#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny0 h PRO 27 N 0.00 0.00 0.00 1.57 0.13 -1.98 0.17 132.00 131.89 1ny0 h PRO 27 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1ny0 h PRO 27 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ny0 h PRO 27 CO 0.00 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 178.57 1ny0 h GLU 28 N 0.00 0.00 -0.18 0.86 4.39 -2.00 -1.14 114.58 116.51 1ny0 h GLU 28 Ca 0.21 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.76 1ny0 h GLU 28 Cb 0.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1ny0 h GLU 28 CO -0.00 0.13 -0.51 1.15 -1.16 0.00 0.00 179.01 178.62 1ny0 h THR 29 N 0.00 1.32 0.00 1.13 2.02 -0.97 -2.68 112.91 113.74 1ny0 h THR 29 Ca -0.00 -1.74 -0.08 0.00 0.77 0.00 0.00 66.41 65.36 1ny0 h THR 29 Cb 0.27 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1ny0 h THR 29 CO 0.02 0.54 -0.38 -0.07 0.37 0.00 0.00 175.52 176.00 1ny0 h LEU 30 N 0.38 0.00 -0.63 2.58 3.38 -1.26 -0.71 115.31 119.05 1ny0 h LEU 30 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ny0 h LEU 30 Cb 1.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 1ny0 h LEU 30 CO 0.09 0.38 0.40 0.58 0.09 0.00 0.00 178.44 179.98 1ny0 h VAL 31 N 0.00 1.11 -0.35 1.22 2.07 -1.07 0.12 116.25 119.35 1ny0 h VAL 31 Ca -0.00 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1ny0 h VAL 31 Cb 0.67 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ny0 h VAL 31 CO 0.05 0.15 -0.35 0.50 0.02 0.00 0.00 177.57 177.93 1ny0 h LYS 32 N 0.80 0.80 -0.50 1.57 1.63 -1.05 0.04 116.57 119.85 1ny0 h LYS 32 Ca 0.24 -0.40 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 1ny0 h LYS 32 Cb -0.03 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1ny0 h LYS 32 CO -0.08 1.03 0.22 0.28 -3.45 0.00 0.00 179.45 177.45 1ny0 h VAL 33 N 0.66 1.20 -0.53 2.00 2.07 -0.73 0.17 116.25 121.10 1ny0 h VAL 33 Ca 0.06 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1ny0 h VAL 33 Cb 0.91 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ny0 h VAL 33 CO 0.08 0.23 0.00 0.50 0.02 0.00 0.00 177.57 178.41 1ny0 h LYS 34 N 0.67 0.90 -0.68 1.57 3.11 -0.58 -2.15 116.57 119.41 1ny0 h LYS 34 Ca 0.17 -0.26 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1ny0 h LYS 34 Cb 0.16 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.26 1ny0 h LYS 34 CO -0.02 0.90 0.36 -0.44 -2.81 0.00 0.00 179.45 177.44 1ny0 h ASP 35 N 0.84 0.85 -0.61 4.20 3.32 -0.45 -1.90 116.42 122.66 1ny0 h ASP 35 Ca 0.16 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ny0 h ASP 35 Cb 0.49 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1ny0 h ASP 35 CO 0.02 0.69 0.26 0.00 -1.72 0.00 0.00 179.24 178.49 1ny0 h ALA 36 N 1.44 0.79 -1.01 3.45 0.00 -0.37 0.22 119.26 123.80 1ny0 h ALA 36 Ca 0.24 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ny0 h ALA 36 Cb 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1ny0 h ALA 36 CO -0.04 0.40 0.66 0.93 0.00 0.00 0.00 179.25 181.20 1ny0 h GLU 37 N 0.85 1.26 0.05 0.00 5.08 -0.80 0.82 114.58 121.83 1ny0 h GLU 37 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ny0 h GLU 37 Cb 