#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0f h ALA 2 N 0.00 0.38 -0.60 0.00 0.00 -1.96 -2.69 119.26 114.39 1u0f h ALA 2 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1u0f h ALA 2 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1u0f h ALA 2 CO 0.00 -0.41 0.38 1.25 0.00 0.00 0.00 179.25 180.48 1u0f h LEU 3 N 0.08 0.65 -1.11 0.00 5.85 -1.86 -2.29 115.31 116.63 1u0f h LEU 3 Ca 0.22 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1u0f h LEU 3 Cb 0.32 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1u0f h LEU 3 CO -0.39 0.46 -0.21 0.71 -0.34 0.00 0.00 178.44 178.68 1u0f h THR 4 N 0.77 0.50 -0.00 1.05 1.35 -1.89 -2.54 112.91 112.15 1u0f h THR 4 Ca 0.23 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1u0f h THR 4 Cb -0.04 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1u0f h THR 4 CO -0.07 0.20 -0.35 0.54 -0.25 0.00 0.00 175.52 175.58 1u0f n ARG 5 N -3.36 0.50 -2.53 4.72 1.74 -1.00 -4.75 116.66 111.97 1u0f n ARG 5 Ca 0.00 -0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.37 1u0f n ARG 5 Cb 0.42 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1u0f n ARG 5 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1u0f s ASN 6 N -2.70 7.13 0.39 0.55 3.84 -0.89 -4.95 114.94 118.30 1u0f s ASN 6 Ca 0.19 1.76 0.11 0.00 0.21 0.00 0.00 52.86 55.13 1u0f s ASN 6 Cb 0.19 -2.56 0.81 0.00 -0.55 0.00 0.00 41.25 39.13 1u0f s ASN 6 CO 0.59 -0.51 1.91 -0.65 -2.79 0.00 0.00 177.10 175.66 1u0f h PRO 7 N 7.23 0.17 -0.37 0.43 0.11 -1.89 -1.93 132.00 135.75 1u0f h PRO 7 Ca -0.35 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1u0f h PRO 7 Cb 1.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1u0f h PRO 7 CO 0.85 0.35 -0.12 1.96 -0.21 0.00 0.00 178.00 180.83 1u0f h GLN 8 N 0.16 0.65 -0.16 1.05 7.50 -1.94 -1.49 115.11 120.88 1u0f h GLN 8 Ca 0.03 -0.20 -0.08 0.00 0.50 0.00 0.00 58.65 58.90 1u0f h GLN 8 Cb 0.40 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 27.87 1u0f h GLN 8 CO 0.03 0.75 -0.20 0.35 -1.50 0.00 0.00 178.83 178.25 1u0f h PHE 9 N 0.59 0.51 -0.70 2.96 3.57 -1.71 -2.28 116.94 119.88 1u0f h PHE 9 Ca 0.10 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1u0f h PHE 9 Cb 0.55 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1u0f h PHE 9 CO 0.02 0.82 0.46 1.96 -2.23 0.00 0.00 178.31 179.35 1u0f h GLN 10 N 0.05 0.93 -0.37 1.11 4.20 -1.29 0.02 115.11 119.76 1u0f h GLN 10 Ca 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1u0f h GLN 10 Cb 0.76 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1u0f h GLN 10 CO 0.05 0.62 0.15 -0.22 -0.67 0.00 0.00 178.83 178.76 1u0f h LYS 11 N 0.95 0.55 -0.17 1.46 1.63 -1.22 -1.17 116.57 118.60 1u0f h LYS 11 Ca 0.26 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1u0f h LYS 11 Cb -0.10 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 1u0f h LYS 11 CO -0.05 0.53 0.11 1.25 -3.45 0.00 0.00 179.45 177.83 1u0f h LEU 12 N 0.45 0.19 -0.45 5.20 5.85 -0.79 -0.66 115.31 125.09 1u0f h LEU 12 Ca 0.12 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1u0f h LEU 12 Cb 0.18 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1u0f h LEU 12 CO -0.01 0.14 0.24 0.25 -0.34 0.00 0.00 178.44 178.71 1u0f h LEU 13 N 0.22 0.36 -0.92 2.25 5.85 -0.96 0.20 115.31 122.31 1u0f h LEU 13 Ca 0.06 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1u0f h LEU 13 Cb -0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1u0f h LEU 13 CO -0.02 0.25 0.22 -0.08 -0.34 0.00 0.00 178.44 178.47 1u0f h GLU 14 N 0.47 1.01 -0.29 1.25 4.81 -0.99 -0.47 114.58 120.38 1u0f h GLU 14 Ca 0.19 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1u0f h GLU 14 Cb 0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1u0f h GLU 14 CO -0.12 0.86 0.07 2.35 -0.73 0.00 0.00 179.01 181.44 1u0f h TRP 15 N 0.98 0.48 -0.34 0.92 7.01 -0.71 -2.21 115.95 122.07 1u0f h TRP 15 Ca 0.22 -0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.22 1u0f h TRP 15 Cb 0.26 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 1u0f h TRP 15 CO 0.02 0.52 0.02 1.25 -2.79 0.00 0.00 178.44 177.46 1u0f h HIS 16 N 0.30 0.01 -0.91 2.65 2.76 -0.62 0.11 115.15 119.45 1u0f h HIS 16 Ca 0.09 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 1u0f h HIS 16 Cb 0.28 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 1u0f h HIS 16 CO 0.01 -0.04 0.60 0.00 -1.30 0.00 0.00 177.93 177.19 1u0f h ARG 17 N 0.12 1.06 0.01 5.26 -0.00 -0.94 -1.09 114.38 118.80 1u0f h ARG 17 Ca 0.17 -0.06 -0.27 0.00 -0.50 0.00 0.00 59.98 59.32 1u0f h ARG 17 Cb 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 29.97 29.91 1u0f h ARG 17 CO -0.26 0.70 -1.45 0.00 0.00 0.00 0.00 179.97 178.95 1u0f h ALA 18 N 1.49 0.57 0.00 0.04 0.00 -0.91 -3.43 119.26 117.02 1u0f h ALA 18 Ca 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1u0f h ALA 18 Cb 0.11 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u0f h ALA 18 CO -0.13 1.42 -0.88 0.09 0.00 0.00 0.00 179.25 179.75 1u0f n ASN 19 N -3.20 4.39 -0.19 0.00 4.13 0.35 -4.81 115.26 115.92 1u0f n ASN 19 Ca -0.11 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1u0f n ASN 19 Cb 1.01 0.90 0.25 0.00 -1.54 0.00 0.00 39.78 40.40 1u0f n ASN 19 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1u0f h SER 20 N 0.00 0.82 -0.02 6.41 4.64 -1.32 -1.72 113.55 122.36 1u0f h SER 20 Ca 0.00 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1u0f h SER 20 Cb 0.00 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1u0f h SER 20 CO 0.00 0.62 0.05 0.00 -0.87 0.00 0.00 176.83 176.63 1u0f h ALA 21 N 1.52 1.33 -0.29 5.18 0.00 -1.88 -1.71 119.26 123.43 1u0f h ALA 21 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1u0f h ALA 21 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1u0f h ALA 21 CO -0.05 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.23 1u0f n ASN 22 N -3.46 3.00 -4.62 0.00 5.03 -0.65 -4.86 115.26 109.71 1u0f n ASN 22 Ca -0.02 -1.93 -0.42 0.00 0.87 0.00 0.00 54.58 53.07 1u0f n ASN 22 Cb 0.13 -0.18 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 1u0f n ASN 22 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1u0f s LEU 23 N -1.59 4.04 -0.13 3.41 1.43 -0.65 -5.01 118.68 120.18 1u0f s LEU 23 Ca 0.36 0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1u0f s LEU 23 Cb 0.21 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.23 1u0f s LEU 23 CO 0.30 -0.71 -0.09 -0.54 0.23 0.00 0.00 176.35 175.54 1u0f s LYS 24 N 3.20 1.75 0.20 1.70 -0.14 -1.26 -5.05 119.74 120.14 1u0f s LYS 24 Ca 0.37 -0.38 -0.11 0.00 -1.36 0.00 0.00 55.97 54.49 1u0f s LYS 24 Cb -0.13 -1.80 0.22 0.00 -1.68 0.00 0.00 37.83 34.43 1u0f s LYS 24 CO 0.14 -0.28 1.77 -0.07 -0.76 0.00 0.00 175.35 176.15 1u0f h LEU 25 N 8.13 0.35 -0.65 3.17 3.38 -1.91 -0.45 115.31 127.33 1u0f h LEU 25 Ca -0.32 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.82 1u0f h LEU 25 Cb 1.13 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 1u0f h LEU 25 CO 0.44 0.22 0.18 -0.09 0.09 0.00 0.00 178.44 179.29 1u0f h ARG 26 N 0.50 0.31 -0.15 1.13 2.43 -1.95 -1.77 114.38 114.87 1u0f h ARG 26 Ca 0.27 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1u0f h ARG 26 Cb 0.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1u0f h ARG 26 CO -0.22 0.20 -0.56 0.93 -1.51 0.00 0.00 179.97 178.81 1u0f h GLU 27 N 0.32 0.46 -0.65 0.20 5.08 -1.71 -1.89 114.58 116.38 1u0f h GLU 27 Ca 0.35 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1u0f h GLU 27 Cb 0.52 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1u0f h GLU 27 CO -0.40 0.89 0.21 -0.07 -1.00 0.00 0.00 179.01 178.64 1u0f h LEU 28 N 0.35 0.91 -0.12 1.33 3.38 -0.50 -1.24 115.31 119.42 1u0f h LEU 28 Ca 0.00 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.58 1u0f h LEU 28 Cb 1.09 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1u0f h LEU 28 CO 0.10 0.85 -0.98 -0.26 0.09 0.00 0.00 178.44 178.25 1u0f h PHE 29 N 0.95 0.71 -0.68 1.13 -1.00 -1.25 -3.07 116.94 113.73 1u0f h PHE 29 Ca 0.21 -0.39 -0.07 0.00 2.81 0.00 0.00 57.97 60.53 1u0f h PHE 29 Cb 0.27 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1u0f h PHE 29 CO 0.02 1.21 0.15 1.49 -1.61 0.00 0.00 178.31 179.57 1u0f h GLU 30 N 0.26 1.09 0.00 1.51 4.57 -1.13 -3.12 114.58 117.76 1u0f h GLU 30 Ca -0.09 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.77 1u0f h GLU 30 Cb 1.62 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 1u0f h GLU 30 CO 0.17 0.97 -0.23 0.00 -1.18 0.00 0.00 179.01 178.74 1u0f h ALA 31 N 1.12 0.89 -2.87 2.92 0.00 -1.29 -3.42 119.26 116.61 1u0f h ALA 31 Ca 0.21 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1u0f h ALA 31 Cb 0.39 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.74 1u0f h ALA 31 CO 0.01 0.29 -0.79 0.34 0.00 0.00 0.00 179.25 179.10 1u0f s ASP 32 N -6.25 3.52 0.64 0.00 2.15 -1.16 -4.99 116.67 110.59 1u0f s ASP 32 Ca 0.04 -1.92 0.40 0.00 0.43 0.00 0.00 52.55 51.50 1u0f s ASP 32 Cb 0.08 -0.64 2.25 0.00 -0.30 0.00 0.00 42.92 44.30 1u0f s ASP 32 CO 0.68 -0.36 2.33 -0.65 -0.17 0.00 0.00 175.17 177.00 1u0f h PRO 33 N 7.57 0.00 -0.46 4.34 0.11 -1.83 -2.10 132.00 139.64 1u0f h PRO 33 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1u0f h PRO 33 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1u0f h PRO 33 CO 0.40 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 1u0f n GLU 34 N -3.29 2.06 0.06 1.05 -0.58 -1.26 -4.58 120.64 114.10 1u0f n GLU 34 Ca -0.03 -1.34 -0.12 0.00 -0.42 0.00 0.00 57.16 55.25 1u0f n GLU 34 Cb 0.08 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 1u0f n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1u0f h ARG 35 N 2.06 -0.05 -0.55 3.49 2.43 -1.74 -1.03 114.38 118.99 1u0f h ARG 35 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1u0f h ARG 35 Cb 0.64 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 1u0f h ARG 35 CO 0.05 -0.03 0.28 0.35 -1.51 0.00 0.00 179.97 179.10 1u0f h PHE 36 N -0.05 0.50 -0.93 2.20 3.57 -1.85 -0.97 116.94 119.41 1u0f h PHE 36 Ca -0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1u0f h PHE 36 Cb 0.05 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 1u0f h PHE 36 CO -0.08 0.23 0.60 -0.91 -2.23 0.00 0.00 178.31 175.92 1u0f h ASN 37 N 0.53 1.00 0.56 0.41 2.35 -1.72 -2.91 115.58 115.80 1u0f h ASN 37 Ca 0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1u0f h ASN 37 Cb 0.17 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1u0f h ASN 37 CO -0.18 0.68 -0.62 0.59 -1.65 0.00 0.00 177.43 176.25 1u0f n ASN 38 N -4.50 0.58 -2.23 5.81 3.02 -0.45 -4.13 115.26 113.36 1u0f n ASN 38 Ca 0.12 -0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.30 1u0f n ASN 38 Cb 0.10 0.33 0.02 0.00 -0.61 0.00 0.00 39.78 39.62 1u0f n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1u0f n PHE 39 N -1.71 2.53 -3.70 3.10 3.01 -0.40 -5.03 117.46 115.25 1u0f n PHE 39 Ca 0.04 -2.32 -0.11 0.00 1.01 0.00 0.00 57.45 56.07 1u0f n PHE 39 Cb 0.37 -0.29 -0.06 0.00 -0.01 0.00 0.00 39.48 39.49 1u0f n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1u0f s SER 40 N -3.62 -0.17 -0.13 4.37 1.04 -1.16 -1.74 113.70 112.30 1u0f s SER 40 Ca 0.46 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1u0f s SER 40 Cb 0.39 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.95 1u0f s SER 40 CO 0.00 -0.71 -0.12 -0.76 0.98 0.00 0.00 173.24 172.63 1u0f s LEU 41 N -2.35 1.48 -0.50 2.42 1.43 -0.34 -4.98 118.68 115.85 1u0f s LEU 41 Ca -0.02 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1u0f s LEU 41 Cb 0.01 -1.02 0.12 0.00 0.03 0.00 0.00 46.19 45.33 1u0f s LEU 41 CO -0.06 -0.07 0.41 0.21 0.23 0.00 0.00 176.35 177.06 1u0f s ASN 42 N 1.48 5.92 -0.27 2.29 3.04 -1.26 -0.33 114.94 125.81 1u0f s ASN 42 Ca 0.03 -1.82 -0.18 0.00 0.04 0.00 0.00 52.86 50.93 1u0f s ASN 42 Cb -0.13 -2.10 -0.03 0.00 -1.54 0.00 0.00 41.25 37.45 1u0f s ASN 42 CO -0.08 -0.75 0.50 -0.76 -3.04 0.00 0.00 177.10 172.97 1u0f s LEU 43 N 1.47 4.07 -0.44 3.21 1.43 0.05 -4.95 118.68 123.53 1u0f s LEU 43 Ca 0.04 0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 1u0f s LEU 43 Cb -0.28 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.34 1u0f s LEU 43 CO 0.01 -0.29 0.47 0.21 0.23 0.00 0.00 176.35 176.98 1u0f s ASN 44 N 1.57 6.20 0.00 2.29 3.04 -1.26 -0.56 114.94 126.22 1u0f s ASN 44 Ca 0.20 -0.75 0.27 0.00 0.04 0.00 0.00 52.86 52.63 1u0f s ASN 44 Cb -0.16 -2.23 0.95 0.00 -1.54 0.00 0.00 41.25 38.27 1u0f s ASN 44 CO 0.09 -0.64 1.69 0.35 -3.04 0.00 0.00 177.10 175.56 1u0f n THR 45 N 5.46 0.00 -0.36 -5.21 -2.24 -0.73 -4.92 114.28 106.29 1u0f n THR 45 Ca -0.07 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1u0f n THR 45 Cb 0.47 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1u0f n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1u0f n ASN 46 N -0.86 0.00 -1.83 3.42 5.15 -1.26 -4.79 115.26 115.09 1u0f n ASN 46 Ca 0.12 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.02 1u0f n ASN 46 Cb 0.32 -0.63 0.07 0.00 -0.53 0.00 0.00 39.78 39.00 1u0f n ASN 46 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1u0f n HIS 47 N -2.00 1.48 0.00 1.20 8.25 -1.26 -5.08 115.22 117.80 1u0f n HIS 47 Ca 0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 57.72 55.62 1u0f n HIS 47 Cb 0.00 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1u0f n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u0f n GLY 48 N -0.63 2.92 3.77 -1.41 0.00 -1.26 -4.80 105.19 103.78 1u0f n GLY 48 Ca 0.26 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1u0f n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0f s HIS 49 N -2.83 3.23 -0.21 1.61 3.76 -1.26 -1.77 115.29 117.83 1u0f s HIS 49 Ca 0.00 0.15 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 1u0f s HIS 49 Cb 0.00 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 32.05 1u0f s HIS 49 CO 0.00 0.53 -0.11 0.42 -0.85 0.00 0.00 174.74 174.73 1u0f s ILE 50 N -1.25 1.79 -0.31 0.60 1.01 0.28 -1.97 121.20 121.34 1u0f s ILE 50 Ca 0.25 -1.12 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1u0f s ILE 50 Cb -0.12 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1u0f s ILE 50 CO 0.17 0.17 0.33 -0.22 0.00 0.00 0.00 174.94 175.39 1u0f s LEU 51 N 1.33 4.28 -0.59 2.97 2.96 0.94 -0.77 118.68 129.80 1u0f s LEU 51 Ca -0.02 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1u0f s LEU 51 Cb -0.17 -2.32 0.15 0.00 0.50 0.00 0.00 46.19 44.35 1u0f s LEU 51 CO -0.08 -0.25 0.50 -0.69 -1.32 0.00 0.00 176.35 174.51 1u0f s VAL 52 N 1.98 4.82 -0.52 1.68 1.01 0.55 -1.61 120.40 128.32 1u0f s VAL 52 Ca 0.12 -1.94 -0.18 0.00 0.00 0.00 0.00 61.98 59.98 1u0f s VAL 52 Cb -0.16 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.20 1u0f s VAL 52 CO 0.11 -0.87 0.55 -0.62 0.00 0.00 0.00 175.10 174.27 1u0f s ASP 53 N 2.71 6.19 -0.21 3.32 2.15 -0.26 -1.19 116.67 129.38 1u0f s ASP 53 Ca 0.08 -1.26 0.15 0.00 0.43 0.00 0.00 52.55 51.96 1u0f s ASP 53 Cb -0.23 -2.25 0.70 0.00 -0.30 0.00 0.00 42.92 40.84 1u0f s ASP 53 CO -0.01 -0.86 1.62 0.00 -0.17 0.00 0.00 175.17 175.75 1u0f n TYR 54 N 5.79 1.62 0.20 -5.34 0.18 -0.71 -1.75 117.16 117.14 1u0f n TYR 54 Ca -0.10 -0.79 0.08 0.00 1.88 0.00 0.00 57.90 58.97 1u0f n TYR 54 Cb 0.44 -0.43 0.35 0.00 -0.38 0.00 0.00 39.34 39.32 1u0f n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1u0f h SER 55 N 3.11 0.00 -0.31 9.48 4.64 -1.68 -3.04 113.55 125.76 1u0f h SER 55 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1u0f h SER 55 Cb 1.76 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.76 1u0f h SER 55 CO 0.38 0.29 0.24 0.29 -0.87 0.00 0.00 176.83 177.16 1u0f n LYS 56 N -3.39 1.45 -4.15 4.77 5.02 -1.26 -4.87 118.16 115.73 1u0f n LYS 56 Ca 0.00 -0.97 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 1u0f n LYS 56 Cb 0.50 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1u0f n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1u0f s ASN 57 N 0.52 5.21 -1.55 4.39 0.01 -1.15 -1.98 114.94 120.40 1u0f s ASN 57 Ca 0.19 -0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 51.92 1u0f s ASN 57 Cb 0.15 -1.25 -0.03 0.00 0.41 0.00 0.00 41.25 40.54 1u0f s ASN 57 CO 0.02 0.03 2.64 0.18 -1.51 0.00 0.00 177.10 178.45 1u0f n LEU 58 N -0.67 7.97 -4.06 0.60 4.77 -1.26 -4.85 117.00 119.51 1u0f n LEU 58 Ca -0.08 -4.30 -0.08 0.00 -0.03 0.00 0.00 56.01 51.52 1u0f n LEU 58 Cb 0.57 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 1u0f n LEU 58 CO 0.42 1.68 -0.36 0.68 -1.33 0.00 0.00 177.39 178.48 1u0f s VAL 59 N 2.43 0.22 0.00 4.08 -7.23 -1.26 -5.08 120.40 113.56 1u0f s VAL 59 Ca 0.60 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1u0f s VAL 59 Cb 0.16 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 36.02 1u0f s VAL 59 CO -0.07 -0.81 0.00 -0.46 -0.31 0.00 0.00 175.10 173.45 1u0f n ASN 60 N 0.64 0.80 -0.08 4.85 0.23 -1.26 -5.01 115.26 115.43 1u0f n ASN 60 Ca -0.17 -0.98 -0.07 0.00 -0.53 0.00 0.00 54.58 52.82 1u0f n ASN 60 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1u0f n ASN 60 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1u0f h LYS 61 N 0.00 0.20 -0.57 -3.83 3.64 -2.00 -2.32 116.57 111.68 1u0f h LYS 61 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1u0f h LYS 61 Cb 0.00 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1u0f h LYS 61 CO 0.00 0.13 0.37 1.49 -2.27 0.00 0.00 179.45 179.17 1u0f h GLU 62 N 0.20 0.76 -0.37 1.90 4.81 -1.99 -2.17 114.58 117.71 1u0f h GLU 62 Ca 0.13 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u0f h GLU 62 Cb 0.11 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1u0f h GLU 62 CO -0.15 0.52 0.22 0.28 -0.73 0.00 0.00 179.01 179.15 1u0f h VAL 63 N 0.77 1.13 -0.71 0.32 2.07 -1.89 -0.85 116.25 117.09 1u0f h VAL 63 Ca 0.21 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1u0f h VAL 63 Cb -0.06 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1u0f h VAL 63 CO -0.04 0.13 0.31 0.24 0.02 0.00 0.00 177.57 178.23 1u0f h MET 64 N 0.48 1.04 -0.29 1.57 2.86 -1.29 -0.11 114.93 119.19 1u0f h MET 64 Ca 0.13 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1u0f h MET 64 Cb 0.03 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1u0f h MET 64 CO -0.02 0.83 0.15 1.96 1.06 0.00 0.00 176.91 180.89 1u0f h GLN 65 N 1.02 0.41 -0.70 1.72 4.20 -1.12 0.11 115.11 120.76 1u0f h GLN 65 Ca 0.24 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1u0f h GLN 65 Cb 0.16 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1u0f h GLN 65 CO -0.03 0.37 0.31 0.52 -0.67 0.00 0.00 178.83 179.33 1u0f h MET 66 N 0.35 1.01 -0.14 1.46 2.86 -0.76 -1.40 114.93 118.31 1u0f h MET 66 Ca 0.10 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1u0f h MET 66 Cb 0.08 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1u0f h MET 66 CO -0.02 0.79 -0.03 -0.07 1.06 0.00 0.00 176.91 178.64 1u0f h LEU 67 N 0.99 0.27 -1.12 1.22 3.38 -0.65 -2.14 115.31 117.26 1u0f h LEU 67 Ca 0.24 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1u0f h LEU 67 Cb 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1u0f h LEU 67 CO -0.03 0.57 0.50 0.58 0.09 0.00 0.00 178.44 180.16 1u0f h VAL 68 N -0.04 1.22 -0.78 1.22 2.07 -0.88 -1.72 116.25 117.34 1u0f h VAL 68 Ca 0.03 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1u0f h VAL 68 Cb 0.46 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1u0f h VAL 68 CO 0.01 0.23 0.29 -0.33 0.02 0.00 0.00 177.57 177.80 1u0f h GLU 69 N 1.12 1.17 -0.55 1.57 4.39 -1.17 -1.66 114.58 119.45 1u0f h GLU 69 Ca 0.29 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1u0f h GLU 69 Cb -0.06 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 