#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9f s ILE 2 N 0.00 1.29 -0.06 1.12 1.01 -1.26 -4.49 121.20 118.81 1s9f s ILE 2 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1s9f s ILE 2 Cb 0.00 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1s9f s ILE 2 CO 0.00 0.40 -0.16 -0.69 0.00 0.00 0.00 174.94 174.49 1s9f s VAL 3 N 1.07 2.93 -0.17 2.92 1.01 -0.71 -2.41 120.40 125.04 1s9f s VAL 3 Ca -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1s9f s VAL 3 Cb -0.15 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1s9f s VAL 3 CO -0.02 0.58 -0.19 -0.22 0.00 0.00 0.00 175.10 175.25 1s9f s LEU 4 N -0.51 2.06 -0.16 3.92 0.20 0.83 -2.59 118.68 122.43 1s9f s LEU 4 Ca 0.07 -0.62 -0.05 0.00 0.69 0.00 0.00 54.13 54.21 1s9f s LEU 4 Cb -0.12 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 1s9f s LEU 4 CO 0.01 -0.00 0.02 0.12 -0.29 0.00 0.00 176.35 176.21 1s9f s PHE 5 N 1.28 3.17 -0.10 5.38 5.36 0.13 0.26 117.98 133.47 1s9f s PHE 5 Ca 0.04 -0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1s9f s PHE 5 Cb -0.13 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.54 1s9f s PHE 5 CO -0.12 0.16 -0.16 0.08 -1.46 0.00 0.00 175.22 173.73 1s9f s VAL 6 N 0.12 2.83 -0.20 3.12 1.01 -0.20 -0.67 120.40 126.40 1s9f s VAL 6 Ca 0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1s9f s VAL 6 Cb -0.13 -2.14 0.06 0.00 0.00 0.00 0.00 36.38 34.17 1s9f s VAL 6 CO 0.01 0.55 0.03 -0.62 0.00 0.00 0.00 175.10 175.08 1s9f s ASP 7 N 0.01 3.04 0.29 3.32 2.15 -0.08 -1.95 116.67 123.45 1s9f s ASP 7 Ca -0.05 -0.89 -0.30 0.00 0.43 0.00 0.00 52.55 51.74 1s9f s ASP 7 Cb -0.15 -0.65 -0.11 0.00 -0.30 0.00 0.00 42.92 41.72 1s9f s ASP 7 CO 0.04 -0.31 1.54 -0.36 -0.17 0.00 0.00 175.17 175.92 1s9f s PHE 8 N 1.82 2.81 0.10 -5.34 0.08 -0.60 -0.79 117.98 116.04 1s9f s PHE 8 Ca -0.01 0.90 -0.30 0.00 0.12 0.00 0.00 56.93 57.63 1s9f s PHE 8 Cb -0.17 -3.99 -0.06 0.00 -0.57 0.00 0.00 43.02 38.22 1s9f s PHE 8 CO -0.09 -3.26 1.18 -0.51 -0.10 0.00 0.00 175.22 172.44 1s9f s ASP 9 N 0.37 7.11 -0.29 1.36 1.01 -0.92 -3.91 116.67 121.40 1s9f s ASP 9 Ca 0.61 2.05 -0.03 0.00 0.71 0.00 0.00 52.55 55.89 1s9f s ASP 9 Cb -0.46 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 40.89 1s9f s ASP 9 CO 0.49 -0.42 0.06 0.00 0.21 0.00 0.00 175.17 175.51 1s9f n TYR 10 N 3.49 -0.27 -0.11 4.23 0.18 -1.26 -4.51 117.16 118.91 1s9f n TYR 10 Ca 0.07 0.08 -0.03 0.00 1.88 0.00 0.00 57.90 59.90 1s9f n TYR 10 Cb 0.46 -0.57 -0.03 0.00 -0.38 0.00 0.00 39.34 38.83 1s9f n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s9f n PHE 11 N -1.76 -0.12 -0.22 -3.48 7.35 -1.25 -1.07 117.46 116.92 1s9f n PHE 11 Ca -0.05 0.33 -0.02 0.00 -0.76 0.00 0.00 57.45 56.95 1s9f n PHE 11 Cb 0.13 -0.44 0.09 0.00 0.35 0.00 0.00 39.48 39.61 1s9f n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1s9f h TYR 12 N 0.00 0.64 -0.60 -5.13 0.05 -1.96 -0.54 116.97 109.43 1s9f h TYR 12 Ca 0.04 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1s9f h TYR 12 Cb 0.11 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1s9f h TYR 12 CO -0.74 0.30 0.12 0.00 -1.05 0.00 0.00 178.16 176.80 1s9f h ALA 13 N 1.34 0.80 -0.68 3.88 0.00 -1.75 -2.21 119.26 120.62 1s9f h ALA 13 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1s9f h ALA 13 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1s9f h ALA 13 CO -0.18 0.53 0.28 0.37 0.00 0.00 0.00 179.25 180.25 1s9f h GLN 14 N 0.89 1.01 -0.34 0.00 4.15 -0.55 -1.48 115.11 118.79 1s9f h GLN 14 Ca 0.19 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1s9f h GLN 14 Cb 0.39 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1s9f h GLN 14 CO 0.01 0.84 0.19 0.28 -1.93 0.00 0.00 178.83 178.21 1s9f h VAL 15 N 0.97 1.01 -0.41 2.39 2.07 -0.88 -0.38 116.25 121.01 1s9f h VAL 15 Ca 0.23 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1s9f h VAL 15 Cb 0.19 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1s9f h VAL 15 CO -0.02 0.07 0.27 -0.33 0.02 0.00 0.00 177.57 177.58 1s9f h GLU 16 N 0.39 0.53 -0.14 1.57 4.39 -1.02 -1.33 114.58 118.97 1s9f h GLU 16 Ca 0.14 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 1s9f h GLU 16 Cb 0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1s9f h GLU 16 CO -0.08 0.35 -0.52 0.93 -1.16 0.00 0.00 179.01 178.53 1s9f h GLU 17 N 0.54 0.40 -0.34 2.33 5.08 -0.24 -1.15 114.58 121.20 1s9f h GLU 17 Ca 0.15 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 1s9f h GLU 17 Cb -0.04 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1s9f h GLU 17 CO -0.03 0.82 -0.47 0.28 -1.00 0.00 0.00 179.01 178.61 1s9f h VAL 18 N 0.31 1.27 0.00 3.13 2.07 -0.22 -2.08 116.25 120.73 1s9f h VAL 18 Ca 0.01 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1s9f h VAL 18 Cb 1.02 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1s9f h VAL 18 CO 0.09 0.55 -0.10 -0.07 0.02 0.00 0.00 177.57 178.05 1s9f h LEU 19 N 0.72 0.00 -6.27 2.57 3.38 -1.20 -3.36 115.31 111.14 1s9f h LEU 19 Ca 0.04 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.45 1s9f h LEU 19 Cb 1.08 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.46 1s9f h LEU 19 CO 0.11 0.10 -0.95 0.21 0.09 0.00 0.00 178.44 178.00 1s9f s ASN 20 N -6.06 1.22 0.63 -0.43 3.84 -0.44 -5.00 114.94 108.69 1s9f s ASN 20 Ca 0.03 -2.98 0.28 0.00 0.21 0.00 0.00 52.86 50.40 1s9f s ASN 20 Cb 0.08 -0.28 1.50 0.00 -0.55 0.00 0.00 41.25 41.99 1s9f s ASN 20 CO 0.63 -0.16 1.83 -0.65 -2.79 0.00 0.00 177.10 175.96 1s9f h PRO 21 N 5.60 0.00 0.00 0.43 0.11 -1.54 -1.15 132.00 135.45 1s9f h PRO 21 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1s9f h PRO 21 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1s9f h PRO 21 CO 0.35 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.01 1s9f n SER 22 N -2.79 0.00 0.06 -2.05 3.41 -1.26 -1.47 113.62 109.51 1s9f n SER 22 Ca -0.02 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.20 1s9f n SER 22 Cb 0.38 -0.04 0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1s9f n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s9f h LEU 23 N 0.00 0.00 -9.54 1.04 3.38 -1.50 -3.47 115.31 105.22 1s9f h LEU 23 Ca 0.00 -0.24 -0.58 0.00 0.09 0.00 0.00 57.88 57.15 1s9f h LEU 23 Cb 0.02 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.84 1s9f h LEU 23 CO 0.00 0.12 0.75 0.29 0.09 0.00 0.00 178.44 179.69 1s9f n LYS 24 N -2.11 2.13 0.00 1.13 4.76 -0.54 -1.62 118.16 121.91 1s9f n LYS 24 Ca 0.03 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 1s9f n LYS 24 Cb 0.44 -2.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 1s9f n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s9f n GLY 25 N 3.03 1.68 3.89 0.72 0.00 -1.26 -5.05 105.19 108.20 1s9f n GLY 25 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1s9f n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9f s LYS 26 N -0.63 3.24 -0.06 1.61 1.02 -0.64 -5.06 119.74 119.22 1s9f s LYS 26 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 1s9f s LYS 26 Cb 0.00 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1s9f s LYS 26 CO 0.00 0.49 1.15 -1.25 -0.92 0.00 0.00 175.35 174.82 1s9f s PRO 27 N -3.30 4.37 -0.13 -1.68 0.04 -1.26 -4.86 135.00 128.18 1s9f s PRO 27 Ca 0.33 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.98 1s9f s PRO 27 Cb -0.10 -3.55 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1s9f s PRO 27 CO 0.27 -0.40 -0.16 0.08 0.04 0.00 0.00 177.00 176.83 1s9f s VAL 28 N 2.11 2.73 -0.18 -0.36 1.01 -1.26 -1.41 120.40 123.05 1s9f s VAL 28 Ca 0.54 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1s9f s VAL 28 Cb -0.23 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1s9f s VAL 28 CO 0.21 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.98 1s9f s VAL 29 N 0.53 1.87 -0.26 2.92 1.01 0.05 -0.78 120.40 125.75 1s9f s VAL 29 Ca -0.10 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1s9f s VAL 29 Cb -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1s9f s VAL 29 CO 0.04 0.43 0.43 -0.69 0.00 0.00 0.00 175.10 175.32 1s9f s VAL 30 N 1.35 5.13 0.16 2.92 1.01 0.23 -0.59 120.40 130.61 1s9f s VAL 30 Ca 0.03 0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.82 1s9f s VAL 30 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1s9f s VAL 30 CO -0.11 0.14 -0.13 0.00 0.00 0.00 0.00 175.10 175.00 1s9f s VAL 32 N -1.52 4.59 -0.13 0.00 1.01 0.55 -0.80 120.40 124.09 1s9f s VAL 32 Ca 0.23 -2.33 -0.29 0.00 0.00 0.00 0.00 61.98 59.58 1s9f s VAL 32 Cb -0.09 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1s9f s VAL 32 CO 0.13 -0.89 1.18 -0.36 0.00 0.00 0.00 175.10 175.16 1s9f s PHE 33 N 0.58 3.13 -0.69 5.22 0.08 -1.26 -2.27 117.98 122.76 1s9f s PHE 33 Ca 0.13 1.22 0.25 0.00 0.12 0.00 0.00 56.93 58.65 1s9f s PHE 33 Cb -0.20 -3.40 0.56 0.00 -0.57 0.00 0.00 43.02 39.41 1s9f s PHE 33 CO -0.04 -1.20 1.53 -1.13 -0.10 0.00 0.00 175.22 174.28 1s9f n SER 34 N 5.86 0.74 0.00 1.36 3.41 -0.62 -4.95 113.62 119.42 1s9f n SER 34 Ca 0.12 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1s9f n SER 34 Cb 0.46 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1s9f n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s9f n GLY 35 N 1.33 1.39 0.24 5.00 0.00 -1.26 -4.69 105.19 107.20 1s9f n GLY 35 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1s9f n GLY 35 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s9f h ARG 36 N 2.96 0.00 0.00 1.61 2.43 -1.86 -3.47 114.38 116.05 1s9f h ARG 36 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s9f h ARG 36 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1s9f h ARG 36 CO 0.00 0.18 0.00 1.97 -1.51 0.00 0.00 179.97 180.61 1s9f n PHE 37 N -4.04 0.00 -1.66 2.20 1.16 -1.26 -4.96 117.46 108.89 1s9f n PHE 37 Ca -0.02 0.00 -0.47 0.00 -1.87 0.00 0.00 57.45 55.09 1s9f n PHE 37 Cb 0.26 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.08 1s9f n PHE 37 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1s9f n GLU 38 N -0.04 2.24 -1.02 3.97 2.13 -1.26 -0.85 120.64 125.82 1s9f n GLU 38 Ca 0.00 0.81 -0.01 0.00 0.66 0.00 0.00 57.16 58.62 1s9f n GLU 38 Cb 0.00 -2.73 -0.00 0.00 0.27 0.00 0.00 31.44 28.98 1s9f n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1s9f n ASP 39 N 7.22 -3.27 -4.77 4.31 8.00 -1.26 -5.02 116.55 121.75 1s9f n ASP 39 Ca 0.23 0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.37 1s9f n ASP 39 Cb 0.32 -0.82 -0.05 0.00 -0.02 0.00 0.00 41.12 40.55 1s9f n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s9f s SER 40 N -2.27 7.09 0.00 -2.24 1.04 -0.03 -3.96 113.70 113.32 1s9f s SER 40 Ca 0.00 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.45 1s9f s SER 40 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1s9f s SER 40 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1s9f n GLY 41 N 0.64 0.79 3.25 7.32 0.00 -1.26 -1.60 105.19 114.34 1s9f n GLY 41 Ca 0.02 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1s9f n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9f s ALA 42 N -1.30 1.41 -0.00 4.61 0.00 -0.96 -1.92 121.76 123.61 1s9f s ALA 42 Ca 0.00 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.07 1s9f s ALA 42 Cb 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1s9f s ALA 42 CO 0.00 -0.35 0.78 0.08 0.00 0.00 0.00 175.76 176.27 1s9f s VAL 43 N -3.68 4.86 -0.14 0.00 1.01 -0.09 -0.33 120.40 122.03 1s9f s VAL 43 Ca 0.27 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 1s9f s VAL 43 Cb 0.06 -4.12 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 1s9f s VAL 43 CO 0.06 0.29 0.63 0.00 0.00 0.00 0.00 175.10 176.08 1s9f h ALA 44 N 6.24 0.07 -2.40 5.51 0.00 -1.04 0.65 119.26 128.29 1s9f h ALA 44 Ca -0.42 -0.74 0.17 0.00 0.00 0.00 0.00 54.91 53.91 1s9f h ALA 44 Cb 1.20 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1s9f h ALA 44 CO 0.73 0.28 0.51 -0.08 0.00 0.00 0.00 179.25 180.69 1s9f s THR 45 N -2.30 0.00 0.10 0.00 -1.32 -1.11 -4.40 115.64 106.60 1s9f s THR 45 Ca -0.21 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.49 1s9f s THR 45 Cb 0.00 -2.28 0.02 0.00 -1.51 0.00 0.00 72.50 68.73 1s9f s THR 45 CO 0.69 0.00 0.32 0.00 -2.21 0.00 0.00 174.62 173.42 1s9f s ALA 