0.18 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ny0 h GLU 37 CO -0.02 0.84 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.36 1ny0 h ASP 38 N 1.30 -0.05 -0.69 1.42 3.32 -0.61 0.20 116.42 121.31 1ny0 h ASP 38 Ca 0.39 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1ny0 h ASP 38 Cb -0.05 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1ny0 h ASP 38 CO -0.11 0.28 0.38 1.56 -1.72 0.00 0.00 179.24 179.62 1ny0 h GLN 39 N -0.39 0.97 0.00 3.56 1.08 -0.30 -2.99 115.11 117.04 1ny0 h GLN 39 Ca -0.01 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1ny0 h GLN 39 Cb 0.35 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1ny0 h GLN 39 CO 0.01 0.72 -0.96 1.28 -0.95 0.00 0.00 178.83 178.93 1ny0 n LEU 40 N -4.36 0.70 -2.93 1.46 4.77 0.25 -4.97 117.00 111.92 1ny0 n LEU 40 Ca 0.07 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 1ny0 n LEU 40 Cb 0.10 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1ny0 n LEU 40 CO 0.38 -0.08 0.16 0.61 -1.33 0.00 0.00 177.39 177.13 1ny0 n GLY 41 N 1.28 -0.21 3.80 -0.72 0.00 0.67 -4.15 105.19 105.86 1ny0 n GLY 41 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1ny0 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ny0 s ALA 42 N -3.26 -1.16 0.29 4.61 0.00 -1.00 -4.54 121.76 116.71 1ny0 s ALA 42 Ca 0.32 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1ny0 s ALA 42 Cb -0.14 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 1ny0 s ALA 42 CO 0.57 -1.00 1.08 1.03 0.00 0.00 0.00 175.76 177.44 1ny0 s ARG 43 N -3.92 4.59 -0.06 0.00 0.52 -1.24 -4.36 118.95 114.48 1ny0 s ARG 43 Ca 0.11 1.73 0.02 0.00 -0.52 0.00 0.00 55.73 57.07 1ny0 s ARG 43 Cb -0.05 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.34 1ny0 s ARG 43 CO 0.06 0.19 -0.12 0.08 0.02 0.00 0.00 175.30 175.52 1ny0 s VAL 44 N -1.24 1.12 -0.06 3.52 1.01 -1.26 -3.04 120.40 120.45 1ny0 s VAL 44 Ca 0.46 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1ny0 s VAL 44 Cb -0.30 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1ny0 s VAL 44 CO 0.38 0.35 -0.02 -0.83 0.00 0.00 0.00 175.10 174.98 1ny0 s GLY 45 N 0.64 1.82 -0.13 4.51 0.00 0.67 -4.63 107.32 110.21 1ny0 s GLY 45 Ca -0.14 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1ny0 s GLY 45 CO 0.04 -0.64 0.34 -0.47 0.00 0.00 0.00 173.10 172.36 1ny0 s TYR 46 N -0.91 -0.38 -0.10 1.90 5.04 0.49 -1.38 117.35 122.01 1ny0 s TYR 46 Ca 0.14 0.93 -0.15 0.00 -2.44 0.00 0.00 57.07 55.55 1ny0 s TYR 46 Cb -0.11 0.13 0.04 0.00 0.35 0.00 0.00 41.96 42.36 1ny0 s TYR 46 CO 0.04 -0.19 0.38 -1.50 -1.34 0.00 0.00 175.55 172.94 1ny0 s ILE 47 N 0.29 0.02 -0.10 3.14 2.07 -0.81 -0.38 121.20 125.43 1ny0 s ILE 47 Ca -0.01 -0.14 -0.00 0.00 -1.41 0.00 0.00 60.65 59.09 1ny0 s ILE 47 Cb -0.03 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 41.99 1ny0 s ILE 47 CO -0.01 -0.08 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.16 1ny0 s GLU 48 N -0.32 1.52 0.04 3.50 2.12 -0.37 -1.62 118.70 123.57 1ny0 s GLU 48 Ca -0.05 -0.27 0.08 0.00 0.36 0.00 0.00 54.97 55.10 1ny0 s GLU 48 Cb -0.03 -1.54 -0.03 0.00 0.26 0.00 0.00 34.13 32.79 1ny0 