h LEU 312 Cb 0.35 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1bxc h LEU 312 CO 0.01 0.95 0.04 0.50 0.09 0.00 0.00 178.44 180.02 1bxc h LYS 313 N 0.62 0.08 -0.79 1.13 3.64 -1.13 0.41 116.57 120.53 1bxc h LYS 313 Ca 0.08 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1bxc h LYS 313 Cb 0.75 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1bxc h LYS 313 CO 0.06 0.09 0.40 1.49 -2.27 0.00 0.00 179.45 179.22 1bxc h GLU 314 N 0.05 1.13 -0.28 1.90 4.81 -1.31 -2.08 114.58 118.80 1bxc h GLU 314 Ca 0.02 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1bxc h GLU 314 Cb 0.03 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1bxc h GLU 314 CO -0.00 0.86 -0.02 -0.09 -0.73 0.00 0.00 179.01 179.02 1bxc h ARG 315 N 1.12 0.51 -0.59 1.92 9.65 -0.30 -1.82 114.38 124.87 1bxc h ARG 315 Ca 0.28 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1bxc h ARG 315 Cb 0.09 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1bxc h ARG 315 CO -0.04 0.69 0.34 0.00 2.80 0.00 0.00 179.97 183.76 1bxc h ALA 316 N 0.81 1.48 -0.34 2.80 0.00 -0.11 -0.73 119.26 123.17 1bxc h ALA 316 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1bxc h ALA 316 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bxc h ALA 316 CO 0.02 0.44 0.22 0.93 0.00 0.00 0.00 179.25 180.86 1bxc h GLU 317 N 0.82 0.44 -0.33 0.00 5.08 -1.07 -2.08 114.58 117.43 1bxc h GLU 317 Ca 0.21 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1bxc h GLU 317 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1bxc h GLU 317 CO -0.04 0.29 -0.40 0.00 -1.00 0.00 0.00 179.01 177.86 1bxc h ALA 318 N 1.13 0.66 -0.73 3.43 0.00 -0.88 -2.84 119.26 120.03 1bxc h ALA 318 Ca 0.13 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1bxc h ALA 318 Cb -0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1bxc h ALA 318 CO -0.03 0.67 0.40 0.35 0.00 0.00 0.00 179.25 180.63 1bxc h PHE 319 N 0.66 0.72 0.00 0.00 3.57 -0.92 -2.26 116.94 118.71 1bxc h PHE 319 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1bxc h PHE 319 Cb 0.97 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1bxc h PHE 319 CO 0.05 0.31 0.00 0.00 -2.23 0.00 0.00 178.31 176.44 1bxc h ARG 320 N 0.69 0.00 -0.00 1.11 2.47 -1.14 -2.72 114.38 114.80 1bxc h ARG 320 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 1bxc h ARG 320 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1bxc h ARG 320 CO -0.23 0.00 -0.58 0.39 0.56 0.00 0.00 179.97 180.11 1bxc n GLU 321 N -2.54 0.37 -1.95 0.04 -0.58 -0.86 -4.69 120.64 110.42 1bxc n GLU 321 Ca 0.02 -0.26 -0.42 0.00 -0.42 0.00 0.00 57.16 56.08 1bxc n GLU 321 Cb 0.29 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1bxc n GLU 321 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1bxc s ASP 322 N -2.81 6.60 0.22 1.62 -1.08 -1.03 -4.91 116.67 115.28 1bxc s ASP 322 Ca 0.14 2.60 -0.09 0.00 -0.52 0.00 0.00 52.55 54.69 1bxc s ASP 322 Cb 0.18 -2.60 0.18 0.00 -1.46 0.00 0.00 42.92 39.22 1bxc s ASP 322 CO 0.69 -0.81 1.87 -0.65 0.52 0.00 0.00 175.17 176.79 1bxc h PRO 323 N 6.67 1.11 -0.38 4.34 0.11 -1.91 -0.80 132.00 141.14 1bxc h PRO 323 Ca -0.43 -0.10 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 1bxc h PRO 323 Cb 1.21 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1bxc h PRO 323 CO 0.90 0.78 -0.25 1.49 -0.21 0.00 0.00 178.00 180.71 1bxc h GLU 324 N 1.13 0.79 -0.28 1.05 4.81 -1.97 -0.56 114.58 119.55 1bxc h GLU 324 Ca 0.30 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1bxc h GLU 324 Cb -0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1bxc h GLU 324 CO -0.06 0.96 0.05 0.28 -0.73 