1u0f h GLU 69 CO -0.06 0.96 0.28 1.25 -1.16 0.00 0.00 179.01 180.28 1u0f h LEU 70 N 1.13 0.71 -0.58 1.33 5.85 -0.90 -1.02 115.31 121.82 1u0f h LEU 70 Ca 0.26 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1u0f h LEU 70 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1u0f h LEU 70 CO -0.02 0.62 0.37 0.00 -0.34 0.00 0.00 178.44 179.07 1u0f h ALA 71 N 1.11 0.75 -0.11 1.25 0.00 -0.96 -0.26 119.26 121.05 1u0f h ALA 71 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u0f h ALA 71 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1u0f h ALA 71 CO -0.03 0.12 0.07 0.87 0.00 0.00 0.00 179.25 180.28 1u0f h LYS 72 N 0.73 0.14 0.00 0.00 1.57 -0.95 -2.41 116.57 115.66 1u0f h LYS 72 Ca 0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1u0f h LYS 72 Cb -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1u0f h LYS 72 CO -0.08 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.79 1u0f n SER 73 N -5.00 0.00 -0.97 0.86 3.41 -0.42 -1.62 113.62 109.88 1u0f n SER 73 Ca -0.05 -0.41 0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1u0f n SER 73 Cb 0.04 -0.19 0.16 0.00 -0.26 0.00 0.00 64.21 63.96 1u0f n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u0f n ARG 74 N -1.19 2.32 -0.75 4.33 5.12 -0.13 -4.98 116.66 121.38 1u0f n ARG 74 Ca 0.17 -1.94 0.00 0.00 -1.93 0.00 0.00 57.85 54.15 1u0f n ARG 74 Cb 0.18 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1u0f n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u0f n GLY 75 N 1.37 0.58 0.32 -0.13 0.00 -0.64 -4.75 105.19 101.95 1u0f n GLY 75 Ca 0.16 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1u0f n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u0f h VAL 76 N 0.00 1.07 -0.36 1.61 2.07 -1.61 -1.21 116.25 117.82 1u0f h VAL 76 Ca 0.00 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1u0f h VAL 76 Cb 0.04 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1u0f h VAL 76 CO 0.00 0.18 0.10 -0.33 0.02 0.00 0.00 177.57 177.55 1u0f h GLU 77 N 0.99 0.56 -0.42 1.57 5.08 -1.86 -1.87 114.58 118.63 1u0f h GLU 77 Ca 0.36 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1u0f h GLU 77 Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1u0f h GLU 77 CO -0.16 0.59 -0.14 0.00 -1.00 0.00 0.00 179.01 178.30 1u0f h ALA 78 N 0.95 0.58 -0.79 3.43 0.00 -1.87 -2.75 119.26 118.81 1u0f h ALA 78 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1u0f h ALA 78 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1u0f h ALA 78 CO -0.00 0.49 0.43 0.00 0.00 0.00 0.00 179.25 180.17 1u0f h ALA 79 N 0.84 1.01 -0.22 0.00 0.00 -1.17 -1.70 119.26 118.02 1u0f h ALA 79 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u0f h ALA 79 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u0f h ALA 79 CO 0.05 0.52 0.14 -0.09 0.00 0.00 0.00 179.25 179.87 1u0f h ARG 80 N 1.09 0.30 -0.77 0.00 2.43 -1.28 -1.37 114.38 114.77 1u0f h ARG 80 Ca 0.28 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1u0f h ARG 80 Cb 0.04 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1u0f h ARG 80 CO -0.04 0.22 0.50 -0.44 -1.51 0.00 0.00 179.97 178.70 1u0f h ASP 81 N 0.29 0.90 -0.62 -3.80 5.19 -1.28 -1.85 116.42 115.25 1u0f h ASP 81 Ca 0.08 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 1u0f h ASP 81 Cb -0.01 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.25 1u0f h ASP 81 CO -0.02 0.66 0.12 0.78 -3.12 0.00 0.00 179.24 177.66 1u0f h ASN 82 N 1.05 0.98 0.05 6.45 -0.26 -0.88 -1.65 115.58 121.32 1u0f h ASN 82 Ca 0.28 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1u0f h ASN 82 Cb -0.11 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 36.90 1u0f h ASN 82 CO -0.06 0.96 -0.03 -0.03 -1.06 0.00 0.00 177.43 177.22 1u0f h MET 83 N 0.97 -0.07 0.00 0.81 4.05 -0.65 -1.90 114.93 118.14 1u0f h MET 83 Ca 0.20 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 1u0f h MET 83 Cb 0.39 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1u0f h MET 83 CO 0.01 0.01 -0.17 0.74 0.23 0.00 0.00 176.91 177.73 1u0f h PHE 84 N -0.13 0.00 -0.01 1.39 -1.00 -1.15 -2.71 116.94 113.33 1u0f h PHE 84 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1u0f h PHE 84 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1u0f h PHE 84 CO -0.05 0.17 -0.31 -1.13 -1.61 0.00 0.00 178.31 175.38 1u0f n SER 85 N -3.89 0.90 0.00 2.17 3.41 -0.64 -4.94 113.62 110.63 1u0f n SER 85 Ca -0.02 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1u0f n SER 85 Cb 0.26 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1u0f n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0f n GLY 86 N 1.37 0.82 3.74 5.00 0.00 -1.02 -4.21 105.19 110.89 1u0f n GLY 86 Ca 0.11 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1u0f n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u0f s SER 87 N -2.06 4.87 -1.50 1.61 0.01 -0.72 -4.73 113.70 111.18 1u0f s SER 87 Ca 0.00 2.67 -0.12 0.00 1.31 0.00 0.00 55.95 59.81 1u0f s SER 87 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1u0f s SER 87 CO 0.00 -1.83 2.44 0.29 0.41 0.00 0.00 173.24 174.55 1u0f n LYS 88 N -1.56 3.16 0.13 12.44 5.02 -1.26 -4.16 118.16 131.93 1u0f n LYS 88 Ca 0.14 -2.53 0.13 0.00 -2.02 0.00 0.00 58.31 54.03 1u0f n LYS 88 Cb 0.47 -3.12 0.43 0.00 -0.02 0.00 0.00 35.03 32.79 1u0f n LYS 88 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1u0f h ILE 89 N 3.67 0.00 -0.86 -0.18 3.07 -1.85 -3.36 117.51 118.01 1u0f h ILE 89 Ca 0.66 -0.43 -0.61 0.00 1.55 0.00 0.00 64.86 66.03 1u0f h ILE 89 Cb 0.53 1.34 -0.08 0.00 -0.27 0.00 0.00 36.82 38.34 1u0f h ILE 89 CO 1.84 0.00 1.90 0.21 -1.05 0.00 0.00 178.15 181.05 1u0f s ASN 90 N -4.59 6.51 0.44 2.16 3.04 -0.70 -4.84 114.94 116.97 1u0f s ASN 90 Ca 0.08 -2.11 0.24 0.00 0.04 0.00 0.00 52.86 51.11 1u0f s ASN 90 Cb 0.11 -2.58 0.57 0.00 -1.54 0.00 0.00 41.25 37.81 1u0f s ASN 90 CO 0.53 -1.51 1.68 0.10 -3.04 0.00 0.00 177.10 174.87 1u0f h TYR 91 N 8.36 0.00 0.00 0.43 -0.00 -1.83 -0.79 116.97 123.14 1u0f h TYR 91 Ca 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.94 1u0f h TYR 91 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.62 1u0f h TYR 91 CO 1.37 0.08 -0.79 1.79 -0.00 0.00 0.00 178.16 180.61 1u0f h THR 92 N 0.00 1.22 -0.12 -0.90 1.35 -1.93 -3.27 112.91 109.26 1u0f h THR 92 Ca -0.00 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1u0f h THR 92 Cb 0.93 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1u0f h THR 92 CO 0.01 0.70 0.00 -0.62 -0.25 0.00 0.00 175.52 175.36 1u0f n GLU 93 N -3.26 1.92 -3.74 4.72 1.02 -1.17 -5.01 120.64 115.12 1u0f n GLU 93 Ca 0.00 -1.81 -0.33 0.00 -0.02 0.00 0.00 57.16 55.00 1u0f n GLU 93 Cb 0.84 -1.40 0.03 0.00 -0.02 0.00 0.00 31.44 30.90 1u0f n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1u0f n ASP 94 N 1.15 -5.18 -4.08 1.62 2.03 -0.41 -5.01 116.55 106.66 1u0f n ASP 94 Ca 0.13 -1.03 -0.14 0.00 0.52 0.00 0.00 54.79 54.27 1u0f n ASP 94 Cb 0.51 -2.95 -0.12 0.00 -0.72 0.00 0.00 41.12 37.84 1u0f n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1u0f s ARG 95 N -6.04 0.59 0.90 -0.67 0.52 -0.55 -5.03 118.95 108.67 1u0f s ARG 95 Ca 0.41 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.72 1u0f s ARG 95 Cb -0.17 -0.42 0.13 0.00 0.52 0.00 0.00 34.95 35.01 1u0f s ARG 95 CO 0.88 0.08 1.10 0.00 0.02 0.00 0.00 175.30 177.39 1u0f s ALA 96 N -1.31 1.64 -0.33 2.13 0.00 -1.26 -1.72 121.76 120.91 1u0f s ALA 96 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1u0f s ALA 96 Cb -0.10 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 20.01 1u0f s ALA 96 CO 0.01 -2.29 0.12 0.08 0.00 0.00 0.00 175.76 173.69 1u0f s VAL 97 N -3.06 0.82 -0.30 0.00 1.01 -1.26 -4.39 120.40 113.22 1u0f s VAL 97 Ca 0.63 -1.51 0.16 0.00 0.00 0.00 0.00 61.98 61.26 1u0f s VAL 97 Cb -0.17 -1.62 0.48 0.00 0.00 0.00 0.00 36.38 35.07 1u0f s VAL 97 CO 0.56 -0.73 1.10 0.18 0.00 0.00 0.00 175.10 176.21 1u0f n LEU 98 N 4.67 2.80 0.26 3.92 4.77 -0.43 -4.73 117.00 128.26 1u0f n LEU 98 Ca -0.00 -3.86 0.13 0.00 -0.03 0.00 0.00 56.01 52.25 1u0f n LEU 98 Cb 0.41 0.14 0.80 0.00 -2.33 0.00 0.00 43.42 42.44 1u0f n LEU 98 CO 0.12 1.56 1.11 1.12 -1.33 0.00 0.00 177.39 179.97 1u0f h HIS 99 N 2.57 0.00 0.00 -1.77 2.07 -1.87 -1.66 115.15 114.48 1u0f h HIS 99 Ca 0.05 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.53 1u0f h HIS 99 Cb 1.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 1u0f h HIS 99 CO 0.63 0.00 -0.22 -0.39 -3.07 0.00 0.00 177.93 174.88 1u0f h VAL 100 N 0.00 1.05 -0.24 6.12 -1.51 -1.95 -2.33 116.25 117.39 1u0f h VAL 100 Ca 0.02 -0.78 -0.12 0.00 -1.23 0.00 0.00 66.70 64.59 1u0f h VAL 100 Cb 0.12 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 1u0f h VAL 100 CO -0.00 0.22 -0.35 0.00 -1.23 0.00 0.00 177.57 176.21 1u0f h ALA 101 N 1.78 0.94 -0.29 5.19 0.00 -1.67 -2.40 119.26 122.80 1u0f h ALA 101 Ca -0.00 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1u0f h ALA 101 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u0f h ALA 101 CO 0.03 0.62 0.20 -0.07 0.00 0.00 0.00 179.25 180.03 1u0f h LEU 102 N 0.45 0.15 -3.10 0.00 3.38 -1.40 -2.11 115.31 112.68 1u0f h LEU 102 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u0f h LEU 102 Cb 0.82 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1u0f h LEU 102 CO 0.07 0.10 0.00 -2.11 0.09 0.00 0.00 178.44 176.59 1u0f n ARG 103 N -4.48 1.93 -2.16 1.13 0.00 -1.18 -4.91 116.66 106.98 1u0f n ARG 103 Ca 0.03 -2.68 -0.33 0.00 -0.00 0.00 0.00 57.85 54.87 1u0f n ARG 103 Cb 0.24 -1.63 -0.05 0.00 -0.00 0.00 0.00 32.46 31.03 1u0f n ARG 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1u0f n ASN 104 N -1.07 3.53 0.26 2.89 5.15 -0.80 -4.40 115.26 120.82 1u0f n ASN 104 Ca 0.18 -2.75 0.13 0.00 -0.60 0.00 0.00 54.58 51.54 1u0f n ASN 104 Cb 0.74 -1.72 0.72 0.00 -0.53 0.00 0.00 39.78 38.98 1u0f n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1u0f h ARG 105 N 9.06 0.00 0.00 1.20 2.47 -1.89 -2.15 114.38 123.07 1u0f h ARG 105 Ca 0.29 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.99 1u0f h ARG 105 Cb 0.91 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1u0f h ARG 105 CO 1.32 0.12 -0.09 0.66 0.56 0.00 0.00 179.97 182.53 1u0f h SER 106 N 0.00 0.00 -0.43 7.04 4.64 -2.00 -3.47 113.55 119.33 1u0f h SER 106 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1u0f h SER 106 Cb 0.39 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.40 1u0f h SER 106 CO 0.02 0.09 -0.17 0.59 -0.87 0.00 0.00 176.83 176.49 1u0f n ASN 107 N -3.29 -5.59 -4.68 4.97 3.02 -0.81 -4.96 115.26 103.93 1u0f n ASN 107 Ca -0.00 0.22 -0.46 0.00 -0.03 0.00 0.00 54.58 54.32 1u0f n ASN 107 Cb 0.32 -3.89 -0.04 0.00 -0.61 0.00 0.00 39.78 35.55 1u0f n ASN 107 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1u0f n THR 108 N -2.24 0.41 -1.59 3.41 -1.04 -1.26 -4.87 114.28 107.10 1u0f n THR 108 Ca -0.09 -0.07 -0.48 0.00 -2.04 0.00 0.00 64.05 61.37 1u0f n THR 108 Cb 0.55 -1.90 -0.04 0.00 -1.82 0.00 0.00 70.33 67.12 1u0f n THR 108 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1u0f n PRO 109 N 5.70 1.25 -3.96 -2.82 -0.02 -1.26 -4.97 135.00 128.93 1u0f n PRO 109 Ca 0.20 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1u0f n PRO 109 Cb 0.32 -1.93 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 1u0f n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u0f s ILE 110 N -0.33 1.32 -0.15 4.25 1.01 -1.26 -5.04 121.20 121.00 1u0f s ILE 110 Ca 0.70 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 1u0f s ILE 110 Cb -0.81 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1u0f s ILE 110 CO 0.53 0.41 0.07 -0.54 0.00 0.00 0.00 174.94 175.41 1u0f s LYS 111 N 1.59 3.72 -0.12 2.79 1.02 -1.26 -1.06 119.74 126.42 1u0f s LYS 111 Ca 0.05 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.75 1u0f s LYS 111 Cb -0.13 -3.15 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1u0f s LYS 111 CO -0.10 0.44 -0.19 0.08 -0.92 0.00 0.00 175.35 174.66 1u0f s VAL 112 N -0.10 1.80 -1.52 3.17 1.01 -0.21 -4.45 120.40 120.10 1u0f s VAL 112 Ca 0.07 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1u0f s VAL 112 Cb -0.12 -1.61 0.08 0.00 0.00 0.00 0.00 36.38 34.73 1u0f s VAL 112 CO 0.01 0.50 0.97 0.47 0.00 0.00 0.00 175.10 177.05 1u0f n ASP 113 N 4.10 -4.61 0.00 3.32 8.00 -1.26 -1.96 116.55 124.13 1u0f n ASP 113 Ca -0.20 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1u0f n ASP 113 Cb 0.51 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 1u0f n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0f n GLY 114 N -1.70 0.57 3.39 0.44 0.00 -1.26 -5.00 105.19 101.63 1u0f n GLY 114 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1u0f n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0f s LYS 115 N -0.41 3.11 0.11 1.61 2.20 -0.83 -5.02 119.74 120.51 1u0f s LYS 115 Ca 0.00 -0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 1u0f s LYS 115 Cb 0.00 -2.53 -0.09 0.00 -1.51 0.00 0.00 37.83 33.70 1u0f s LYS 115 CO 0.00 0.33 1.53 0.34 -0.36 0.00 0.00 175.35 177.19 1u0f s ASP 116 N 0.05 6.67 0.16 1.43 2.15 -1.26 -1.05 116.67 124.82 1u0f s ASP 116 Ca -0.05 2.46 0.24 0.00 0.43 0.00 0.00 52.55 55.63 1u0f s ASP 116 Cb -0.15 -2.58 0.38 0.00 -0.30 0.00 0.00 42.92 40.27 1u0f s ASP 116 CO 0.04 -0.79 1.38 -0.37 -0.17 0.00 0.00 175.17 175.26 1u0f h VAL 117 N 4.40 0.00 -0.60 1.11 -1.51 -1.46 -3.40 116.25 114.78 1u0f h VAL 117 Ca -0.42 -0.57 0.03 0.00 -1.23 0.00 0.00 66.70 64.51 1u0f h VAL 117 Cb 1.20 1.23 -0.04 0.00 -2.13 0.00 0.00 31.29 31.55 1u0f h VAL 117 CO 0.91 0.00 0.36 0.24 -1.23 0.00 0.00 177.57 177.84 1u0f h MET 118 N 0.00 0.68 -0.78 5.19 2.86 -1.92 -2.01 114.93 118.94 1u0f h MET 118 Ca 0.00 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.74 1u0f h MET 118 Cb 0.78 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 32.20 1u0f h MET 118 CO 0.00 0.45 0.36 -1.35 1.06 0.00 0.00 176.91 177.42 1u0f h PRO 119 N 0.70 0.51 -0.26 -0.22 0.11 -1.98 0.03 132.00 130.89 1u0f h PRO 119 Ca 0.25 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 1u0f h PRO 119 Cb 0.06 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1u0f h PRO 119 CO -0.12 0.34 -0.32 0.93 -0.21 0.00 0.00 178.00 178.62 1u0f h GLU 120 N 0.52 0.67 -0.60 1.05 4.39 -1.77 -1.34 114.58 117.50 1u0f h GLU 120 Ca 0.42 -0.37 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1u0f h GLU 120 Cb 0.61 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 1u0f h GLU 120 CO -0.37 0.99 0.21 0.28 -1.16 0.00 0.00 179.01 178.95 1u0f h VAL 121 N 0.39 0.75 0.00 3.13 2.07 -1.03 -2.42 116.25 119.15 1u0f h VAL 121 Ca 0.03 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 1u0f h VAL 121 Cb 0.89 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1u0f h VAL 121 CO 0.08 0.07 -0.64 0.78 0.02 0.00 0.00 177.57 177.87 1u0f h ASN 122 N 0.38 0.00 -0.13 0.57 2.35 -0.86 -2.37 115.58 115.53 1u0f h ASN 122 Ca 0.30 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 1u0f h ASN 122 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1u0f h ASN 122 CO -0.32 0.64 0.02 -0.09 -1.65 0.00 0.00 177.43 176.03 1u0f h ARG 123 N 0.00 0.22 -0.71 0.81 2.43 -1.01 -0.99 114.38 115.14 1u0f h ARG 123 Ca -0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1u0f h ARG 123 Cb 1.20 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1u0f h ARG 123 CO 0.08 0.42 0.43 0.28 -1.51 0.00 0.00 179.97 179.68 1u0f h VAL 124 N -0.01 1.20 -0.84 0.20 2.07 -1.40 -1.18 116.25 116.29 1u0f h VAL 124 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1u0f h VAL 124 Cb 0.31 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1u0f h VAL 124 CO 0.00 0.21 0.53 -0.07 0.02 0.00 0.00 177.57 178.26 1u0f h LEU 125 N 0.96 0.99 -0.55 2.57 3.38 -1.33 -0.04 115.31 121.29 1u0f h LEU 125 Ca 0.25 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1u0f h LEU 125 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1u0f h LEU 125 CO -0.05 0.74 0.13 0.44 0.09 0.00 0.00 178.44 179.79 1u0f h ASP 126 N 1.15 0.84 -0.69 -0.43 3.45 -0.70 -1.24 116.42 118.80 1u0f h ASP 126 Ca 0.31 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 1u0f h ASP 126 Cb -0.09 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.43 1u0f h ASP 126 CO -0.06 0.85 0.37 0.50 -1.57 0.00 0.00 179.24 179.33 1u0f h LYS 127 N 0.79 0.96 -0.27 3.56 3.11 -0.82 -2.04 116.57 121.86 1u0f h LYS 127 Ca 0.17 -0.12 0.04 0.00 -2.81 0.00 0.00 60.65 57.93 1u0f h LYS 127 Cb 0.34 -0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 1u0f h LYS 127 CO 0.00 0.73 0.04 0.52 -2.81 0.00 0.00 179.45 177.94 1u0f h MET 128 N 0.95 0.14 -0.49 1.90 2.86 -0.79 -0.90 114.93 118.59 1u0f h MET 128 Ca 0.24 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.96 1u0f h MET 128 Cb 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.61 1u0f h MET 128 CO -0.04 0.09 0.08 -0.22 1.06 0.00 0.00 176.91 177.88 1u0f h LYS 129 N 0.14 0.21 -0.28 1.72 3.64 -1.04 0.00 116.57 120.96 1u0f h LYS 129 Ca 0.13 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1u0f h LYS 129 Cb 0.14 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1u0f h LYS 129 CO -0.17 0.14 0.17 1.03 -2.27 0.00 0.00 179.45 178.34 1u0f h SER 130 N 0.21 0.34 -0.33 4.20 0.87 -1.06 -1.35 113.55 116.43 1u0f h SER 130 Ca 0.25 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1u0f h SER 130 Cb 0.34 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1u0f h SER 130 CO -0.34 0.30 0.09 0.15 -0.53 0.00 0.00 176.83 176.50 1u0f h PHE 131 N 0.36 0.16 -0.52 2.24 3.57 -0.82 -1.60 116.94 120.33 1u0f h PHE 131 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1u0f h PHE 131 Cb 0.02 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1u0f h PHE 131 CO -0.04 0.06 0.27 0.00 -2.23 0.00 0.00 178.31 176.37 1u0f h GLN 133 N 0.53 0.44 -0.12 0.00 -0.00 -0.92 -0.85 115.11 114.19 1u0f h GLN 133 Ca 0.23 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 1u0f h GLN 133 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.49 1u0f h GLN 133 CO -0.15 0.29 0.03 0.00 0.00 0.00 0.00 178.83 179.00 1u0f h ARG 134 N 0.45 0.19 0.05 1.69 2.47 -0.83 -2.23 114.38 116.16 1u0f h ARG 134 Ca 0.24 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1u0f h ARG 134 Cb 0.20 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1u0f h ARG 134 CO -0.20 0.37 -0.02 0.28 0.56 0.00 0.00 179.97 180.96 1u0f h VAL 135 N -0.02 1.30 -0.23 2.04 2.07 -1.22 -1.20 116.25 118.98 1u0f h VAL 135 Ca 0.04 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 1u0f h VAL 135 Cb 0.27 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1u0f h VAL 135 CO 0.00 0.31 -0.06 0.03 0.02 0.00 0.00 177.57 177.87 1u0f h ARG 136 N -0.63 0.36 0.00 1.57 3.08 -1.22 -2.59 114.38 114.95 1u0f h ARG 136 Ca -0.01 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1u0f h ARG 136 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1u0f h ARG 136 CO 0.01 0.45 -0.31 0.66 -1.07 0.00 0.00 179.97 179.71 1u0f h SER 137 N 0.35 0.00 0.00 7.04 4.64 -1.49 -3.47 113.55 120.62 1u0f h SER 137 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1u0f h SER 137 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1u0f h SER 137 CO 0.02 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1u0f n GLY 138 N 0.37 0.58 0.15 -0.77 0.00 -0.98 -4.98 105.19 99.57 1u0f n GLY 138 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1u0f n GLY 138 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0f h ASP 139 N 0.00 0.00 -3.06 1.61 3.32 -1.68 -3.42 116.42 113.20 1u0f h ASP 139 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1u0f h ASP 139 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1u0f