s GLU 48 CO 0.02 -0.22 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.78 1ny0 s LEU 49 N 1.55 2.16 -0.05 2.70 1.43 -0.00 -0.02 118.68 126.44 1ny0 s LEU 49 Ca 0.02 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 1ny0 s LEU 49 Cb -0.13 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1ny0 s LEU 49 CO -0.06 0.21 1.26 -0.62 0.23 0.00 0.00 176.35 177.36 1ny0 s ASP 50 N -1.15 6.99 0.22 2.29 2.15 0.37 -0.69 116.67 126.84 1ny0 s ASP 50 Ca 0.09 1.88 -0.06 0.00 0.43 0.00 0.00 52.55 54.89 1ny0 s ASP 50 Cb -0.09 -2.56 0.20 0.00 -0.30 0.00 0.00 42.92 40.17 1ny0 s ASP 50 CO 0.02 -0.64 1.70 0.25 -0.17 0.00 0.00 175.17 176.33 1ny0 h LEU 51 N 8.40 0.92 0.65 -1.34 5.85 -1.18 0.26 115.31 128.86 1ny0 h LEU 51 Ca -0.34 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 1ny0 h LEU 51 Cb 1.16 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.95 1ny0 h LEU 51 CO 0.90 0.97 -0.31 -1.13 -0.34 0.00 0.00 178.44 178.52 1ny0 h ASN 52 N 0.87 -0.74 0.99 1.25 -1.24 -1.91 -3.36 115.58 111.44 1ny0 h ASN 52 Ca 0.16 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.03 1ny0 h ASN 52 Cb 0.50 0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1ny0 h ASN 52 CO 0.02 -0.36 -1.08 0.77 -1.29 0.00 0.00 177.43 175.50 1ny0 h SER 53 N -1.19 0.00 0.00 1.15 4.64 -1.94 -3.48 113.55 112.73 1ny0 h SER 53 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ny0 h SER 53 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1ny0 h SER 53 CO 0.15 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1ny0 n GLY 54 N 1.33 0.73 3.76 -0.77 0.00 0.92 -5.02 105.19 106.14 1ny0 n GLY 54 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1ny0 n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ny0 s LYS 55 N -0.30 4.50 -0.19 1.61 2.20 -1.25 -4.69 119.74 121.62 1ny0 s LYS 55 Ca 0.00 2.00 -0.28 0.00 -0.36 0.00 0.00 55.97 57.34 1ny0 s LYS 55 Cb 0.00 -3.14 -0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1ny0 s LYS 55 CO 0.00 -0.00 0.97 0.42 -0.36 0.00 0.00 175.35 176.38 1ny0 s ILE 56 N -1.05 4.76 -0.18 5.43 1.01 -1.26 -0.48 121.20 129.44 1ny0 s ILE 56 Ca 0.47 1.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.98 1ny0 s ILE 56 Cb -0.36 -4.25 -0.22 0.00 0.01 0.00 0.00 42.46 37.63 1ny0 s ILE 56 CO 0.46 -0.08 0.14 0.18 0.00 0.00 0.00 174.94 175.64 1ny0 n LEU 57 N 5.72 2.70 -3.68 2.97 4.77 0.97 -4.96 117.00 125.48 1ny0 n LEU 57 Ca 0.09 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1ny0 n LEU 57 Cb 0.47 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 1ny0 n LEU 57 CO 0.51 0.85 0.16 -1.61 -1.33 0.00 0.00 177.39 175.96 1ny0 s GLU 58 N -2.54 0.77 0.08 3.23 0.41 -1.15 -4.64 118.70 114.87 1ny0 s GLU 58 Ca -0.27 0.01 -0.20 0.00 -0.41 0.00 0.00 54.97 54.10 1ny0 s GLU 58 Cb 0.08 0.35 0.05 0.00 -1.78 0.00 0.00 34.13 32.83 1ny0 s GLU 58 CO 0.70 -0.22 0.47 -1.54 -0.49 0.00 0.00 175.26 174.18 1ny0 s SER 59 N -1.16 -0.36 -0.22 -0.19 1.04 -1.26 -1.23 113.70 110.32 1ny0 s SER 59 Ca -0.12 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 1ny0 s SER 59 Cb -0.03 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.67 