0.00 0.00 179.01 179.51 1bxc h VAL 325 N 0.68 1.23 -0.81 0.32 2.07 -1.73 -0.77 116.25 117.24 1bxc h VAL 325 Ca 0.09 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1bxc h VAL 325 Cb 0.78 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1bxc h VAL 325 CO 0.06 0.25 0.53 0.11 0.02 0.00 0.00 177.57 178.54 1bxc h LYS 326 N 0.27 1.02 -0.31 1.57 1.57 -1.06 -0.55 116.57 119.08 1bxc h LYS 326 Ca 0.08 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1bxc h LYS 326 Cb 0.32 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1bxc h LYS 326 CO 0.00 0.67 -0.11 0.93 -0.57 0.00 0.00 179.45 180.37 1bxc h GLU 327 N 1.05 0.53 -0.09 3.15 3.07 -0.88 -1.88 114.58 119.53 1bxc h GLU 327 Ca 0.31 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 1bxc h GLU 327 Cb -0.05 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1bxc h GLU 327 CO -0.09 0.64 -0.32 -0.07 -1.40 0.00 0.00 179.01 177.76 1bxc h LEU 328 N 0.49 0.44 -1.30 1.33 3.38 -0.29 -2.80 115.31 116.56 1bxc h LEU 328 Ca 0.09 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1bxc h LEU 328 Cb 0.49 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1bxc h LEU 328 CO 0.03 0.99 0.04 -0.07 0.09 0.00 0.00 178.44 179.51 1bxc h LEU 329 N -0.09 0.47 -0.58 1.67 3.38 -1.13 -2.78 115.31 116.26 1bxc h LEU 329 Ca -0.02 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1bxc h LEU 329 Cb 0.96 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1bxc h LEU 329 CO 0.07 0.51 0.07 0.00 0.09 0.00 0.00 178.44 179.18 1bxc h ALA 330 N 1.55 0.77 0.00 1.53 0.00 -1.33 -1.74 119.26 120.05 1bxc h ALA 330 Ca 0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1bxc h ALA 330 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bxc h ALA 330 CO 0.00 0.54 -0.49 0.00 0.00 0.00 0.00 179.25 179.30 1bxc h ALA 331 N 1.00 1.03 0.00 0.00 0.00 -1.22 -2.19 119.26 117.87 1bxc h ALA 331 Ca 0.17 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1bxc h ALA 331 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bxc h ALA 331 CO 0.02 0.62 -2.06 2.48 0.00 0.00 0.00 179.25 180.31 1bxc n TYR 332 N -3.73 0.06 1.88 0.00 0.18 -1.11 -3.57 117.16 110.87 1bxc n TYR 332 Ca -0.01 0.02 0.16 0.00 1.88 0.00 0.00 57.90 59.95 1bxc n TYR 332 Cb 0.55 -0.67 0.88 0.00 -0.38 0.00 0.00 39.34 39.71 1bxc n TYR 332 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1bxc n TYR 333 N -2.43 0.00 -1.23 -3.48 4.01 -0.66 -4.92 117.16 108.45 1bxc n TYR 333 Ca -0.12 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.14 1bxc n TYR 333 Cb 0.74 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.67 1bxc n TYR 333 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bxc n GLN 334 N -0.91 0.00 -4.05 -0.72 7.27 -0.82 -4.97 117.38 113.18 1bxc n GLN 334 Ca 0.22 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.98 1bxc n GLN 334 Cb 0.15 -1.08 -0.16 0.00 2.41 0.00 0.00 30.24 31.56 1bxc n GLN 334 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1bxc s GLU 335 N 2.36 2.44 -0.12 3.69 2.02 -1.26 -5.09 118.70 122.73 1bxc s GLU 335 Ca 0.77 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 1bxc s GLU 335 Cb -1.08 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1bxc s GLU 335 CO 0.58 -0.33 1.19 0.34 0.02 0.00 0.00 175.26 177.06 1bxc s ASP 336 N 1.34 7.03 0.48 -0.19 -1.08 -1.26 -4.93 116.67 118.06 1bxc s ASP 336 Ca 0.01 1.69 0.31 0.00 -0.52 0.00 0.00 52.55 54.04 1bxc s ASP 336 Cb -0.15 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 39.98 1bxc s ASP 336 CO -0.10 -0.65 1.90 1.55 0.52 0.00 0.00 175.17 178.39 1bxc h PRO 337 N 7.73 0.00 0.00 4.34 0.13 -1.99 -0.17 