h ASP 139 CO 0.00 0.53 0.92 0.86 -1.72 0.00 0.00 179.24 179.84 1u0f s TRP 140 N -3.71 2.83 0.02 4.55 -0.11 -0.50 -5.02 118.94 117.01 1u0f s TRP 140 Ca -0.01 0.99 0.01 0.00 1.22 0.00 0.00 56.10 58.31 1u0f s TRP 140 Cb 0.13 -3.68 -0.04 0.00 -1.50 0.00 0.00 33.47 28.37 1u0f s TRP 140 CO 0.74 -1.55 0.06 0.15 -4.62 0.00 0.00 176.95 171.73 1u0f s LYS 141 N 3.80 2.95 1.05 5.86 -0.14 -1.26 -3.85 119.74 128.14 1u0f s LYS 141 Ca 0.54 -0.57 -0.18 0.00 -1.36 0.00 0.00 55.97 54.40 1u0f s LYS 141 Cb -0.18 -2.78 0.24 0.00 -1.68 0.00 0.00 37.83 33.43 1u0f s LYS 141 CO 0.18 0.62 1.30 0.20 -0.76 0.00 0.00 175.35 176.89 1u0f s GLY 142 N -1.90 1.77 0.64 -3.33 0.00 0.12 -4.85 107.32 99.76 1u0f s GLY 142 Ca 0.24 -1.27 0.42 0.00 0.00 0.00 0.00 44.72 44.11 1u0f s GLY 142 CO 0.16 -0.42 2.28 0.10 0.00 0.00 0.00 173.10 175.22 1u0f h TYR 143 N -1.97 0.00 -0.60 1.90 -0.00 -1.89 0.16 116.97 114.57 1u0f h TYR 143 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1u0f h TYR 143 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.96 1u0f h TYR 143 CO -1.72 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 176.69 1u0f n THR 144 N -3.10 0.83 -0.57 -0.90 -2.24 -1.26 -4.96 114.28 102.07 1u0f n THR 144 Ca -0.02 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1u0f n THR 144 Cb 0.13 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1u0f n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0f n GLY 145 N 1.54 0.69 3.92 3.38 0.00 0.55 -5.07 105.19 110.20 1u0f n GLY 145 Ca 0.22 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1u0f n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0f s LYS 146 N -0.63 3.53 0.61 1.61 1.02 -1.26 -4.72 119.74 119.90 1u0f s LYS 146 Ca 0.00 -0.29 -0.18 0.00 0.02 0.00 0.00 55.97 55.53 1u0f s LYS 146 Cb 0.00 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1u0f s LYS 146 CO 0.00 0.48 1.16 -1.12 -0.92 0.00 0.00 175.35 174.95 1u0f s SER 147 N -2.75 5.21 0.08 2.83 0.01 -1.26 0.11 113.70 117.92 1u0f s SER 147 Ca 0.38 2.23 -0.30 0.00 1.31 0.00 0.00 55.95 59.57 1u0f s SER 147 Cb -0.12 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 1u0f s SER 147 CO 0.27 -1.57 1.06 -0.63 0.41 0.00 0.00 173.24 172.78 1u0f s ILE 148 N -1.88 4.35 -0.07 1.44 -1.09 -1.25 -4.73 121.20 117.97 1u0f s ILE 148 Ca 0.73 1.80 0.07 0.00 -2.23 0.00 0.00 60.65 61.02 1u0f s ILE 148 Cb -0.26 -4.15 -0.09 0.00 -1.58 0.00 0.00 42.46 36.37 1u0f s ILE 148 CO 0.35 0.20 0.17 0.35 -1.23 0.00 0.00 174.94 174.78 1u0f n THR 149 N 3.36 0.00 -4.03 2.92 -2.24 -0.34 -4.87 114.28 109.09 1u0f n THR 149 Ca 0.05 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1u0f n THR 149 Cb 0.48 0.49 -0.16 0.00 -2.10 0.00 0.00 70.33 69.04 1u0f n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u0f s ASP 150 N -2.51 0.52 -0.11 3.42 1.11 -1.04 -1.64 116.67 116.42 1u0f s ASP 150 Ca -0.01 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.66 1u0f s ASP 150 Cb 0.04 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.81 1u0f s ASP 150 CO 0.27 -0.04 -0.12 -0.63 1.18 0.00 0.00 175.17 175.83 1u0f s ILE 151 N 0.63 3.19 -0.25 0.77 -1.09 0.29 -0.72 121.20 124.01 1u0f s ILE 151 Ca -0.07 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1u0f s ILE 151 Cb -0.10 -2.33 0.06 0.00 -1.58 0.00 0.00 42.46 38.52 1u0f s ILE 151 CO -0.01 0.54 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.53 1u0f s ILE 152 N 0.05 1.84 -0.16 2.92 1.09 0.40 -0.67 121.20 126.66 1u0f s ILE 152 Ca -0.04 -1.43 -0.27 0.00 -1.10 0.00 0.00 60.65 57.81 1u0f s ILE 152 Cb -0.14 -2.03 -0.01 0.00 -1.06 0.00 0.00 42.46 39.21 1u0f s ILE 152 CO 0.04 -0.07 0.90 0.21 -0.10 0.00 0.00 174.94 175.92 1u0f s ASN 153 N 1.25 7.05 -0.22 3.58 3.84 0.07 -0.21 114.94 130.30 1u0f s ASN 153 Ca -0.07 1.29 -0.02 0.00 0.21 0.00 0.00 52.86 54.27 1u0f s ASN 153 Cb -0.19 -2.49 0.01 0.00 -0.55 0.00 0.00 41.25 38.03 1u0f s ASN 153 CO -0.06 -0.44 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.10 1u0f s ILE 154 N 2.21 2.86 -0.13 -5.21 1.01 0.36 -0.82 121.20 121.49 1u0f s ILE 154 Ca 0.41 -0.82 -0.34 0.00 0.00 0.00 0.00 60.65 59.90 1u0f s ILE 154 Cb -0.17 -2.35 0.15 0.00 0.01 0.00 0.00 42.46 40.10 1u0f s ILE 154 CO 0.13 0.35 1.44 -0.83 0.00 0.00 0.00 174.94 176.03 1u0f s GLY 155 N 1.37 -0.46 0.12 6.18 0.00 -0.89 -0.56 107.32 113.08 1u0f s GLY 155 Ca 0.03 1.12 0.05 0.00 0.00 0.00 0.00 44.72 45.92 1u0f s GLY 155 CO -0.06 0.25 -0.12 -0.26 0.00 0.00 0.00 173.10 172.91 1u0f s ILE 156 N -2.00 1.13 0.00 0.90 -4.36 -1.26 -4.01 121.20 111.60 1u0f s ILE 156 Ca 0.15 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 1u0f s ILE 156 Cb 0.07 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.27 1u0f s ILE 156 CO -0.06 -0.54 0.00 0.61 0.24 0.00 0.00 174.94 175.19 1u0f n GLY 157 N 0.41 3.91 0.28 6.27 0.00 -1.26 -1.18 105.19 113.63 1u0f n GLY 157 Ca -0.15 0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.20 1u0f n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u0f h GLY 158 N 0.00 0.00 -0.12 -0.02 0.00 -1.97 0.67 103.07 101.63 1u0f h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u0f h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1u0f n SER 159 N -2.90 1.08 0.03 0.19 7.64 -0.32 -4.48 113.62 114.85 1u0f n SER 159 Ca -0.01 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.45 1u0f n SER 159 Cb 0.14 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1u0f n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1u0f n ASP 160 N -0.14 0.20 -0.25 6.43 2.03 -0.23 -4.48 116.55 120.12 1u0f n ASP 160 Ca 0.19 0.09 -0.04 0.00 0.52 0.00 0.00 54.79 55.55 1u0f n ASP 160 Cb 0.27 -0.01 0.07 0.00 -0.72 0.00 0.00 41.12 40.73 1u0f n ASP 160 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u0f h LEU 161 N 0.00 0.76 0.79 -2.67 3.38 -1.18 -1.67 115.31 114.72 1u0f h LEU 161 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1u0f h LEU 161 Cb 0.42 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1u0f h LEU 161 CO 0.00 0.53 -0.38 1.23 0.09 0.00 0.00 178.44 179.91 1u0f h GLY 162 N 0.90 -1.11 0.44 0.83 0.00 -1.80 0.06 103.07 102.38 1u0f h GLY 162 Ca 0.27 0.41 0.13 0.00 0.00 0.00 0.00 47.33 48.14 1u0f h GLY 162 CO -0.08 -0.40 0.62 -2.55 0.00 0.00 0.00 176.54 174.12 1u0f h PRO 163 N -1.21 0.94 0.18 4.80 0.11 -1.87 -0.53 132.00 134.41 1u0f h PRO 163 Ca -0.11 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1u0f h PRO 163 Cb 0.82 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1u0f h PRO 163 CO 0.18 0.62 -0.09 1.25 -0.21 0.00 0.00 178.00 179.75 1u0f h LEU 164 N 0.96 -0.21 -0.80 2.35 5.85 -1.28 -1.60 115.31 120.58 1u0f h LEU 164 Ca 0.50 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1u0f h LEU 164 Cb 0.52 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1u0f h LEU 164 CO -0.28 -0.01 0.39 -0.03 -0.34 0.00 0.00 178.44 178.18 1u0f h MET 165 N -0.40 1.16 -0.13 1.25 4.05 -0.57 -1.71 114.93 118.58 1u0f h MET 165 Ca -0.02 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.12 1u0f h MET 165 Cb 0.31 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1u0f h MET 165 CO 0.04 0.89 -0.35 0.28 0.23 0.00 0.00 176.91 178.00 1u0f h VAL 166 N 1.14 1.37 -0.48 -5.77 2.07 -1.12 -0.69 116.25 112.77 1u0f h VAL 166 Ca 0.28 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1u0f h VAL 166 Cb 0.11 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1u0f h VAL 166 CO -0.04 0.49 0.25 0.71 0.02 0.00 0.00 177.57 179.01 1u0f h THR 167 N 0.05 1.16 -0.34 2.57 1.35 -1.22 0.37 112.91 116.85 1u0f h THR 167 Ca -0.01 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.39 1u0f h THR 167 Cb 0.96 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1u0f h THR 167 CO 0.08 0.17 0.01 -0.33 -0.25 0.00 0.00 175.52 175.20 1u0f h GLU 168 N 0.67 0.59 -0.03 4.72 4.39 -1.22 -2.56 114.58 121.13 1u0f h GLU 168 Ca 0.17 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1u0f h GLU 168 Cb 0.04 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1u0f h GLU 168 CO -0.03 0.71 -0.44 0.00 -1.16 0.00 0.00 179.01 178.09 1u0f h ALA 169 N 0.86 1.20 -0.42 3.43 0.00 -0.68 -3.17 119.26 120.48 1u0f h ALA 169 Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1u0f h ALA 169 Cb 0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1u0f h ALA 169 CO 0.02 0.58 0.06 1.28 0.00 0.00 0.00 179.25 181.18 1u0f n LEU 170 N -4.00 4.61 -0.33 0.00 4.77 0.08 -4.76 117.00 117.37 1u0f n LEU 170 Ca -0.02 -3.23 0.15 0.00 -0.03 0.00 0.00 56.01 52.88 1u0f n LEU 170 Cb 0.48 -0.62 0.34 0.00 -2.33 0.00 0.00 43.42 41.29 1u0f n LEU 170 CO 0.41 0.83 1.12 0.50 -1.33 0.00 0.00 177.39 178.92 1u0f h LYS 171 N 1.95 0.53 0.00 3.23 1.63 -1.43 -0.17 116.57 122.31 1u0f h LYS 171 Ca 0.12 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1u0f h LYS 171 Cb 1.76 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 1u0f h LYS 171 CO 0.41 0.35 0.00 -1.35 -3.45 0.00 0.00 179.45 175.41 1u0f h PRO 172 N 0.55 0.00 -0.56 1.90 0.11 -1.89 -2.50 132.00 129.61 1u0f h PRO 172 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1u0f h PRO 172 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u0f h PRO 172 CO -0.47 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.98 1u0f n TYR 173 N -3.05 0.84 -0.40 0.65 4.02 -0.08 -4.24 117.16 114.90 1u0f n TYR 173 Ca -0.03 -0.38 0.10 0.00 -0.01 0.00 0.00 57.90 57.58 1u0f n TYR 173 Cb 0.07 -0.08 0.30 0.00 -0.02 0.00 0.00 39.34 39.61 1u0f n TYR 173 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0f n SER 174 N 0.90 3.93 -4.71 7.72 3.41 -0.94 -4.44 113.62 119.49 1u0f n SER 174 Ca 0.18 -2.12 -0.43 0.00 -0.26 0.00 0.00 58.87 56.24 1u0f n SER 174 Cb 0.53 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1u0f n SER 174 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1u0f n LYS 175 N 1.27 2.52 -0.87 4.33 0.00 -1.26 -1.34 118.16 122.81 1u0f n LYS 175 Ca 0.22 0.90 0.00 0.00 0.00 0.00 0.00 58.31 59.44 1u0f n LYS 175 Cb 0.65 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.99 1u0f n LYS 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1u0f n GLY 176 N 2.94 1.20 3.95 3.14 0.00 -1.26 -5.02 105.19 110.13 1u0f n GLY 176 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1u0f n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0f s GLY 177 N -2.00 1.47 0.60 -0.02 0.00 -0.45 -4.98 107.32 101.94 1u0f s GLY 177 Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 1u0f s GLY 177 CO 0.00 -0.85 1.07 2.56 0.00 0.00 0.00 173.10 175.89 1u0f s PRO 178 N -4.47 3.22 0.58 2.90 0.04 -1.26 -5.01 135.00 131.00 1u0f s PRO 178 Ca 0.45 1.29 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 1u0f s PRO 178 Cb -0.10 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1u0f s PRO 178 CO 0.37 -0.90 1.29 1.03 0.04 0.00 0.00 177.00 178.84 1u0f s ARG 179 N -3.96 2.99 -0.03 4.56 0.52 -0.65 -4.74 118.95 117.63 1u0f s ARG 179 Ca 0.65 2.06 0.06 0.00 -0.52 0.00 0.00 55.73 57.98 1u0f s ARG 179 Cb -0.18 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 1u0f s ARG 179 CO 0.36 -1.26 -0.20 0.54 0.02 0.00 0.00 175.30 174.76 1u0f s VAL 180 N -1.41 1.63 0.06 3.52 0.11 -1.26 -0.55 120.40 122.49 1u0f s VAL 180 Ca 0.75 -0.86 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 1u0f s VAL 180 Cb -0.37 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1u0f s VAL 180 CO 0.41 0.46 -0.17 0.26 -3.33 0.00 0.00 175.10 172.74 1u0f s TRP 181 N -0.27 1.43 -0.14 1.54 0.52 0.15 -4.97 118.94 117.20 1u0f s TRP 181 Ca 0.02 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.77 1u0f s TRP 181 Cb -0.10 -0.83 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 1u0f s TRP 181 CO 0.01 0.08 -0.16 -0.06 0.02 0.00 0.00 176.95 176.84 1u0f s PHE 182 N -0.96 2.25 -0.15 -1.98 0.40 -1.26 -0.75 117.98 115.52 1u0f s PHE 182 Ca 0.03 -1.21 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1u0f s PHE 182 Cb -0.09 -1.62 -0.00 0.00 0.51 0.00 0.00 43.02 41.82 1u0f s PHE 182 CO 0.02 -0.63 -0.14 0.08 0.70 0.00 0.00 175.22 175.24 1u0f s VAL 183 N 1.27 2.75 0.00 -0.44 1.01 0.00 -4.97 120.40 120.02 1u0f s VAL 183 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1u0f s VAL 183 Cb -0.14 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1u0f s VAL 183 CO -0.08 0.51 0.00 -1.54 0.00 0.00 0.00 175.10 173.99 1u0f n SER 184 N 4.00 0.09 -4.77 3.32 3.41 -1.26 -2.09 113.62 116.33 1u0f n SER 184 Ca -0.19 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.03 1u0f n SER 184 Cb 0.52 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1u0f n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u0f s ASN 185 N -4.32 6.10 0.35 4.04 3.84 -1.26 -4.71 114.94 118.98 1u0f s ASN 185 Ca 0.00 2.74 0.11 0.00 0.21 0.00 0.00 52.86 55.93 1u0f s ASN 185 Cb 0.00 -2.64 0.66 0.00 -0.55 0.00 0.00 41.25 38.72 1u0f s ASN 185 CO 0.00 -1.01 1.80 -0.29 -2.79 0.00 0.00 177.10 174.81 1u0f h ILE 186 N 2.34 1.28 -1.17 -5.21 6.09 -1.99 -3.44 117.51 115.41 1u0f h ILE 186 Ca -0.50 -1.33 -0.82 0.00 -1.37 0.00 0.00 64.86 60.84 1u0f h ILE 186 Cb 1.26 1.68 0.01 0.00 0.47 0.00 0.00 36.82 40.23 1u0f h ILE 186 CO 0.62 0.38 0.81 -0.67 -3.07 0.00 0.00 178.15 176.22 1u0f n ASP 187 N -4.08 1.66 0.22 2.19 4.64 -1.26 -4.76 116.55 115.16 1u0f n ASP 187 Ca -0.02 1.11 0.15 0.00 -1.38 0.00 0.00 54.79 54.66 1u0f n ASP 187 Cb 0.42 -0.99 0.74 0.00 -1.04 0.00 0.00 41.12 40.25 1u0f n ASP 187 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1u0f h GLY 188 N 6.15 0.00 0.09 0.27 0.00 -2.02 -0.88 103.07 106.68 1u0f h GLY 188 Ca -0.43 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.10 1u0f h GLY 188 CO 0.98 0.00 0.61 -0.84 0.00 0.00 0.00 176.54 177.29 1u0f h THR 189 N 0.00 0.68 0.37 4.70 2.02 -1.94 -1.08 112.91 117.65 1u0f h THR 189 Ca 0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1u0f h THR 189 Cb 0.19 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1u0f h THR 189 CO 0.00 0.13 -0.18 -0.74 0.37 0.00 0.00 175.52 175.11 1u0f h HIS 190 N 0.73 -0.46 -0.54 3.16 2.76 -1.46 -1.00 115.15 118.35 1u0f h HIS 190 Ca 0.59 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.63 1u0f h HIS 190 Cb 0.96 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.06 1u0f h HIS 190 CO -0.00 -0.14 -0.12 0.97 -1.30 0.00 0.00 177.93 177.33 1u0f h ILE 191 N -0.78 1.27 -0.29 6.26 2.10 -1.72 -2.89 117.51 121.45 1u0f h ILE 191 Ca -0.05 -1.29 -0.01 0.00 1.08 0.00 0.00 64.86 64.60 1u0f h ILE 191 Cb 0.52 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 1u0f h ILE 191 CO 0.08 0.45 0.16 0.00 -1.08 0.00 0.00 178.15 177.76 1u0f h ALA 192 N 0.92 0.38 0.00 0.18 0.00 -1.12 -0.02 119.26 119.59 1u0f h ALA 192 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1u0f h ALA 192 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u0f h ALA 192 CO 0.05 -0.08 -0.39 1.57 0.00 0.00 0.00 179.25 180.40 1u0f h LYS 193 N 0.35 0.00 0.09 0.00 2.10 -1.25 -2.04 116.57 115.82 1u0f h LYS 193 Ca 0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1u0f h LYS 193 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1u0f h LYS 193 CO -0.02 0.39 -0.04 1.15 -2.00 0.00 0.00 179.45 178.93 1u0f h THR 194 N 0.00 1.16 -0.00 0.07 2.02 -1.24 -3.29 112.91 111.62 1u0f h THR 194 Ca -0.00 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1u0f h THR 194 Cb 0.95 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1u0f h THR 194 CO 0.05 0.24 -0.14 -0.07 0.37 0.00 0.00 175.52 175.96 1u0f h LEU 195 N -0.58 0.00 -2.38 2.58 3.38 -0.91 -2.54 115.31 114.86 1u0f h LEU 195 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u0f h LEU 195 Cb 0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1u0f h LEU 195 CO 0.02 0.15 -0.04 0.00 0.09 0.00 0.00 178.44 178.66 1u0f h ALA 196 N 1.85 1.27 -0.70 1.53 0.00 -1.43 -2.44 119.26 119.34 1u0f h ALA 196 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u0f h ALA 196 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u0f h ALA 196 CO 0.02 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.74 1u0f n SER 197 N -3.52 3.79 -4.33 0.00 7.64 -0.96 -5.00 113.62 111.26 1u0f n SER 197 Ca -0.02 -2.00 -0.24 0.00 1.01 0.00 0.00 58.87 57.62 1u0f n SER 197 Cb 0.14 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 1u0f n SER 197 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u0f s LEU 198 N -1.01 2.38 -0.16 -3.43 1.02 -0.92 -5.14 118.68 111.41 1u0f s LEU 198 Ca 0.47 -0.79 -0.05 0.00 0.02 0.00 0.00 54.13 53.78 1u0f s LEU 198 Cb 0.25 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.51 1u0f s LEU 198 CO 0.32 0.03 0.02 -0.55 0.02 0.00 0.00 176.35 176.19 1u0f s SER 199 N -2.33 5.26 0.59 2.29 0.15 -1.26 -5.00 113.70 113.39 1u0f s SER 199 Ca 0.12 0.00 0.29 0.00 0.70 0.00 0.00 55.95 57.06 1u0f s SER 199 Cb -0.08 -1.86 1.77 0.00 -1.71 0.00 0.00 66.02 64.14 1u0f s SER 199 CO 0.06 0.19 2.23 -0.65 1.20 0.00 0.00 173.24 176.27 1u0f h PRO 200 N 6.58 0.00 0.00 5.44 0.11 -1.95 -2.30 132.00 139.88 1u0f h PRO 200 Ca -0.35 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 1u0f h PRO 200 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1u0f h PRO 200 CO 0.66 0.00 -0.34 0.93 -0.21 0.00 0.00 178.00 179.04 1u0f h GLU 201 N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.33 114.58 115.41 1u0f h GLU 201 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1u0f h GLU 201 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1u0f h GLU 201 CO -0.00 0.34 -0.08 0.25 -1.00 0.00 0.00 179.01 178.52 1u0f n THR 202 N -3.68 0.82 -4.31 1.13 -2.24 -0.90 -4.28 114.28 100.81 1u0f n THR 202 Ca -0.01 -0.91 -0.34 0.00 -2.27 0.00 0.00 64.05 60.52 1u0f n THR 202 Cb 0.45 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.00 1u0f n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1u0f s SER 203 N -1.23 5.11 -0.17 3.42 0.01 -0.98 -1.20 113.70 118.65 1u0f s SER 203 Ca 0.08 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 1u0f s SER 203 Cb 0.07 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1u0f s SER 203 CO 0.01 0.24 -0.11 -0.22 0.41 0.00 0.00 173.24 173.56 1u0f s LEU 204 N -0.03 2.68 -0.16 2.44 0.20 0.10 -4.79 118.68 119.12 1u0f s LEU 204 Ca 0.03 -0.41 -0.12 0.00 0.69 0.00 0.00 54.13 54.32 1u0f s LEU 204 Cb -0.13 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.95 1u0f s LEU 204 CO 0.02 0.06 0.24 -0.36 -0.29 0.00 0.00 176.35 176.02 1u0f s PHE 205 N 0.97 3.48 -0.29 5.38 0.40 0.40 -0.46 117.98 127.86 1u0f s PHE 205 Ca -0.02 0.54 -0.05 0.00 -0.60 0.00 0.00 56.93 56.80 1u0f s PHE 205 Cb -0.15 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.16 1u0f s PHE 205 CO -0.01 0.34 0.05 0.42 0.70 0.00 0.00 175.22 176.71 1u0f s ILE 206 N 0.16 3.62 -0.44 0.64 1.01 0.71 -1.20 121.20 125.70 1u0f s ILE 206 Ca 0.14 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 1u0f s ILE 206 Cb -0.13 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.47 1u0f s ILE 206 CO 0.03 0.06 0.51 -0.63 0.00 0.00 0.00 174.94 174.91 1u0f s ILE 207 N 1.43 5.00 -0.37 2.92 -1.09 0.10 -0.49 121.20 128.71 1u0f s ILE 207 Ca 0.01 -0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.07 1u0f s ILE 207 Cb -0.18 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1u0f s ILE 207 CO 0.01 -0.51 0.18 0.00 -1.23 0.00 0.00 174.94 173.38 1u0f s ALA 208 N 2.36 3.21 -0.30 9.38 0.00 0.28 -1.35 121.76 135.33 1u0f s ALA 208 Ca 0.15 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 1u0f s ALA 208 Cb -0.17 -2.50 0.20 0.00 0.00 0.00 0.00 23.12 20.65 1u0f s ALA 208 CO 0.15 -1.38 1.26 0.45 0.00 0.00 0.00 175.76 176.23 1u0f s SER 209 N 1.51 -0.11 0.13 0.00 0.15 -0.57 -4.47 113.70 110.35 1u0f s SER 209 Ca 0.01 