46 N -2.92 -0.66 0.93 11.08 0.00 -1.26 -0.60 121.76 128.33 1s9f s ALA 46 Ca 0.15 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 1s9f s ALA 46 Cb -0.02 0.56 0.16 0.00 0.00 0.00 0.00 23.12 23.82 1s9f s ALA 46 CO 0.03 -0.56 1.20 0.54 0.00 0.00 0.00 175.76 176.97 1s9f s ASN 47 N -2.70 3.34 0.53 0.00 2.20 0.04 -4.80 114.94 113.55 1s9f s ASN 47 Ca 0.02 0.68 0.26 0.00 -0.94 0.00 0.00 52.86 52.87 1s9f s ASN 47 Cb 0.02 -1.04 1.46 0.00 -2.00 0.00 0.00 41.25 39.70 1s9f s ASN 47 CO -0.10 -2.63 2.10 1.88 -2.94 0.00 0.00 177.10 175.41 1s9f h TYR 48 N -1.56 0.00 -0.76 1.54 -1.99 -1.96 -1.97 116.97 110.27 1s9f h TYR 48 Ca -0.47 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.23 1s9f h TYR 48 Cb 1.30 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.99 1s9f h TYR 48 CO -0.41 0.10 0.36 0.93 -0.00 0.00 0.00 178.16 179.14 1s9f h GLU 49 N 0.00 1.09 0.07 4.88 4.39 -1.92 -2.54 114.58 120.55 1s9f h GLU 49 Ca -0.00 -0.16 -0.25 0.00 0.34 0.00 0.00 59.36 59.30 1s9f h GLU 49 Cb 0.25 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1s9f h GLU 49 CO 0.01 0.84 -1.11 0.00 -1.16 0.00 0.00 179.01 177.60 1s9f h ALA 50 N 1.31 0.24 -0.09 3.43 0.00 -1.69 -3.33 119.26 119.14 1s9f h ALA 50 Ca 0.26 -0.84 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1s9f h ALA 50 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1s9f h ALA 50 CO -0.03 0.98 -0.24 0.00 0.00 0.00 0.00 179.25 179.96 1s9f h ARG 51 N 0.09 0.15 0.00 0.00 3.08 -1.10 -2.39 114.38 114.20 1s9f h ARG 51 Ca -0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1s9f h ARG 51 Cb 1.81 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1s9f h ARG 51 CO 0.18 0.38 0.00 0.36 -1.07 0.00 0.00 179.97 179.82 1s9f n LYS 52 N -4.20 0.40 -0.03 0.04 2.85 -0.98 -1.62 118.16 114.62 1s9f n LYS 52 Ca -0.01 0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.30 1s9f n LYS 52 Cb 0.33 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.24 1s9f n LYS 52 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1s9f n PHE 53 N -1.09 0.07 -0.04 5.58 3.72 -0.94 -4.99 117.46 119.77 1s9f n PHE 53 Ca 0.10 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1s9f n PHE 53 Cb 0.07 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1s9f n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s9f n GLY 54 N -0.14 0.41 3.56 1.37 0.00 -0.64 -4.99 105.19 104.76 1s9f n GLY 54 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1s9f n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9f s VAL 55 N -2.12 4.33 0.26 1.61 1.01 -0.97 -4.98 120.40 119.54 1s9f s VAL 55 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 1s9f s VAL 55 Cb 0.00 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 1s9f s VAL 55 CO 0.00 -1.05 0.32 -1.59 0.00 0.00 0.00 175.10 172.78 1s9f s LYS 56 N 4.13 1.50 0.23 2.72 -2.85 -1.26 -3.08 119.74 121.13 1s9f s LYS 56 Ca 0.37 -1.58 -0.31 0.00 -1.00 0.00 0.00 55.97 53.45 1s9f s LYS 56 Cb -0.10 0.37 -0.15 0.00 -2.06 0.00 0.00 37.83 35.89 1s9f s LYS 56 CO 0.24 -0.57 1.15 0.00 0.10 0.00 0.00 175.35 176.27 1s9f n ALA 57 N -0.40 -0.20 0.00 0.59 0.00 -1.26 -3.10 120.51 116.14 1s9f n ALA 57 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1s9f n ALA 57 Cb 0.63 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1s9f n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9f n GLY 58 N 1.73 3.42 3.89 0.00 0.00 0.22 -4.97 105.19 109.47 1s9f n GLY 58 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1s9f n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s9f s ILE 59 N -2.92 4.84 0.46 -0.61 -4.36 -1.18 -4.71 121.20 112.71 1s9f s ILE 59 Ca 0.00 0.47 -0.25 0.00 -0.26 0.00 0.00 60.65 60.61 1s9f s ILE 59 Cb 0.00 -3.77 -0.08 0.00 1.25 0.00 0.00 42.46 39.87 1s9f s ILE 59 CO 0.00 -0.59 1.39 -2.84 0.24 0.00 0.00 174.94 173.14 1s9f s PRO 60 N -4.05 3.61 0.33 0.37 0.02 -1.26 -0.92 135.00 133.10 1s9f s PRO 60 Ca 0.50 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.86 1s9f s PRO 60 Cb -0.10 -2.58 0.55 0.00 0.02 0.00 0.00 34.50 32.39 1s9f s PRO 60 CO 0.35 -0.85 1.96 0.82 -0.33 0.00 0.00 177.00 178.95 1s9f h ILE 61 N 2.14 1.19 -0.02 2.83 2.04 -1.60 -1.18 117.51 122.91 1s9f h ILE 61 Ca -0.51 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1s9f h ILE 61 Cb 1.27 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1s9f h ILE 61 CO 0.60 0.20 -0.32 -0.37 0.00 0.00 0.00 178.15 178.26 1s9f h VAL 62 N 0.88 1.24 -0.27 1.67 -1.51 -1.83 -1.17 116.25 115.26 1s9f h VAL 62 Ca 0.23 -1.13 -0.07 0.00 -1.23 0.00 0.00 66.70 64.50 1s9f h VAL 62 Cb -0.01 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1s9f h VAL 62 CO -0.04 0.33 -0.10 -0.08 -1.23 0.00 0.00 177.57 176.44 1s9f h GLU 63 N 0.03 0.55 -0.65 5.19 4.57 -1.61 -2.58 114.58 120.08 1s9f h GLU 63 Ca 0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1s9f h GLU 63 Cb 0.58 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1s9f h GLU 63 CO 0.04 0.78 0.35 0.00 -1.18 0.00 0.00 179.01 179.00 1s9f h ALA 64 N 0.75 0.83 0.00 2.92 0.00 -0.79 -2.25 119.26 120.72 1s9f h ALA 64 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1s9f h ALA 64 Cb 0.60 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s9f h ALA 64 CO 0.03 0.35 -0.08 0.87 0.00 0.00 0.00 179.25 180.42 1s9f h LYS 65 N 0.88 0.00 -0.12 0.00 1.57 -1.15 0.38 116.57 118.14 1s9f h LYS 65 Ca 0.23 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1s9f h LYS 65 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1s9f h LYS 65 CO -0.04 0.08 -0.69 0.87 -0.57 0.00 0.00 179.45 179.11 1s9f h LYS 66 N 0.00 0.50 0.01 3.15 1.57 -1.00 -2.49 116.57 118.31 1s9f h LYS 66 Ca -0.00 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1s9f h LYS 66 Cb 0.20 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s9f h LYS 66 CO 0.01 1.01 -0.12 0.82 -0.57 0.00 0.00 179.45 180.60 1s9f h ILE 67 N 0.35 1.66 -2.50 1.86 2.04 -1.06 -3.41 117.51 116.46 1s9f h ILE 67 Ca -0.02 -2.08 -0.60 0.00 1.00 0.00 0.00 64.86 63.16 1s9f h ILE 67 Cb 1.27 3.04 -0.40 0.00 -0.74 0.00 0.00 36.82 39.99 1s9f h ILE 67 CO 0.13 0.55 -0.79 0.18 0.00 0.00 0.00 178.15 178.22 1s9f n LEU 68 N -4.59 1.66 0.33 1.44 4.77 0.03 -4.95 117.00 115.69 1s9f n LEU 68 Ca -0.10 -4.93 0.22 0.00 -0.03 0.00 0.00 56.01 51.17 1s9f n LEU 68 Cb 0.47 -0.11 1.13 0.00 -2.33 0.00 0.00 43.42 42.58 1s9f n LEU 68 CO 0.36 1.91 1.15 1.55 -1.33 0.00 0.00 177.39 181.03 1s9f h PRO 69 N 4.95 0.00 -0.68 3.23 0.13 -1.65 -2.35 132.00 135.63 1s9f h PRO 69 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1s9f h PRO 69 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1s9f h PRO 69 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 1s9f n ASN 70 N -3.09 4.07 -4.78 1.44 5.03 -1.26 -4.97 115.26 111.69 1s9f n ASN 70 Ca -0.02 -2.12 -0.29 0.00 0.87 0.00 0.00 54.58 53.02 1s9f n ASN 70 Cb 0.11 -0.49 0.12 0.00 -1.02 0.00 0.00 39.78 38.50 1s9f n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s9f s ALA 71 N -1.22 1.90 -0.31 5.41 0.00 -0.88 -4.93 121.76 121.73 1s9f s ALA 71 Ca 0.48 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1s9f s ALA 71 Cb 0.26 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1s9f s ALA 71 CO 0.30 -2.11 0.42 0.08 0.00 0.00 0.00 175.76 174.45 1s9f s VAL 72 N -3.20 5.12 -0.37 0.00 1.01 -0.50 -5.00 120.40 117.46 1s9f s VAL 72 Ca 0.63 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 1s9f s VAL 72 Cb -0.15 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1s9f s VAL 72 CO 0.54 -0.02 0.25 -0.31 0.00 0.00 0.00 175.10 175.56 1s9f s TYR 73 N 2.17 3.23 -0.02 5.22 2.02 -1.26 -0.77 117.35 127.94 1s9f s TYR 73 Ca 0.16 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 1s9f s TYR 73 Cb -0.16 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 1s9f s TYR 73 CO 0.11 -0.51 -0.15 -0.51 -1.57 0.00 0.00 175.55 172.92 1s9f s LEU 74 N 1.66 2.73 0.44 -1.29 1.43 0.24 -4.98 118.68 118.91 1s9f s LEU 74 Ca 0.05 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1s9f s LEU 74 Cb -0.18 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.39 1s9f s LEU 74 CO 0.09 0.32 1.08 -2.16 0.23 0.00 0.00 176.35 175.91 1s9f s PRO 75 N -0.94 3.96 0.19 1.29 0.04 -1.26 0.38 135.00 138.66 1s9f s PRO 75 Ca 0.13 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1s9f s PRO 75 Cb -0.11 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1s9f s PRO 75 CO 0.02 -0.33 1.37 1.41 0.04 0.00 0.00 177.00 179.51 1s9f s MET 76 N -2.73 4.34 -0.65 4.56 1.75 0.02 -4.73 119.30 121.86 1s9f s MET 76 Ca 0.62 2.13 0.06 0.00 -1.25 0.00 0.00 55.69 57.24 1s9f s MET 76 Cb -0.22 -3.18 0.26 0.00 2.84 0.00 0.00 34.83 34.52 1s9f s MET 76 CO 0.28 -0.34 0.78 0.54 -0.65 0.00 0.00 175.02 175.63 1s9f n ARG 77 N 2.88 2.64 -0.29 4.11 1.74 -1.26 -4.96 116.66 121.52 1s9f n ARG 77 Ca 0.08 -4.69 0.11 0.00 -0.77 0.00 0.00 57.85 52.57 1s9f n ARG 77 Cb 0.42 -2.27 0.25 0.00 -1.02 0.00 0.00 32.46 29.84 1s9f n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s9f h LYS 78 N 4.13 0.13 -0.89 5.56 1.63 -1.99 -0.95 116.57 124.18 1s9f h LYS 78 Ca 0.20 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1s9f h LYS 78 Cb 0.65 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 1s9f h LYS 78 CO 0.85 0.09 0.58 0.93 -3.45 0.00 0.00 179.45 178.45 1s9f h GLU 79 N 0.13 1.11 -0.06 1.90 3.07 -1.99 0.39 114.58 119.13 1s9f h GLU 79 Ca 0.52 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1s9f h GLU 79 Cb 1.01 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1s9f h GLU 79 CO -0.71 0.73 0.01 0.28 -1.40 0.00 0.00 179.01 177.92 1s9f h VAL 80 N 1.14 1.23 -0.92 3.13 2.07 -1.62 -1.81 116.25 119.47 1s9f h VAL 80 Ca 0.35 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1s9f h VAL 80 Cb -0.04 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1s9f h VAL 80 CO -0.10 0.19 0.56 1.88 0.02 0.00 0.00 177.57 180.12 1s9f h TYR 81 N -0.16 1.20 -0.67 1.57 0.05 -0.99 -1.66 116.97 116.32 1s9f h TYR 81 Ca 0.02 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1s9f h TYR 81 Cb 0.30 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1s9f h TYR 81 CO 0.02 0.79 0.24 0.37 -1.05 0.00 0.00 178.16 178.54 1s9f h GLN 82 N 1.26 1.00 -0.21 4.88 5.75 -0.84 0.64 115.11 127.59 1s9f h GLN 82 Ca 0.33 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1s9f h GLN 82 Cb -0.07 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 1s9f h GLN 82 CO -0.06 0.83 0.06 0.37 -2.65 0.00 0.00 178.83 177.38 1s9f h GLN 83 N 0.98 0.33 -0.44 1.69 5.75 -0.68 -1.05 115.11 121.69 1s9f h GLN 83 Ca 0.22 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1s9f h GLN 83 Cb 0.22 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1s9f h GLN 83 CO -0.02 0.44 0.12 0.28 -2.65 0.00 0.00 178.83 177.00 1s9f h VAL 84 N 0.17 1.23 -0.38 2.39 2.07 -1.09 -2.65 116.25 117.99 1s9f h VAL 84 Ca 0.07 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.86 1s9f h VAL 84 Cb 0.25 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1s9f h VAL 84 CO -0.00 0.28 0.12 -1.28 0.02 0.00 0.00 177.57 176.70 1s9f h SER 85 N 0.57 0.11 -0.63 0.57 0.87 -0.72 -1.67 113.55 112.64 1s9f h SER 85 Ca 0.14 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1s9f h SER 85 Cb 0.30 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1s9f h SER 85 CO -0.00 0.10 0.35 0.77 -0.53 0.00 0.00 176.83 177.52 1s9f h SER 86 N 0.27 0.79 -0.58 6.23 4.64 -1.04 0.20 113.55 124.05 1s9f h SER 86 Ca 0.18 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1s9f h SER 86 Cb 0.17 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1s9f h SER 86 CO -0.19 0.64 0.05 0.03 -0.87 0.00 0.00 176.83 176.48 1s9f h ARG 87 N 0.90 0.99 -0.39 4.77 3.08 -1.06 -0.07 114.38 122.59 1s9f h ARG 87 Ca 0.23 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1s9f h ARG 87 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1s9f h ARG 87 CO -0.04 0.96 -0.13 0.82 -1.07 0.00 0.00 179.97 180.51 1s9f h ILE 88 N 0.89 1.28 -0.27 2.04 2.04 -0.61 -2.04 117.51 120.84 1s9f h ILE 88 Ca 0.17 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1s9f h ILE 88 Cb 0.48 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1s9f h ILE 88 CO 