132.00 142.04 1bxc h PRO 337 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1bxc h PRO 337 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1bxc h PRO 337 CO 0.93 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.50 1bxc h ALA 338 N 2.07 1.17 0.18 -0.56 0.00 -2.02 -2.96 119.26 117.14 1bxc h ALA 338 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 1bxc h ALA 338 Cb 0.52 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.31 1bxc h ALA 338 CO 0.00 0.24 -1.35 0.00 0.00 0.00 0.00 179.25 178.14 1bxc h ALA 339 N 1.81 -0.05 0.00 0.00 0.00 -1.44 -3.37 119.26 116.21 1bxc h ALA 339 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1bxc h ALA 339 Cb 0.54 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bxc h ALA 339 CO 0.03 0.74 -0.08 -0.07 0.00 0.00 0.00 179.25 179.87 1bxc h LEU 340 N 0.18 0.00 -1.24 0.00 3.38 -1.31 -1.99 115.31 114.33 1bxc h LEU 340 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1bxc h LEU 340 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1bxc h LEU 340 CO 0.25 0.08 0.00 -0.81 0.09 0.00 0.00 178.44 178.05 1bxc n PRO 341 N -3.69 1.85 0.00 1.13 -0.04 -1.22 -1.85 135.00 131.18 1bxc n PRO 341 Ca -0.02 -1.24 0.14 0.00 -0.04 0.00 0.00 63.50 62.34 1bxc n PRO 341 Cb 0.19 -1.47 0.51 0.00 -0.04 0.00 0.00 33.50 32.69 1bxc n PRO 341 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bxc n LEU 342 N 0.49 0.47 -5.00 1.53 4.77 -0.75 -4.98 117.00 113.54 1bxc n LEU 342 Ca 0.18 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 1bxc n LEU 342 Cb 0.41 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1bxc n LEU 342 CO 0.16 0.09 0.26 -0.04 -1.33 0.00 0.00 177.39 176.54 1bxc s MET 343 N -2.67 2.28 2.84 3.23 -1.94 -0.77 -4.94 119.30 117.34 1bxc s MET 343 Ca 0.22 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.44 1bxc s MET 343 Cb 0.19 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1bxc s MET 343 CO 0.53 -0.81 0.00 -0.25 -0.01 0.00 0.00 175.02 174.49 1bxc n ASP 344 N -2.11 -1.09 -4.76 3.03 8.00 -1.26 -4.95 116.55 113.40 1bxc n ASP 344 Ca 0.11 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 1bxc n ASP 344 Cb 0.62 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.77 1bxc n ASP 344 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1bxc s PRO 345 N 0.00 2.76 0.40 -0.24 0.02 -1.26 -4.90 135.00 131.79 1bxc s PRO 345 Ca 0.00 1.50 -0.26 0.00 0.02 0.00 0.00 61.00 62.26 1bxc s PRO 345 Cb 0.00 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1bxc s PRO 345 CO 0.00 -1.30 1.34 -0.47 -0.33 0.00 0.00 177.00 176.24 1bxc s TYR 346 N -2.17 2.76 -0.06 6.54 5.04 -1.26 -5.02 117.35 123.18 1bxc s TYR 346 Ca 0.69 1.36 -0.14 0.00 -2.44 0.00 0.00 57.07 56.55 1bxc s TYR 346 Cb -0.23 -3.75 0.03 0.00 0.35 0.00 0.00 41.96 38.36 1bxc s TYR 346 CO 0.40 -2.29 0.33 -1.54 -1.34 0.00 0.00 175.55 171.11 1bxc s SER 347 N -0.61 -0.26 0.31 4.32 1.04 -1.26 -5.03 113.70 112.20 1bxc s SER 347 Ca 0.56 0.33 0.07 0.00 0.48 0.00 0.00 55.95 57.39 1bxc s SER 347 Cb -0.40 0.47 0.78 0.00 0.10 0.00 0.00 66.02 66.97 1bxc s SER 347 CO 0.52 -0.33 1.76 -0.74 0.98 0.00 0.00 173.24 175.43 1bxc h HIS 348 N 4.51 1.04 0.00 5.02 2.76 -2.00 -0.77 115.15 125.70 1bxc h HIS 348 Ca -0.28 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.89 1bxc h HIS 348 Cb 1.18 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1bxc h HIS 348 CO 0.48 0.17 -0.55 1.05 -1.30 0.00 0.00 177.93 177.78 1bxc h GLU 349 N 0.70 0.00 -0.40 5.26 9.09 -1.98 -2.67 114.58 124.57 1bxc h GLU 349 Ca 0.60 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.88 1bxc h GLU 349 Cb 1.