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 1u0f s SER 209 Cb -0.19 1.12 -0.08 0.00 -1.71 0.00 0.00 66.02 65.15 1u0f s SER 209 CO 0.05 -0.02 1.50 0.11 1.20 0.00 0.00 173.24 176.09 1u0f h LYS 210 N 6.79 -0.18 0.00 5.44 1.57 -1.96 -2.78 116.57 125.45 1u0f h LYS 210 Ca -0.16 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1u0f h LYS 210 Cb 1.13 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1u0f h LYS 210 CO 0.09 -0.12 -0.06 1.79 -0.57 0.00 0.00 179.45 180.58 1u0f h THR 211 N -0.19 0.10 -3.77 -0.16 1.35 -1.98 -2.87 112.91 105.39 1u0f h THR 211 Ca 0.11 -1.14 -0.35 0.00 -0.55 0.00 0.00 66.41 64.48 1u0f h THR 211 Cb 0.47 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1u0f h THR 211 CO -0.71 0.06 -0.47 0.33 -0.25 0.00 0.00 175.52 174.48 1u0f n PHE 212 N -3.11 -1.38 -0.58 4.73 7.35 -1.05 -4.65 117.46 118.76 1u0f n PHE 212 Ca 0.04 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1u0f n PHE 212 Cb 0.55 -3.51 0.00 0.00 0.35 0.00 0.00 39.48 36.87 1u0f n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1u0f n THR 213 N -3.85 0.01 -1.68 -2.13 -2.24 -1.26 -4.94 114.28 98.19 1u0f n THR 213 Ca -0.17 -0.22 -0.47 0.00 -2.27 0.00 0.00 64.05 60.93 1u0f n THR 213 Cb 0.64 1.55 -0.04 0.00 -2.10 0.00 0.00 70.33 70.38 1u0f n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u0f n THR 214 N -0.01 0.45 0.10 4.28 -1.04 -1.26 -4.86 114.28 111.95 1u0f n THR 214 Ca 0.00 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 1u0f n THR 214 Cb 0.15 -1.88 -0.06 0.00 -1.82 0.00 0.00 70.33 66.72 1u0f n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1u0f h GLN 215 N 8.58 -0.26 -0.39 -2.82 4.15 -1.98 0.29 115.11 122.69 1u0f h GLN 215 Ca -0.48 0.02 0.01 0.00 0.77 0.00 0.00 58.65 58.97 1u0f h GLN 215 Cb 1.26 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.99 1u0f h GLN 215 CO 0.93 -0.17 0.25 0.93 -1.93 0.00 0.00 178.83 178.84 1u0f h GLU 216 N -0.26 0.49 -0.04 1.69 3.07 -1.94 -1.01 114.58 116.57 1u0f h GLU 216 Ca 0.01 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1u0f h GLU 216 Cb 0.26 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1u0f h GLU 216 CO -0.04 0.32 -0.02 1.15 -1.40 0.00 0.00 179.01 179.02 1u0f h THR 217 N 0.50 1.33 -0.63 1.13 2.02 -1.81 -1.35 112.91 114.10 1u0f h THR 217 Ca 0.15 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.22 1u0f h THR 217 Cb -0.03 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1u0f h THR 217 CO -0.05 0.28 0.09 0.40 0.37 0.00 0.00 175.52 176.61 1u0f h ILE 218 N -0.32 1.26 -0.23 3.11 1.08 -0.95 0.42 117.51 121.88 1u0f h ILE 218 Ca 0.01 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1u0f h ILE 218 Cb 0.46 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1u0f h ILE 218 CO 0.01 0.38 0.13 0.74 -0.69 0.00 0.00 178.15 178.72 1u0f h THR 219 N 0.97 1.10 -0.80 -0.27 2.02 -1.16 0.58 112.91 115.34 1u0f h THR 219 Ca 0.19 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1u0f h THR 219 Cb 0.43 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1u0f h THR 219 CO 0.01 0.10 0.52 0.78 0.37 0.00 0.00 175.52 177.30 1u0f h ASN 220 N 0.27 0.86 -0.67 4.18 2.35 -1.07 -1.56 115.58 119.94 1u0f h ASN 220 Ca 0.08 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1u0f h ASN 220 Cb 0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1u0f h ASN 220 CO -0.01 0.60 0.16 0.00 -1.65 0.00 0.00 177.43 176.52 1u0f h ALA 221 N 1.33 0.98 -0.36 -0.83 0.00 -0.61 -1.17 119.26 118.60 1u0f h ALA 221 Ca 0.32 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1u0f h ALA 221 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1u0f h ALA 221 CO -0.11 0.66 -0.24 0.93 0.00 0.00 0.00 179.25 180.49 1u0f h GLU 222 N 1.04 0.71 -0.69 0.00 5.08 -0.66 -1.41 114.58 118.66 1u0f h GLU 222 Ca 0.21 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1u0f h GLU 222 Cb 0.38 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1u0f h GLU 222 CO 0.00 0.88 0.25 1.15 -1.00 0.00 0.00 179.01 180.30 1u0f h THR 223 N 0.62 1.25 -0.51 1.13 2.02 -1.02 -1.64 112.91 114.76 1u0f h THR 223 Ca 0.09 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 1u0f h THR 223 Cb 0.73 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1u0f h THR 223 CO 0.06 0.32 0.04 0.00 0.37 0.00 0.00 175.52 176.31 1u0f h ALA 224 N 1.11 1.11 -0.47 6.16 0.00 -0.94 -2.27 119.26 123.97 1u0f h ALA 224 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1u0f h ALA 224 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1u0f h ALA 224 CO -0.01 0.57 -0.04 -0.22 0.00 0.00 0.00 179.25 179.54 1u0f h LYS 225 N 0.78 0.85 -0.49 0.00 3.64 -1.06 -1.10 116.57 119.19 1u0f h LYS 225 Ca 0.16 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1u0f h LYS 225 Cb 0.41 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1u0f h LYS 225 CO 0.01 0.92 0.31 1.49 -2.27 0.00 0.00 179.45 179.91 1u0f h GLU 226 N 0.70 0.60 -0.57 1.90 4.81 -1.10 0.04 114.58 120.97 1u0f h GLU 226 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1u0f h GLU 226 Cb 0.57 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1u0f h GLU 226 CO 0.03 0.40 0.26 2.35 -0.73 0.00 0.00 179.01 181.32 1u0f h TRP 227 N 0.62 0.83 -0.37 0.92 7.01 -1.32 -2.36 115.95 121.28 1u0f h TRP 227 Ca 0.19 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1u0f h TRP 227 Cb -0.02 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 1u0f h TRP 227 CO -0.06 0.65 0.20 0.35 -2.79 0.00 0.00 178.44 176.80 1u0f h PHE 228 N 0.77 0.51 0.00 2.65 3.57 -0.89 -2.98 116.94 120.57 1u0f h PHE 228 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1u0f h PHE 228 Cb 0.15 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1u0f h PHE 228 CO 0.00 0.40 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.30 1u0f h LEU 229 N 0.47 0.00 -1.32 0.59 3.38 -0.87 -0.80 115.31 116.76 1u0f h LEU 229 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1u0f h LEU 229 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1u0f h LEU 229 CO -0.02 0.12 0.24 -0.08 0.09 0.00 0.00 178.44 178.78 1u0f h GLU 230 N 0.00 0.70 0.06 1.13 4.81 -1.26 0.12 114.58 120.15 1u0f h GLU 230 Ca -0.00 -0.08 -0.24 0.00 -0.13 0.00 0.00 59.36 58.90 1u0f h GLU 230 Cb 0.66 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1u0f h GLU 230 CO 0.01 0.55 -1.28 0.00 -0.73 0.00 0.00 179.01 177.57 1u0f h ALA 231 N 1.56 0.22 0.03 2.92 0.00 -1.52 -3.40 119.26 119.06 1u0f h ALA 231 Ca 0.18 -1.11 -0.25 0.00 0.00 0.00 0.00 54.91 53.73 1u0f h ALA 231 Cb 0.08 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1u0f h ALA 231 CO -0.02 0.75 -1.02 0.00 0.00 0.00 0.00 179.25 178.96 1u0f h ALA 232 N -0.20 0.26 -1.15 0.00 0.00 -1.15 -3.47 119.26 113.55 1u0f h ALA 232 Ca -0.30 -0.73 -0.41 0.00 0.00 0.00 0.00 54.91 53.47 1u0f h ALA 232 Cb 1.54 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.19 1u0f h ALA 232 CO -0.05 0.79 -0.37 1.63 0.00 0.00 0.00 179.25 181.25 1u0f n LYS 233 N -3.75 -1.45 -3.48 0.00 5.02 0.42 -4.94 118.16 109.98 1u0f n LYS 233 Ca -0.08 1.16 -0.18 0.00 -2.02 0.00 0.00 58.31 57.19 1u0f n LYS 233 Cb 0.88 -5.54 -0.13 0.00 -0.02 0.00 0.00 35.03 30.22 1u0f n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1u0f s ASP 234 N -2.65 1.36 0.46 4.39 3.68 -1.26 -5.04 116.67 117.60 1u0f s ASP 234 Ca 0.00 -0.23 0.23 0.00 2.13 0.00 0.00 52.55 54.68 1u0f s ASP 234 Cb 0.00 0.41 1.24 0.00 -1.45 0.00 0.00 42.92 43.12 1u0f s ASP 234 CO 0.00 -0.33 1.85 -0.65 0.13 0.00 0.00 175.17 176.17 1u0f h PRO 235 N 8.31 0.24 0.00 4.34 0.11 -1.96 -0.54 132.00 142.49 1u0f h PRO 235 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1u0f h PRO 235 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u0f h PRO 235 CO 0.28 0.16 0.00 0.66 -0.21 0.00 0.00 178.00 178.89 1u0f h SER 236 N 0.25 0.00 1.22 -2.05 4.64 -1.96 -2.98 113.55 112.67 1u0f h SER 236 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1u0f h SER 236 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1u0f h SER 236 CO -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 1u0f n ALA 237 N -1.87 2.05 -0.32 5.18 0.00 -0.21 -3.52 120.51 121.81 1u0f n ALA 237 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.51 1u0f n ALA 237 Cb 0.27 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.49 1u0f n ALA 237 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u0f h VAL 238 N 0.00 1.09 0.00 0.00 2.07 -1.67 -2.38 116.25 115.36 1u0f h VAL 238 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1u0f h VAL 238 Cb 0.61 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1u0f h VAL 238 CO 0.00 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1u0f h ALA 239 N 1.49 1.00 -0.00 1.67 0.00 -1.59 -0.50 119.26 121.32 1u0f h ALA 239 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1u0f h ALA 239 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1u0f h ALA 239 CO -0.15 0.00 -0.37 1.63 0.00 0.00 0.00 179.25 180.36 1u0f n LYS 240 N -2.99 0.18 0.00 0.00 5.02 -0.90 -4.37 118.16 115.11 1u0f n LYS 240 Ca -0.02 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1u0f n LYS 240 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1u0f n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1u0f n HIS 241 N -1.33 0.00 -4.08 2.13 8.25 -0.30 -4.78 115.22 115.11 1u0f n HIS 241 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.33 1u0f n HIS 241 Cb 0.33 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 1u0f n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1u0f s PHE 242 N -0.03 0.68 0.21 4.41 0.40 -0.57 -0.45 117.98 122.63 1u0f s PHE 242 Ca 0.00 -0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.23 1u0f s PHE 242 Cb 0.00 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 1u0f s PHE 242 CO 0.00 -0.20 -0.12 0.14 0.70 0.00 0.00 175.22 175.74 1u0f s VAL 243 N 1.07 1.62 0.02 -0.44 -7.23 -0.35 -4.68 120.40 110.41 1u0f s VAL 243 Ca -0.09 -2.17 0.07 0.00 -1.81 0.00 0.00 61.98 57.98 1u0f s VAL 243 Cb -0.14 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1u0f s VAL 243 CO -0.01 -0.56 -0.20 0.00 -0.31 0.00 0.00 175.10 174.03 1u0f s ALA 244 N -3.04 1.66 -0.44 1.32 0.00 -0.40 -0.72 121.76 120.13 1u0f s ALA 244 Ca 0.23 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1u0f s ALA 244 Cb 0.01 -0.36 0.12 0.00 0.00 0.00 0.00 23.12 22.89 1u0f s ALA 244 CO 0.07 0.38 0.22 -0.51 0.00 0.00 0.00 175.76 175.92 1u0f s LEU 245 N -0.91 5.08 0.09 0.00 1.43 -0.46 -0.82 118.68 123.11 1u0f s LEU 245 Ca 0.07 -2.28 -0.27 0.00 -1.03 0.00 0.00 54.13 50.62 1u0f s LEU 245 Cb -0.08 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.44 1u0f s LEU 245 CO 0.01 -0.46 1.08 -0.55 0.23 0.00 0.00 176.35 176.66 1u0f s SER 246 N 1.28 -0.13 0.00 2.29 0.15 -0.85 -1.51 113.70 114.93 1u0f s SER 246 Ca 0.11 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1u0f s SER 246 Cb -0.22 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1u0f s SER 246 CO -0.04 -0.68 0.11 0.35 1.20 0.00 0.00 173.24 174.17 1u0f n THR 247 N -0.48 0.00 -2.52 6.45 -2.24 -1.08 -4.00 114.28 110.40 1u0f n THR 247 Ca -0.07 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.85 1u0f n THR 247 Cb 0.61 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 1u0f n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1u0f s ASN 248 N -1.17 6.62 0.21 3.42 3.84 -1.25 -4.84 114.94 121.77 1u0f s ASN 248 Ca 0.01 -2.28 -0.09 0.00 0.21 0.00 0.00 52.86 50.70 1u0f s ASN 248 Cb 0.02 -2.58 0.30 0.00 -0.55 0.00 0.00 41.25 38.44 1u0f s ASN 248 CO 0.09 -1.40 1.72 0.74 -2.79 0.00 0.00 177.10 175.46 1u0f h THR 249 N 5.73 0.69 -0.09 -5.21 2.02 -1.96 -2.23 112.91 111.86 1u0f h THR 249 Ca 0.41 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 1u0f h THR 249 Cb 0.89 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1u0f h THR 249 CO 1.43 0.06 0.04 0.00 0.37 0.00 0.00 175.52 177.42 1u0f h ALA 250 N 1.46 0.12 -0.83 6.16 0.00 -1.99 -1.05 119.26 123.13 1u0f h ALA 250 Ca 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1u0f h ALA 250 Cb 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1u0f h ALA 250 CO -0.37 -0.30 0.40 0.87 0.00 0.00 0.00 179.25 179.85 1u0f h LYS 251 N 0.01 1.19 -0.53 0.00 1.79 -1.88 0.11 116.57 117.26 1u0f h LYS 251 Ca 0.03 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1u0f h LYS 251 Cb 0.15 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 1u0f h LYS 251 CO -0.00 0.92 0.27 0.28 -1.08 0.00 0.00 179.45 179.83 1u0f h VAL 252 N 1.18 1.19 -0.48 0.50 2.07 -1.32 -1.11 116.25 118.28 1u0f h VAL 252 Ca 0.29 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1u0f h VAL 252 Cb 0.11 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1u0f h VAL 252 CO -0.04 0.22 0.13 0.11 0.02 0.00 0.00 177.57 178.01 1u0f h LYS 253 N 0.72 0.75 -0.10 1.57 1.57 -0.68 -2.08 116.57 118.32 1u0f h LYS 253 Ca 0.18 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1u0f h LYS 253 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1u0f h LYS 253 CO -0.03 0.73 -0.12 1.49 -0.57 0.00 0.00 179.45 180.95 1u0f h GLU 254 N 0.64 0.16 -0.08 3.15 4.81 -0.58 -1.60 114.58 121.07 1u0f h GLU 254 Ca 0.15 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1u0f h GLU 254 Cb 0.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1u0f h GLU 254 CO -0.00 0.29 -0.20 0.35 -0.73 0.00 0.00 179.01 178.72 1u0f h PHE 255 N 0.15 0.14 0.00 0.92 3.57 -1.01 -3.47 116.94 117.25 1u0f h PHE 255 Ca 0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1u0f h PHE 255 Cb 0.32 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1u0f h PHE 255 CO 0.00 0.33 0.00 0.41 -2.23 0.00 0.00 178.31 176.83 1u0f n GLY 256 N -0.80 1.25 3.69 2.40 0.00 -0.60 -5.05 105.19 106.08 1u0f n GLY 256 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1u0f n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u0f s ILE 257 N -2.00 5.03 -0.15 -0.61 1.01 -0.80 -3.38 121.20 120.31 1u0f s ILE 257 Ca 0.00 1.30 -0.36 0.00 0.00 0.00 0.00 60.65 61.59 1u0f s ILE 257 Cb 0.00 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 1u0f s ILE 257 CO 0.00 0.17 1.85 -0.67 0.00 0.00 0.00 174.94 176.30 1u0f n ASP 258 N 4.48 3.13 0.16 3.58 -0.08 -1.26 -4.05 116.55 122.50 1u0f n ASP 258 Ca -0.01 0.99 0.10 0.00 -1.51 0.00 0.00 54.79 54.36 1u0f n ASP 258 Cb 0.50 -1.30 0.54 0.00 2.34 0.00 0.00 41.12 43.20 1u0f n ASP 258 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1u0f n PRO 259 N 6.36 0.13 0.10 -0.67 -0.04 -1.26 0.53 135.00 140.15 1u0f n PRO 259 Ca 0.24 0.62 0.02 0.00 -0.04 0.00 0.00 63.50 64.35 1u0f n PRO 259 Cb 0.25 -1.96 0.38 0.00 -0.04 0.00 0.00 33.50 32.12 1u0f n PRO 259 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1u0f h GLN 260 N 0.00 0.27 -1.02 0.54 4.15 -2.02 -3.06 115.11 113.97 1u0f h GLN 260 Ca 0.00 -0.06 -0.42 0.00 0.77 0.00 0.00 58.65 58.94 1u0f h GLN 260 Cb 0.08 -0.04 -0.24 0.00 0.21 0.00 0.00 27.48 27.49 1u0f h GLN 260 CO 0.00 0.40 0.53 0.09 -1.93 0.00 0.00 178.83 177.92 1u0f n ASN 261 N -4.28 3.92 -4.43 -0.69 5.03 0.19 -4.81 115.26 110.20 1u0f n ASN 261 Ca -0.00 -3.28 -0.35 0.00 0.87 0.00 0.00 54.58 51.81 1u0f n ASN 261 Cb 0.26 -0.79 -0.13 0.00 -1.02 0.00 0.00 39.78 38.11 1u0f n ASN 261 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1u0f s MET 262 N -2.62 3.60 -0.21 3.52 1.75 -1.16 -1.27 119.30 122.91 1u0f s MET 262 Ca 0.45 -0.52 -0.07 0.00 -1.25 0.00 0.00 55.69 54.30 1u0f s MET 262 Cb 0.38 -3.16 -0.04 0.00 2.84 0.00 0.00 34.83 34.86 1u0f s MET 262 CO 0.08 -0.08 0.07 -0.51 -0.65 0.00 0.00 175.02 173.92 1u0f s LEU 263 N 1.27 3.67 0.24 4.11 1.02 0.00 -4.96 118.68 124.03 1u0f s LEU 263 Ca 0.04 -0.04 -0.04 0.00 0.02 0.00 0.00 54.13 54.11 1u0f s LEU 263 Cb -0.15 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 1u0f s LEU 263 CO 0.02 0.08 0.48 -1.83 0.02 0.00 0.00 176.35 175.12 1u0f s GLU 264 N 0.91 3.61 0.15 1.70 1.03 -1.26 -2.01 118.70 122.82 1u0f s GLU 264 Ca 0.04 -0.10 0.03 0.00 0.03 0.00 0.00 54.97 54.97 1u0f s GLU 264 Cb -0.14 -2.73 -0.01 0.00 -0.80 0.00 0.00 34.13 30.45 1u0f s GLU 264 CO 0.03 0.31 0.12 1.97 -1.33 0.00 0.00 175.26 176.36 1u0f n PHE 265 N -0.67 -0.32 -4.41 4.83 1.16 -1.26 -4.49 117.46 112.30 1u0f n PHE 265 Ca -0.03 -1.23 -0.20 0.00 -1.87 0.00 0.00 57.45 54.12 1u0f n PHE 265 Cb 0.53 0.12 -0.10 0.00 -1.61 0.00 0.00 39.48 38.42 1u0f n PHE 265 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1u0f s TRP 266 N -2.57 1.86 -0.00 2.97 0.51 -1.26 -4.83 118.94 115.62 1u0f s TRP 266 Ca 0.17 -0.78 0.32 0.00 -2.12 0.00 0.00 56.10 53.69 1u0f s TRP 266 Cb 0.01 -1.09 1.37 0.00 -0.81 0.00 0.00 33.47 32.95 1u0f s TRP 266 CO 0.12 0.18 1.94 0.38 -0.51 0.00 0.00 176.95 179.06 1u0f h ASP 267 N 2.31 0.00 -0.09 2.95 -0.00 -2.03 -1.47 116.42 118.08 1u0f h ASP 267 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.63 1u0f h ASP 267 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 1u0f h ASP 267 CO 0.67 0.00 0.00 -2.67 -0.00 0.00 0.00 179.24 177.24 1u0f n TRP 268 N -2.85 0.12 -3.34 4.15 4.27 -1.26 -4.54 117.44 113.99 1u0f n TRP 268 Ca 0.01 -0.06 -0.45 0.00 -3.89 0.00 0.00 57.50 53.10 1u0f n TRP 268 Cb 0.26 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 1u0f n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1u0f s VAL 269 N -1.88 5.21 0.45 -1.67 1.01 -0.55 -1.31 120.40 121.65 1u0f s VAL 269 Ca 0.30 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 1u0f s VAL 269 Cb 0.15 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1u0f s VAL 269 CO 0.24 -0.73 1.24 -0.83 0.00 0.00 0.00 175.10 175.02 1u0f s GLY 270 N 3.10 2.85 0.20 4.51 0.00 -1.26 -4.85 107.32 111.87 1u0f s GLY 270 Ca 0.04 1.