0.02 0.41 0.07 0.24 0.00 0.00 0.00 178.15 178.89 1s9f h MET 89 N 0.59 0.38 -0.26 2.37 2.86 -0.42 -0.76 114.93 119.70 1s9f h MET 89 Ca 0.10 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1s9f h MET 89 Cb 0.67 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1s9f h MET 89 CO 0.05 0.36 -0.37 -0.91 1.06 0.00 0.00 176.91 177.09 1s9f h ASN 90 N 0.38 0.61 -0.67 1.22 2.35 -0.67 -1.37 115.58 117.44 1s9f h ASN 90 Ca 0.09 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 1s9f h ASN 90 Cb 0.15 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1s9f h ASN 90 CO -0.00 0.93 0.27 -0.07 -1.65 0.00 0.00 177.43 176.90 1s9f h LEU 91 N 0.49 0.91 -0.97 1.61 3.38 -0.47 -2.79 115.31 117.47 1s9f h LEU 91 Ca 0.05 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1s9f h LEU 91 Cb 0.87 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1s9f h LEU 91 CO 0.07 0.83 -0.16 -0.07 0.09 0.00 0.00 178.44 179.20 1s9f h LEU 92 N 0.94 0.56 -2.67 1.67 3.38 -0.96 -2.52 115.31 115.70 1s9f h LEU 92 Ca 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1s9f h LEU 92 Cb 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1s9f h LEU 92 CO -0.02 0.74 -0.01 0.03 0.09 0.00 0.00 178.44 179.27 1s9f h ARG 93 N 0.51 0.00 0.00 1.13 3.08 -0.97 -0.49 114.38 117.64 1s9f h ARG 93 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1s9f h ARG 93 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1s9f h ARG 93 CO 0.04 0.01 -0.31 0.93 -1.07 0.00 0.00 179.97 179.57 1s9f h GLU 94 N 0.00 0.00 0.00 0.04 5.08 -1.41 -3.10 114.58 115.18 1s9f h GLU 94 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1s9f h GLU 94 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s9f h GLU 94 CO 0.00 0.31 -0.79 1.88 -1.00 0.00 0.00 179.01 179.40 1s9f h TYR 95 N 0.00 0.00 -1.36 4.33 0.05 -1.19 -3.46 116.97 115.33 1s9f h TYR 95 Ca -0.00 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.91 1s9f h TYR 95 Cb 0.86 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.34 1s9f h TYR 95 CO 0.00 0.07 0.31 0.45 -1.05 0.00 0.00 178.16 177.94 1s9f s SER 96 N -5.64 -0.55 0.37 3.88 0.15 -1.16 -4.97 113.70 105.78 1s9f s SER 96 Ca 0.01 0.83 0.16 0.00 0.70 0.00 0.00 55.95 57.66 1s9f s SER 96 Cb 0.08 1.41 0.72 0.00 -1.71 0.00 0.00 66.02 66.51 1s9f s SER 96 CO 0.76 -0.13 1.78 1.05 1.20 0.00 0.00 173.24 177.90 1s9f h GLU 97 N 6.65 0.00 -5.41 5.44 9.09 -1.90 -3.33 114.58 125.12 1s9f h GLU 97 Ca -0.23 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 58.48 1s9f h GLU 97 Cb 1.16 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.17 1s9f h GLU 97 CO 0.15 0.39 2.15 1.63 0.05 0.00 0.00 179.01 183.38 1s9f n LYS 98 N -3.77 3.21 -4.74 1.06 5.02 -1.26 -4.93 118.16 112.74 1s9f n LYS 98 Ca -0.01 -3.32 -0.24 0.00 -2.02 0.00 0.00 58.31 52.72 1s9f n LYS 98 Cb 0.47 -3.38 -0.15 0.00 -0.02 0.00 0.00 35.03 31.95 1s9f n LYS 98 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1s9f s ILE 99 N 3.55 1.38 -0.25 -0.18 2.07 -1.25 -0.66 121.20 125.86 1s9f s ILE 99 Ca 0.51 -0.83 0.01 0.00 -1.41 0.00 0.00 60.65 58.93 1s9f s ILE 99 Cb 0.04 -1.16 0.06 0.00 0.13 0.00 0.00 42.46 41.53 1s9f s ILE 99 CO 0.05 0.31 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.64 1s9f s GLU 100 N -0.60 1.68 -0.58 3.50 2.12 0.12 -4.30 118.70 120.64 1s9f s GLU 100 Ca 0.06 -1.09 -0.25 0.00 0.36 0.00 0.00 54.97 54.05 1s9f s GLU 100 Cb -0.07 -2.65 0.04 0.00 0.26 0.00 0.00 34.13 31.71 1s9f s GLU 100 CO -0.00 -0.62 1.02 0.42 -0.54 0.00 0.00 175.26 175.54 1s9f s ILE 101 N 1.33 4.25 0.13 -3.70 1.01 -1.26 0.32 121.20 123.28 1s9f s ILE 101 Ca -0.05 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 1s9f s ILE 101 Cb -0.19 -4.62 -0.20 0.00 0.01 0.00 0.00 42.46 37.47 1s9f s ILE 101 CO -0.07 -1.23 1.29 0.00 0.00 0.00 0.00 174.94 174.93 1s9f h ALA 102 N 9.42 0.35 -2.70 9.38 0.00 -1.48 -3.43 119.26 130.80 1s9f h ALA 102 Ca -0.26 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 53.89 1s9f h ALA 102 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1s9f h ALA 102 CO 1.13 0.91 0.29 -1.13 0.00 0.00 0.00 179.25 180.46 1s9f n SER 103 N -3.64 -1.77 0.17 0.00 3.41 -1.09 -4.97 113.62 105.73 1s9f n SER 103 Ca -0.06 -2.16 0.19 0.00 -0.26 0.00 0.00 58.87 56.57 1s9f n SER 103 Cb 0.88 2.94 0.80 0.00 -0.26 0.00 0.00 64.21 68.57 1s9f n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1s9f h ILE 104 N 1.81 0.33 0.00 -1.33 2.10 -2.01 -2.84 117.51 115.57 1s9f h ILE 104 Ca -0.26 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.61 1s9f h ILE 104 Cb 1.01 0.72 -0.15 0.00 -1.09 0.00 0.00 36.82 37.31 1s9f h ILE 104 CO 0.34 0.00 -0.63 -0.90 -1.08 0.00 0.00 178.15 175.88 1s9f n ASP 105 N -3.59 1.03 -3.84 2.19 5.75 -1.26 -4.77 116.55 112.06 1s9f n ASP 105 Ca 0.04 -2.51 -0.12 0.00 -0.01 0.00 0.00 54.79 52.18 1s9f n ASP 105 Cb 0.47 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 40.10 1s9f n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1s9f s GLU 106 N -1.01 0.10 -0.08 0.11 2.02 -1.07 -1.56 118.70 117.21 1s9f s GLU 106 Ca 0.24 0.13 -0.14 0.00 0.02 0.00 0.00 54.97 55.22 1s9f s GLU 106 Cb 0.26 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.56 1s9f s GLU 106 CO -0.07 -0.02 0.34 0.00 0.02 0.00 0.00 175.26 175.53 1s9f s ALA 107 N 0.08 -0.85 -0.15 5.21 0.00 -0.82 -1.12 121.76 124.11 1s9f s ALA 107 Ca -0.00 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 1s9f s ALA 107 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1s9f s ALA 107 CO -0.00 -0.21 -0.02 0.71 0.00 0.00 0.00 175.76 176.24 1s9f s TYR 108 N -0.54 3.08 -0.13 0.00 2.02 0.15 -1.04 117.35 120.89 1s9f s TYR 108 Ca -0.06 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 1s9f s TYR 108 Cb -0.04 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1s9f s TYR 108 CO 0.02 0.07 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.37 1s9f s LEU 109 N 0.16 2.23 -0.58 -1.29 1.02 0.14 0.11 118.68 120.47 1s9f s LEU 109 Ca -0.00 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.39 1s9f s LEU 109 Cb -0.13 -1.47 0.07 0.00 0.02 0.00 0.00 46.19 44.67 1s9f s LEU 109 CO 0.02 0.10 0.79 -0.62 0.02 0.00 0.00 176.35 176.67 1s9f s ASP 110 N 0.69 6.21 -0.32 2.29 3.68 0.16 -0.12 116.67 129.27 1s9f s ASP 110 Ca -0.09 -1.00 0.09 0.00 2.13 0.00 0.00 52.55 53.68 1s9f s ASP 110 Cb -0.16 -2.35 0.60 0.00 -1.45 0.00 0.00 42.92 39.56 1s9f s ASP 110 CO 0.01 -1.16 1.64 2.30 0.13 0.00 0.00 175.17 178.09 1s9f n ILE 111 N 5.77 2.75 -0.17 4.11 -5.35 -1.01 -4.60 119.36 120.87 1s9f n ILE 111 Ca -0.05 -2.19 -0.06 0.00 -0.27 0.00 0.00 62.75 60.18 1s9f n ILE 111 Cb 0.45 -0.35 0.04 0.00 -1.74 0.00 0.00 39.64 38.03 1s9f n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1s9f h SER 112 N 1.47 0.49 0.09 7.28 0.02 -1.89 -1.47 113.55 119.53 1s9f h SER 112 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1s9f h SER 112 Cb 2.06 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1s9f h SER 112 CO 0.61 0.34 0.00 0.47 -1.14 0.00 0.00 176.83 177.11 1s9f n ASP 113 N -4.80 0.00 -0.06 3.07 8.00 -1.26 -3.39 116.55 118.11 1s9f n ASP 113 Ca 0.03 -0.64 -0.01 0.00 0.71 0.00 0.00 54.79 54.88 1s9f n ASP 113 Cb 0.08 -0.06 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 1s9f n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s9f n LYS 114 N -1.06 0.88 -4.37 -1.24 4.76 -0.58 -5.04 118.16 111.50 1s9f n LYS 114 Ca 0.17 -0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.33 1s9f n LYS 114 Cb 0.11 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 31.75 1s9f n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s9f s VAL 115 N -2.80 0.41 -0.07 -0.18 -7.23 -1.04 -5.06 120.40 104.43 1s9f s VAL 115 Ca -0.08 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.01 1s9f s VAL 115 Cb 0.08 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1s9f s VAL 115 CO 0.76 0.00 -0.16 0.54 -0.31 0.00 0.00 175.10 175.93 1s9f n ARG 116 N -0.65 0.24 -1.92 4.82 1.74 -1.26 -4.86 116.66 114.76 1s9f n ARG 116 Ca -0.00 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1s9f n ARG 116 Cb 0.65 -0.88 -0.00 0.00 -1.02 0.00 0.00 32.46 31.20 1s9f n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1s9f n ASP 117 N -3.53 1.67 0.12 0.55 3.85 -1.26 -5.04 116.55 112.92 1s9f n ASP 117 Ca -0.06 -1.10 -0.01 0.00 -0.71 0.00 0.00 54.79 52.90 1s9f n ASP 117 Cb 0.24 0.01 0.07 0.00 -1.35 0.00 0.00 41.12 40.09 1s9f n ASP 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1s9f h TYR 118 N 0.81 0.00 -0.73 2.11 0.05 -1.98 -2.37 116.97 114.86 1s9f h TYR 118 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1s9f h TYR 118 Cb 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1s9f h TYR 118 CO 0.00 0.68 0.46 -0.09 -1.05 0.00 0.00 178.16 178.16 1s9f h ARG 119 N 0.00 0.97 0.04 4.88 2.43 -1.99 0.17 114.38 120.89 1s9f h ARG 119 Ca -0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1s9f h ARG 119 Cb 1.36 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1s9f h ARG 119 CO 0.09 0.65 -0.02 0.93 -1.51 0.00 0.00 179.97 180.11 1s9f h GLU 120 N 0.99 -0.06 -0.88 0.20 5.08 -1.96 -2.55 114.58 115.40 1s9f h GLU 120 Ca 0.26 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.85 1s9f h GLU 120 Cb -0.09 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.05 1s9f h GLU 120 CO -0.05 0.55 0.34 0.00 -1.00 0.00 0.00 179.01 178.85 1s9f h ALA 121 N 0.11 1.38 -0.28 3.43 0.00 -1.05 0.45 119.26 123.30 1s9f h ALA 121 Ca -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s9f h ALA 121 Cb 0.64 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1s9f h ALA 121 CO 0.01 -0.39 0.17 -0.92 0.00 0.00 0.00 179.25 178.12 1s9f h TYR 122 N 0.33 0.37 -0.73 0.00 3.20 -0.65 -0.31 116.97 119.19 1s9f h TYR 122 Ca 0.56 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.40 1s9f h TYR 122 Cb 1.08 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 1s9f h TYR 122 CO -0.18 0.28 0.36 -0.91 -1.64 0.00 0.00 178.16 176.07 1s9f h ASN 123 N 0.36 0.93 -0.52 -2.11 2.35 0.18 -1.11 115.58 115.66 1s9f h ASN 123 Ca 0.10 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1s9f h ASN 123 Cb 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1s9f h ASN 123 CO -0.02 0.78 -0.01 0.25 -1.65 0.00 0.00 177.43 176.78 1s9f h LEU 124 N 1.03 0.95 -0.72 1.61 5.85 -0.30 -1.57 115.31 122.16 1s9f h LEU 124 Ca 0.25 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1s9f h LEU 124 Cb 0.09 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1s9f h LEU 124 CO -0.03 1.01 0.47 1.23 -0.34 0.00 0.00 178.44 180.78 1s9f h GLY 125 N 0.99 1.02 1.08 3.75 0.00 -0.21 0.11 103.07 109.80 1s9f h GLY 125 Ca 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1s9f h GLY 125 CO 0.03 0.35 0.47 -2.00 0.00 0.00 0.00 176.54 175.38 1s9f h LEU 126 N 0.95 1.08 -0.36 3.11 5.85 -0.85 -0.43 115.31 124.66 1s9f h LEU 126 Ca 0.27 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1s9f h LEU 126 Cb -0.