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.09 1bxc h GLU 349 CO -0.42 0.09 -0.27 -0.22 0.05 0.00 0.00 179.01 178.25 1bxc h LYS 350 N 0.00 0.86 -0.69 1.06 3.64 -1.56 0.42 116.57 120.29 1bxc h LYS 350 Ca -0.02 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1bxc h LYS 350 Cb 1.10 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1bxc h LYS 350 CO 0.01 1.02 0.13 0.00 -2.27 0.00 0.00 179.45 178.34 1bxc h ALA 351 N 0.96 0.92 -0.04 5.00 0.00 -1.24 -1.08 119.26 123.77 1bxc h ALA 351 Ca 0.09 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1bxc h ALA 351 Cb 0.82 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bxc h ALA 351 CO 0.07 0.67 -0.81 0.93 0.00 0.00 0.00 179.25 180.11 1bxc h GLU 352 N 1.06 0.38 -0.35 0.00 4.39 -1.31 -1.64 114.58 117.11 1bxc h GLU 352 Ca 0.21 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 1bxc h GLU 352 Cb 0.43 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1bxc h GLU 352 CO 0.01 1.01 0.07 0.00 -1.16 0.00 0.00 179.01 178.93 1bxc h ALA 353 N 0.88 0.47 -0.36 3.43 0.00 -0.80 -2.70 119.26 120.18 1bxc h ALA 353 Ca -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1bxc h ALA 353 Cb 1.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1bxc h ALA 353 CO 0.14 0.16 0.20 1.25 0.00 0.00 0.00 179.25 181.00 1bxc h LEU 354 N 0.42 0.32 -0.69 0.00 5.85 -1.06 0.15 115.31 120.29 1bxc h LEU 354 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1bxc h LEU 354 Cb 0.34 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1bxc h LEU 354 CO 0.00 0.23 0.00 0.11 -0.34 0.00 0.00 178.44 178.44 1bxc h LYS 355 N 0.41 0.00 0.00 1.25 1.57 -1.26 -2.41 116.57 116.13 1bxc h LYS 355 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1bxc h LYS 355 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1bxc h LYS 355 CO -0.08 0.00 -0.74 2.89 -0.57 0.00 0.00 179.45 180.95 1bxc n ARG 356 N -2.45 1.86 -1.88 3.15 1.85 -1.01 -4.99 116.66 113.18 1bxc n ARG 356 Ca 0.03 -0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 1bxc n ARG 356 Cb 0.29 -1.23 -0.01 0.00 -1.05 0.00 0.00 32.46 30.46 1bxc n ARG 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bxc s ALA 357 N -2.47 3.58 -0.53 2.89 0.00 0.49 -4.96 121.76 120.76 1bxc s ALA 357 Ca 0.06 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.32 1bxc s ALA 357 Cb 0.12 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.73 1bxc s ALA 357 CO 0.64 -0.93 0.64 -2.00 0.00 0.00 0.00 175.76 174.10 1bxc s GLU 358 N -1.69 3.09 0.18 0.00 2.12 -1.26 -5.02 118.70 116.11 1bxc s GLU 358 Ca 0.54 -1.07 -0.16 0.00 0.36 0.00 0.00 54.97 54.65 1bxc s GLU 358 Cb -0.45 -4.16 -0.07 0.00 0.26 0.00 0.00 34.13 29.71 1bxc s GLU 358 CO 0.57 -1.32 0.60 -0.51 -0.54 0.00 0.00 175.26 174.06 1bxc s LEU 359 N 2.60 4.32 -1.40 2.70 1.43 -1.26 -4.99 118.68 122.08 1bxc s LEU 359 Ca 0.13 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 1bxc s LEU 359 Cb -0.21 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.69 1bxc s LEU 359 CO 0.10 0.06 2.20 -0.81 0.23 0.00 0.00 176.35 178.13 1bxc n PRO 360 N 0.70 3.43 0.01 1.29 -0.04 -1.26 -4.82 135.00 134.31 1bxc n PRO 360 Ca -0.04 -2.99 -0.18 0.00 -0.04 0.00 0.00 63.50 60.24 1bxc n PRO 360 Cb 0.52 -3.02 -0.10 0.00 -0.04 0.00 0.00 33.50 30.85 1bxc n PRO 360 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxc h LEU 361 N 8.37 0.72 -1.10 1.53 4.07 -1.98 -2.74 115.31 124.17 1bxc h LEU 361 Ca 0.55 -0.73 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 1bxc h LEU 361 Cb 0.56 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1bxc h LEU 361 CO 1.74 1.36 -0.02 -0.08 -1.08 0.00 0.00 