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.75 1u0f s GLY 270 CO 0.05 1.62 1.77 -1.33 0.00 0.00 0.00 173.10 175.20 1u0f h GLY 271 N 2.20 0.81 0.48 0.20 0.00 -1.96 -0.12 103.07 104.69 1u0f h GLY 271 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1u0f h GLY 271 CO 0.61 0.05 0.00 -0.96 0.00 0.00 0.00 176.54 176.24 1u0f n ARG 272 N -4.93 0.87 -0.68 4.80 1.85 -1.26 -2.19 116.66 115.11 1u0f n ARG 272 Ca 0.07 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.98 1u0f n ARG 272 Cb 0.21 -1.24 0.12 0.00 -1.05 0.00 0.00 32.46 30.50 1u0f n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u0f n TYR 273 N -0.74 0.00 0.81 2.89 4.02 -0.11 -4.75 117.16 119.27 1u0f n TYR 273 Ca 0.10 -0.97 0.09 0.00 -0.01 0.00 0.00 57.90 57.11 1u0f n TYR 273 Cb 0.05 -0.18 -0.11 0.00 -0.02 0.00 0.00 39.34 39.08 1u0f n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0f n SER 274 N -0.67 0.85 0.33 7.72 3.41 -0.86 -4.47 113.62 119.94 1u0f n SER 274 Ca 0.13 -0.87 0.22 0.00 -0.26 0.00 0.00 58.87 58.09 1u0f n SER 274 Cb 0.79 1.06 1.16 0.00 -0.26 0.00 0.00 64.21 66.97 1u0f n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1u0f h LEU 275 N 0.00 0.00 -0.04 1.04 8.10 -1.84 -0.80 115.31 121.77 1u0f h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1u0f h LEU 275 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1u0f h LEU 275 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 1u0f n TRP 276 N -3.18 0.35 -1.90 0.17 7.02 -1.26 -2.69 117.44 115.94 1u0f n TRP 276 Ca -0.03 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 1u0f n TRP 276 Cb 0.09 -0.67 0.00 0.00 -2.42 0.00 0.00 31.31 28.31 1u0f n TRP 276 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1u0f n SER 277 N -1.79 0.00 -0.34 -0.99 3.41 -0.30 -4.77 113.62 108.83 1u0f n SER 277 Ca 0.06 -0.25 0.35 0.00 -0.26 0.00 0.00 58.87 58.77 1u0f n SER 277 Cb 0.34 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.02 1u0f n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0f h ALA 278 N -0.86 3.03 -0.15 7.33 0.00 -1.81 -1.06 119.26 125.74 1u0f h ALA 278 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1u0f h ALA 278 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u0f h ALA 278 CO 0.00 -1.40 0.15 0.82 0.00 0.00 0.00 179.25 178.82 1u0f h ILE 279 N 0.05 0.56 0.00 0.00 1.08 -1.84 -1.06 117.51 116.31 1u0f h ILE 279 Ca 0.59 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.06 1u0f h ILE 279 Cb 2.25 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1u0f h ILE 279 CO -0.06 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.01 1u0f n GLY 280 N -1.42 -0.85 0.27 5.37 0.00 -0.40 -4.30 105.19 103.86 1u0f n GLY 280 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1u0f n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0f h LEU 281 N 0.00 0.12 -1.49 0.99 5.85 -1.38 -1.01 115.31 118.39 1u0f h LEU 281 Ca 0.00 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1u0f h LEU 281 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1u0f h LEU 281 CO 0.00 0.01 -0.14 0.77 -0.34 0.00 0.00 178.44 178.75 1u0f h SER 282 N 0.33 0.15 0.21 1.25 4.64 -1.86 0.11 113.55 118.39 1u0f h SER 282 Ca 0.42 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1u0f h SER 282 Cb 0.70 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1u0f h SER 282 CO -0.47 0.31 -0.10 0.40 -0.87 0.00 0.00 176.83 176.09 1u0f h ILE 283 N 0.16 0.85 -0.42 0.95 2.04 -1.52 -1.72 117.51 117.84 1u0f h ILE 283 Ca 0.03 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1u0f h ILE 283 Cb 0.34 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1u0f h ILE 283 CO 0.02 0.07 0.10 0.00 0.00 0.00 0.00 178.15 178.35 1u0f h ALA 284 N 0.31 1.40 -0.35 1.87 0.00 -0.74 -0.79 119.26 120.95 1u0f h ALA 284 Ca -0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1u0f h ALA 284 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u0f h ALA 284 CO 0.05 0.44 -0.30 -0.07 0.00 0.00 0.00 179.25 179.37 1u0f h LEU 285 N 0.61 0.78 -0.04 0.00 3.38 -0.79 0.12 115.31 119.36 1u0f h LEU 285 Ca 0.14 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1u0f h LEU 285 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1u0f h LEU 285 CO -0.00 1.02 -0.23 -0.74 0.09 0.00 0.00 178.44 178.57 1u0f h HIS 286 N 0.64 0.31 -0.01 1.13 2.76 -0.45 -3.37 115.15 116.16 1u0f h HIS 286 Ca 0.07 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1u0f h HIS 286 Cb 0.82 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1u0f h HIS 286 CO 0.04 0.87 -0.17 1.33 -1.30 0.00 0.00 177.93 178.70 1u0f n VAL 287 N -4.52 0.00 0.00 5.26 0.24 -0.39 -4.33 118.33 114.60 1u0f n VAL 287 Ca -0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1u0f n VAL 287 Cb 0.46 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 1u0f n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u0f n GLY 288 N 1.00 0.44 0.23 7.63 0.00 0.40 -4.43 105.19 110.46 1u0f n GLY 288 Ca 0.07 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.52 1u0f n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u0f h PHE 289 N 0.00 0.25 -0.48 1.61 3.57 -1.91 -2.39 116.94 117.59 1u0f h PHE 289 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1u0f h PHE 289 Cb 0.00 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1u0f h PHE 289 CO 0.00 0.40 0.26 0.38 -2.23 0.00 0.00 178.31 177.12 1u0f h ASP 290 N 0.22 0.61 -0.01 0.41 -0.00 -1.92 0.93 116.42 116.66 1u0f h ASP 290 Ca 0.04 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.03 56.86 1u0f h ASP 290 Cb 0.43 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 1u0f h ASP 290 CO 0.03 0.54 -0.34 0.45 -0.00 0.00 0.00 179.24 179.91 1u0f h HIS 291 N 0.63 0.56 -0.78 4.15 3.86 -1.73 -1.82 115.15 120.02 1u0f h HIS 291 Ca 0.17 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1u0f h HIS 291 Cb 0.07 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1u0f h HIS 291 CO -0.02 0.77 0.44 0.35 0.86 0.00 0.00 177.93 180.33 1u0f h PHE 292 N 0.41 1.05 -0.66 2.45 3.57 -0.99 -1.49 116.94 121.29 1u0f h PHE 292 Ca 0.05 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1u0f h PHE 292 Cb 0.79 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1u0f h PHE 292 CO 0.03 0.72 0.31 0.93 -2.23 0.00 0.00 178.31 178.07 1u0f h GLU 293 N 1.07 0.93 -0.63 1.11 5.08 -0.50 -1.86 114.58 119.78 1u0f h GLU 293 Ca 0.28 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1u0f h GLU 293 Cb 0.01 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1u0f h GLU 293 CO -0.05 0.72 0.22 1.96 -1.00 0.00 0.00 179.01 180.87 1u0f h GLN 294 N 0.93 0.97 -0.45 2.33 4.20 -0.93 -0.58 115.11 121.58 1u0f h GLN 294 Ca 0.23 -0.20 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1u0f h GLN 294 Cb 0.10 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1u0f h GLN 294 CO -0.03 0.84 0.16 1.25 -0.67 0.00 0.00 178.83 180.38 1u0f h LEU 295 N 0.90 0.16 -0.91 1.46 5.85 -0.83 -0.86 115.31 121.08 1u0f h LEU 295 Ca 0.21 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1u0f h LEU 295 Cb 0.26 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1u0f h LEU 295 CO -0.01 0.12 0.26 -0.07 -0.34 0.00 0.00 178.44 178.41 1u0f h LEU 296 N 0.33 0.98 -0.66 2.25 3.38 -1.06 -2.59 115.31 117.94 1u0f h LEU 296 Ca 0.21 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1u0f h LEU 296 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1u0f h LEU 296 CO -0.22 0.88 -0.37 -1.28 0.09 0.00 0.00 178.44 177.55 1u0f h SER 297 N 1.03 0.66 -0.40 -0.43 0.87 -0.50 -0.66 113.55 114.11 1u0f h SER 297 Ca 0.24 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1u0f h SER 297 Cb 0.23 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1u0f h SER 297 CO -0.02 0.96 0.24 1.23 -0.53 0.00 0.00 176.83 178.71 1u0f h GLY 298 N 1.01 0.59 1.01 5.77 0.00 -1.01 -0.89 103.07 109.56 1u0f h GLY 298 Ca 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1u0f h GLY 298 CO 0.08 0.24 0.51 0.00 0.00 0.00 0.00 176.54 177.37 1u0f h ALA 299 N 1.10 1.06 -0.92 3.60 0.00 -1.21 -2.48 119.26 120.41 1u0f h ALA 299 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u0f h ALA 299 Cb 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1u0f h ALA 299 CO -0.03 0.51 0.54 1.25 0.00 0.00 0.00 179.25 181.52 1u0f h HIS 300 N 1.14 1.22 -0.36 0.00 6.17 -0.73 0.47 115.15 123.05 1u0f h HIS 300 Ca 0.30 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.39 1u0f h HIS 300 Cb -0.06 -0.40 -0.03 0.00 2.52 0.00 0.00 27.41 29.44 1u0f h HIS 300 CO -0.01 0.82 0.19 2.35 0.71 0.00 0.00 177.93 181.99 1u0f h TRP 301 N 1.27 0.34 -0.21 5.26 7.01 -0.85 -1.56 115.95 127.21 1u0f h TRP 301 Ca 0.33 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.24 1u0f h TRP 301 Cb -0.04 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1u0f h TRP 301 CO 0.00 0.19 -0.31 1.98 -2.79 0.00 0.00 178.44 177.51 1u0f h MET 302 N 0.38 0.43 -0.29 2.65 4.05 -0.97 -1.30 114.93 119.87 1u0f h MET 302 Ca 0.15 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1u0f h MET 302 Cb 0.05 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1u0f h MET 302 CO -0.10 0.70 0.12 -0.44 0.23 0.00 0.00 176.91 177.42 1u0f h ASP 303 N 0.37 0.17 -0.65 1.39 3.32 -0.61 -0.64 116.42 119.76 1u0f h ASP 303 Ca 0.05 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1u0f h ASP 303 Cb 0.74 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1u0f h ASP 303 CO 0.06 0.13 0.14 0.06 -1.72 0.00 0.00 179.24 177.91 1u0f h GLN 304 N 0.27 1.06 -0.38 3.56 -0.00 -1.01 -0.41 115.11 118.20 1u0f h GLN 304 Ca 0.13 -0.26 0.06 0.00 -0.00 0.00 0.00 58.65 58.57 1u0f h GLN 304 Cb 0.07 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.48 27.36 1u0f h GLN 304 CO -0.11 0.96 0.09 1.25 -0.00 0.00 0.00 178.83 181.02 1u0f h HIS 305 N 0.98 0.15 -0.64 0.06 2.76 -1.03 -0.53 115.15 116.90 1u0f h HIS 305 Ca 0.20 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1u0f h HIS 305 Cb 0.38 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1u0f h HIS 305 CO 0.03 0.03 0.26 0.35 -1.30 0.00 0.00 177.93 177.30 1u0f h PHE 306 N 0.22 0.96 -0.38 5.26 3.57 -0.86 -2.23 116.94 123.48 1u0f h PHE 306 Ca 0.18 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 1u0f h PHE 306 Cb 0.20 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1u0f h PHE 306 CO -0.18 0.76 -0.35 1.25 -2.23 0.00 0.00 178.31 177.55 1u0f h LEU 307 N 0.89 0.97 0.00 0.59 5.85 -0.78 -3.36 115.31 119.48 1u0f h LEU 307 Ca 0.21 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1u0f h LEU 307 Cb 0.20 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1u0f h LEU 307 CO -0.02 1.23 -1.40 0.29 -0.34 0.00 0.00 178.44 178.20 1u0f n LYS 308 N -4.10 0.41 -3.43 1.25 5.02 -0.23 -4.98 118.16 112.10 1u0f n LYS 308 Ca -0.02 -0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.81 1u0f n LYS 308 Cb 0.53 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 1u0f n LYS 308 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1u0f s THR 309 N -3.17 5.17 0.39 -0.18 2.01 -0.84 -5.05 115.64 113.98 1u0f s THR 309 Ca 0.01 0.81 -0.26 0.00 0.31 0.00 0.00 61.69 62.56 1u0f s THR 309 Cb 0.15 -3.73 -0.11 0.00 0.01 0.00 0.00 72.50 68.81 1u0f s THR 309 CO 0.86 0.42 1.18 -2.65 -0.69 0.00 0.00 174.62 173.74 1u0f n PRO 310 N 3.09 1.76 -0.33 4.92 -0.02 -1.26 -4.75 135.00 138.41 1u0f n PRO 310 Ca -0.10 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1u0f n PRO 310 Cb 0.52 -2.24 0.34 0.00 -0.02 0.00 0.00 33.50 32.10 1u0f n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u0f h LEU 311 N 2.02 0.75 -0.24 2.45 3.38 -1.96 -2.13 115.31 119.57 1u0f h LEU 311 Ca -0.46 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1u0f h LEU 311 Cb 1.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1u0f h LEU 311 CO 0.60 0.32 0.00 -1.84 0.09 0.00 0.00 178.44 177.60 1u0f n GLU 312 N -4.66 0.06 -1.19 1.13 0.00 -1.26 -2.37 120.64 112.34 1u0f n GLU 312 Ca 0.21 0.34 0.05 0.00 0.00 0.00 0.00 57.16 57.75 1u0f n GLU 312 Cb 0.53 -1.62 0.08 0.00 0.00 0.00 0.00 31.44 30.44 1u0f n GLU 312 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1u0f n LYS 313 N -1.72 0.51 -3.58 3.44 2.85 -0.81 -5.03 118.16 113.82 1u0f n LYS 313 Ca 0.03 -2.41 -0.41 0.00 -1.05 0.00 0.00 58.31 54.47 1u0f n LYS 313 Cb 0.16 -0.53 -0.10 0.00 -0.65 0.00 0.00 35.03 33.91 1u0f n LYS 313 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1u0f s ASN 314 N -2.38 5.73 0.13 -5.58 3.84 -1.00 -4.90 114.94 110.78 1u0f s ASN 314 Ca 0.35 -1.21 -0.29 0.00 0.21 0.00 0.00 52.86 51.92 1u0f s ASN 314 Cb 0.38 -2.02 -0.06 0.00 -0.55 0.00 0.00 41.25 38.99 1u0f s ASN 314 CO -0.13 -0.46 1.59 0.00 -2.79 0.00 0.00 177.10 175.30 1u0f h ALA 315 N 8.45 -0.60 -0.11 1.71 0.00 -1.92 -0.65 119.26 126.15 1u0f h ALA 315 Ca -0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1u0f h ALA 315 Cb 1.10 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1u0f h ALA 315 CO 0.72 -0.92 -0.08 -1.00 0.00 0.00 0.00 179.25 177.97 1u0f h PRO 316 N -0.52 0.16 -0.18 0.00 0.13 -1.94 -1.54 132.00 128.11 1u0f h PRO 316 Ca 0.06 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1u0f h PRO 316 Cb 0.63 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1u0f h PRO 316 CO -0.35 0.25 0.01 0.28 -0.23 0.00 0.00 178.00 177.96 1u0f h VAL 317 N 0.16 1.24 -0.61 1.56 2.07 -1.65 -1.90 116.25 117.13 1u0f h VAL 317 Ca 0.03 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1u0f h VAL 317 Cb 0.25 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1u0f h VAL 317 CO 0.01 0.25 0.31 -0.07 0.02 0.00 0.00 177.57 178.09 1u0f h LEU 318 N 0.07 0.78 -0.87 2.57 3.38 -0.81 0.60 115.31 121.03 1u0f h LEU 318 Ca 0.05 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1u0f h LEU 318 Cb 0.36 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1u0f h LEU 318 CO 0.01 0.67 0.57 -0.07 0.09 0.00 0.00 178.44 179.71 1u0f h LEU 319 N 0.82 0.99 -0.48 1.67 3.38 -1.30 -1.00 115.31 119.40 1u0f h LEU 319 Ca 0.21 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1u0f h LEU 319 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1u0f h LEU 319 CO -0.03 0.72 0.19 0.00 0.09 0.00 0.00 178.44 179.41 1u0f h ALA 320 N 1.32 0.63 -0.45 1.53 0.00 -0.84 -2.21 119.26 119.24 1u0f h ALA 320 Ca 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1u0f h ALA 320 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1u0f h ALA 320 CO -0.07 0.24 0.13 -0.07 0.00 0.00 0.00 179.25 179.48 1u0f h LEU 321 N 0.64 0.65 -0.92 0.00 3.38 -0.47 -1.12 115.31 117.48 1u0f h LEU 321 Ca 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1u0f h LEU 321 Cb 0.20 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1u0f h LEU 321 CO -0.01 0.69 0.60 -0.07 0.09 0.00 0.00 178.44 179.74 1u0f h LEU 322 N 0.58 1.02 -0.49 1.67 3.38 -1.15 -1.74 115.31 118.58 1u0f h LEU 322 Ca 0.14 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1u0f h LEU 322 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1u0f h LEU 322 CO -0.00 0.72 0.29 1.23 0.09 0.00 0.00 178.44 180.77 1u0f h GLY 323 N 1.20 0.69 0.83 0.83 0.00 -1.00 -2.00 103.07 103.62 1u0f h GLY 323 Ca 0.35 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1u0f h GLY 323 CO -0.10 0.18 0.48 -2.22 0.00 0.00 0.00 176.54 174.89 1u0f h ILE 324 N 0.58 1.09 -0.30 2.60 1.08 -0.73 0.67 117.51 122.50 1u0f h ILE 324 Ca 0.20 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 1u0f h ILE 324 Cb 0.02 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 1u0f h ILE 324 CO -0.09 0.17 0.15 -0.25 -0.69 0.00 0.00 178.15 177.43 1u0f h TRP 325 N 0.92 0.27 -0.13 1.37 -0.00 -1.04 0.20 115.95 117.55 1u0f h TRP 325 Ca 0.31 0.01 -0.18 0.00 -0.00 0.00 0.00 58.89 59.03 1u0f h TRP 325 Cb 0.05 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.13 1u0f h TRP 325 CO -0.04 0.15 -0.68 1.88 -0.00 0.00 0.00 178.44 179.75 1u0f h TYR 326 N 0.31 0.71 0.15 2.65 0.05 -1.01 -2.16 116.97 117.67 1u0f h TYR 326 Ca 0.13 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1u0f h TYR 326 Cb 0.05 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1u0f h TYR 326 CO -0.10 1.06 -0.07 0.82 -1.05 0.00 0.00 178.16 178.82 1u0f h ILE 327 N 0.38 0.83 0.00 -2.88 2.04 -0.74 -0.37 117.51 116.78 1u0f h ILE 327 Ca -0.02 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1u0f h ILE 327 Cb 1.26 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1u0f h ILE 327 CO 0.13 0.22 -0.96 0.59 0.00 0.00 0.00 178.15 178.13 1u0f n ASN 328 N -4.90 0.63 -0.08 1.72 4.13 0.69 -2.52 115.26 114.93 1u0f n ASN 328 Ca -0.07 -0.12 -0.14 0.00 1.68 0.00 0.00 54.58 55.93 1u0f n ASN 328 Cb 0.26 0.68 -0.06 0.00 -1.54 0.00 0.00 39.78 39.12 1u0f n ASN 328 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u0f h TYR 330 N -0.35 0.00 -0.31 0.00 -1.99 -1.34 -3.49 116.97 109.49 1u0f h TYR 330 Ca -0.37 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.28 1u0f h TYR 330 Cb 1.41 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.11 1u0f h TYR 330 CO -0.02 0.00 -0.09 0.41 -0.00 0.00 0.00 178.16 178.46 1u0f n GLY 331 N 1.23 0.55 3.68 3.88 0.00 -0.38 -4.98 105.19 109.17 1u0f n GLY 331 Ca 0.02 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1u0f n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0f h GLU 333 N 8.27 0.00 -5.68 0.00 5.08 -1.89 -3.40 114.58 116.96 1u0f h GLU 333 Ca -0.35 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.49 1u0f h GLU 333 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1u0f h GLU 333 CO 0.93 0.47 -0.70 0.95 -1.00 0.00 0.00 179.01 179.65 1u0f s THR 334 N -3.53 1.87 -0.04 1.13 -4.23 -1.26 -1.09 115.64 108.48 1u0f s THR 334 Ca 0.00 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.30 1u0f s THR 334 Cb 0.11 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.63 1u0f s THR 334 CO 0.71 -0.38 0.05 -2.28 -0.54 0.00 0.00 174.62 172.19 1u0f s HIS 335 N -2.88 0.14 -0.17 3.99 2.46 0.00 -4.25 115.29 114.59 1u0f s HIS 335 Ca 0.28 0.18 -0.09 0.00 0.47 0.00 0.00 55.06 55.90 1u0f s HIS 335 Cb 0.01 -0.48 -0.05 0.00 -0.13 0.00 0.00 32.58 31.93 1u0f s HIS 335 CO 0.12 -0.19 0.14 0.00 -2.47 0.00 0.00 174.74 172.34 1u0f s ALA 336 N 1.95 3.74 -0.26 1.58 0.00 -0.65 -2.32 121.76 125.80 1u0f s ALA 336 Ca 0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 1u0f s ALA 336 Cb -0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1u0f s ALA 336 CO -0.03 0.30 0.04 -0.51 0.00 0.00 0.00 175.76 175.56 1u0f s LEU 337 N -0.07 3.46 -0.58 0.00 1.02 -0.11 -0.72 118.68 121.68 1u0f s LEU 337 Ca 0.11 -0.45 0.04 0.00 0.02 0.00 0.00 54.13 53.85 1u0f s LEU 337 Cb -0.11 -1.86 0.16 0.00 0.02 0.00 0.00 46.19 44.40 1u0f s LEU 337 CO 0.00 -0.09 0.41 -0.76 0.02 0.00 0.00 176.35 175.93 1u0f s LEU 338 N 1.53 3.51 -0.03 1.79 1.43 0.05 -3.97 118.68 122.99 1u0f s LEU 338 Ca 0.05 -3.45 -0.29 0.00 -1.03 0.00 0.00 54.13 49.41 1u0f s LEU 338 Cb -0.16 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1u0f s LEU 338 CO 0.01 -0.14 0.94 -2.16 0.23 0.00 0.00 176.35 175.24 1u0f s PRO 339 N -0.75 4.52 -1.34 1.29 0.04 -1.26 -2.31 135.00 135.19 1u0f s PRO 339 Ca 0.26 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 1u0f s PRO 339 Cb -0.05 -3.47 0.12 0.00 0.04 0.00 0.00 34.50 31.14 1u0f s PRO 339 CO -0.15 -0.08 2.18 0.66 0.04 0.00 0.00 177.00 179.65 1u0f n TYR 340 N 4.07 2.79 -3.27 0.56 4.02 0.16 -1.40 117.16 124.09 1u0f n TYR 340 Ca 0.05 -2.84 0.03 0.00 -0.01 0.00 0.00 57.90 55.14 1u0f n TYR 340 Cb 0.51 -1.98 -0.02 0.00 -0.02 0.00 0.00 39.34 37.82 1u0f n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1u0f s ASP 341 N 0.90 -0.95 0.32 7.72 2.15 -1.24 -4.70 116.67 120.86 1u0f s ASP 341 Ca 0.48 0.81 0.02 0.00 0.43 0.00 0.00 52.55 54.29 1u0f s ASP 341 Cb 0.14 1.89 0.53 0.00 -0.30 0.00 0.00 42.92 45.18 1u0f s ASP 341 CO -0.04 -0.18 1.88 -0.61 -0.17 0.00 0.00 175.17 176.05 1u0f h GLN 342 N 7.91 0.71 -0.02 4.34 5.75 -1.86 -2.16 115.11 129.79 1u0f h GLN 342 Ca -0.18 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 1u0f h GLN 342 Cb 1.15 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.58 1u0f h GLN 342 CO 0.11 0.63 -0.03 1.88 -2.65 0.00 0.00 178.83 178.77 1u0f h TYR 343 N 0.69 0.02 -0.12 3.99 0.99 -1.91 -2.10 116.97 118.53 1u0f h TYR 343 Ca 0.16 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 1u0f h TYR 343 Cb 0.22 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 1u0f h TYR 343 CO 0.01 0.05 0.03 -1.33 -0.00 0.00 0.00 178.16 176.93 1u0f n MET 344 N -4.49 1.58 0.22 4.88 2.81 -0.81 -2.66 117.12 118.65 1u0f n MET 344 Ca -0.03 -0.56 0.15 0.00 -1.81 0.00 0.00 57.70 55.46 1u0f n MET 344 Cb 0.12 -1.53 0.75 0.00 -0.71 0.00 0.00 33.22 31.85 1u0f n MET 344 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1u0f h HIS 345 N 0.58 0.00 -0.42 2.03 2.07 -1.46 -1.76 115.15 116.18 1u0f h HIS 345 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1u0f h HIS 345 Cb 0.91 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.89 1u0f h HIS 345 CO 0.22 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.62 1u0f n ARG 346 N -2.61 2.66 -0.06 5.12 5.12 -1.26 -4.66 116.66 120.96 1u0f n ARG 346 Ca -0.01 -2.16 -0.10 0.00 -1.93 0.00 0.00 57.85 53.65 1u0f n ARG 346 Cb 0.14 -1.35 -0.04 0.00 -1.16 0.00 0.00 32.46 30.05 1u0f n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1u0f h PHE 347 N 2.74 0.33 -0.46 -1.55 3.57 -1.66 -1.94 116.94 117.97 1u0f h PHE 347 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1u0f h PHE 347 Cb 0.79 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1u0f h PHE 347 CO 0.28 0.32 0.21 0.00 -2.23 0.00 0.00 178.31 176.89 1u0f h ALA 348 N 0.98 0.60 -0.87 2.41 0.00 -1.83 -2.38 119.26 118.17 1u0f h ALA 348 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1u0f