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 1s9f h LEU 126 CO -0.07 0.87 0.09 -0.08 -0.34 0.00 0.00 178.44 178.91 1s9f h GLU 127 N 1.21 0.58 -0.28 1.25 4.22 -0.27 -0.26 114.58 121.03 1s9f h GLU 127 Ca 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.60 1s9f h GLU 127 Cb 0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1s9f h GLU 127 CO -0.05 0.62 0.16 0.82 -2.18 0.00 0.00 179.01 178.38 1s9f h ILE 128 N 0.43 1.12 -0.35 2.32 2.04 -0.41 0.64 117.51 123.30 1s9f h ILE 128 Ca 0.11 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1s9f h ILE 128 Cb 0.30 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1s9f h ILE 128 CO 0.00 0.12 0.20 0.11 0.00 0.00 0.00 178.15 178.57 1s9f h LYS 129 N 0.34 0.39 -0.60 2.37 1.57 -0.90 -1.72 116.57 118.03 1s9f h LYS 129 Ca 0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1s9f h LYS 129 Cb 0.05 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1s9f h LYS 129 CO -0.02 0.26 0.23 -0.91 -0.57 0.00 0.00 179.45 178.45 1s9f h ASN 130 N 0.41 0.79 -0.25 0.86 -0.26 -0.78 -2.10 115.58 114.25 1s9f h ASN 130 Ca 0.14 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1s9f h ASN 130 Cb 0.01 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 1s9f h ASN 130 CO -0.07 0.72 0.04 0.50 -1.06 0.00 0.00 177.43 177.56 1s9f h LYS 131 N 0.86 0.42 -0.15 0.81 1.63 -0.37 -0.55 116.57 119.20 1s9f h LYS 131 Ca 0.20 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 1s9f h LYS 131 Cb 0.17 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1s9f h LYS 131 CO -0.02 0.54 -0.22 0.82 -3.45 0.00 0.00 179.45 177.12 1s9f h ILE 132 N 0.23 1.23 -0.18 2.00 2.04 -1.20 -0.28 117.51 121.34 1s9f h ILE 132 Ca 0.08 -1.05 -0.20 0.00 1.00 0.00 0.00 64.86 64.69 1s9f h ILE 132 Cb 0.32 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1s9f h ILE 132 CO 0.00 0.32 -0.67 0.25 0.00 0.00 0.00 178.15 178.06 1s9f h LEU 133 N 0.24 0.82 -0.32 1.44 5.85 -1.20 0.58 115.31 122.73 1s9f h LEU 133 Ca 0.04 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1s9f h LEU 133 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1s9f h LEU 133 CO 0.04 1.27 -0.07 -0.08 -0.34 0.00 0.00 178.44 179.25 1s9f h GLU 134 N 0.51 0.61 0.20 1.25 4.81 -0.68 -0.66 114.58 120.62 1s9f h GLU 134 Ca -0.02 -0.23 -0.27 0.00 -0.13 0.00 0.00 59.36 58.70 1s9f h GLU 134 Cb 1.27 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.64 1s9f h GLU 134 CO 0.13 0.79 -1.21 0.87 -0.73 0.00 0.00 179.01 178.86 1s9f h LYS 135 N 0.39 0.43 0.00 1.92 1.79 -1.07 -3.41 116.57 116.62 1s9f h LYS 135 Ca 0.08 -0.74 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 1s9f h LYS 135 Cb 0.57 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1s9f h LYS 135 CO 0.03 1.35 0.00 0.39 -1.08 0.00 0.00 179.45 180.15 1s9f n GLU 136 N -3.89 1.32 -2.44 3.15 -0.58 0.16 -5.01 120.64 113.36 1s9f n GLU 136 Ca -0.16 -0.30 -0.21 0.00 -0.42 0.00 0.00 57.16 56.07 1s9f n GLU 136 Cb 0.98 -0.78 -0.01 0.00 -0.57 0.00 0.00 31.44 31.07 1s9f n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s9f n LYS 137 N -0.27 -1.91 -4.44 3.49 4.01 -0.26 -4.97 118.16 113.80 1s9f n LYS 137 Ca 0.00 0.99 -0.34 0.00 -0.51 0.00 0.00 58.31 58.46 1s9f n LYS 137 Cb 0.02 -5.66 -0.12 0.00 -0.51 0.00 0.00 35.03 28.76 1s9f n LYS 137 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1s9f s ILE 138 N -3.04 3.87 0.18 -0.18 -1.09 -1.23 -4.96 121.20 114.74 1s9f s ILE 138 Ca 0.02 -0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 1s9f s ILE 138 Cb -0.01 -2.67 -0.07 0.00 -1.58 0.00 0.00 42.46 38.13 1s9f s ILE 138 CO 0.03 0.52 0.53 0.42 -1.23 0.00 0.00 174.94 175.21 1s9f s THR 139 N 0.12 4.92 0.17 2.92 -4.23 -1.26 -3.77 115.64 114.50 1s9f s THR 139 Ca -0.01 0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1s9f s THR 139 Cb -0.14 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1s9f s THR 139 CO 0.03 0.09 0.11 0.68 -0.54 0.00 0.00 174.62 174.98 1s9f s VAL 140 N -1.64 0.04 -0.06 2.29 -7.23 -1.26 -2.16 120.40 110.39 1s9f s VAL 140 Ca 0.42 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1s9f s VAL 140 Cb -0.13 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1s9f s VAL 140 CO 0.20 -0.20 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.71 1s9f s THR 141 N -4.11 2.58 -0.10 5.32 2.01 0.03 -3.65 115.64 117.72 1s9f s THR 141 Ca 0.32 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1s9f s THR 141 Cb 0.07 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1s9f s THR 141 CO 0.08 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.75 1s9f s VAL 142 N -0.40 3.06 -0.08 3.82 1.01 -0.58 -0.90 120.40 126.33 1s9f s VAL 142 Ca 0.04 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1s9f s VAL 142 Cb -0.12 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1s9f s VAL 142 CO 0.02 0.55 -0.24 -0.83 0.00 0.00 0.00 175.10 174.60 1s9f s GLY 143 N -0.11 1.31 -0.06 4.51 0.00 0.15 -1.24 107.32 111.88 1s9f s GLY 143 Ca -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1s9f s GLY 143 CO 0.04 -0.48 -0.08 -0.42 0.00 0.00 0.00 173.10 172.16 1s9f s ILE 144 N 0.10 0.84 0.00 0.90 1.01 0.34 0.19 121.20 124.58 1s9f s ILE 144 Ca -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1s9f s ILE 144 Cb -0.16 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1s9f s ILE 144 CO 0.06 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 175.06 1s9f n SER 145 N 4.06 0.00 0.05 3.58 2.88 -1.07 0.08 113.62 123.20 1s9f n SER 145 Ca -0.22 -0.26 0.12 0.00 -1.33 0.00 0.00 58.87 57.18 1s9f n SER 145 Cb 0.51 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.22 1s9f n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s9f n LYS 146 N 0.00 0.20 -4.01 -1.46 2.85 -1.26 -1.74 118.16 112.74 1s9f n LYS 146 Ca 0.00 0.07 -0.10 0.00 -1.05 0.00 0.00 58.31 57.24 1s9f n LYS 146 Cb 0.00 -1.64 -0.05 0.00 -0.65 0.00 0.00 35.03 32.69 1s9f n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s9f s ASN 147 N -3.88 0.03 0.13 -5.58 2.20 -1.26 -4.56 114.94 102.01 1s9f s ASN 147 Ca 0.08 -1.02 -0.19 0.00 -0.94 0.00 0.00 52.86 50.79 1s9f s ASN 147 Cb 0.15 0.59 -0.04 0.00 -2.00 0.00 0.00 41.25 39.95 1s9f s ASN 147 CO 0.69 -1.16 1.74 0.11 -2.94 0.00 0.00 177.10 175.54 1s9f h LYS 148 N 2.25 0.15 -0.14 3.55 1.57 -1.93 -0.51 116.57 121.50 1s9f h LYS 148 Ca -0.27 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1s9f h LYS 148 Cb 1.25 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 1s9f h LYS 148 CO 0.37 0.10 -0.10 0.28 -0.57 0.00 0.00 179.45 179.52 1s9f h VAL 149 N 0.15 0.69 0.00 0.50 2.07 -1.97 -0.00 116.25 117.69 1s9f h VAL 149 Ca 0.09 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1s9f h VAL 149 Cb 0.07 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1s9f h VAL 149 CO -0.10 0.00 -0.43 -0.26 0.02 0.00 0.00 177.57 176.80 1s9f h PHE 150 N -0.11 0.00 -0.64 1.57 0.04 -1.97 -0.83 116.94 115.01 1s9f h PHE 150 Ca 0.09 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 1s9f h PHE 150 Cb 0.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1s9f h PHE 150 CO -0.23 0.43 0.07 0.00 -0.60 0.00 0.00 178.31 177.97 1s9f h ALA 151 N 1.57 0.85 -0.33 2.45 0.00 -0.51 -0.39 119.26 122.91 1s9f h ALA 151 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1s9f h ALA 151 Cb 0.96 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1s9f h ALA 151 CO 0.06 0.64 -0.12 -0.22 0.00 0.00 0.00 179.25 179.61 1s9f h LYS 152 N 0.99 0.66 -0.83 0.00 3.64 -0.58 -2.63 116.57 117.82 1s9f h LYS 152 Ca 0.19 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1s9f h LYS 152 Cb 0.48 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1s9f h LYS 152 CO 0.02 0.86 0.53 0.82 -2.27 0.00 0.00 179.45 179.40 1s9f h ILE 153 N 0.43 1.22 -0.44 2.00 2.04 -0.94 -0.21 117.51 121.62 1s9f h ILE 153 Ca 0.08 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.56 1s9f h ILE 153 Cb 0.64 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1s9f h ILE 153 CO 0.04 0.22 0.10 0.00 0.00 0.00 0.00 178.15 178.52 1s9f h ALA 154 N 1.29 0.49 -0.46 1.87 0.00 -0.90 -1.07 119.26 120.48 1s9f h ALA 154 Ca 0.30 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1s9f h ALA 154 Cb -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1s9f h ALA 154 CO -0.06 -0.30 0.08 0.00 0.00 0.00 0.00 179.25 178.97 1s9f h ALA 155 N 1.32 0.61 -0.84 0.00 0.00 -1.04 -2.06 119.26 117.24 1s9f h ALA 155 Ca 0.21 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1s9f h ALA 155 Cb 0.25 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1s9f h ALA 155 CO -0.26 0.33 0.55 -0.44 0.00 0.00 0.00 179.25 179.42 1s9f h ASP 156 N 0.63 0.55 0.43 0.00 3.45 -0.28 0.82 116.42 122.02 1s9f h ASP 156 Ca 0.14 0.03 -0.22 0.00 0.43 0.00 0.00 57.03 57.41 1s9f h ASP 156 Cb 0.37 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1s9f h ASP 156 CO 0.01 0.28 -0.94 0.24 -1.57 0.00 0.00 179.24 177.25 1s9f h MET 157 N 0.58 0.34 0.00 3.56 2.86 -0.78 -3.35 114.93 118.14 1s9f h MET 157 Ca 0.42 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1s9f h MET 157 Cb 0.78 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1s9f h MET 157 CO -0.17 1.07 -1.08 0.00 1.06 0.00 0.00 176.91 177.78 1s9f n ALA 158 N -2.52 3.09 -1.76 6.32 0.00 -0.56 -4.97 120.51 120.12 1s9f n ALA 158 Ca -0.06 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 1s9f n ALA 158 Cb 0.84 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.32 1s9f n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1s9f s LYS 159 N -3.27 3.31 0.57 0.00 -2.85 0.18 -3.84 119.74 113.83 1s9f s LYS 159 Ca 0.02 2.11 0.01 0.00 -1.00 0.00 0.00 55.97 57.11 1s9f s LYS 159 Cb 0.13 -2.30 0.04 0.00 -2.06 0.00 0.00 37.83 33.65 1s9f s LYS 159 CO 0.80 -1.02 0.80 -1.25 0.10 0.00 0.00 175.35 174.78 1s9f s PRO 160 N -2.85 2.47 -1.40 1.78 0.04 -1.26 -4.96 135.00 128.81 1s9f s PRO 160 Ca 0.69 -0.80 -0.07 0.00 0.04 0.00 0.00 61.00 60.87 1s9f s PRO 160 Cb -0.37 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.70 1s9f s PRO 160 CO 0.44 -0.78 0.34 -1.71 0.04 0.00 0.00 177.00 175.33 1s9f n ASN 161 N -2.39 -0.86 -1.66 6.66 4.05 -1.26 -4.95 115.26 114.85 1s9f n ASN 161 Ca 0.09 -1.14 -0.04 0.00 0.45 0.00 0.00 54.58 53.93 1s9f n ASN 161 Cb 0.60 -2.40 -0.01 0.00 1.23 0.00 0.00 39.78 39.20 1s9f n ASN 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s9f n GLY 162 N -2.18 3.89 3.64 8.20 0.00 -1.24 -4.98 105.19 112.51 1s9f n GLY 162 Ca -0.27 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1s9f n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s9f s ILE 163 N -2.02 0.00 -0.10 -0.61 2.07 -1.26 -1.52 121.20 117.76 1s9f s ILE 163 Ca 0.05 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.22 1s9f s ILE 163 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.63 1s9f s ILE 163 CO 0.04 0.00 0.26 -0.75 -1.91 0.00 0.00 174.94 172.57 1s9f s LYS 164 N 1.14 0.27 -0.10 3.50 2.47 -0.37 -4.96 119.74 121.68 1s9f s LYS 164 Ca -0.06 0.43 -0.01 0.00 -1.56 0.00 0.00 55.97 54.77 1s9f s LYS 164 Cb -0.05 0.04 -0.03 0.00 -1.46 0.00 0.00 37.83 36.34 1s9f s LYS 164 CO -0.12 -0.09 -0.06 0.08 0.16 0.00 0.00 175.35 175.32 1s9f s VAL 165 N 0.58 3.72 -0.41 4.02 1.01 -1.26 -0.50 120.40 127.56 1s9f s VAL 165 Ca -0.04 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1s9f s VAL 165 Cb -0.05 -2.56 0.11 0.00 0.00 0.00 0.00 36.38 33.88 1s9f s VAL 165 CO -0.03 0.56 0.14 -0.63 0.00 0.00 0.00 175.10 175.14 1s9f s ILE 166 N -0.30 2.29 1.03 2.22 1.01 0.11 -4.96 121.20 122.60 1s9f s ILE 166 Ca 0.04 -2.69 -0.15 0.00 0.00 0.00 0.00 60.65 57.85 1s9f s ILE 166 Cb -0.13 -2.65 0.21 0.00 0.01 0.00 0.00 42.46 39.90 1s9f s ILE 166 CO 0.02 -0.70 1.16 1.51 0.00 0.00 0.00 174.94 176.94 1s9f s ASP 167 N 0.44 2.47 0.33 3.58 3.84 -1.26 -4.23 116.67 121.85 1s9f s ASP 167 Ca 0.14 0.74 0.11 0.00 -0.00 0.00 0.00 52.55 53.54 1s9f s ASP 167 Cb -0.22 -1.12 0.98 0.00 -1.38 0.00 0.00 42.92 41.18 1s9f s ASP 167 CO -0.05 -3.17 1.68 0.44 -0.00 0.00 0.00 175.17 174.07 1s9f h ASP 168 N -1.93 0.52 -0.12 2.11 5.19 -1.99 -1.54 116.42 118.65 1s9f h ASP 168 Ca -0.48 0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.00 1s9f h ASP 168 Cb 1.30 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1s9f h ASP 168 CO 0.48 -0.06 -0.32 -0.33 -3.12 0.00 0.00 179.24 175.89 1s9f h GLU 169 N 0.40 0.43 0.00 3.56 4.39 -2.01 -3.00 114.58 118.35 1s9f h GLU 169 Ca 0.68 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 1s9f h GLU 169 Cb 1.46 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1s9f h GLU 169 CO -0.57 0.91 -0.10 1.49 -1.16 0.00 0.00 179.01 179.59 1s9f h GLU 170 N 0.02 0.00 -0.55 2.33 4.81 -1.71 -1.66 114.58 117.82 1s9f h GLU 170 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1s9f h GLU 170 Cb 0.93 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1s9f h GLU 170 CO 0.07 0.10 -0.09 0.28 -0.73 0.00 0.00 179.01 178.64 1s9f h VAL 171 N 0.00 1.27 -0.57 0.32 2.07 -1.23 0.81 116.25 118.92 1s9f h VAL 171 Ca -0.00 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.18 1s9f h VAL 171 Cb 0.41 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1s9f h VAL 171 CO 0.01 0.44 0.00 0.11 0.02 0.00 0.00 177.57 178.16 1s9f h LYS 172 N 0.92 0.99 -0.32 1.57 1.57 -1.18 -1.34 116.57 118.78 1s9f h LYS 172 Ca 0.15 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1s9f h LYS 172 Cb 0.66 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1s9f h LYS 