178.44 180.35 1bxc h GLU 362 N 0.15 0.60 -0.47 1.13 4.57 -1.99 0.11 114.58 118.69 1bxc h GLU 362 Ca -0.09 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 1bxc h GLU 362 Cb 1.46 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 1bxc h GLU 362 CO 0.15 0.64 0.09 0.00 -1.18 0.00 0.00 179.01 178.71 1bxc h ALA 363 N 1.41 1.28 0.00 2.92 0.00 -1.95 -1.63 119.26 121.29 1bxc h ALA 363 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bxc h ALA 363 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bxc h ALA 363 CO 0.02 0.50 -0.43 0.87 0.00 0.00 0.00 179.25 180.21 1bxc h LYS 364 N 0.69 0.00 -0.14 0.00 1.79 -1.04 -3.10 116.57 114.77 1bxc h LYS 364 Ca 0.15 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.46 1bxc h LYS 364 Cb 0.30 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1bxc h LYS 364 CO 0.00 0.00 -0.53 -0.09 -1.08 0.00 0.00 179.45 177.75 1bxc h ARG 365 N 0.00 0.61 0.00 3.15 9.65 0.03 -3.20 114.38 124.63 1bxc h ARG 365 Ca 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1bxc h ARG 365 Cb 0.96 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1bxc h ARG 365 CO 0.00 1.09 0.00 0.72 2.80 0.00 0.00 179.97 184.58 1bxc n HIS 366 N -4.17 0.38 -1.98 2.20 8.25 -0.69 -4.90 115.22 114.31 1bxc n HIS 366 Ca -0.07 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1bxc n HIS 366 Cb 0.61 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 1bxc n HIS 366 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1bxc s ARG 367 N -3.06 4.23 0.01 -0.41 3.00 -1.17 -5.01 118.95 116.54 1bxc s ARG 367 Ca 0.11 2.29 -0.01 0.00 -1.00 0.00 0.00 55.73 57.13 1bxc s ARG 367 Cb 0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 34.95 31.73 1bxc s ARG 367 CO 0.51 -0.62 0.13 0.20 0.00 0.00 0.00 175.30 175.52 1bxc s GLY 368 N 1.56 2.09 0.00 8.12 0.00 -1.26 -5.02 107.32 112.81 1bxc s GLY 368 Ca 0.70 -0.85 0.16 0.00 0.00 0.00 0.00 44.72 44.73 1bxc s GLY 368 CO 0.31 -0.76 1.06 -1.72 0.00 0.00 0.00 173.10 171.99 1bxc n TYR 369 N 0.90 0.08 -3.42 1.90 4.02 -1.26 -4.99 117.16 114.39 1bxc n TYR 369 Ca -0.11 -0.06 -0.25 0.00 -0.01 0.00 0.00 57.90 57.48 1bxc n TYR 369 Cb 0.52 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.88 1bxc n TYR 369 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bxc n ALA 370 N 0.92 -1.15 0.65 -0.72 0.00 -1.26 -4.87 120.51 114.09 1bxc n ALA 370 Ca 0.10 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1bxc n ALA 370 Cb 0.42 -4.37 0.31 0.00 0.00 0.00 0.00 19.45 15.81 1bxc n ALA 370 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bxc n LEU 371 N -4.42 0.70 -0.03 0.00 4.77 -1.26 -2.39 117.00 114.36 1bxc n LEU 371 Ca -0.03 0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1bxc n LEU 371 Cb 0.57 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1bxc n LEU 371 CO 0.59 -0.10 0.43 -0.08 -1.33 0.00 0.00 177.39 176.90 1bxc h GLU 372 N 0.00 0.37 -0.40 3.23 4.57 -1.98 0.91 114.58 121.28 1bxc h GLU 372 Ca 0.00 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1bxc h GLU 372 Cb 0.71 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1bxc h GLU 372 CO 0.00 0.93 0.19 -0.09 -1.18 0.00 0.00 179.01 178.86 1bxc h ARG 373 N -0.11 0.57 -0.52 1.92 2.43 -1.96 0.59 114.38 117.29 1bxc h ARG 373 Ca -0.02 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1bxc h ARG 373 Cb 0.99 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1bxc h ARG 373 CO 0.07 0.50 0.30 1.25 -1.51 0.00 0.00 179.97 180.59 1bxc h LEU 374 N 0.50 0.64 -0.69 3.80 5.85 -1.47 -1.01 115.31 122.94 1bxc h LEU 374 Ca 0.14 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1bxc