h ALA 348 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1u0f h ALA 348 CO -0.01 0.18 0.57 0.00 0.00 0.00 0.00 179.25 179.99 1u0f h ALA 349 N 1.05 1.38 -0.38 0.00 0.00 -1.85 -0.96 119.26 118.50 1u0f h ALA 349 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1u0f h ALA 349 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1u0f h ALA 349 CO -0.02 0.58 0.22 -0.92 0.00 0.00 0.00 179.25 179.11 1u0f h TYR 350 N 1.18 0.51 0.00 0.00 3.20 -1.09 -2.83 116.97 117.94 1u0f h TYR 350 Ca 0.32 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1u0f h TYR 350 Cb -0.13 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 37.97 1u0f h TYR 350 CO 0.00 0.38 0.00 1.19 -1.64 0.00 0.00 178.16 178.09 1u0f n PHE 351 N -4.77 0.17 -0.10 -3.82 3.01 -0.91 -1.75 117.46 109.30 1u0f n PHE 351 Ca -0.00 0.05 -0.07 0.00 1.01 0.00 0.00 57.45 58.44 1u0f n PHE 351 Cb 0.07 -0.59 0.01 0.00 -0.01 0.00 0.00 39.48 38.96 1u0f n PHE 351 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1u0f h GLN 352 N 0.00 0.27 0.05 -1.08 4.20 -0.93 0.12 115.11 117.74 1u0f h GLN 352 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1u0f h GLN 352 Cb 0.48 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1u0f h GLN 352 CO 0.00 0.18 -0.02 0.37 -0.67 0.00 0.00 178.83 178.68 1u0f h GLN 353 N 0.28 -0.07 -0.54 1.46 4.15 -1.49 -0.70 115.11 118.20 1u0f h GLN 353 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.65 1u0f h GLN 353 Cb 0.12 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 1u0f h GLN 353 CO -0.15 0.38 0.19 0.78 -1.93 0.00 0.00 178.83 178.11 1u0f h GLY 354 N -0.54 0.73 0.00 2.39 0.00 -1.27 -1.54 103.07 102.84 1u0f h GLY 354 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1u0f h GLY 354 CO 0.01 0.00 -0.24 -1.80 0.00 0.00 0.00 176.54 174.51 1u0f h ASP 355 N 0.38 0.00 -0.15 0.19 1.82 -0.87 -3.30 116.42 114.48 1u0f h ASP 355 Ca 0.26 -0.35 -0.15 0.00 -0.39 0.00 0.00 57.03 56.40 1u0f h ASP 355 Cb 0.29 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1u0f h ASP 355 CO -0.26 0.81 -0.42 0.24 -1.61 0.00 0.00 179.24 178.00 1u0f h MET 356 N -1.00 0.70 0.00 0.28 2.86 -1.12 0.80 114.93 117.45 1u0f h MET 356 Ca -0.04 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 1u0f h MET 356 Cb 0.54 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1u0f h MET 356 CO -0.03 0.98 -0.42 1.49 1.06 0.00 0.00 176.91 180.00 1u0f h GLU 357 N 0.57 0.00 0.14 1.72 4.81 -1.36 -0.50 114.58 119.97 1u0f h GLU 357 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1u0f h GLU 357 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1u0f h GLU 357 CO 0.09 0.42 -0.07 0.77 -0.73 0.00 0.00 179.01 179.49 1u0f h SER 358 N 0.00 -0.16 -0.20 1.04 0.02 -1.57 -3.41 113.55 109.27 1u0f h SER 358 Ca -0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1u0f h SER 358 Cb 1.21 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1u0f h SER 358 CO 0.05 0.41 0.00 0.59 -1.14 0.00 0.00 176.83 176.74 1u0f n ASN 359 N -4.90 2.52 -3.98 3.07 3.02 0.25 -4.17 115.26 111.06 1u0f n ASN 359 Ca -0.08 -1.76 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 1u0f n ASN 359 Cb 0.27 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1u0f n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u0f n GLY 360 N 0.62 3.77 3.17 7.41 0.00 -0.20 -1.71 105.19 118.26 1u0f n GLY 360 Ca 0.10 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1u0f n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0f s LYS 361 N 3.61 0.85 0.00 1.61 -0.14 -1.26 -4.97 119.74 119.45 1u0f s LYS 361 Ca 0.50 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1u0f s LYS 361 Cb 0.11 -0.17 0.00 0.00 -1.68 0.00 0.00 37.83 36.09 1u0f s LYS 361 CO -0.03 -0.04 0.00 2.48 -0.76 0.00 0.00 175.35 177.00 1u0f n TYR 362 N -0.06 0.00 -4.48 3.18 0.18 -1.26 -4.73 117.16 110.00 1u0f n TYR 362 Ca -0.11 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.33 1u0f n TYR 362 Cb 0.61 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.45 1u0f n TYR 362 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1u0f s ILE 363 N 0.00 3.76 0.70 -3.48 -1.09 -1.26 -1.02 121.20 118.80 1u0f s ILE 363 Ca 0.00 -0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1u0f s ILE 363 Cb 0.00 -2.63 0.08 0.00 -1.58 0.00 0.00 42.46 38.33 1u0f s ILE 363 CO 0.00 0.51 0.98 0.42 -1.23 0.00 0.00 174.94 175.62 1u0f s THR 364 N 0.27 2.31 0.43 2.92 -4.23 -0.10 -4.51 115.64 112.73 1u0f s THR 364 Ca -0.04 -0.40 0.21 0.00 -1.18 0.00 0.00 61.69 60.28 1u0f s THR 364 Cb -0.14 -2.91 0.42 0.00 1.34 0.00 0.00 72.50 71.20 1u0f s THR 364 CO 0.03 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.42 1u0f h LYS 365 N -0.53 0.31 0.00 3.99 3.64 -1.45 0.83 116.57 123.36 1u0f h LYS 365 Ca -0.42 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1u0f h LYS 365 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1u0f h LYS 365 CO 0.53 0.20 0.00 -1.13 -2.27 0.00 0.00 179.45 176.78 1u0f n SER 366 N -4.51 0.46 0.00 4.20 3.41 -1.26 -4.91 113.62 111.00 1u0f n SER 366 Ca 0.23 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1u0f n SER 366 Cb 0.88 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1u0f n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0f n GLY 367 N 1.26 0.59 3.79 5.00 0.00 0.29 -5.07 105.19 111.05 1u0f n GLY 367 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1u0f n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0f s ALA 368 N -2.24 2.76 0.16 4.61 0.00 -1.26 -4.71 121.76 121.09 1u0f s ALA 368 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 1u0f s ALA 368 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1u0f s ALA 368 CO 0.00 -0.62 0.94 0.50 0.00 0.00 0.00 175.76 176.59 1u0f s ARG 369 N -3.48 4.75 0.50 0.00 3.52 -1.26 -0.93 118.95 122.05 1u0f s ARG 369 Ca 0.68 1.45 -0.23 0.00 -0.13 0.00 0.00 55.73 57.49 1u0f s ARG 369 Cb -0.19 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 1u0f s ARG 369 CO 0.27 0.34 1.40 0.14 -0.81 0.00 0.00 175.30 176.63 1u0f s VAL 370 N -0.46 2.05 -0.28 7.11 -7.23 -0.19 -4.56 120.40 116.83 1u0f s VAL 370 Ca 0.44 0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.73 1u0f s VAL 370 Cb -0.24 -3.02 0.45 0.00 0.56 0.00 0.00 36.38 34.13 1u0f s VAL 370 CO 0.30 0.00 1.27 -0.90 -0.31 0.00 0.00 175.10 175.47 1u0f n ASP 371 N -0.63 3.77 -3.85 4.85 5.75 -1.26 -5.01 116.55 120.17 1u0f n ASP 371 Ca 0.08 -3.81 -0.09 0.00 -0.01 0.00 0.00 54.79 50.96 1u0f n ASP 371 Cb 0.43 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 40.02 1u0f n ASP 371 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1u0f s HIS 372 N -3.46 0.06 0.52 2.11 -3.43 -1.26 -5.03 115.29 104.80 1u0f s HIS 372 Ca 0.47 -0.43 -0.20 0.00 -0.80 0.00 0.00 55.06 54.11 1u0f s HIS 372 Cb 0.40 0.32 -0.07 0.00 -1.43 0.00 0.00 32.58 31.80 1u0f s HIS 372 CO -0.00 -0.95 1.08 -0.65 -2.00 0.00 0.00 174.74 172.22 1u0f s GLN 373 N -3.93 3.55 0.00 -0.38 -1.52 -1.26 -5.07 119.66 111.06 1u0f s GLN 373 Ca 0.14 1.47 0.00 0.00 -1.95 0.00 0.00 55.36 55.01 1u0f s GLN 373 Cb -0.01 -2.05 0.00 0.00 -0.22 0.00 0.00 33.01 30.73 1u0f s GLN 373 CO 0.02 -0.65 0.00 0.25 -0.25 0.00 0.00 175.29 174.65 1u0f n THR 374 N -1.20 0.00 -1.67 -0.19 -2.24 -1.26 -4.91 114.28 102.81 1u0f n THR 374 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1u0f n THR 374 Cb 0.52 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1u0f n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0f n GLY 375 N 5.00 0.29 3.91 3.38 0.00 -0.69 -4.99 105.19 112.08 1u0f n GLY 375 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1u0f n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u0f s PRO 376 N -2.18 2.81 -0.17 1.61 0.04 -1.26 -4.81 135.00 131.04 1u0f s PRO 376 Ca 0.62 0.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1u0f s PRO 376 Cb -0.52 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.85 1u0f s PRO 376 CO 0.57 -0.89 1.11 0.42 0.04 0.00 0.00 177.00 178.25 1u0f s ILE 377 N -3.16 4.55 -0.14 0.56 1.01 -0.25 -4.67 121.20 119.09 1u0f s ILE 377 Ca 0.56 1.86 -0.08 0.00 0.00 0.00 0.00 60.65 62.99 1u0f s ILE 377 Cb -0.11 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1u0f s ILE 377 CO 0.48 -0.12 0.14 -0.69 0.00 0.00 0.00 174.94 174.75 1u0f s VAL 378 N 2.96 5.47 0.27 2.92 1.01 -1.26 -0.82 120.40 130.95 1u0f s VAL 378 Ca 0.49 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 1u0f s VAL 378 Cb -0.18 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1u0f s VAL 378 CO 0.12 0.58 0.62 -1.66 0.00 0.00 0.00 175.10 174.76 1u0f s TRP 379 N -0.69 0.04 0.00 5.22 1.48 -0.98 -4.79 118.94 119.22 1u0f s TRP 379 Ca 0.13 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 1u0f s TRP 379 Cb -0.12 0.50 0.00 0.00 -1.16 0.00 0.00 33.47 32.69 1u0f s TRP 379 CO 0.03 -1.14 0.00 0.41 -4.06 0.00 0.00 176.95 172.18 1u0f n GLY 380 N -0.43 2.90 3.15 3.67 0.00 -1.26 -0.93 105.19 112.28 1u0f n GLY 380 Ca -0.03 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1u0f n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u0f s GLU 381 N -2.10 0.78 0.51 1.61 0.41 -1.25 -4.85 118.70 113.80 1u0f s GLU 381 Ca 0.00 -1.20 -0.22 0.00 -0.41 0.00 0.00 54.97 53.14 1u0f s GLU 381 Cb 0.00 -0.29 -0.06 0.00 -1.78 0.00 0.00 34.13 32.00 1u0f s GLU 381 CO 0.00 0.01 1.28 -1.25 -0.49 0.00 0.00 175.26 174.81 1u0f s PRO 382 N -3.22 3.40 0.38 0.39 0.04 -1.26 -4.35 135.00 130.38 1u0f s PRO 382 Ca 0.07 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 1u0f s PRO 382 Cb 0.01 -2.32 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1u0f s PRO 382 CO -0.03 -0.92 0.91 0.20 0.04 0.00 0.00 177.00 177.20 1u0f s GLY 383 N -1.12 2.49 0.00 0.56 0.00 -0.49 -2.27 107.32 106.48 1u0f s GLY 383 Ca 0.68 0.37 0.29 0.00 0.00 0.00 0.00 44.72 46.07 1u0f s GLY 383 CO 0.42 0.69 1.90 -1.30 0.00 0.00 0.00 173.10 174.80 1u0f n THR 384 N -0.26 0.00 -0.24 0.90 -2.24 -1.26 -3.71 114.28 107.47 1u0f n THR 384 Ca 0.05 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1u0f n THR 384 Cb 0.53 0.19 0.16 0.00 -2.10 0.00 0.00 70.33 69.10 1u0f n THR 384 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u0f h ASN 385 N 1.61 0.22 -0.50 3.42 2.35 -1.82 -1.06 115.58 119.81 1u0f h ASN 385 Ca 0.00 0.10 0.10 0.00 -0.55 0.00 0.00 56.30 55.95 1u0f h ASN 385 Cb 0.34 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1u0f h ASN 385 CO 0.00 0.10 0.34 1.23 -1.65 0.00 0.00 177.43 177.45 1u0f h GLY 386 N 0.41 0.35 1.04 2.83 0.00 -1.73 -0.42 103.07 105.55 1u0f h GLY 386 Ca 0.37 -0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.72 1u0f h GLY 386 CO -0.38 0.06 0.37 1.46 0.00 0.00 0.00 176.54 178.05 1u0f h GLN 387 N 0.25 0.17 -0.74 4.80 4.20 -1.50 -0.97 115.11 121.32 1u0f h GLN 387 Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1u0f h GLN 387 Cb 0.59 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1u0f h GLN 387 CO -0.05 0.12 0.00 0.72 -0.67 0.00 0.00 178.83 178.95 1u0f n HIS 388 N -4.43 0.99 0.03 2.96 8.25 -0.18 -4.27 115.22 118.58 1u0f n HIS 388 Ca 0.09 -0.50 -0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1u0f n HIS 388 Cb 0.48 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 1u0f n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u0f n ALA 389 N 1.67 2.96 -0.14 -1.41 0.00 -0.49 -4.99 120.51 118.11 1u0f n ALA 389 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1u0f n ALA 389 Cb 0.63 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1u0f n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1u0f n PHE 390 N -3.10 0.00 0.30 0.00 1.16 -0.50 -4.72 117.46 110.59 1u0f n PHE 390 Ca -0.00 0.00 0.19 0.00 -1.87 0.00 0.00 57.45 55.76 1u0f n PHE 390 Cb 0.00 0.00 0.86 0.00 -1.61 0.00 0.00 39.48 38.73 1u0f n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1u0f h TYR 391 N 0.00 0.00 -0.77 2.97 -1.99 -1.67 -1.23 116.97 114.28 1u0f h TYR 391 Ca 0.00 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.89 1u0f h TYR 391 Cb 0.07 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.69 1u0f h TYR 391 CO 0.00 0.02 0.26 0.37 -0.00 0.00 0.00 178.16 178.81 1u0f h GLN 392 N 0.00 0.35 -0.04 4.88 5.75 -1.84 0.01 115.11 124.21 1u0f h GLN 392 Ca -0.00 -0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 58.27 1u0f h GLN 392 Cb 0.34 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1u0f h GLN 392 CO 0.00 0.23 -0.85 1.25 -2.65 0.00 0.00 178.83 176.82 1u0f h LEU 393 N 0.36 0.55 -0.92 -2.39 6.46 -1.58 -0.65 115.31 117.14 1u0f h LEU 393 Ca 0.44 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1u0f h LEU 393 Cb 0.73 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 1u0f h LEU 393 CO -0.47 1.18 0.51 0.40 -0.62 0.00 0.00 178.44 179.44 1u0f h ILE 394 N 0.28 1.26 0.18 4.05 2.04 -1.25 -0.06 117.51 124.01 1u0f h ILE 394 Ca -0.06 -0.63 -0.30 0.00 1.00 0.00 0.00 64.86 64.87 1u0f h ILE 394 Cb 1.46 0.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1u0f h ILE 394 CO 0.15 0.29 -1.36 0.45 0.00 0.00 0.00 178.15 177.68 1u0f h HIS 395 N 1.28 0.68 0.00 1.37 3.86 -0.91 -3.41 115.15 118.01 1u0f h HIS 395 Ca 0.32 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1u0f h HIS 395 Cb 0.01 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1u0f h HIS 395 CO 0.01 1.40 -0.18 1.04 0.86 0.00 0.00 177.93 181.06 1u0f n GLN 396 N -3.60 0.40 0.00 2.45 6.02 -0.26 -4.62 117.38 117.77 1u0f n GLN 396 Ca -0.12 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 1u0f n GLN 396 Cb 1.06 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.69 1u0f n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u0f n GLY 397 N -0.16 0.42 0.19 1.08 0.00 -0.04 -4.94 105.19 101.74 1u0f n GLY 397 Ca 0.01 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.36 1u0f n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u0f n THR 398 N 0.00 1.77 -4.84 2.61 -2.24 -1.26 -5.01 114.28 105.31 1u0f n THR 398 Ca 0.00 -1.97 -0.33 0.00 -2.27 0.00 0.00 64.05 59.48 1u0f n THR 398 Cb 0.00 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 1u0f n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u0f s LYS 399 N -2.51 2.58 -0.20 -0.78 3.01 -1.26 -5.10 119.74 115.48 1u0f s LYS 399 Ca 0.28 -0.67 -0.19 0.00 -1.01 0.00 0.00 55.97 54.38 1u0f s LYS 399 Cb 0.24 -2.42 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 1u0f s LYS 399 CO 0.04 0.62 0.55 1.41 0.51 0.00 0.00 175.35 178.48 1u0f s MET 400 N -0.71 4.20 -0.34 1.68 -2.45 -1.26 -4.94 119.30 115.49 1u0f s MET 400 Ca 0.11 0.48 -0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1u0f s MET 400 Cb -0.11 -3.56 0.11 0.00 1.25 0.00 0.00 34.83 32.52 1u0f s MET 400 CO 0.01 -0.17 0.14 0.42 1.05 0.00 0.00 175.02 176.47 1u0f s ILE 401 N 1.69 0.83 0.24 10.11 1.01 -1.26 -4.70 121.20 129.12 1u0f s ILE 401 Ca 0.26 -1.61 -0.31 0.00 0.00 0.00 0.00 60.65 58.98 1u0f s ILE 401 Cb -0.16 -1.62 -0.12 0.00 0.01 0.00 0.00 42.46 40.57 1u0f s ILE 401 CO 0.10 -0.76 1.67 -2.65 0.00 0.00 0.00 174.94 173.31 1u0f n PRO 402 N 4.54 2.73 -5.01 2.79 -0.02 -1.26 -4.82 135.00 133.95 1u0f n PRO 402 Ca 0.01 0.98 -0.28 0.00 -2.02 0.00 0.00 63.50 62.19 1u0f n PRO 402 Cb 0.40 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 30.92 1u0f n PRO 402 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u0f s ASP 404 N -0.14 5.94 -0.21 0.00 1.01 0.10 -1.39 116.67 121.98 1u0f s ASP 404 Ca -0.01 -0.23 -0.14 0.00 0.71 0.00 0.00 52.55 52.88 1u0f s ASP 404 Cb -0.11 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1u0f s ASP 404 CO 0.02 -0.14 0.32 -0.36 0.21 0.00 0.00 175.17 175.22 1u0f s PHE 405 N 1.72 3.37 0.00 4.23 0.40 -0.07 -0.77 117.98 126.86 1u0f s PHE 405 Ca 0.06 0.51 0.07 0.00 -0.60 0.00 0.00 56.93 56.97 1u0f s PHE 405 Cb -0.17 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 1u0f s PHE 405 CO 0.10 0.05 -0.21 -0.51 0.70 0.00 0.00 175.22 175.35 1u0f s LEU 406 N 1.11 2.08 -0.19 -0.37 1.02 -0.98 -0.30 118.68 121.05 1u0f s LEU 406 Ca 0.16 -0.43 -0.24 0.00 0.02 0.00 0.00 54.13 53.64 1u0f s LEU 406 Cb -0.14 -1.07 0.06 0.00 0.02 0.00 0.00 46.19 45.06 1u0f s LEU 406 CO 0.06 0.24 0.64 -0.51 0.02 0.00 0.00 176.35 176.80 1u0f s ILE 407 N -0.58 0.00 0.23 -0.59 2.07 -0.67 0.35 121.20 122.01 1u0f s ILE 407 Ca 0.08 -0.02 -0.25 0.00 -1.41 0.00 0.00 60.65 59.05 1u0f s ILE 407 Cb -0.08 -0.92 -0.09 0.00 0.13 0.00 0.00 42.46 41.50 1u0f s ILE 407 CO -0.00 -0.01 0.84 -2.16 -1.91 0.00 0.00 174.94 171.69 1u0f s PRO 408 N -0.10 4.57 0.13 3.50 0.04 -1.26 -2.06 135.00 139.81 1u0f s PRO 408 Ca -0.03 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 1u0f s PRO 408 Cb -0.04 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1u0f s PRO 408 CO 0.03 0.46 1.53 0.28 0.04 0.00 0.00 177.00 179.35 1u0f h VAL 409 N 3.02 1.28 -3.27 -0.36 2.07 -0.53 -3.43 116.25 115.03 1u0f h VAL 409 Ca -0.47 -1.20 -0.60 0.00 0.82 0.00 0.00 66.70 65.25 1u0f h VAL 409 Cb 1.20 1.22 -0.13 0.00 -1.52 0.00 0.00 31.29 32.05 1u0f h VAL 409 CO 0.66 0.40 -0.51 -1.10 0.02 0.00 0.00 177.57 177.04 1u0f s GLN 410 N -4.78 4.13 0.31 1.57 -0.21 -0.19 -5.03 119.66 115.47 1u0f s GLN 410 Ca -0.12 -0.25 -0.12 0.00 0.02 0.00 0.00 55.36 54.89 1u0f s GLN 410 Cb 0.10 -3.37 -0.08 0.00 1.00 0.00 0.00 33.01 30.67 1u0f s GLN 410 CO 0.82 0.30 0.68 -0.08 -2.12 0.00 0.00 175.29 174.89 1u0f s THR 411 N 0.35 4.80 -0.40 -0.19 -1.32 -1.26 -4.49 115.64 113.12 1u0f s THR 411 Ca 0.07 0.69 0.26 0.00 -1.21 0.00 0.00 61.69 61.49 1u0f s THR 411 Cb -0.11 -3.64 0.28 0.00 -1.51 0.00 0.00 72.50 67.52 1u0f s THR 411 CO -0.01 -0.23 1.77 1.56 -2.21 0.00 0.00 174.62 175.50 1u0f h GLN 412 N 2.10 0.00 -2.28 7.08 1.08 -1.98 -3.39 115.11 117.72 1u0f h GLN 412 Ca -0.47 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.14 1u0f h GLN 412 Cb 1.18 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.21 1u0f h GLN 412 CO 0.66 0.00 -0.94 0.72 -0.95 0.00 0.00 178.83 178.32 1u0f n HIS 413 N -2.44 0.30 -1.08 2.96 8.25 -1.26 -5.02 115.22 116.93 1u0f n HIS 413 Ca 0.02 -3.62 -0.22 0.00 -0.26 0.00 0.00 57.72 53.64 1u0f n HIS 413 Cb 0.28 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 1u0f n HIS 413 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1u0f n PRO 414 N 1.95 2.59 -0.98 -0.41 -0.04 -1.26 -4.91 135.00 131.94 1u0f n PRO 414 Ca 0.25 -1.44 -0.31 0.00 -0.04 0.00 0.00 63.50 61.96 1u0f n PRO 414 Cb 0.48 -2.30 0.13 0.00 -0.04 0.00 0.00 33.50 31.77 1u0f n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u0f s ILE 415 N 1.57 2.61 -1.47 0.52 -4.36 -1.26 -3.00 121.20 115.81 1u0f s ILE 415 Ca 0.65 0.20 -0.05 0.00 -0.26 0.00 0.00 60.65 61.19 1u0f s ILE 415 Cb 0.25 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.56 1u0f s ILE 415 CO -0.02 -0.25 0.59 0.54 0.24 0.00 0.00 174.94 176.03 1u0f n ARG 416 N -3.84 -3.70 -3.40 0.37 5.12 -1.26 -1.08 116.66 108.87 1u0f n ARG 416 Ca 0.11 0.44 -0.23 0.00 -1.93 0.00 0.00 57.85 56.24 1u0f n ARG 416 Cb 0.52 -4.83 -0.01 0.00 -1.16 0.00 0.00 32.46 26.99 1u0f n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1u0f n LYS 417 N -4.42 -3.20 -0.54 5.56 4.01 -1.23 -1.71 118.16 116.63 1u0f n LYS 417 Ca -0.19 0.43 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1u0f n LYS 417 Cb 0.63 -5.12 0.00 0.00 -0.51 0.00 0.00 35.03 30.02 1u0f n LYS 417 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u0f n GLY 418 N -1.14 0.73 0.15 0.72 0.00 -0.24 -4.98 105.19 100.44 1u0f n GLY 418 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1u0f n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0f h LEU 419 N 0.00 0.38 -0.55 0.99 5.85 -1.27 -1.27 115.31 119.45 1u0f h LEU 419 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1u0f h LEU 419 