172 CO 0.05 0.97 -0.34 -0.09 -0.57 0.00 0.00 179.45 179.46 1s9f h ARG 173 N 0.91 0.71 -0.35 3.15 2.43 -1.12 -3.04 114.38 117.07 1s9f h ARG 173 Ca 0.17 -0.34 -0.17 0.00 -0.81 0.00 0.00 59.98 58.83 1s9f h ARG 173 Cb 0.52 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1s9f h ARG 173 CO 0.03 0.95 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.92 1s9f h LEU 174 N 0.59 0.99 -2.25 3.80 3.38 -0.62 0.33 115.31 121.54 1s9f h LEU 174 Ca 0.06 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1s9f h LEU 174 Cb 0.87 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1s9f h LEU 174 CO 0.08 1.29 0.16 0.40 0.09 0.00 0.00 178.44 180.45 1s9f h ILE 175 N 0.72 0.52 0.01 1.22 2.04 -1.20 0.50 117.51 121.32 1s9f h ILE 175 Ca 0.04 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.54 1s9f h ILE 175 Cb 1.05 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1s9f h ILE 175 CO 0.11 0.00 -2.33 0.54 0.00 0.00 0.00 178.15 176.47 1s9f n ARG 176 N -3.88 0.68 -0.00 2.37 1.74 -0.97 -0.98 116.66 115.61 1s9f n ARG 176 Ca 0.01 0.08 0.06 0.00 -0.77 0.00 0.00 57.85 57.23 1s9f n ARG 176 Cb 0.28 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 1s9f n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s9f n GLU 177 N -2.96 2.15 -2.65 5.56 1.02 0.11 -4.86 120.64 119.01 1s9f n GLU 177 Ca -0.35 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.33 1s9f n GLU 177 Cb 1.09 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.35 1s9f n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s9f s LEU 178 N -3.00 4.24 -0.15 -4.62 2.96 0.17 -4.95 118.68 113.32 1s9f s LEU 178 Ca 0.01 1.56 -0.36 0.00 -0.22 0.00 0.00 54.13 55.13 1s9f s LEU 178 Cb 0.09 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 43.09 1s9f s LEU 178 CO 0.50 -0.49 1.87 -0.67 -1.32 0.00 0.00 176.35 176.24 1s9f n ASP 179 N 5.15 3.14 0.30 3.68 -0.08 -1.26 -4.34 116.55 123.14 1s9f n ASP 179 Ca 0.09 0.97 0.17 0.00 -1.51 0.00 0.00 54.79 54.51 1s9f n ASP 179 Cb 0.48 -1.31 0.92 0.00 2.34 0.00 0.00 41.12 43.55 1s9f n ASP 179 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1s9f h ILE 180 N 5.51 0.00 -0.16 5.18 2.10 -1.59 0.41 117.51 128.96 1s9f h ILE 180 Ca -0.47 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.39 1s9f h ILE 180 Cb 1.29 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 1s9f h ILE 180 CO 0.96 0.00 -0.27 0.00 -1.08 0.00 0.00 178.15 177.76 1s9f h ALA 181 N 1.67 1.24 0.00 0.18 0.00 -1.86 -2.48 119.26 118.01 1s9f h ALA 181 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1s9f h ALA 181 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s9f h ALA 181 CO 0.00 0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 1s9f n ASP 182 N -4.13 0.00 -4.75 0.00 10.43 0.13 -4.65 116.55 113.58 1s9f n ASP 182 Ca -0.01 -0.98 -0.40 0.00 2.57 0.00 0.00 54.79 55.97 1s9f n ASP 182 Cb 0.39 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.29 1s9f n ASP 182 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1s9f s VAL 183 N -2.00 4.43 0.10 2.53 1.01 -0.93 -4.98 120.40 120.55 1s9f s VAL 183 Ca 0.25 1.90 -0.32 0.00 0.00 0.00 0.00 61.98 63.80 1s9f s VAL 183 Cb 0.11 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1s9f s VAL 183 CO 0.19 0.41 1.81 -2.65 0.00 0.00 0.00 175.10 174.86 1s9f n PRO 184 N 2.24 2.61 0.00 2.72 -0.02 -1.26 -1.81 135.00 139.47 1s9f n PRO 184 Ca -0.01 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1s9f n PRO 184 Cb 0.49 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1s9f n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9f n GLY 185 N 4.13 0.33 3.19 -1.23 0.00 -1.26 -5.04 105.19 105.32 1s9f n GLY 185 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1s9f n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9f s ILE 186 N -2.00 4.16 0.00 -0.61 -1.09 -0.75 -5.01 121.20 115.90 1s9f s ILE 186 Ca 0.00 -2.21 0.00 0.00 -2.23 0.00 0.00 60.65 56.21 1s9f s ILE 186 Cb 0.00 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1s9f s ILE 186 CO 0.00 -0.83 0.00 0.61 -1.23 0.00 0.00 174.94 173.49 1s9f n GLY 187 N 4.39 0.24 0.32 6.18 0.00 -1.26 -4.73 105.19 110.33 1s9f n GLY 187 Ca -0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 1s9f n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s9f h ASN 188 N 0.00 -0.75 -0.39 1.61 2.35 -1.97 -1.37 115.58 115.06 1s9f h ASN 188 Ca 0.00 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1s9f h ASN 188 Cb 0.00 0.24 -0.09 0.00 0.05 0.00 0.00 38.32 38.52 1s9f h ASN 188 CO 0.00 -0.43 -0.41 0.40 -1.65 0.00 0.00 177.43 175.34 1s9f h ILE 189 N -0.65 0.14 -0.59 2.81 1.08 -2.00 -1.07 117.51 117.21 1s9f h ILE 189 Ca -0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1s9f h ILE 189 Cb 0.57 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 1s9f h ILE 189 CO -0.01 0.00 0.19 0.74 -0.69 0.00 0.00 178.15 178.38 1s9f h THR 190 N -0.32 1.22 -0.05 -0.27 2.02 -1.92 -2.76 112.91 110.84 1s9f h THR 190 Ca 0.14 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1s9f h THR 190 Cb 0.58 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1s9f h THR 190 CO -0.56 0.29 -0.12 0.00 0.37 0.00 0.00 175.52 175.51 1s9f h ALA 191 N 1.35 -0.09 -0.20 6.16 0.00 -0.29 -1.34 119.26 124.84 1s9f h ALA 191 Ca 0.20 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1s9f h ALA 191 Cb 0.24 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1s9f h ALA 191 CO -0.01 -0.59 -0.23 0.93 0.00 0.00 0.00 179.25 179.34 1s9f h GLU 192 N -0.18 -0.25 -0.44 0.00 4.39 -0.97 -0.73 114.58 116.40 1s9f h GLU 192 Ca 0.06 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.78 1s9f h GLU 192 Cb 0.26 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1s9f h GLU 192 CO -0.15 -0.17 0.29 0.87 -1.16 0.00 0.00 179.01 178.70 1s9f h LYS 193 N -0.26 0.58 -0.38 2.33 1.57 -1.21 -1.60 116.57 117.60 1s9f h LYS 193 Ca 0.12 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1s9f h LYS 193 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1s9f h LYS 193 CO -0.35 0.38 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.48 1s9f h LEU 194 N 0.60 0.97 -1.12 2.94 3.38 -0.41 -2.95 115.31 118.71 1s9f h LEU 194 Ca 0.16 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1s9f h LEU 194 Cb -0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1s9f h LEU 194 CO -0.04 1.24 0.53 0.50 0.09 0.00 0.00 178.44 180.76 1s9f h LYS 195 N 0.73 1.13 0.00 1.13 3.64 -0.40 0.29 116.57 123.08 1s9f h LYS 195 Ca 0.06 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1s9f h LYS 195 Cb 0.96 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1s9f h LYS 195 CO 0.09 0.77 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.77 1s9f h LYS 196 N 1.15 0.00 -0.21 1.90 3.64 -1.16 0.55 116.57 122.45 1s9f h LYS 196 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1s9f h LYS 196 Cb -0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1s9f h LYS 196 CO -0.06 0.05 0.00 1.28 -2.27 0.00 0.00 179.45 178.45 1s9f n LEU 197 N -3.91 2.02 -0.56 5.20 4.77 -0.27 -4.91 117.00 119.34 1s9f n LEU 197 Ca -0.03 -0.85 -0.06 0.00 -0.03 0.00 0.00 56.01 55.05 1s9f n LEU 197 Cb 0.14 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1s9f n LEU 197 CO 0.30 0.43 -0.06 0.61 -1.33 0.00 0.00 177.39 177.33 1s9f n GLY 198 N 1.20 0.37 3.41 -0.72 0.00 0.19 -5.02 105.19 104.63 1s9f n GLY 198 Ca 0.17 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1s9f n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9f s ILE 199 N -2.25 4.70 -0.10 -0.61 1.01 -0.07 -4.90 121.20 118.98 1s9f s ILE 199 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1s9f s ILE 199 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1s9f s ILE 199 CO 0.00 -0.14 0.12 0.59 0.00 0.00 0.00 174.94 175.51 1s9f n ASN 200 N 5.02 1.70 -4.09 3.58 4.13 -1.26 -3.63 115.26 120.70 1s9f n ASN 200 Ca -0.12 -0.36 -0.11 0.00 1.68 0.00 0.00 54.58 55.67 1s9f n ASN 200 Cb 0.47 1.06 -0.11 0.00 -1.54 0.00 0.00 39.78 39.67 1s9f n ASN 200 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1s9f s LYS 201 N -1.67 0.62 0.38 3.52 -0.14 -1.26 -1.42 119.74 119.77 1s9f s LYS 201 Ca 0.00 -1.00 0.13 0.00 -1.36 0.00 0.00 55.97 53.74 1s9f s LYS 201 Cb 0.02 -0.16 0.94 0.00 -1.68 0.00 0.00 37.83 36.95 1s9f s LYS 201 CO 0.14 -0.00 1.86 -0.07 -0.76 0.00 0.00 175.35 176.52 1s9f h LEU 202 N 3.82 0.54 -1.59 3.17 3.38 -1.71 0.43 115.31 123.35 1s9f h LEU 202 Ca -0.35 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1s9f h LEU 202 Cb 1.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1s9f h LEU 202 CO 0.52 0.25 0.27 -0.37 0.09 0.00 0.00 178.44 179.20 1s9f h VAL 203 N 0.56 1.11 -0.60 1.22 -1.51 -1.40 -2.42 116.25 113.22 1s9f h VAL 203 Ca 0.46 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 65.77 1s9f h VAL 203 Cb 0.91 0.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 1s9f h VAL 203 CO -0.20 0.10 0.40 0.44 -1.23 0.00 0.00 177.57 177.08 1s9f h ASP 204 N 0.57 0.58 0.00 4.19 3.32 -1.19 -1.22 116.42 122.67 1s9f h ASP 204 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s9f h ASP 204 Cb -0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1s9f h ASP 204 CO -0.03 0.40 0.07 0.71 -1.72 0.00 0.00 179.24 178.67 1s9f h THR 205 N 0.67 0.00 0.00 0.35 1.35 -1.50 0.41 112.91 114.19 1s9f h THR 205 Ca 0.24 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.02 1s9f h THR 205 Cb 0.12 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1s9f h THR 205 CO -0.07 0.00 -0.49 -0.07 -0.25 0.00 0.00 175.52 174.65 1s9f h LEU 206 N 0.00 0.00 -3.92 3.87 3.38 -1.37 -3.29 115.31 113.98 1s9f h LEU 206 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1s9f h LEU 206 Cb 0.14 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.61 1s9f h LEU 206 CO 0.00 0.37 0.74 -1.54 0.09 0.00 0.00 178.44 178.09 1s9f n SER 207 N -3.14 5.77 -4.00 -0.43 3.41 0.13 -4.89 113.62 110.47 1s9f n SER 207 Ca 0.01 -3.63 -0.10 0.00 -0.26 0.00 0.00 58.87 54.90 1s9f n SER 207 Cb 0.69 -0.91 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 1s9f n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s9f s ILE 208 N -3.90 0.22 0.29 -1.33 -1.09 -1.24 -5.10 121.20 109.05 1s9f s ILE 208 Ca 0.58 -0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 57.76 1s9f s ILE 208 Cb 0.47 -0.36 -0.09 0.00 -1.58 0.00 0.00 42.46 40.90 1s9f s ILE 208 CO 0.04 -0.47 1.01 -1.83 -1.23 0.00 0.00 174.94 172.46 1s9f s GLU 209 N -1.50 4.64 0.10 2.79 -1.05 -1.26 -4.91 118.70 117.50 1s9f s GLU 209 Ca -0.14 1.57 -0.31 0.00 -0.15 0.00 0.00 54.97 55.94 1s9f s GLU 209 Cb -0.10 -3.06 -0.13 0.00 -0.44 0.00 0.00 34.13 30.40 1s9f s GLU 209 CO -0.01 0.28 1.61 0.35 0.95 0.00 0.00 175.26 178.44 1s9f h PHE 210 N 3.63 -0.98 -0.87 4.83 3.57 -1.98 0.17 116.94 125.31 1s9f h PHE 210 Ca -0.46 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.23 1s9f h PHE 210 Cb 1.20 0.39 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 1s9f h PHE 210 CO 0.60 -0.50 0.57 -0.44 -2.23 0.00 0.00 178.31 176.31 1s9f h ASP 211 N -0.72 0.45 -0.16 0.41 3.45 -1.98 0.74 116.42 118.61 1s9f h ASP 211 Ca -0.02 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 1s9f h ASP 211 Cb 0.67 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1s9f h ASP 211 CO -0.09 0.20 -0.13 0.50 -1.57 0.00 0.00 179.24 178.16 1s9f h LYS 212 N 0.46 0.38 -0.44 3.56 1.63 -1.71 -2.01 116.57 118.44 1s9f h LYS 212 Ca 0.45 -0.18 -0.14 0.00 -0.85 0.00 0.00 60.65 59.93 1s9f h LYS 212 Cb 1.03 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1s9f h LYS 212 CO -0.18 0.72 -0.26 1.25 -3.45 0.00 0.00 179.45 177.54 1s9f h LEU 213 N 0.03 0.98 -0.31 5.20 5.85 0.90 -3.16 115.31 124.79 1s9f h LEU 213 Ca 0.03 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1s9f h LEU 213 Cb 0.64 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1s9f h LEU 213 CO 0.03 1.17 0.13 0.50 -0.34 0.00 0.00 178.44 179.94 1s9f h LYS 214 N 0.80 0.27 0.00 1.25 3.64 0.45 -1.04 116.57 121.95 1s9f h LYS 214 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1s9f h LYS 214 Cb 0.83 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1s9f h LYS 214 CO 0.07 0.18 0.00 0.41 -2.27 0.00 0.00 179.45 177.84 