h LEU 374 Cb 0.12 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1bxc h LEU 374 CO -0.02 0.53 0.14 -0.78 -0.34 0.00 0.00 178.44 177.97 1bxc h ASP 375 N 0.70 1.07 -0.66 1.25 3.58 -0.50 -1.90 116.42 119.97 1bxc h ASP 375 Ca 0.19 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1bxc h ASP 375 Cb 0.02 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 1bxc h ASP 375 CO -0.03 1.04 0.22 -0.61 -2.88 0.00 0.00 179.24 176.98 1bxc h GLN 376 N 1.05 1.04 -0.60 0.28 5.75 -0.74 -1.74 115.11 120.15 1bxc h GLN 376 Ca 0.21 -0.21 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1bxc h GLN 376 Cb 0.41 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1bxc h GLN 376 CO 0.01 0.88 0.36 -0.07 -2.65 0.00 0.00 178.83 177.36 1bxc h LEU 377 N 1.00 0.58 -0.79 -2.39 3.38 -0.90 -0.36 115.31 115.82 1bxc h LEU 377 Ca 0.22 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1bxc h LEU 377 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1bxc h LEU 377 CO -0.01 0.40 -0.16 0.00 0.09 0.00 0.00 178.44 178.76 1bxc h ALA 378 N 1.27 0.98 -0.50 1.53 0.00 -1.07 -1.37 119.26 120.10 1bxc h ALA 378 Ca 0.24 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1bxc h ALA 378 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1bxc h ALA 378 CO -0.11 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 179.92 1bxc h VAL 379 N 0.66 1.27 0.00 0.00 2.07 -0.89 -0.13 116.25 119.22 1bxc h VAL 379 Ca 0.10 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1bxc h VAL 379 Cb 0.64 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1bxc h VAL 379 CO 0.04 0.43 -0.29 -0.33 0.02 0.00 0.00 177.57 177.44 1bxc h GLU 380 N 0.81 0.00 -0.10 1.57 5.08 -0.85 0.94 114.58 122.03 1bxc h GLU 380 Ca 0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1bxc h GLU 380 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1bxc h GLU 380 CO 0.05 0.29 -0.29 1.88 -1.00 0.00 0.00 179.01 179.94 1bxc h TYR 381 N 0.00 0.49 -0.72 4.33 0.05 -0.99 -0.38 116.97 119.76 1bxc h TYR 381 Ca -0.00 -0.19 0.11 0.00 0.05 0.00 0.00 58.73 58.69 1bxc h TYR 381 Cb 0.57 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 38.14 1bxc h TYR 381 CO 0.00 0.91 0.33 -0.07 -1.05 0.00 0.00 178.16 178.27 1bxc h LEU 382 N -0.07 0.38 0.00 3.88 3.38 -0.32 -0.42 115.31 122.14 1bxc h LEU 382 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bxc h LEU 382 Cb 0.91 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1bxc h LEU 382 CO 0.06 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.97 1bxc n LEU 383 N -4.92 0.00 -0.12 1.67 4.77 0.26 -4.88 117.00 113.78 1bxc n LEU 383 Ca 0.12 0.45 -0.02 0.00 -0.03 0.00 0.00 56.01 56.53 1bxc n LEU 383 Cb 0.32 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1bxc n LEU 383 CO 0.22 -0.15 -0.02 0.61 -1.33 0.00 0.00 177.39 176.72 1bxc n GLY 384 N 0.45 0.52 0.00 -0.72 0.00 -0.17 -4.87 105.19 100.41 1bxc n GLY 384 Ca 0.06 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1bxc n GLY 384 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bxc n VAL 385 N -2.85 0.20 0.00 1.61 0.31 -0.20 -4.09 118.33 113.31 1bxc n VAL 385 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1bxc n VAL 385 Cb 0.10 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1bxc n VAL 385 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1bxc n ARG 386 N -1.48 1.93 0.00 5.55 1.74 -1.17 -4.99 116.66 118.25 1bxc n ARG 386 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1bxc n ARG 386 Cb 0.29 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 1bxc n ARG 386 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52