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1u0f h LEU 419 CO 0.00 0.35 0.31 0.45 -0.34 0.00 0.00 178.44 179.21 1u0f h HIS 420 N 0.38 0.58 -0.08 1.25 3.86 -1.84 -2.12 115.15 117.18 1u0f h HIS 420 Ca 0.11 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.20 1u0f h HIS 420 Cb 0.05 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1u0f h HIS 420 CO -0.03 0.32 -0.55 1.25 0.86 0.00 0.00 177.93 179.77 1u0f h HIS 421 N 0.61 0.30 -0.32 2.45 -0.00 -1.82 -0.92 115.15 115.46 1u0f h HIS 421 Ca 0.23 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1u0f h HIS 421 Cb 0.07 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 1u0f h HIS 421 CO -0.07 0.74 0.20 -0.22 -0.00 0.00 0.00 177.93 178.58 1u0f h LYS 422 N 0.19 0.42 -0.56 5.26 3.64 -1.03 -0.06 116.57 124.42 1u0f h LYS 422 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1u0f h LYS 422 Cb 1.03 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1u0f h LYS 422 CO 0.09 0.30 0.23 0.82 -2.27 0.00 0.00 179.45 178.62 1u0f h ILE 423 N 0.42 1.22 -0.32 2.00 2.04 -1.13 -1.15 117.51 120.59 1u0f h ILE 423 Ca 0.11 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1u0f h ILE 423 Cb -0.02 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1u0f h ILE 423 CO -0.02 0.27 0.18 0.25 0.00 0.00 0.00 178.15 178.82 1u0f h LEU 424 N 0.77 0.29 -0.55 1.44 5.85 -0.91 -1.67 115.31 120.52 1u0f h LEU 424 Ca 0.19 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1u0f h LEU 424 Cb 0.19 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1u0f h LEU 424 CO -0.02 0.21 0.25 -0.07 -0.34 0.00 0.00 178.44 178.47 1u0f h LEU 425 N 0.37 0.74 -0.84 2.25 3.38 -0.83 -1.36 115.31 119.02 1u0f h LEU 425 Ca 0.13 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1u0f h LEU 425 Cb 0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1u0f h LEU 425 CO -0.07 0.68 0.54 0.00 0.09 0.00 0.00 178.44 179.69 1u0f h ALA 426 N 1.09 1.11 -0.45 1.53 0.00 -0.94 -1.09 119.26 120.51 1u0f h ALA 426 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1u0f h ALA 426 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1u0f h ALA 426 CO -0.02 0.37 0.05 -0.91 0.00 0.00 0.00 179.25 178.73 1u0f h ASN 427 N 1.05 0.73 -0.41 0.00 2.35 -1.07 -0.86 115.58 117.36 1u0f h ASN 427 Ca 0.34 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1u0f h ASN 427 Cb 0.02 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 1u0f h ASN 427 CO -0.12 0.83 0.09 0.15 -1.65 0.00 0.00 177.43 176.72 1u0f h PHE 428 N 0.61 0.14 -0.25 1.19 3.57 -0.79 -0.69 116.94 120.73 1u0f h PHE 428 Ca 0.13 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 1u0f h PHE 428 Cb 0.42 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1u0f h PHE 428 CO 0.03 0.02 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.78 1u0f h LEU 429 N 0.22 0.67 -0.87 0.59 3.38 -1.18 -3.29 115.31 114.83 1u0f h LEU 429 Ca 0.20 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1u0f h LEU 429 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1u0f h LEU 429 CO -0.26 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.13 1u0f h ALA 430 N 0.67 1.04 -0.40 1.53 0.00 -0.87 -2.64 119.26 118.59 1u0f h ALA 430 Ca 0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1u0f h ALA 430 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1u0f h ALA 430 CO 0.07 0.58 -0.09 1.96 0.00 0.00 0.00 179.25 181.77 1u0f h GLN 431 N 0.59 0.77 -0.24 0.00 1.08 -1.20 0.67 115.11 116.79 1u0f h GLN 431 Ca 0.10 -0.29 -0.14 0.00 -1.45 0.00 0.00 58.65 56.87 1u0f h GLN 431 Cb 0.61 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1u0f h GLN 431 CO 0.04 0.90 -0.42 1.79 -0.95 0.00 0.00 178.83 180.19 1u0f h THR 432 N 0.59 1.30 -0.35 -0.54 1.35 -1.63 -1.05 112.91 112.57 1u0f h THR 432 Ca 0.10 -1.59 0.02 0.00 -0.55 0.00 0.00 66.41 64.39 1u0f h THR 432 Cb 0.61 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 1u0f h THR 432 CO 0.04 0.50 0.19 -0.08 -0.25 0.00 0.00 175.52 175.93 1u0f h GLU 433 N 0.48 0.39 -0.41 4.72 4.81 -1.35 -1.45 114.58 121.77 1u0f h GLU 433 Ca 0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1u0f h GLU 433 Cb 0.93 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1u0f h GLU 433 CO 0.08 0.26 0.20 0.00 -0.73 0.00 0.00 179.01 178.81 1u0f h ALA 434 N 1.17 0.53 -0.80 2.92 0.00 -0.68 -0.21 119.26 122.19 1u0f h ALA 434 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u0f h ALA 434 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1u0f h ALA 434 CO -0.08 0.10 0.53 -0.07 0.00 0.00 0.00 179.25 179.72 1u0f h LEU 435 N 0.53 0.92 -0.02 0.00 3.38 -1.09 0.33 115.31 119.35 1u0f h LEU 435 Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1u0f h LEU 435 Cb 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1u0f h LEU 435 CO -0.02 0.67 -0.05 -0.03 0.09 0.00 0.00 178.44 179.10 1u0f h MET 436 N 1.08 0.07 0.05 1.13 4.05 -0.90 -1.02 114.93 119.39 1u0f h MET 436 Ca 0.29 -0.05 -0.32 0.00 -0.28 0.00 0.00 59.70 59.34 1u0f h MET 436 Cb -0.12 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 1u0f h MET 436 CO -0.06 0.64 -1.84 1.17 0.23 0.00 0.00 176.91 177.05 1u0f n LYS 437 N -4.74 0.68 0.00 0.39 4.81 -0.12 -1.39 118.16 117.79 1u0f n LYS 437 Ca -0.08 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1u0f n LYS 437 Cb 0.32 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1u0f n LYS 437 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u0f n GLY 438 N 1.74 0.58 2.95 3.14 0.00 0.09 -4.67 105.19 109.01 1u0f n GLY 438 Ca -0.23 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1u0f n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0f s LYS 439 N 0.00 0.16 0.60 1.61 2.20 -0.25 -4.91 119.74 119.14 1u0f s LYS 439 Ca 0.00 0.64 -0.15 0.00 -0.36 0.00 0.00 55.97 56.10 1u0f s LYS 439 Cb 0.00 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.01 1u0f s LYS 439 CO 0.00 -0.37 1.04 -0.51 -0.36 0.00 0.00 175.35 175.15 1u0f s LEU 440 N 2.41 3.45 0.28 5.43 2.01 -1.26 -1.86 118.68 129.13 1u0f s LEU 440 Ca 0.03 1.72 0.02 0.00 0.01 0.00 0.00 54.13 55.91 1u0f s LEU 440 Cb -0.13 -4.52 0.66 0.00 0.01 0.00 0.00 46.19 42.21 1u0f s LEU 440 CO -0.09 -1.10 1.72 -0.65 1.01 0.00 0.00 176.35 177.24 1u0f h PRO 441 N 0.30 0.46 -0.35 1.29 0.11 -1.95 -0.56 132.00 131.29 1u0f h PRO 441 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1u0f h PRO 441 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1u0f h PRO 441 CO 0.58 0.31 0.10 1.05 -0.21 0.00 0.00 178.00 179.83 1u0f h GLU 442 N 0.47 0.50 -0.04 1.05 9.09 -1.99 0.91 114.58 124.57 1u0f h GLU 442 Ca 0.52 -0.07 -0.06 0.00 0.05 0.00 0.00 59.36 59.80 1u0f h GLU 442 Cb 0.92 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1u0f h GLU 442 CO -0.47 0.44 -0.23 0.93 0.05 0.00 0.00 179.01 179.74 1u0f h GLU 443 N 0.49 0.22 -0.80 1.06 5.08 -1.52 -3.09 114.58 116.03 1u0f h GLU 443 Ca 0.12 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u0f h GLU 443 Cb 0.16 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1u0f h GLU 443 CO -0.01 0.85 0.49 0.00 -1.00 0.00 0.00 179.01 179.35 1u0f h ALA 444 N 0.37 1.36 -0.65 3.43 0.00 -1.04 -2.83 119.26 119.90 1u0f h ALA 444 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u0f h ALA 444 Cb 0.90 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1u0f h ALA 444 CO 0.05 0.56 0.39 -0.09 0.00 0.00 0.00 179.25 180.16 1u0f h ARG 445 N 1.10 0.88 -0.21 0.00 2.43 -0.87 -1.73 114.38 115.97 1u0f h ARG 445 Ca 0.29 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1u0f h ARG 445 Cb -0.06 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1u0f h ARG 445 CO -0.06 0.62 -0.13 0.87 -1.51 0.00 0.00 179.97 179.77 1u0f h LYS 446 N 0.88 0.35 -0.36 0.20 1.57 -1.42 -0.34 116.57 117.45 1u0f h LYS 446 Ca 0.23 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1u0f h LYS 446 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1u0f h LYS 446 CO -0.04 0.48 -0.11 0.93 -0.57 0.00 0.00 179.45 180.14 1u0f h GLU 447 N 0.32 0.71 -0.41 3.15 5.08 -1.22 -1.50 114.58 120.71 1u0f h GLU 447 Ca 0.06 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1u0f h GLU 447 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1u0f h GLU 447 CO 0.02 0.87 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.64 1u0f h LEU 448 N 0.50 0.80 -0.60 1.33 3.38 -0.97 -1.64 115.31 118.10 1u0f h LEU 448 Ca 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1u0f h LEU 448 Cb 0.63 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1u0f h LEU 448 CO 0.04 0.99 0.32 1.56 0.09 0.00 0.00 178.44 181.44 1u0f h GLN 449 N 0.70 0.85 -0.06 1.13 4.20 -0.97 -2.66 115.11 118.29 1u0f h GLN 449 Ca 0.10 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1u0f h GLN 449 Cb 0.71 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1u0f h GLN 449 CO 0.05 0.65 -0.34 0.00 -0.67 0.00 0.00 178.83 178.53 1u0f h ALA 450 N 1.15 1.32 0.00 3.87 0.00 -1.09 -1.87 119.26 122.64 1u0f h ALA 450 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u0f h ALA 450 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u0f h ALA 450 CO -0.03 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1u0f n ALA 451 N -2.47 1.99 -1.52 0.00 0.00 -0.63 -4.89 120.51 112.99 1u0f n ALA 451 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1u0f n ALA 451 Cb 0.40 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1u0f n ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0f n GLY 452 N 0.48 0.43 3.77 0.00 0.00 -0.70 -5.01 105.19 104.15 1u0f n GLY 452 Ca 0.07 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1u0f n GLY 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0f s LYS 453 N -3.08 4.13 0.68 1.61 -0.14 -1.03 -5.00 119.74 116.91 1u0f s LYS 453 Ca 0.00 2.15 -0.16 0.00 -1.36 0.00 0.00 55.97 56.60 1u0f s LYS 453 Cb 0.00 -2.87 0.01 0.00 -1.68 0.00 0.00 37.83 33.29 1u0f s LYS 453 CO 0.00 -0.35 1.19 -1.54 -0.76 0.00 0.00 175.35 173.89 1u0f s SER 454 N -0.68 4.59 0.30 2.83 1.04 -1.26 -4.71 113.70 115.81 1u0f s SER 454 Ca 0.54 2.31 0.01 0.00 0.48 0.00 0.00 55.95 59.29 1u0f s SER 454 Cb -0.38 -2.59 0.73 0.00 0.10 0.00 0.00 66.02 63.88 1u0f s SER 454 CO 0.49 -2.00 1.55 -2.65 0.98 0.00 0.00 173.24 171.61 1u0f n PRO 455 N -2.39 -0.08 -0.05 4.02 -0.02 -1.26 -0.38 135.00 134.85 1u0f n PRO 455 Ca 0.13 1.49 -0.14 0.00 -2.02 0.00 0.00 63.50 62.95 1u0f n PRO 455 Cb 0.50 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 1u0f n PRO 455 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1u0f h GLU 456 N 0.00 0.40 -0.60 -0.52 4.39 -2.00 -2.41 114.58 113.84 1u0f h GLU 456 Ca 0.59 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.98 1u0f h GLU 456 Cb 1.19 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 1u0f h GLU 456 CO -0.94 0.87 0.19 -0.44 -1.16 0.00 0.00 179.01 177.54 1u0f h ASP 457 N -0.02 0.87 -0.28 1.42 3.45 -1.82 -2.27 116.42 117.76 1u0f h ASP 457 Ca 0.00 -0.20 0.04 0.00 0.43 0.00 0.00 57.03 57.30 1u0f h ASP 457 Cb 0.87 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 39.37 1u0f h ASP 457 CO 0.06 0.84 0.06 0.25 -1.57 0.00 0.00 179.24 178.88 1u0f h LEU 458 N 0.85 0.03 -0.72 1.55 6.46 -0.73 -1.14 115.31 121.61 1u0f h LEU 458 Ca 0.19 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1u0f h LEU 458 Cb 0.28 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1u0f h LEU 458 CO -0.01 0.05 0.40 -0.08 -0.62 0.00 0.00 178.44 178.18 1u0f h GLU 459 N 0.17 1.00 -0.22 1.25 4.57 -1.25 -1.03 114.58 119.07 1u0f h GLU 459 Ca 0.13 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1u0f h GLU 459 Cb 0.13 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1u0f h GLU 459 CO -0.17 0.75 -0.48 0.87 -1.18 0.00 0.00 179.01 178.80 1u0f h LYS 460 N 0.99 0.59 0.00 1.92 1.57 -1.21 -3.26 116.57 117.18 1u0f h LYS 460 Ca 0.25 -0.34 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1u0f h LYS 460 Cb 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1u0f h LYS 460 CO -0.04 0.95 -1.02 -0.07 -0.57 0.00 0.00 179.45 178.70 1u0f h LEU 461 N 0.47 0.00 -0.41 2.94 3.38 -0.97 -3.40 115.31 117.31 1u0f h LEU 461 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1u0f h LEU 461 Cb 1.02 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1u0f h LEU 461 CO 0.09 0.75 -0.35 0.25 0.09 0.00 0.00 178.44 179.28 1u0f h LEU 462 N 0.00 -1.16 -1.83 1.67 5.85 -1.23 -0.73 115.31 117.88 1u0f h LEU 462 Ca -0.08 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1u0f h LEU 462 Cb 1.64 0.54 -0.00 0.00 0.37 0.00 0.00 40.66 43.21 1u0f h LEU 462 CO 0.08 -0.33 -0.11 1.55 -0.34 0.00 0.00 178.44 179.29 1u0f h PRO 463 N -0.26 0.00 0.00 5.25 0.13 -1.79 -1.46 132.00 133.87 1u0f h PRO 463 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1u0f h PRO 463 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1u0f h PRO 463 CO -0.56 0.11 -0.11 0.45 -0.23 0.00 0.00 178.00 177.66 1u0f h HIS 464 N 0.00 0.00 -0.00 1.56 3.86 -1.40 -3.01 115.15 116.16 1u0f h HIS 464 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1u0f h HIS 464 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1u0f h HIS 464 CO 0.00 0.11 -0.61 1.63 0.86 0.00 0.00 177.93 179.93 1u0f n LYS 465 N -3.32 0.19 -2.86 2.45 4.76 -0.56 -4.92 118.16 113.89 1u0f n LYS 465 Ca -0.00 -0.13 -0.40 0.00 -2.87 0.00 0.00 58.31 54.91 1u0f n LYS 465 Cb 0.33 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.96 1u0f n LYS 465 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1u0f s VAL 466 N -2.90 4.36 -0.23 -0.18 1.01 -1.14 -4.88 120.40 116.44 1u0f s VAL 466 Ca 0.12 1.88 -0.03 0.00 0.00 0.00 0.00 61.98 63.95 1u0f s VAL 466 Cb 0.17 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1u0f s VAL 466 CO 0.72 0.45 -0.05 -0.36 0.00 0.00 0.00 175.10 175.86 1u0f s PHE 467 N -0.77 2.98 0.38 5.22 0.40 -0.78 -4.94 117.98 120.48 1u0f s PHE 467 Ca 0.40 -1.14 0.17 0.00 -0.60 0.00 0.00 56.93 55.76 1u0f s PHE 467 Cb -0.24 -2.09 0.95 0.00 0.51 0.00 0.00 43.02 42.15 1u0f s PHE 467 CO 0.28 -0.61 1.91 0.93 0.70 0.00 0.00 175.22 178.43 1u0f h GLU 468 N 8.09 0.00 0.00 0.44 5.08 -1.83 -0.66 114.58 125.70 1u0f h GLU 468 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1u0f h GLU 468 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1u0f h GLU 468 CO 0.60 0.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.29 1u0f n GLY 469 N -0.57 0.61 2.46 -3.84 0.00 -1.26 -4.73 105.19 97.87 1u0f n GLY 469 Ca -0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 1u0f n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u0f n ASN 470 N -2.07 -5.72 -4.48 1.61 5.15 -0.48 -4.93 115.26 104.34 1u0f n ASN 470 Ca 0.00 -0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.54 1u0f n ASN 470 Cb 0.00 -4.71 -0.11 0.00 -0.53 0.00 0.00 39.78 34.42 1u0f n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1u0f s ARG 471 N -5.08 3.49 0.33 1.20 0.52 -0.42 -4.92 118.95 114.05 1u0f s ARG 471 Ca 0.04 -0.63 -0.23 0.00 -0.52 0.00 0.00 55.73 54.40 1u0f s ARG 471 Cb -0.02 -3.62 -0.10 0.00 0.52 0.00 0.00 34.95 31.73 1u0f s ARG 471 CO 0.05 -0.37 0.89 -1.25 0.02 0.00 0.00 175.30 174.64 1u0f s PRO 472 N 1.66 4.40 0.05 3.54 0.04 -1.26 -3.78 135.00 139.66 1u0f s PRO 472 Ca 0.05 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1u0f s PRO 472 Cb -0.17 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1u0f s PRO 472 CO 0.08 0.22 -0.01 0.95 0.04 0.00 0.00 177.00 178.29 1u0f s THR 473 N -1.75 0.21 -0.04 1.26 -4.23 -0.84 -3.45 115.64 106.80 1u0f s THR 473 Ca 0.52 -1.75 -0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1u0f s THR 473 Cb -0.16 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 1u0f s THR 473 CO 0.20 -0.96 -0.00 0.20 -0.54 0.00 0.00 174.62 173.52 1u0f s ASN 474 N -2.92 5.16 -0.19 3.99 0.01 -0.49 -4.06 114.94 116.45 1u0f s ASN 474 Ca 0.07 0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.28 1u0f s ASN 474 Cb 0.08 -1.40 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1u0f s ASN 474 CO -0.10 0.33 -0.13 -0.44 -1.51 0.00 0.00 177.10 175.25 1u0f s SER 475 N -1.21 3.69 -0.28 -1.22 0.01 -0.71 -0.89 113.70 113.08 1u0f s SER 475 Ca 0.16 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1u0f s SER 475 Cb -0.11 -1.59 0.05 0.00 0.21 0.00 0.00 66.02 64.57 1u0f s SER 475 CO 0.06 0.02 -0.05 -0.63 0.41 0.00 0.00 173.24 173.05 1u0f s ILE 476 N 1.22 2.67 -0.04 1.44 1.01 0.58 -1.10 121.20 126.98 1u0f s ILE 476 Ca 0.02 -1.44 0.07 0.00 0.00 0.00 0.00 60.65 59.31 1u0f s ILE 476 Cb -0.14 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1u0f s ILE 476 CO -0.06 -0.04 -0.25 -0.69 0.00 0.00 0.00 174.94 173.90 1u0f s VAL 477 N 1.20 2.07 0.04 2.92 1.01 -0.63 -1.66 120.40 125.35 1u0f s VAL 477 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1u0f s VAL 477 Cb -0.19 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1u0f s VAL 477 CO -0.03 0.57 -0.05 0.72 0.00 0.00 0.00 175.10 176.32 1u0f s PHE 478 N -0.37 0.50 0.18 5.22 -0.12 -0.88 -0.04 117.98 122.47 1u0f s PHE 478 Ca 0.03 -0.70 -0.15 0.00 -0.05 0.00 0.00 56.93 56.05 1u0f s PHE 478 Cb -0.12 -0.33 0.16 0.00 -0.63 0.00 0.00 43.02 42.10 1u0f s PHE 478 CO 0.02 -0.21 1.68 1.15 -0.05 0.00 0.00 175.22 177.81 1u0f h THR 479 N 4.04 0.61 -1.79 -4.49 2.02 -1.73 0.19 112.91 111.76 1u0f h THR 479 Ca -0.34 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1u0f h THR 479 Cb 1.19 0.52 -0.21 0.00 -1.74 0.00 0.00 68.15 67.91 1u0f h THR 479 CO 0.50 0.01 0.35 -0.75 0.37 0.00 0.00 175.52 176.00 1u0f s LYS 480 N -6.18 0.80 -1.25 6.66 2.20 -1.26 -1.02 119.74 119.69 1u0f s LYS 480 Ca -0.14 0.33 -0.15 0.00 -0.36 0.00 0.00 55.97 55.65 1u0f s LYS 480 Cb 0.15 0.38 0.13 0.00 -1.51 0.00 0.00 37.83 36.99 1u0f s LYS 480 CO 0.72 -0.22 1.56 -0.11 -0.36 0.00 0.00 175.35 176.93 1u0f n LEU 481 N 1.16 5.13 -4.95 5.43 7.94 -1.26 -4.75 117.00 125.70 1u0f n LEU 481 Ca -0.14 -4.26 -0.23 0.00 -1.11 0.00 0.00 56.01 50.26 1u0f n LEU 481 Cb 0.57 -1.67 0.04 0.00 0.53 0.00 0.00 43.42 42.89 1u0f n LEU 481 CO 0.17 0.52 0.43 0.42 -1.11 0.00 0.00 177.39 177.81 1u0f s THR 482 N 2.56 2.99 0.20 1.96 -4.23 -1.26 -4.89 115.64 112.97 1u0f s THR 482 Ca 0.47 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.42 1u0f s THR 482 Cb -0.00 -3.16 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1u0f s THR 482 CO 0.03 -0.13 1.70 -0.65 -0.54 0.00 0.00 174.62 175.03 1u0f h PRO 483 N -0.05 0.22 0.02 3.99 0.11 -1.93 -0.36 132.00 134.01 1u0f h PRO 483 Ca -0.44 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1u0f h PRO 483 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1u0f h PRO 483 CO 0.56 0.15 -0.04 0.35 -0.21 0.00 0.00 178.00 178.81 1u0f h PHE 484 N 0.23 -0.10 -0.54 0.65 3.57 -1.87 -1.30 116.94 117.57 1u0f h PHE 484 Ca 0.30 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1u0f h PHE 484 Cb 0.44 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1u0f h PHE 484 CO -0.26 -0.06 0.09 0.82 -2.23 0.00 0.00 178.31 176.66 1u0f h ILE 485 N -0.08 1.25 -0.46 1.41 1.08 -1.79 -1.83 117.51 117.10 1u0f h ILE 485 Ca 0.01 -0.96 0.07 0.00 -0.39 0.00 0.00 64.86 63.59 1u0f h ILE 485 Cb 0.09 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 1u0f h ILE 485 CO -0.03 0.35 0.12 0.25 -0.69 0.00 0.00 178.15 178.15 1u0f h LEU 486 N 0.78 0.08 -0.55 1.44 5.85 -0.96 -0.82 115.31 121.13 1u0f h LEU 486 Ca 0.16 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1u0f h LEU 486 Cb 0.41 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1u0f h LEU 486 CO 0.01 0.08 0.21 1.23 -0.34 0.00 0.00 178.44 179.62 1u0f h GLY 487 N 0.27 0.76 0.87 3.75 0.00 -0.83 -0.96 103.07 106.92 1u0f h GLY 487 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1u0f h GLY 487 CO -0.26 0.00 0.35 0.00 0.00 0.00 0.00 176.54 176.63 1u0f h ALA 488 N 1.37 0.75 -0.42 3.60 0.00 -0.82 -1.84 119.26 121.90 1u0f h ALA 488 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1u0f h ALA 488 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u0f h ALA 488 CO -0.27 0.08 0.15 -0.07 0.00 0.00 0.00 179.25 179.14 1u0f h LEU 489 N 0.69 0.60 -0.30 0.00 3.38 -0.58 -1.26 115.31 117.84 1u0f h LEU 489 Ca 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1u0f h LEU 489 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1u0f h LEU 489 CO -0.10 0.62 0.15 0.40 0.09 0.00 0.00 178.44 179.60 1u0f h ILE 490 N 0.54 1.15 -0.64 1.22 2.04 -1.07 -2.69 117.51 118.06 1u0f h ILE 490 Ca 0.14 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1u0f h ILE 490 Cb 0.23 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1u0f h ILE 490 CO -0.01 0.15 0.37 0.00 0.00 0.00 0.00 178.15 178.67 1u0f h ALA 491 N 1.01 1.46 -0.50 1.87 0.00 -1.21 -1.00 119.26 120.89 1u0f h ALA 491 Ca 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1u0f h ALA 491 Cb 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1u0f h ALA 491 CO -0.01 0.47 0.28 1.98 0.00 0.00 0.00 179.25 181.96 1u0f h MET 492 N 0.88 0.53 -0.06 0.00 1.85 -0.95 -0.81 114.93 116.37 1u0f h MET 492 Ca 0.23 -0.03 -0.18 0.00 -0.61 0.00 0.00 59.70 59.11 1u0f h MET 492 Cb -0.02 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 1u0f h MET 492 CO -0.04 0.35 -0.74 1.88 -0.40 0.00 0.00 176.91 177.96 1u0f h TYR 493 N 0.54 0.48 -0.44 1.39 -1.99 -1.11 -1.41 116.97 114.43 1u0f h TYR 493 Ca 0.21 -0.21 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1u0f h TYR 493 Cb 0.07 -0.07 -0.06 0.00 2.00 0.00 0.00 36.73 38.67 1u0f h TYR 493 CO -0.08 0.96 0.06 0.93 -0.00 0.00 0.00 178.16 180.03 1u0f h GLU 494 N 0.24 0.17 -0.02 4.88 5.08 -0.87 -1.79 114.58 122.27 1u0f h GLU 494 Ca -0.03 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1u0f h GLU 494 Cb 1.31 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1u0f h GLU 494 CO 0.12 0.11 -0.65 0.45 -1.00 0.00 0.00 179.01 178.05 1u0f h HIS 495 N 0.18 0.12 -0.45 4.33 3.86 -0.97 -2.03 115.15 120.18 1u0f h HIS 495 Ca 0.22 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1u0f h HIS 495 Cb 0.29 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 1u0f h HIS 495 CO -0.24 0.71 0.17 -0.22 0.86 0.00 0.00 177.93 179.22 1u0f h LYS 496 N 0.07 0.34 -0.64 2.45 3.64 -1.00 -1.34 116.57 120.08 1u0f h LYS 496 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1u0f h LYS 496 Cb 1.