1s9f n GLY 215 N -1.20 -0.78 0.14 5.01 0.00 -0.76 0.08 105.19 107.67 1s9f n GLY 215 Ca -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1s9f n GLY 215 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1s9f n MET 216 N -1.31 0.61 0.00 1.61 1.56 -0.51 -4.78 117.12 114.30 1s9f n MET 216 Ca 0.06 0.21 0.00 0.00 -0.27 0.00 0.00 57.70 57.71 1s9f n MET 216 Cb 0.12 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 33.99 1s9f n MET 216 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1s9f n ILE 217 N -3.84 0.00 0.00 1.12 -5.35 -0.54 -5.01 119.36 105.74 1s9f n ILE 217 Ca -0.51 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 1s9f n ILE 217 Cb 0.93 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.85 1s9f n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s9f n GLY 218 N 0.73 2.55 0.32 3.28 0.00 0.11 -4.52 105.19 107.66 1s9f n GLY 218 Ca 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 1s9f n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s9f h GLU 219 N 0.00 1.09 0.24 1.61 4.81 -1.91 -0.82 114.58 119.60 1s9f h GLU 219 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1s9f h GLU 219 Cb 0.00 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1s9f h GLU 219 CO 0.00 0.72 -0.17 0.00 -0.73 0.00 0.00 179.01 178.83 1s9f h ALA 220 N 1.32 -0.39 0.00 2.92 0.00 -1.95 -1.04 119.26 120.12 1s9f h ALA 220 Ca 0.32 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1s9f h ALA 220 Cb -0.09 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1s9f h ALA 220 CO -0.08 -0.73 -0.53 0.87 0.00 0.00 0.00 179.25 178.77 1s9f h LYS 221 N -0.41 0.00 0.11 0.00 1.57 -1.77 -2.33 116.57 113.75 1s9f h LYS 221 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1s9f h LYS 221 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1s9f h LYS 221 CO 0.01 0.53 -0.05 0.00 -0.57 0.00 0.00 179.45 179.37 1s9f h ALA 222 N 1.47 -0.15 -0.46 3.86 0.00 -0.96 -1.77 119.26 121.25 1s9f h ALA 222 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1s9f h ALA 222 Cb 0.98 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1s9f h ALA 222 CO 0.07 -0.42 0.17 0.87 0.00 0.00 0.00 179.25 179.93 1s9f h LYS 223 N -0.47 0.66 0.83 0.00 1.57 -1.19 -1.64 116.57 116.33 1s9f h LYS 223 Ca -0.02 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1s9f h LYS 223 Cb 0.38 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1s9f h LYS 223 CO 0.03 0.56 -0.40 -0.92 -0.57 0.00 0.00 179.45 178.15 1s9f h TYR 224 N 0.66 -1.03 -0.85 -1.35 3.20 -1.30 -1.28 116.97 115.02 1s9f h TYR 224 Ca 0.16 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1s9f h TYR 224 Cb 0.16 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1s9f h TYR 224 CO 0.01 -0.63 0.56 -0.07 -1.64 0.00 0.00 178.16 176.38 1s9f h LEU 225 N -1.15 0.96 -0.51 2.82 3.38 -1.20 -2.48 115.31 117.13 1s9f h LEU 225 Ca -0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1s9f h LEU 225 Cb 0.86 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1s9f h LEU 225 CO 0.19 0.68 0.17 0.40 0.09 0.00 0.00 178.44 179.97 1s9f h ILE 226 N 1.13 1.23 0.00 1.22 2.04 -1.27 -0.94 117.51 120.92 1s9f h ILE 226 Ca 0.32 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1s9f h ILE 226 Cb -0.09 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1s9f h ILE 226 CO -0.08 0.28 -0.22 0.77 0.00 0.00 0.00 178.15 178.90 1s9f h SER 227 N 0.69 0.00 0.31 1.72 4.64 -1.03 -0.80 113.55 119.08 1s9f h SER 227 Ca 0.17 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.23 1s9f h SER 227 Cb 0.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1s9f h SER 227 CO -0.01 0.22 -1.09 -0.07 -0.87 0.00 0.00 176.83 175.01 1s9f h LEU 228 N 0.00 0.63 -0.54 5.97 3.38 -0.98 0.56 115.31 124.33 1s9f h LEU 228 Ca -0.00 -0.56 -0.16 0.00 0.09 0.00 0.00 57.88 57.25 1s9f h LEU 228 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1s9f h LEU 228 CO 0.03 1.38 -0.72 0.00 0.09 0.00 0.00 178.44 179.22 1s9f h ALA 229 N 0.56 0.78 -0.09 1.53 0.00 -0.81 -2.77 119.26 118.46 1s9f h ALA 229 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1s9f h ALA 229 Cb 1.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1s9f h ALA 229 CO 0.19 0.86 0.00 0.54 0.00 0.00 0.00 179.25 180.84 1s9f n ARG 230 N -3.73 1.48 -2.56 0.00 1.74 -0.34 -4.89 116.66 108.37 1s9f n ARG 230 Ca -0.02 -0.71 -0.19 0.00 -0.77 0.00 0.00 57.85 56.16 1s9f n ARG 230 Cb 0.70 -1.38 -0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1s9f n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s9f n ASP 231 N -0.08 -5.36 -1.19 0.55 2.03 -1.04 -4.85 116.55 106.61 1s9f n ASP 231 Ca 0.16 -0.03 0.08 0.00 0.52 0.00 0.00 54.79 55.53 1s9f n ASP 231 Cb 0.25 -4.45 0.28 0.00 -0.72 0.00 0.00 41.12 36.48 1s9f n ASP 231 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1s9f n GLU 232 N -3.16 3.32 -2.62 -0.67 1.02 0.19 -4.96 120.64 113.75 1s9f n GLU 232 Ca -0.19 -2.66 -0.42 0.00 -0.02 0.00 0.00 57.16 53.87 1s9f n GLU 232 Cb 0.65 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1s9f n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1s9f s TYR 233 N -1.80 3.45 -0.29 -0.32 5.04 -0.72 -4.91 117.35 117.79 1s9f s TYR 233 Ca 0.42 1.50 0.18 0.00 -2.44 0.00 0.00 57.07 56.74 1s9f s TYR 233 Cb 0.28 -3.25 0.46 0.00 0.35 0.00 0.00 41.96 39.80 1s9f s TYR 233 CO 0.19 -0.51 1.31 0.27 -1.34 0.00 0.00 175.55 175.48 1s9f n ASN 234 N 4.84 0.15 -4.69 4.32 6.94 -1.26 -4.88 115.26 120.68 1s9f n ASN 234 Ca 0.09 -2.11 -0.42 0.00 -0.02 0.00 0.00 54.58 52.12 1s9f n ASN 234 Cb 0.48 0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 1s9f n ASN 234 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1s9f s GLU 235 N -1.95 4.13 0.61 -3.83 0.41 -1.26 -4.95 118.70 111.87 1s9f s GLU 235 Ca 0.19 2.62 -0.16 0.00 -0.41 0.00 0.00 54.97 57.21 1s9f s GLU 235 Cb 0.38 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 1s9f s GLU 235 CO -0.08 -0.87 1.08 -1.25 -0.49 0.00 0.00 175.26 173.65 1s9f s PRO 236 N 3.05 3.14 -0.29 0.39 0.04 -1.26 -4.73 135.00 135.34 1s9f s PRO 236 Ca 0.83 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 1s9f s PRO 236 Cb -0.46 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.09 1s9f s PRO 236 CO 0.38 -0.97 1.18 0.42 0.04 0.00 0.00 177.00 178.05 1s9f s ILE 237 N -2.34 4.35 0.07 0.56 1.09 -1.26 -5.01 121.20 118.66 1s9f s ILE 237 Ca 0.66 1.57 0.07 0.00 -1.10 0.00 0.00 60.65 61.84 1s9f s ILE 237 Cb -0.18 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.93 1s9f s ILE 237 CO 0.37 -0.42 -0.18 -0.13 -0.10 0.00 0.00 174.94 174.48 1s9f s ARG 238 N 3.79 1.10 0.03 2.79 0.52 -1.26 -4.82 118.95 121.10 1s9f s ARG 238 Ca 0.50 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1s9f s ARG 238 Cb -0.15 -1.23 -0.08 0.00 0.52 0.00 0.00 34.95 34.01 1s9f s ARG 238 CO 0.18 0.30 1.85 0.99 0.02 0.00 0.00 175.30 178.63 1s9f s THR 239 N -1.01 3.11 0.28 0.02 2.01 -1.26 -4.55 115.64 114.23 1s9f s THR 239 Ca 0.04 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1s9f s THR 239 Cb -0.09 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 1s9f s THR 239 CO 0.03 -0.02 1.16 -0.13 -0.69 0.00 0.00 174.62 174.97 1s9f s ARG 240 N 4.01 4.55 -0.14 4.92 3.00 -1.26 -5.03 118.95 129.00 1s9f s ARG 240 Ca 0.83 1.91 0.02 0.00 0.00 0.00 0.00 55.73 58.48 1s9f s ARG 240 Cb -0.40 -3.17 0.01 0.00 0.00 0.00 0.00 34.95 31.39 1s9f s ARG 240 CO 0.37 0.08 -0.19 0.54 0.00 0.00 0.00 175.30 176.10 1s9f s VAL 241 N -0.99 1.89 0.06 3.52 0.11 -1.26 -5.01 120.40 118.71 1s9f s VAL 241 Ca 0.47 -0.87 -0.35 0.00 -2.93 0.00 0.00 61.98 58.30 1s9f s VAL 241 Cb -0.34 -1.69 -0.15 0.00 -1.53 0.00 0.00 36.38 32.67 1s9f s VAL 241 CO 0.43 0.52 1.57 0.54 -3.33 0.00 0.00 175.10 174.82 1s9f n ARG 242 N 4.25 1.75 -0.01 1.54 5.12 -1.26 -4.88 116.66 123.17 1s9f n ARG 242 Ca -0.20 0.63 0.06 0.00 -1.93 0.00 0.00 57.85 56.42 1s9f n ARG 242 Cb 0.51 -2.37 -0.09 0.00 -1.16 0.00 0.00 32.46 29.35 1s9f n ARG 242 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1s9f n LYS 243 N 3.82 0.42 -3.69 5.56 5.02 -1.26 -4.97 118.16 123.05 1s9f n LYS 243 Ca 0.19 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1s9f n LYS 243 Cb 0.24 -1.27 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 1s9f n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1s9f s SER 244 N -3.31 -0.27 -0.05 4.39 1.04 -1.26 -3.82 113.70 110.42 1s9f s SER 244 Ca -0.04 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 1s9f s SER 244 Cb 0.07 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1s9f s SER 244 CO 0.48 -0.61 0.11 -0.63 0.98 0.00 0.00 173.24 173.57 1s9f s ILE 245 N -2.16 -0.04 0.29 -1.02 1.01 -0.24 -4.97 121.20 114.07 1s9f s ILE 245 Ca -0.07 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1s9f s ILE 245 Cb -0.02 -0.18 0.04 0.00 0.01 0.00 0.00 42.46 42.31 1s9f s ILE 245 CO -0.00 0.06 0.56 0.61 0.00 0.00 0.00 174.94 176.17 1s9f n GLY 246 N 3.90 1.40 3.44 6.18 0.00 -1.26 -0.40 105.19 118.45 1s9f n GLY 246 Ca -0.23 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1s9f n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s9f s ARG 247 N -2.15 0.56 -0.02 1.61 6.06 -0.66 -4.85 118.95 119.50 1s9f s ARG 247 Ca 0.14 0.92 0.01 0.00 -2.50 0.00 0.00 55.73 54.30 1s9f s ARG 247 Cb -0.03 0.12 0.01 0.00 0.06 0.00 0.00 34.95 35.11 1s9f s ARG 247 CO 0.10 -0.13 -0.04 -1.50 -2.50 0.00 0.00 175.30 171.23 1s9f s ILE 248 N 1.16 0.43 0.28 4.11 2.07 -1.26 -1.18 121.20 126.81 1s9f s ILE 248 Ca -0.07 -0.13 0.07 0.00 -1.41 0.00 0.00 60.65 59.11 1s9f s ILE 248 Cb -0.06 -0.43 -0.06 0.00 0.13 0.00 0.00 42.46 42.05 1s9f s ILE 248 CO -0.11 0.17 -0.06 0.68 -1.91 0.00 0.00 174.94 173.70 1s9f s VAL 249 N 0.50 1.67 -0.13 4.00 -7.23 -0.28 -4.94 120.40 113.99 1s9f s VAL 249 Ca -0.06 -2.13 -0.10 0.00 -1.81 0.00 0.00 61.98 57.87 1s9f s VAL 249 Cb -0.09 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1s9f s VAL 249 CO -0.00 -0.31 0.21 -0.89 -0.31 0.00 0.00 175.10 173.80 1s9f s THR 250 N -3.00 5.37 0.29 5.32 2.01 -1.26 -0.92 115.64 123.46 1s9f s THR 250 Ca 0.29 0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.53 1s9f s THR 250 Cb 0.03 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1s9f s THR 250 CO 0.12 0.51 0.69 -0.04 -0.69 0.00 0.00 174.62 175.21 1s9f s MET 251 N -0.33 3.97 0.34 4.92 -1.94 -0.82 -4.90 119.30 120.54 1s9f s MET 251 Ca 0.15 0.58 0.12 0.00 -1.71 0.00 0.00 55.69 54.84 1s9f s MET 251 Cb -0.13 -2.51 0.97 0.00 2.01 0.00 0.00 34.83 35.18 1s9f s MET 251 CO 0.04 0.21 1.72 0.87 -0.01 0.00 0.00 175.02 177.85 1s9f h LYS 252 N 2.39 0.48 -3.25 2.03 1.79 -1.89 -3.42 116.57 114.69 1s9f h LYS 252 Ca -0.48 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 57.85 1s9f h LYS 252 Cb 1.17 -0.11 -0.19 0.00 -1.58 0.00 0.00 32.23 31.52 1s9f h LYS 252 CO 0.66 0.32 -0.34 -0.98 -1.08 0.00 0.00 179.45 178.03 1s9f s ARG 253 N -5.69 0.65 0.38 3.15 1.70 -1.26 -4.79 118.95 113.08 1s9f s ARG 253 Ca -0.10 -0.35 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 1s9f s ARG 253 Cb 0.27 0.28 -0.11 0.00 -0.57 0.00 0.00 34.95 34.83 1s9f s ARG 253 CO 0.80 -0.18 1.48 -0.80 -1.08 0.00 0.00 175.30 175.51 1s9f s ASN 254 N -1.55 6.31 0.17 -2.89 0.02 -1.26 -4.93 114.94 110.80 1s9f s ASN 254 Ca -0.11 3.03 -0.21 0.00 -1.02 0.00 0.00 52.86 54.55 1s9f s ASN 254 Cb -0.05 -2.67 0.05 0.00 0.02 0.00 0.00 41.25 38.61 1s9f s ASN 254 CO 0.01 -0.90 0.56 -0.55 0.02 0.00 0.00 177.10 176.25 1s9f s SER 255 N -0.19 -0.43 -0.01 -1.22 0.15 -0.70 -4.90 113.70 106.41 1s9f s SER 255 Ca 0.53 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 57.03 1s9f s SER 255 Cb -0.46 0.59 0.07 0.00 -1.71 0.00 0.00 66.02 64.50 1s9f s SER 255 CO 0.62 -1.00 1.03 -2.11 1.20 0.00 0.00 173.24 172.99 1s9f n ARG 256 N -0.35 0.11 -3.27 5.44 1.85 -1.26 -0.11 116.66 119.07 1s9f n ARG 256 Ca -0.14 -1.24 -0.43 0.00 -1.00 0.00 0.00 57.85 55.04 1s9f n ARG 256 Cb 0.64 -0.54 -0.08 0.00 -1.05 0.00 0.00 32.46 31.43 1s9f n ARG 256 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1s9f s ASN 257 N -1.26 6.24 0.23 2.89 3.84 -1.26 -4.97 114.94 120.65 1s9f s ASN 257 Ca 0.06 -0.48 -0.09 0.00 0.21 0.00 0.00 52.86 52.56 1s9f s ASN 257 Cb 0.06 -2.25 0.37 0.00 -0.55 0.00 0.00 41.25 38.88 1s9f s ASN 257 CO -0.02 -0.59 1.65 0.25 -2.79 0.00 0.00 177.10 175.60 1s9f h LEU 258 N 9.17 -0.33 -1.62 3.21 7.12 -1.99 -0.22 115.31 130.66 1s9f h LEU 258 Ca -0.27 0.18 -0.04 0.00 0.13 0.00 0.00 57.88 57.88 1s9f h LEU 258 Cb 1.11 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 41.55 1s9f h LEU 258 CO 0.80 -0.15 -0.17 -0.33 -0.13 0.00 0.00 178.44 178.46 1s9f h GLU 259 N 0.11 0.02 0.02 1.25 4.39 -2.01 -0.76 114.58 117.60 1s9f h GLU 259 Ca 0.37 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.86 1s9f h GLU 259 Cb 0.62 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1s9f h GLU 259 CO -0.61 0.20 -0.95 1.49 -1.16 0.00 0.00 179.01 177.99 1s9f h GLU 260 N 0.02 0.07 0.23 2.33 4.81 -1.50 -3.33 114.58 117.20 1s9f h GLU 260 Ca 0.00 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 58.82 1s9f h GLU 260 Cb 0.32 0.03 0.03 0.00 0.63 0.00 0.00 28.75 29.77 1s9f h GLU 260 CO 0.02 0.96 -1.43 0.82 -0.73 0.00 0.00 179.01 178.66 1s9f h ILE 261 N 0.03 1.33 -0.82 2.32 2.04 -0.73 -3.39 117.51 118.30 1s9f h ILE 261 Ca -0.03 -2.79 0.20 0.00 1.00 0.00 0.00 64.86 63.24 1s9f h ILE 261 Cb 1.64 3.02 -0.14 0.00 -0.74 0.00 0.00 36.82 40.60 1s9f h ILE 261 CO 0.13 0.83 0.05 0.11 0.00 0.00 0.00 178.15 179.27 1s9f h LYS 262 N 0.13 0.11 -0.96 2.37 1.57 -1.27 -1.49 116.57 117.04 1s9f h LYS 262 Ca -0.23 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1s9f h LYS 262 Cb 2.13 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 34.34 1s9f h LYS 262 CO 0.26 0.07 0.61 -1.35 -0.57 0.00 0.00 179.45 178.47 1s9f h PRO 263 N 0.11 0.91 -0.19 3.15 0.11 -1.76 0.31 132.00 134.64 1s9f h PRO 263 Ca 0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 1s9f h PRO 263 Cb 0.86 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1s9f h PRO 263 CO -0.70 0.60 -0.12 1.88 -0.21 0.00 0.00 178.00 179.45 1s9f h TYR 264 N 0.94 0.48 -0.64 0.65 0.05 -1.53 -1.94 116.97 114.96 1s9f h TYR 264 Ca 0.46 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 59.12 1s9f h TYR 264 Cb 0.48 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1s9f h TYR 264 CO -0.00 0.73 0.43 1.25 -1.05 0.00 0.00 178.16 179.51 1s9f h LEU 265 N 0.09 0.74 -0.93 3.88 5.85 -0.85 -0.89 115.31 123.19 1s9f h LEU 265 Ca 0.04 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1s9f h LEU 265 Cb 0.62 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1s9f h LEU 265 CO 0.03 0.53 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.25 1s9f h PHE 266 N 0.87 0.66 -0.52 1.25 0.04 -0.40 -1.16 116.94 117.68 1s9f h PHE 266 Ca 0.24 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 1s9f h PHE 266 Cb -0.10 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 1s9f h PHE 266 CO -0.03 0.73 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.28 1s9f h ARG 267 N 0.55 0.90 -0.67 1.51 2.43 -0.89 -1.05 114.38 117.14 1s9f h ARG 267 Ca 0.09 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1s9f h ARG 267 Cb 0.58 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1s9f h ARG 267 CO 0.04 0.92 0.11 0.00 -1.51 0.00 0.00 179.97 179.52 1s9f h ALA 268 N 1.13 0.89 -0.25 2.80 0.00 -0.58 -2.02 119.26 121.22 1s9f h ALA 268 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1s9f h ALA 268 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1s9f h ALA 268 CO 0.03 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.79 1s9f h ILE 269 N 1.04 1.24 -0.37 0.00 2.04 -0.93 -0.76 117.51 119.78 1s9f h ILE 269 Ca 0.20 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1s9f h ILE 269 Cb 0.45 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1s9f h ILE 269 CO 0.01 0.27 0.13 -0.33 0.00 0.00 0.00 178.15 178.24 1s9f h GLU 270 N 0.23 0.28 -0.44 2.37 4.39 -1.07 0.71 114.58 121.04 1s9f h GLU 270 Ca 0.07 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1s9f h GLU 270 Cb 0.38 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1s9f h GLU 270 CO 0.01 0.19 0.08 0.93 -1.16 0.00 0.00 179.01 179.06 1s9f h GLU 271 N 0.29 0.73 -0.44 2.33 5.08 -1.31 -2.42 114.58 118.83 1s9f h GLU 271 Ca 0.17 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s9f h GLU 271 Cb 0.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1s9f h GLU 271 CO -0.17 0.74 0.29 0.77 -1.00 0.00 0.00 179.01 179.64 1s9f h SER 272 N 0.59 0.51 -0.13 1.42 0.02 -0.69 -1.99 113.55 113.28 1s9f h SER 272 Ca 0.14 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1s9f h SER 272 Cb 0.36 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1s9f h SER 272 CO 0.01 0.38 -0.05 1.88 -1.14 0.00 0.00 176.83 177.91 1s9f h TYR 273 N 0.59 0.42 -0.28 3.45 0.05 -0.79 -1.01 116.97 119.40 1s9f h TYR 273 Ca 0.16 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 1s9f h TYR 273 Cb -0.05 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1s9f h TYR 273 CO -0.04 0.46 0.07 -0.92 -1.05 0.00 0.00 178.16 176.68 1s9f h TYR 274 N 0.39 0.46 0.00 4.88 3.20 -1.03 -2.69 116.97 122.19 1s9f h TYR 274 Ca 0.08 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1s9f h TYR 274 Cb 0.34 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1s9f h TYR 274 CO 0.01 0.52 -0.16 0.87 -1.64 0.00 0.00 178.16 177.76 1s9f h LYS 275 N 0.28 0.00 -0.33 1.82 1.57 -0.76 -2.59 116.57 116.56 1s9f h LYS 275 Ca 0.09 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1s9f h LYS 275 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1s9f h LYS 275 CO 0.00 0.16 0.27 -0.07 -0.57 0.00 0.00 179.45 179.23 1s9f h LEU 276 N 0.00 0.00 -3.70 2.94 3.38 -0.85 -3.47 115.31 113.62 1s9f h LEU 276 Ca -0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1s9f h LEU 276 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1s9f h LEU 276 CO 0.02 0.00 -1.08 -0.67 0.09 0.00 0.00 178.44 176.80 1s9f n ASP 277 N -4.19 -4.62 0.00 -0.43 2.03 -0.98 -1.42 116.55 106.95 1s9f n ASP 277 Ca 0.05 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1s9f n ASP 277 Cb 0.43 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 1s9f n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s9f n LYS 278 N -2.45 0.00 -2.49 -0.67 5.02 -1.26 -5.01 118.16 111.29 1s9f n LYS 278 Ca -0.31 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.61 1s9f n LYS 278 Cb 0.67 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 1s9f n LYS 278 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1s9f s ARG 279 N 0.00 4.24 -0.23 1.97 0.52 -0.51 -5.03 118.95 119.91 1s9f s ARG 279 Ca 0.00 1.62 0.01 0.00 -0.52 0.00 0.00 55.73 56.84 1s9f s ARG 279 Cb 0.00 -2.69 0.04 0.00 0.52 0.00 0.00 34.95 32.82 1s9f s ARG 279 CO 0.00 -0.10 -0.12 0.42 0.02 0.00 0.00 175.30 175.52 1s9f s ILE 280 N -1.52 2.33 0.29 1.52 1.01 -1.26 -4.91 121.20 118.66 1s9f s ILE 280 Ca 0.55 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 1s9f s ILE 280 Cb -0.25 -2.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 1s9f s ILE 280 CO 0.32 0.20 0.79 -2.16 0.00 0.00 0.00 174.94 174.08 1s9f s PRO 281 N 1.22 4.23 0.00 2.79 0.04 -1.26 -0.64 135.00 141.38 1s9f s PRO 281 Ca -0.02 0.91 0.13 0.00 0.04 0.00 0.00 61.00 62.06 1s9f s PRO 281 Cb -0.17 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1s9f s PRO 281 CO -0.07 0.26 0.64 1.63 0.04 0.00 0.00 177.00 179.50 1s9f n LYS 282 N 0.23 2.37 -4.54 4.56 5.02 -0.52 -0.05 118.16 125.22 1s9f n LYS 282 Ca 0.01 -0.38 -0.22 0.00 -2.02 0.00 0.00 58.31 55.70 1s9f n LYS 282 Cb 0.52 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 1s9f n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s9f s ALA 283 N -1.87 1.25 0.00 7.82 0.00 -0.83 0.87 121.76 129.01 1s9f s ALA 283 Ca 0.08 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1s9f s ALA 283 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1s9f s ALA 283 CO 0.41 0.28 -0.05 -1.50 0.00 0.00 0.00 175.76 174.89 1s9f s ILE 284 N -0.59 0.41 -0.03 0.00 2.07 -0.58 -1.89 121.20 120.60 1s9f s ILE 284 Ca 0.04 -0.29 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 1s9f s ILE 284 Cb -0.07 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.18 1s9f s ILE 284 CO 0.00 0.07 -0.01 -1.00 -1.91 0.00 0.00 174.94 172.09 1s9f s HIS 285 N -0.23 0.39 -0.22 3.50 3.76 -0.13 -0.63 115.29 121.72 1s9f s HIS 285 Ca 0.01 -0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 54.77 1s9f s HIS 285 Cb -0.03 -0.42 -0.05 0.00 1.11 0.00 0.00 32.58 33.19 1s9f s HIS 285 CO -0.00 -0.12 0.18 0.08 -0.85 0.00 0.00 174.74 174.03 1s9f s VAL 286 N 0.84 5.35 -0.09 -0.90 1.01 0.57 -0.54 120.40 126.64 1s9f s VAL 286 Ca -0.09 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1s9f s VAL 286 Cb -0.12 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1s9f s VAL 286 CO -0.01 0.36 -0.14 -0.69 0.00 0.00 0.00 175.10 174.62 1s9f s VAL 287 N 0.90 3.01 0.04 2.92 1.01 -0.29 -1.68 120.40 126.32 1s9f s VAL 287 Ca 0.09 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1s9f s VAL 287 Cb -0.13 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1s9f s VAL 287 CO 0.03 0.55 -0.16 0.00 0.00 0.00 0.00 175.10 175.53 1s9f s ALA 288 N -0.13 1.34 -0.20 5.51 0.00 0.90 -0.80 121.76 128.38 1s9f s ALA 288 Ca -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1s9f s ALA 288 Cb -0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1s9f s ALA 288 CO 0.03 0.27 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 1s9f s VAL 289 N -0.85 3.07 0.88 0.00 1.01 -0.01 -0.73 120.40 123.78 1s9f s VAL 289 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1s9f s VAL 289 Cb -0.08 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 34.06 1s9f s VAL 289 CO 0.01 0.46 1.18 0.42 0.00 0.00 0.00 175.10 177.18 1s9f s THR 290 N 1.33 1.98 0.29 3.92 -4.23 0.71 0.64 115.64 120.29 1s9f s THR 290 Ca 0.04 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1s9f s THR 290 Cb -0.14 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.09 1s9f s THR 290 CO -0.04 0.00 1.75 1.05 -0.54 0.00 0.00 174.62 176.83 1s9f h GLU 291 N -1.37 0.60 -0.75 3.99 4.11 -1.28 0.28 114.58 120.17 1s9f h GLU 291 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1s9f h GLU 291 Cb 1.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1s9f h GLU 291 CO 0.59 0.40 0.00 -0.40 0.07 0.00 0.00 179.01 179.67 1s9f n ASP 292 N -4.87 2.85 -1.35 3.06 3.85 -1.26 -4.88 116.55 113.94 1s9f n ASP 292 Ca 0.22 -2.34 -0.15 0.00 -0.71 0.00 0.00 54.79 51.81 1s9f n ASP 292 Cb 0.59 -0.53 -0.04 0.00 -1.35 0.00 0.00 41.12 39.79 1s9f n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1s9f n LEU 293 N 0.29 -1.31 -4.86 -2.12 4.77 0.97 -5.01 117.00 109.73 1s9f n LEU 293 Ca 0.12 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.99 1s9f n LEU 293 Cb 0.60 -2.