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1u0f h LYS 496 CO 0.09 0.23 0.41 0.82 -2.27 0.00 0.00 179.45 178.73 1u0f h ILE 497 N 0.35 1.17 -0.22 2.00 2.04 -1.09 -2.20 117.51 119.57 1u0f h ILE 497 Ca 0.21 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1u0f h ILE 497 Cb 0.20 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1u0f h ILE 497 CO -0.20 0.17 0.14 0.15 0.00 0.00 0.00 178.15 178.40 1u0f h PHE 498 N 0.87 0.26 -0.34 1.37 3.57 -1.02 -2.00 116.94 119.65 1u0f h PHE 498 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1u0f h PHE 498 Cb -0.08 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1u0f h PHE 498 CO -0.03 0.16 0.22 0.28 -2.23 0.00 0.00 178.31 176.71 1u0f h VAL 499 N 0.28 1.10 -0.72 1.41 2.07 -1.01 -2.04 116.25 117.33 1u0f h VAL 499 Ca 0.08 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1u0f h VAL 499 Cb -0.02 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1u0f h VAL 499 CO -0.03 0.09 0.46 1.56 0.02 0.00 0.00 177.57 179.68 1u0f h GLN 500 N 0.45 0.89 -0.44 1.57 4.20 -1.25 -2.03 115.11 118.51 1u0f h GLN 500 Ca 0.12 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1u0f h GLN 500 Cb -0.03 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 1u0f h GLN 500 CO -0.03 0.59 0.24 0.78 -0.67 0.00 0.00 178.83 179.75 1u0f h GLY 501 N 0.92 0.61 0.95 3.46 0.00 -1.06 -0.68 103.07 107.27 1u0f h GLY 501 Ca 0.28 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1u0f h GLY 501 CO -0.09 0.14 0.28 -2.22 0.00 0.00 0.00 176.54 174.65 1u0f h ILE 502 N 0.48 1.08 -0.35 2.60 1.08 -1.06 -1.43 117.51 119.91 1u0f h ILE 502 Ca 0.18 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1u0f h ILE 502 Cb 0.05 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1u0f h ILE 502 CO -0.11 0.10 -0.03 0.24 -0.69 0.00 0.00 178.15 177.66 1u0f h MET 503 N 0.57 0.55 0.00 2.37 2.86 -0.96 -1.26 114.93 119.06 1u0f h MET 503 Ca 0.17 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1u0f h MET 503 Cb -0.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1u0f h MET 503 CO -0.06 0.61 0.00 0.91 1.06 0.00 0.00 176.91 179.43 1u0f n TRP 504 N -4.25 0.00 -2.14 -0.22 8.01 -0.30 -4.52 117.44 114.03 1u0f n TRP 504 Ca 0.01 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.08 1u0f n TRP 504 Cb 0.27 -0.41 -0.01 0.00 -2.01 0.00 0.00 31.31 29.15 1u0f n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1u0f n ASP 505 N -1.41 -3.92 -4.81 -0.99 2.03 -0.48 -4.76 116.55 102.21 1u0f n ASP 505 Ca 0.09 0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.19 1u0f n ASP 505 Cb 0.28 -3.06 -0.05 0.00 -0.72 0.00 0.00 41.12 37.57 1u0f n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1u0f s ILE 506 N -2.59 2.29 -0.48 5.18 -4.36 -0.71 -1.13 121.20 119.40 1u0f s ILE 506 Ca 0.00 -1.56 -0.17 0.00 -0.26 0.00 0.00 60.65 58.66 1u0f s ILE 506 Cb 0.00 -2.85 0.06 0.00 1.25 0.00 0.00 42.46 40.92 1u0f s ILE 506 CO 0.00 0.00 0.49 0.21 0.24 0.00 0.00 174.94 175.88 1u0f s ASN 507 N -4.03 6.18 0.00 4.36 3.84 -1.26 -4.50 114.94 119.53 1u0f s ASN 507 Ca 0.41 -1.11 0.15 0.00 0.21 0.00 0.00 52.86 52.53 1u0f s ASN 507 Cb 0.01 -2.23 0.79 0.00 -0.55 0.00 0.00 41.25 39.26 1u0f s ASN 507 CO 0.24 -0.74 1.42 -1.20 -2.79 0.00 0.00 177.10 174.03 1u0f n SER 508 N 5.63 0.00 -0.04 -4.21 7.64 -1.26 -3.96 113.62 117.42 1u0f n SER 508 Ca -0.10 0.03 0.01 0.00 1.01 0.00 0.00 58.87 59.82 1u0f n SER 508 Cb 0.45 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1u0f n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1u0f n PHE 509 N -1.27 0.00 -3.19 1.43 3.01 -1.26 -4.41 117.46 111.77 1u0f n PHE 509 Ca 0.08 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.36 1u0f n PHE 509 Cb 0.12 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.63 1u0f n PHE 509 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1u0f n ASP 510 N -0.20 1.96 -2.73 4.37 5.68 -1.25 -4.99 116.55 119.38 1u0f n ASP 510 Ca 0.01 -2.39 -0.09 0.00 -0.50 0.00 0.00 54.79 51.82 1u0f n ASP 510 Cb 0.03 -0.30 0.09 0.00 -1.14 0.00 0.00 41.12 39.80 1u0f n ASP 510 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u0f n GLN 511 N -2.00 1.04 0.16 0.11 0.00 -1.26 -4.79 117.38 110.64 1u0f n GLN 511 Ca 0.11 -1.93 0.13 0.00 0.00 0.00 0.00 57.00 55.31 1u0f n GLN 511 Cb 0.52 -0.95 0.54 0.00 0.00 0.00 0.00 30.24 30.36 1u0f n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1u0f h TRP 512 N 2.91 0.00 0.00 2.61 4.06 -1.99 -3.12 115.95 120.42 1u0f h TRP 512 Ca -0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1u0f h TRP 512 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1u0f h TRP 512 CO 0.31 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.60 1u0f n GLY 513 N -0.04 -1.21 0.16 1.49 0.00 -1.26 -2.74 105.19 101.59 1u0f n GLY 513 Ca 0.02 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1u0f n GLY 513 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u0f n VAL 514 N -1.36 0.00 -0.07 1.61 0.24 -1.18 -4.50 118.33 113.07 1u0f n VAL 514 Ca 0.10 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 62.17 1u0f n VAL 514 Cb 0.24 0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 1u0f n VAL 514 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1u0f h GLU 515 N 0.78 0.62 -0.56 7.34 4.81 -1.75 -3.21 114.58 122.61 1u0f h GLU 515 Ca 0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1u0f h GLU 515 Cb 0.50 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1u0f h GLU 515 CO 0.00 0.99 0.30 1.25 -0.73 0.00 0.00 179.01 180.82 1u0f h LEU 516 N 0.31 0.71 -1.21 1.64 5.85 -1.81 -1.94 115.31 118.85 1u0f h LEU 516 Ca 0.02 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1u0f h LEU 516 Cb 0.95 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1u0f h LEU 516 CO 0.08 0.61 0.01 1.23 -0.34 0.00 0.00 178.44 180.03 1u0f h GLY 517 N 0.75 0.59 0.96 3.75 0.00 -1.86 -1.68 103.07 105.59 1u0f h GLY 517 Ca 0.20 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1u0f h GLY 517 CO -0.03 0.32 -0.01 0.50 0.00 0.00 0.00 176.54 177.33 1u0f h LYS 518 N 0.53 0.75 -0.26 4.80 1.57 -1.41 -1.73 116.57 120.82 1u0f h LYS 518 Ca 0.11 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1u0f h LYS 518 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1u0f h LYS 518 CO 0.01 0.83 0.09 1.96 -0.57 0.00 0.00 179.45 181.77 1u0f h GLN 519 N 0.58 0.39 -0.11 3.15 4.20 -1.07 -2.52 115.11 119.74 1u0f h GLN 519 Ca 0.12 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1u0f h GLN 519 Cb 0.50 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1u0f h GLN 519 CO 0.02 0.45 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.22 1u0f h LEU 520 N 0.26 0.23 -0.41 1.46 3.38 -1.29 -2.88 115.31 116.07 1u0f h LEU 520 Ca 0.08 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1u0f h LEU 520 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1u0f h LEU 520 CO -0.00 0.57 -0.13 0.00 0.09 0.00 0.00 178.44 178.96 1u0f h ALA 521 N 1.45 0.57 -0.73 1.53 0.00 -1.16 -2.44 119.26 118.48 1u0f h ALA 521 Ca 0.02 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1u0f h ALA 521 Cb 0.70 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1u0f h ALA 521 CO 0.05 0.47 0.48 0.87 0.00 0.00 0.00 179.25 181.12 1u0f h LYS 522 N 0.63 0.75 -0.32 0.00 1.57 -1.31 -0.80 116.57 117.10 1u0f h LYS 522 Ca 0.10 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 1u0f h LYS 522 Cb 0.67 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1u0f h LYS 522 CO 0.05 0.50 -0.45 0.87 -0.57 0.00 0.00 179.45 179.85 1u0f h LYS 523 N 0.77 0.82 0.03 3.15 1.57 -1.31 -3.33 116.57 118.27 1u0f h LYS 523 Ca 0.31 -0.46 -0.24 0.00 -1.87 0.00 0.00 60.65 58.40 1u0f h LYS 523 Cb 0.23 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1u0f h LYS 523 CO -0.10 1.09 -1.00 0.82 -0.57 0.00 0.00 179.45 179.69 1u0f h ILE 524 N 0.66 1.42 -0.61 1.86 2.04 -0.89 -3.38 117.51 118.61 1u0f h ILE 524 Ca 0.04 -2.57 0.10 0.00 1.00 0.00 0.00 64.86 63.42 1u0f h ILE 524 Cb 1.02 2.53 -0.11 0.00 -0.74 0.00 0.00 36.82 39.52 1u0f h ILE 524 CO 0.10 0.76 -0.41 -0.08 0.00 0.00 0.00 178.15 178.53 1u0f h GLU 525 N 0.19 -0.19 0.00 2.37 4.81 -1.28 -0.35 114.58 120.13 1u0f h GLU 525 Ca -0.09 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1u0f h GLU 525 Cb 1.66 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.08 1u0f h GLU 525 CO 0.17 -0.13 -0.13 -1.00 -0.73 0.00 0.00 179.01 177.19 1u0f h PRO 526 N -0.20 0.00 0.00 0.92 0.13 -1.77 -2.95 132.00 128.13 1u0f h PRO 526 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 1u0f h PRO 526 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1u0f h PRO 526 CO -0.70 0.13 -0.05 0.93 -0.23 0.00 0.00 178.00 178.07 1u0f h GLU 527 N 0.00 0.00 0.00 0.86 5.08 -1.23 -3.13 114.58 116.15 1u0f h GLU 527 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1u0f h GLU 527 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1u0f h GLU 527 CO 0.02 0.05 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.47 1u0f h LEU 528 N 0.00 0.00 0.17 1.33 3.38 -1.38 -3.39 115.31 115.42 1u0f h LEU 528 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u0f h LEU 528 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1u0f h LEU 528 CO 0.01 0.55 -0.28 -0.33 0.09 0.00 0.00 178.44 178.47 1u0f h GLU 529 N 0.00 -0.46 0.00 1.13 5.08 -1.70 -3.46 114.58 115.17 1u0f h GLU 529 Ca -0.01 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1u0f h GLU 529 Cb 1.29 0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.66 1u0f h GLU 529 CO 0.07 -0.31 0.03 0.41 -1.00 0.00 0.00 179.01 178.22 1u0f n GLY 530 N -1.28 -1.18 0.05 -3.84 0.00 -1.26 -4.99 105.19 92.68 1u0f n GLY 530 Ca -0.06 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.41 1u0f n GLY 530 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0f n SER 531 N -3.07 0.65 -4.77 1.61 3.41 -1.26 -4.98 113.62 105.21 1u0f n SER 531 Ca 0.01 -0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 1u0f n SER 531 Cb 0.05 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1u0f n SER 531 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1u0f s SER 532 N -4.25 5.75 0.30 4.04 1.04 -1.26 -4.98 113.70 114.34 1u0f s SER 532 Ca 0.03 2.20 -0.29 0.00 0.48 0.00 0.00 55.95 58.37 1u0f s SER 532 Cb 0.13 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.57 1u0f s SER 532 CO 0.78 -1.20 1.35 0.00 0.98 0.00 0.00 173.24 175.15 1u0f s ALA 533 N -1.74 3.54 -0.24 5.32 0.00 -1.26 -5.01 121.76 122.37 1u0f s ALA 533 Ca 0.72 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 1u0f s ALA 533 Cb -0.25 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1u0f s ALA 533 CO 0.28 -0.67 0.19 0.08 0.00 0.00 0.00 175.76 175.63 1u0f s VAL 534 N -0.68 5.34 0.00 0.00 1.01 -1.26 -4.95 120.40 119.85 1u0f s VAL 534 Ca 0.53 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1u0f s VAL 534 Cb -0.40 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1u0f s VAL 534 CO 0.49 0.33 0.64 0.35 0.00 0.00 0.00 175.10 176.91 1u0f n THR 535 N 4.30 0.40 1.73 3.92 -2.24 -1.26 -4.71 114.28 116.43 1u0f n THR 535 Ca -0.14 -0.51 0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1u0f n THR 535 Cb 0.52 0.93 0.86 0.00 -2.10 0.00 0.00 70.33 70.54 1u0f n THR 535 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1u0f n SER 536 N -0.20 0.00 -2.12 3.42 3.41 -1.26 -4.85 113.62 112.02 1u0f n SER 536 Ca 0.00 -0.60 -0.01 0.00 -0.26 0.00 0.00 58.87 57.99 1u0f n SER 536 Cb 0.26 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1u0f n SER 536 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u0f n HIS 537 N -1.13 -0.77 -0.84 7.33 8.25 -1.26 -5.11 115.22 121.69 1u0f n HIS 537 Ca 0.19 -0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 1u0f n HIS 537 Cb 0.17 -0.02 0.18 0.00 1.12 0.00 0.00 29.99 31.44 1u0f n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1u0f s ASP 538 N -1.13 2.67 0.47 0.41 1.47 -1.26 -4.76 116.67 114.53 1u0f s ASP 538 Ca 0.01 1.78 0.21 0.00 1.18 0.00 0.00 52.55 55.73 1u0f s ASP 538 Cb -0.00 -2.38 1.17 0.00 -0.34 0.00 0.00 42.92 41.36 1u0f s ASP 538 CO 0.00 -3.19 1.99 0.77 0.68 0.00 0.00 175.17 175.43 1u0f h SER 539 N -1.93 0.00 0.27 2.11 4.64 -1.98 -1.44 113.55 115.23 1u0f h SER 539 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1u0f h SER 539 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1u0f h SER 539 CO 0.48 0.19 -0.13 -1.28 -0.87 0.00 0.00 176.83 175.22 1u0f h SER 540 N 0.00 -0.31 -0.51 4.97 0.87 -1.98 -0.31 113.55 116.28 1u0f h SER 540 Ca -0.00 -0.22 0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1u0f h SER 540 Cb 0.41 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.39 1u0f h SER 540 CO 0.02 0.12 0.16 0.74 -0.53 0.00 0.00 176.83 177.34 1u0f h THR 541 N -0.82 0.79 -0.57 2.23 2.02 -1.89 0.14 112.91 114.81 1u0f h THR 541 Ca -0.04 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1u0f h THR 541 Cb 0.51 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1u0f h THR 541 CO 0.06 0.06 0.33 0.78 0.37 0.00 0.00 175.52 177.12 1u0f h ASN 542 N 0.32 0.51 -0.12 4.18 -0.26 -1.32 -1.50 115.58 117.39 1u0f h ASN 542 Ca 0.25 0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.88 1u0f h ASN 542 Cb 0.29 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1u0f h ASN 542 CO -0.28 0.35 -0.34 1.23 -1.06 0.00 0.00 177.43 177.33 1u0f h GLY 543 N 0.64 0.67 0.98 2.83 0.00 -0.09 -1.16 103.07 106.94 1u0f h GLY 543 Ca 0.24 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1u0f h GLY 543 CO -0.13 0.57 0.01 1.41 0.00 0.00 0.00 176.54 178.41 1u0f h LEU 544 N 0.52 0.77 -0.77 3.11 3.38 -0.57 -1.85 115.31 119.90 1u0f h LEU 544 Ca 0.06 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1u0f h LEU 544 Cb 0.84 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1u0f h LEU 544 CO 0.07 0.88 0.38 0.40 0.09 0.00 0.00 178.44 180.26 1u0f h ILE 545 N 0.64 1.24 -0.84 1.22 2.04 -1.09 -1.73 117.51 118.99 1u0f h ILE 545 Ca 0.13 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1u0f h ILE 545 Cb 0.48 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1u0f h ILE 545 CO 0.02 0.28 0.54 0.28 0.00 0.00 0.00 178.15 179.28 1u0f h SER 546 N 1.08 0.91 -0.42 1.72 0.02 -1.02 -0.62 113.55 115.22 1u0f h SER 546 Ca 0.27 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1u0f h SER 546 Cb 0.10 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1u0f h SER 546 CO -0.04 0.63 0.12 0.15 -1.14 0.00 0.00 176.83 176.56 1u0f h PHE 547 N 1.07 0.69 -0.36 3.45 3.57 -1.03 -1.43 116.94 122.90 1u0f h PHE 547 Ca 0.33 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1u0f h PHE 547 Cb -0.02 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1u0f h PHE 547 CO -0.02 0.64 0.16 0.82 -2.23 0.00 0.00 178.31 177.68 1u0f h ILE 548 N 0.54 0.96 -0.41 1.41 2.04 -0.98 -0.09 117.51 120.97 1u0f h ILE 548 Ca 0.13 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 1u0f h ILE 548 Cb 0.28 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1u0f h ILE 548 CO -0.00 0.06 -0.14 0.11 0.00 0.00 0.00 178.15 178.18 1u0f h LYS 549 N 0.34 0.76 -0.33 2.37 1.57 -0.98 -1.94 116.57 118.36 1u0f h LYS 549 Ca 0.15 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1u0f h LYS 549 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1u0f h LYS 549 CO -0.12 0.86 -0.41 0.37 -0.57 0.00 0.00 179.45 179.59 1u0f h GLN 550 N 0.68 0.82 0.00 3.15 4.15 -1.01 -3.33 115.11 119.57 1u0f h GLN 550 Ca 0.11 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1u0f h GLN 550 Cb 0.62 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1u0f h GLN 550 CO 0.04 1.07 -0.66 1.04 -1.93 0.00 0.00 178.83 178.40 1u0f n GLN 551 N -4.04 0.20 0.26 1.69 1.13 -0.07 -4.02 117.38 112.53 1u0f n GLN 551 Ca -0.02 0.04 0.17 0.00 -1.94 0.00 0.00 57.00 55.25 1u0f n GLN 551 Cb 0.55 -1.61 0.68 0.00 0.11 0.00 0.00 30.24 29.96 1u0f n GLN 551 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1u0f h ARG 552 N 0.00 0.00 0.00 -1.09 0.11 -1.46 -2.90 114.38 109.04 1u0f h ARG 552 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 1u0f h ARG 552 Cb 0.67 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 1u0f h ARG 552 CO 0.00 0.00 -1.24 -0.44 0.10 0.00 0.00 179.97 178.39 1u0f h ASP 553 N 0.00 0.00 -2.11 0.08 3.32 -1.79 -3.48 116.42 112.44 1u0f h ASP 553 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1u0f h ASP 553 Cb 0.49 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.09 1u0f h ASP 553 CO 0.00 0.75 0.70 0.41 -1.72 0.00 0.00 179.24 179.38 1u0f n THR 554 N -3.08 0.02 -3.39 0.35 -1.04 -1.10 -4.96 114.28 101.08 1u0f n THR 554 Ca -0.08 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 1u0f n THR 554 Cb 0.89 -1.33 -0.09 0.00 -1.82 0.00 0.00 70.33 67.98 1u0f n THR 554 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1u0f s LYS 555 N 0.76 4.04 0.00 -2.82 3.01 -1.26 -5.11 119.74 118.36 1u0f s LYS 555 Ca 0.80 0.07 0.13 0.00 -1.01 0.00 0.00 55.97 55.95 1u0f s LYS 555 Cb -0.76 -3.63 0.10 0.00 -1.01 0.00 0.00 37.83 32.53 1u0f s LYS 555 CO 0.41 -0.23 0.90 1.28 0.51 0.00 0.00 175.35 178.21