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.45 1s9f n LEU 293 CO 0.13 -0.52 0.39 -0.62 -1.33 0.00 0.00 177.39 175.44 1s9f s ASP 294 N -2.64 6.70 -0.19 -1.43 3.68 -1.26 -4.77 116.67 116.76 1s9f s ASP 294 Ca 0.00 1.20 -0.06 0.00 2.13 0.00 0.00 52.55 55.81 1s9f s ASP 294 Cb 0.00 -2.34 -0.03 0.00 -1.45 0.00 0.00 42.92 39.10 1s9f s ASP 294 CO 0.00 -0.23 0.03 -0.63 0.13 0.00 0.00 175.17 174.48 1s9f s ILE 295 N -2.04 4.35 0.01 4.11 1.01 -1.26 -0.21 121.20 127.18 1s9f s ILE 295 Ca 0.53 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.04 1s9f s ILE 295 Cb -0.10 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1s9f s ILE 295 CO 0.21 0.44 -0.14 -0.69 0.00 0.00 0.00 174.94 174.75 1s9f s VAL 296 N 0.71 1.11 0.05 2.92 1.01 0.09 -5.01 120.40 121.28 1s9f s VAL 296 Ca 0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1s9f s VAL 296 Cb -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1s9f s VAL 296 CO 0.02 0.20 0.12 -0.94 0.00 0.00 0.00 175.10 174.50 1s9f s SER 297 N -0.62 0.16 -0.08 3.32 1.04 -1.26 -0.07 113.70 116.20 1s9f s SER 297 Ca 0.04 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 1s9f s SER 297 Cb -0.06 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.35 1s9f s SER 297 CO 0.00 -0.56 0.18 -0.13 0.98 0.00 0.00 173.24 173.71 1s9f s ARG 298 N -2.91 0.14 0.22 4.02 1.81 -0.68 -5.00 118.95 116.55 1s9f s ARG 298 Ca -0.02 0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.41 1s9f s ARG 298 Cb 0.01 -0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.37 1s9f s ARG 298 CO -0.06 -0.15 0.25 0.41 -0.68 0.00 0.00 175.30 175.07 1s9f n GLY 299 N 4.07 2.91 3.62 -3.53 0.00 -1.26 -0.32 105.19 110.68 1s9f n GLY 299 Ca -0.24 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1s9f n GLY 299 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s9f s ARG 300 N -2.69 0.75 -0.13 1.61 3.52 0.20 -4.98 118.95 117.22 1s9f s ARG 300 Ca 0.22 0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 56.59 1s9f s ARG 300 Cb 0.00 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1s9f s ARG 300 CO 0.16 -0.10 0.02 0.99 -0.81 0.00 0.00 175.30 175.55 1s9f s THR 301 N 0.20 4.40 0.17 4.11 2.01 -1.26 -1.52 115.64 123.74 1s9f s THR 301 Ca 0.00 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1s9f s THR 301 Cb -0.05 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1s9f s THR 301 CO -0.01 0.54 0.11 -0.36 -0.69 0.00 0.00 174.62 174.21 1s9f s PHE 302 N -0.20 3.10 -0.43 4.92 0.40 0.25 -4.99 117.98 121.03 1s9f s PHE 302 Ca 0.06 -0.04 0.25 0.00 -0.60 0.00 0.00 56.93 56.60 1s9f s PHE 302 Cb -0.12 -1.49 1.01 0.00 0.51 0.00 0.00 43.02 42.93 1s9f s PHE 302 CO 0.02 0.52 1.75 -1.00 0.70 0.00 0.00 175.22 177.21 1s9f h PRO 303 N 2.46 0.00 -5.12 0.24 0.13 -2.00 -3.45 132.00 124.25 1s9f h PRO 303 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 1s9f h PRO 303 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1s9f h PRO 303 CO 0.62 0.00 -0.55 -3.38 -0.23 0.00 0.00 178.00 174.47 1s9f s HIS 304 N -3.34 1.86 0.61 1.56 -3.43 -1.26 -5.12 115.29 106.17 1s9f s HIS 304 Ca 0.04 -1.14 -0.18 0.00 -0.80 0.00 0.00 55.06 52.99 1s9f s HIS 304 Cb 0.09 -1.25 -0.03 0.00 -1.43 0.00 0.00 32.58 29.96 1s9f s HIS 304 CO 0.43 -0.13 1.17 0.20 -2.00 0.00 0.00 174.74 174.41 1s9f s GLY 305 N -3.60 2.57 -0.27 -1.38 0.00 -1.26 -4.52 107.32 98.86 1s9f s GLY 305 Ca 0.26 0.87 -0.10 0.00 0.00 0.00 0.00 44.72 45.75 1s9f s GLY 305 CO 0.14 1.25 0.16 -0.42 0.00 0.00 0.00 173.10 174.22 1s9f s ILE 306 N -1.81 5.09 0.72 0.90 1.01 0.92 -4.96 121.20 123.07 1s9f s ILE 306 Ca 0.74 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 1s9f s ILE 306 Cb -0.27 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.81 1s9f s ILE 306 CO 0.34 0.28 1.07 -0.94 0.00 0.00 0.00 174.94 175.69 1s9f s SER 307 N 1.64 5.18 0.25 3.58 1.04 -1.26 -4.64 113.70 119.49 1s9f s SER 307 Ca 0.07 1.55 -0.05 0.00 0.48 0.00 0.00 55.95 57.99 1s9f s SER 307 Cb -0.16 -2.39 0.28 0.00 0.10 0.00 0.00 66.02 63.86 1s9f s SER 307 CO 0.09 -1.56 1.92 0.50 0.98 0.00 0.00 173.24 175.16 1s9f h LYS 308 N -0.80 1.30 -0.46 4.02 3.64 -1.99 -1.10 116.57 121.17 1s9f h LYS 308 Ca -0.44 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1s9f h LYS 308 Cb 1.22 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1s9f h LYS 308 CO 0.57 0.86 0.08 0.93 -2.27 0.00 0.00 179.45 179.63 1s9f h GLU 309 N 1.34 0.71 -0.23 1.90 3.07 -2.00 -1.43 114.58 117.94 1s9f h GLU 309 Ca 0.38 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 1s9f h GLU 309 Cb -0.11 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1s9f h GLU 309 CO -0.10 0.67 -0.35 1.15 -1.40 0.00 0.00 179.01 178.99 1s9f h THR 310 N 0.68 1.29 -0.77 1.13 2.02 -1.72 -2.66 112.91 112.89 1s9f h THR 310 Ca 0.15 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1s9f h THR 310 Cb 0.30 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1s9f h THR 310 CO 0.00 0.46 0.39 0.00 0.37 0.00 0.00 175.52 176.74 1s9f h ALA 311 N 1.21 0.99 0.61 6.16 0.00 -0.22 0.59 119.26 128.59 1s9f h ALA 311 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1s9f h ALA 311 Cb 0.81 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s9f h ALA 311 CO 0.07 0.53 -0.29 1.88 0.00 0.00 0.00 179.25 181.43 1s9f h TYR 312 N 1.07 -0.75 -0.75 0.00 0.05 -1.15 0.47 116.97 115.91 1s9f h TYR 312 Ca 0.27 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 1s9f h TYR 312 Cb 0.08 0.25 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1s9f h TYR 312 CO 0.01 -0.45 0.44 0.66 -1.05 0.00 0.00 178.16 177.77 1s9f h SER 313 N -0.86 0.91 -0.25 3.88 4.64 -1.36 -2.72 113.55 117.79 1s9f h SER 313 Ca -0.08 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 1s9f h SER 313 Cb 0.64 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1s9f h SER 313 CO 0.14 0.72 -0.32 -0.08 -0.87 0.00 0.00 176.83 176.41 1s9f h GLU 314 N 1.03 0.76 -0.67 4.77 4.57 -0.83 -3.08 114.58 121.13 1s9f h GLU 314 Ca 0.27 -0.36 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1s9f h GLU 314 Cb -0.02 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1s9f h GLU 314 CO -0.05 0.97 0.39 0.77 -1.18 0.00 0.00 179.01 179.92 1s9f h SER 315 N 0.64 0.60 -0.70 1.04 0.02 -0.64 -0.45 113.55 114.06 1s9f h SER 315 Ca 0.07 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1s9f h SER 315 Cb 0.85 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1s9f h SER 315 CO 0.07 0.40 0.45 0.58 -1.14 0.00 0.00 176.83 177.19 1s9f h VAL 316 N 0.73 1.13 -0.63 2.27 2.07 -1.43 0.13 116.25 120.53 1s9f h VAL 316 Ca 0.29 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1s9f h VAL 316 Cb 0.13 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1s9f h VAL 316 CO -0.15 0.16 0.07 0.11 0.02 0.00 0.00 177.57 177.78 1s9f h LYS 317 N 0.89 1.05 -0.49 1.57 1.57 -1.29 0.13 116.57 120.02 1s9f h LYS 317 Ca 0.27 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1s9f h LYS 317 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1s9f h LYS 317 CO -0.08 0.99 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.50 1s9f h LEU 318 N 0.98 1.04 -0.31 2.94 3.38 -0.62 -0.91 115.31 121.81 1s9f h LEU 318 Ca 0.19 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1s9f h LEU 318 Cb 0.47 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1s9f h LEU 318 CO 0.02 1.20 0.08 0.25 0.09 0.00 0.00 178.44 180.08 1s9f h LEU 319 N 0.87 0.46 -0.92 1.67 5.85 -0.44 -1.50 115.31 121.29 1s9f h LEU 319 Ca 0.11 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.70 1s9f h LEU 319 Cb 0.80 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1s9f h LEU 319 CO 0.07 0.56 0.57 1.56 -0.34 0.00 0.00 178.44 180.85 1s9f h GLN 320 N 0.33 0.95 -0.72 1.25 4.20 -0.61 0.40 115.11 120.91 1s9f h GLN 320 Ca 0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1s9f h GLN 320 Cb 0.27 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1s9f h GLN 320 CO -0.00 0.63 0.34 -0.22 -0.67 0.00 0.00 178.83 178.90 1s9f h LYS 321 N 0.98 1.04 -0.06 1.46 3.64 -0.61 -0.10 116.57 122.91 1s9f h LYS 321 Ca 0.43 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1s9f h LYS 321 Cb 0.31 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1s9f h LYS 321 CO -0.22 0.81 -0.02 0.82 -2.27 0.00 0.00 179.45 178.57 1s9f h ILE 322 N 1.03 1.31 -0.56 2.00 2.04 -0.05 -1.76 117.51 121.52 1s9f h ILE 322 Ca 0.25 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1s9f h ILE 322 Cb 0.12 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1s9f h ILE 322 CO -0.03 0.26 0.37 -0.07 0.00 0.00 0.00 178.15 178.69 1s9f h LEU 323 N -0.25 0.50 -0.50 1.44 3.38 -0.71 -1.59 115.31 117.58 1s9f h LEU 323 Ca 0.01 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1s9f h LEU 323 Cb 0.43 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1s9f h LEU 323 CO 0.01 0.33 -0.75 -0.33 0.09 0.00 0.00 178.44 177.79 1s9f h GLU 324 N 0.57 0.02 -0.44 1.13 5.08 -0.88 -3.30 114.58 116.77 1s9f h GLU 324 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1s9f h GLU 324 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1s9f h GLU 324 CO -0.07 0.76 0.00 0.39 -1.00 0.00 0.00 179.01 179.09 1s9f n GLU 325 N -3.66 3.30 -3.66 2.33 1.02 -0.67 -4.89 120.64 114.42 1s9f n GLU 325 Ca -0.01 -2.66 -0.05 0.00 -0.02 0.00 0.00 57.16 54.41 1s9f n GLU 325 Cb 0.73 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1s9f n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s9f s ASP 326 N -1.26 -0.63 0.44 1.62 2.15 -0.66 -5.03 116.67 113.30 1s9f s ASP 326 Ca 0.41 1.24 0.28 0.00 0.43 0.00 0.00 52.55 54.90 1s9f s ASP 326 Cb 0.28 1.73 0.85 0.00 -0.30 0.00 0.00 42.92 45.47 1s9f s ASP 326 CO 0.17 -0.23 1.78 -0.33 -0.17 0.00 0.00 175.17 176.39 1s9f h GLU 327 N 8.06 0.00 -7.26 4.34 5.08 -1.87 -3.42 114.58 119.51 1s9f h GLU 327 Ca -0.17 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.67 1s9f h GLU 327 Cb 1.11 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.50 1s9f h GLU 327 CO 0.12 0.00 0.32 1.03 -1.00 0.00 0.00 179.01 179.48 1s9f s ARG 328 N -3.39 2.15 0.40 2.33 0.52 -1.26 -5.02 118.95 114.68 1s9f s ARG 328 Ca 0.05 1.38 -0.14 0.00 -0.52 0.00 0.00 55.73 56.50 1s9f s ARG 328 Cb 0.08 -1.87 -0.08 0.00 0.52 0.00 0.00 34.95 33.60 1s9f s ARG 328 CO 0.59 -1.76 0.81 0.15 0.02 0.00 0.00 175.30 175.11 1s9f s LYS 329 N -4.52 3.91 -0.05 3.54 1.02 -1.26 -4.89 119.74 117.50 1s9f s LYS 329 Ca 0.65 0.67 -0.13 0.00 0.02 0.00 0.00 55.97 57.18 1s9f s LYS 329 Cb -0.21 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1s9f s LYS 329 CO 0.51 -0.02 0.35 0.42 -0.92 0.00 0.00 175.35 175.69 1s9f s ILE 330 N -2.28 5.16 -0.24 2.17 1.01 0.85 -0.81 121.20 127.07 1s9f s ILE 330 Ca 0.54 0.69 -0.08 0.00 0.00 0.00 0.00 60.65 61.80 1s9f s ILE 330 Cb -0.10 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.60 1s9f s ILE 330 CO 0.25 0.55 -0.28 -1.14 0.00 0.00 0.00 174.94 174.32 1s9f n ARG 331 N 2.18 0.53 -4.56 2.79 0.63 0.21 -1.71 116.66 116.72 1s9f n ARG 331 Ca -0.14 0.20 -0.24 0.00 -0.92 0.00 0.00 57.85 56.74 1s9f n ARG 331 Cb 0.53 -1.39 -0.14 0.00 0.45 0.00 0.00 32.46 31.91 1s9f n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s9f s ARG 332 N -2.45 1.27 0.01 -0.14 0.52 -0.88 -1.94 118.95 115.34 1s9f s ARG 332 Ca -0.33 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.00 1s9f s ARG 332 Cb 0.11 -1.35 -0.01 0.00 0.52 0.00 0.00 34.95 34.22 1s9f s ARG 332 CO 0.45 0.34 -0.03 -1.50 0.02 0.00 0.00 175.30 174.59 1s9f s ILE 333 N -0.81 0.20 0.09 1.52 1.10 -0.10 -0.83 121.20 122.39 1s9f s ILE 333 Ca 0.06 -0.33 -0.06 0.00 -0.51 0.00 0.00 60.65 59.81 1s9f s ILE 333 Cb -0.09 -0.22 0.02 0.00 0.15 0.00 0.00 42.46 42.33 1s9f s ILE 333 CO 0.02 -0.08 0.30 0.61 -2.11 0.00 0.00 174.94 173.68 1s9f n GLY 334 N 2.64 1.36 3.11 1.50 0.00 0.02 -1.12 105.19 112.69 1s9f n GLY 334 Ca -0.15 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1s9f n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9f s VAL 335 N -2.55 0.17 -0.05 1.61 0.11 -0.32 -1.14 120.40 118.23 1s9f s VAL 335 Ca 0.06 -1.42 -0.03 0.00 -2.93 0.00 0.00 61.98 57.67 1s9f s VAL 335 Cb -0.01 -1.21 0.03 0.00 -1.53 0.00 0.00 36.38 33.65 1s9f s VAL 335 CO 0.03 -0.78 0.13 -0.60 -3.33 0.00 0.00 175.10 170.55 1s9f s ARG 336 N -3.36 0.11 0.03 1.54 3.52 0.30 -1.65 118.95 119.43 1s9f s ARG 336 Ca 0.02 0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1s9f s ARG 336 Cb 0.03 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 1s9f s ARG 336 CO -0.08 -0.10 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.20 1s9f s PHE 337 N 0.71 2.91 0.26 5.12 0.08 0.47 -0.95 117.98 126.58 1s9f s PHE 337 Ca -0.05 -0.04 -0.05 0.00 0.12 0.00 0.00 56.93 56.91 1s9f s PHE 337 Cb -0.07 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1s9f s PHE 337 CO -0.03 0.41 0.44 -1.13 -0.10 0.00 0.00 175.22 174.81 1s9f n SER 338 N 1.23 -1.25 -3.24 1.36 3.41 -0.79 -1.08 113.62 113.27 1s9f n SER 338 Ca -0.14 -2.21 -0.13 0.00 -0.26 0.00 0.00 58.87 56.13 1s9f n SER 338 Cb 0.52 2.18 0.05 0.00 -0.26 0.00 0.00 64.21 66.71 1s9f n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s9f n LYS 339 N -0.39 -1.95 -2.57 4.33 5.02 -1.25 -1.96 118.16 119.38 1s9f n LYS 339 Ca -0.03 0.99 -0.38 0.00 -2.02 0.00 0.00 58.31 56.87 1s9f n LYS 339 Cb 0.41 -5.67 -0.05 0.00 -0.02 0.00 0.00 35.03 29.70 1s9f n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s9f s PHE 340 N -3.30 3.49 -2.00 2.13 0.08 -1.26 -1.44 117.98 115.68 1s9f s PHE 340 Ca 0.35 1.71 0.21 0.00 0.12 0.00 0.00 56.93 59.31 1s9f s PHE 340 Cb -0.05 -3.13 1.23 0.00 -0.57 0.00 0.00 43.02 40.49 1s9f s PHE 340 CO 0.75 -0.39 1.61 -0.89 -0.10 0.00 0.00 175.22 176.21