1ny0 s SER 59 CO 0.06 -0.78 0.47 0.12 0.98 0.00 0.00 173.24 174.08 1ny0 s PHE 60 N -3.04 -0.89 -1.55 5.02 5.36 0.49 -4.88 117.98 118.49 1ny0 s PHE 60 Ca -0.02 1.66 -0.12 0.00 -0.96 0.00 0.00 56.93 57.50 1ny0 s PHE 60 Cb 0.00 0.40 0.09 0.00 -0.34 0.00 0.00 43.02 43.17 1ny0 s PHE 60 CO -0.06 -0.50 0.80 0.54 -1.46 0.00 0.00 175.22 174.53 1ny0 n ARG 61 N 5.28 -4.33 0.10 10.12 1.74 -1.26 -0.38 116.66 127.93 1ny0 n ARG 61 Ca -0.11 0.49 0.18 0.00 -0.77 0.00 0.00 57.85 57.64 1ny0 n ARG 61 Cb 0.50 -5.17 0.72 0.00 -1.02 0.00 0.00 32.46 27.48 1ny0 n ARG 61 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1ny0 h PRO 62 N -1.83 0.00 -0.35 5.56 0.13 -1.90 -2.63 132.00 130.98 1ny0 h PRO 62 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1ny0 h PRO 62 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1ny0 h PRO 62 CO 0.69 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 1ny0 n GLU 63 N -4.22 2.98 -3.37 0.86 1.02 -1.26 -1.58 120.64 115.06 1ny0 n GLU 63 Ca 0.06 -2.42 -0.34 0.00 -0.02 0.00 0.00 57.16 54.44 1ny0 n GLU 63 Cb 0.46 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1ny0 n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ny0 s GLU 64 N -1.72 3.93 0.27 3.49 2.02 -0.99 -4.96 118.70 120.74 1ny0 s GLU 64 Ca 0.33 0.44 -0.22 0.00 0.02 0.00 0.00 54.97 55.53 1ny0 s GLU 64 Cb 0.22 -2.85 -0.09 0.00 0.10 0.00 0.00 34.13 31.51 1ny0 s GLU 64 CO 0.14 0.43 0.81 1.03 0.02 0.00 0.00 175.26 177.70 1ny0 s ARG 65 N -2.19 4.38 0.02 1.61 0.52 -1.26 -4.15 118.95 117.87 1ny0 s ARG 65 Ca 0.40 1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 56.62 1ny0 s ARG 65 Cb -0.14 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 1ny0 s ARG 65 CO 0.20 0.34 0.07 -0.06 0.02 0.00 0.00 175.30 175.86 1ny0 s PHE 66 N -1.58 0.16 0.23 -0.53 0.40 -0.19 -4.97 117.98 111.50 1ny0 s PHE 66 Ca 0.46 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 1ny0 s PHE 66 Cb -0.17 -0.12 -0.10 0.00 0.51 0.00 0.00 43.02 43.14 1ny0 s PHE 66 CO 0.22 -0.26 1.39 -2.14 0.70 0.00 0.00 175.22 175.12 1ny0 s PRO 67 N -1.64 4.32 0.19 0.24 0.02 -1.26 -1.49 135.00 135.37 1ny0 s PRO 67 Ca -0.13 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 1ny0 s PRO 67 Cb -0.07 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 31.40 1ny0 s PRO 67 CO -0.00 -0.35 1.47 0.52 -0.33 0.00 0.00 177.00 178.30 1ny0 h MET 68 N 5.12 0.44 0.00 5.54 2.86 -1.73 -3.46 114.93 123.69 1ny0 h MET 68 Ca -0.46 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 56.86 1ny0 h MET 68 Cb 1.22 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1ny0 h MET 68 CO 0.77 0.95 0.00 -1.33 1.06 0.00 0.00 176.91 178.36 1ny0 n MET 69 N -3.88 0.00 0.05 1.72 2.81 -1.26 -2.33 117.12 114.23 1ny0 n MET 69 Ca -0.04 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.89 1ny0 n MET 69 Cb 0.67 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 33.39 1ny0 n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ny0 n SER 70 N -2.44 0.17 0.25 7.83 7.64 -1.26 -2.37 113.62 123.44 1ny0 n SER 70 Ca 0.00 0.57 0.17 0.00 1.01 0.00 0.00 58.87 60.62 1ny0 n SER 70 Cb 0.00 -0.60 0.86 0.00 -1.01 0.00 0.00 64.21 63.46 1ny0 n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1ny0 h THR 71 N 0.00 0.00 0.00 0.44 1.35 -1.51 -0.79 112.91 112.40 1ny0 h THR 71 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1ny0 h THR 71 Cb 0.06 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1ny0 h THR 71 CO 0.00 0.00 0.00 2.19 -0.25 0.00 0.00 175.52 177.46 1ny0 h PHE 72 N 0.00 0.00 0.00 4.73 -0.00 -1.65 -3.02 116.94 117.00 1ny0 h PHE 72 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1ny0 h PHE 72 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.09 1ny0 h PHE 72 CO 0.00 0.00 -0.02 0.87 -0.00 0.00 0.00 178.31 179.16 1ny0 h LYS 73 N 0.00 0.00 -0.20 6.09 1.57 -1.39 0.02 116.57 122.66 1ny0 h LYS 73 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1ny0 h LYS 73 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ny0 h LYS 73 CO 0.00 0.02 -0.65 0.28 -0.57 0.00 0.00 179.45 178.53 1ny0 h VAL 74 N 0.00 1.29 -0.55 0.50 2.07 -1.74 -1.72 116.25 116.10 1ny0 h VAL 74 Ca -0.00 -1.85 -0.06 0.00 0.82 0.00 0.00 66.70 65.61 1ny0 h VAL 74 Cb 0.04 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1ny0 h VAL 74 CO 0.00 0.59 0.08 -0.07 0.02 0.00 0.00 177.57 178.19 1ny0 h LEU 75 N 0.53 0.83 0.33 2.57 3.38 -1.29 -1.17 115.31 120.49 1ny0 h LEU 75 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1ny0 h LEU 75 Cb 1.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ny0 h LEU 75 CO 0.14 0.85 -0.18 0.25 0.09 0.00 0.00 178.44 179.58 1ny0 h LEU 76 N 0.83 -0.45 -1.70 1.67 5.85 -0.93 -1.23 115.31 119.36 1ny0 h LEU 76 Ca 0.17 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1ny0 h LEU 76 Cb 0.38 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1ny0 h LEU 76 CO 0.01 -0.30 -0.12 0.00 -0.34 0.00 0.00 178.44 177.69 1ny0 h GLY 78 N 1.33 -0.01 0.97 0.00 0.00 -0.71 0.86 103.07 105.51 1ny0 h GLY 78 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1ny0 h GLY 78 CO 0.02 -0.00 0.60 0.00 0.00 0.00 0.00 176.54 177.16 1ny0 h ALA 79 N 0.79 1.18 -0.02 3.60 0.00 -0.50 0.34 119.26 124.65 1ny0 h ALA 79 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ny0 h ALA 79 Cb 0.19 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ny0 h ALA 79 CO 0.00 0.53 0.01 0.28 0.00 0.00 0.00 179.25 180.08 1ny0 h VAL 80 N 1.22 1.05 -0.42 0.00 2.07 -0.83 -2.01 116.25 117.33 1ny0 h VAL 80 Ca 0.34 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ny0 h VAL 80 Cb -0.10 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1ny0 h VAL 80 CO -0.09 0.04 0.24 -0.07 0.02 0.00 0.00 177.57 177.71 1ny0 h LEU 81 N -0.03 0.49 -0.88 2.57 3.38 -0.31 -0.56 115.31 119.99 1ny0 h LEU 81 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ny0 h LEU 81 Cb 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1ny0 h LEU 81 CO -0.00 0.39 0.47 -1.28 0.09 0.00 0.00 178.44 178.11 1ny0 h SER 82 N 0.57 1.11 -0.34 -0.43 0.87 -0.50 0.75 113.55 115.57 1ny0 h SER 82 Ca 0.15 -0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 1ny0 h SER 82 Cb -0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1ny0 h SER 82 CO -0.03 0.90 -0.26 0.03 -0.53 0.00 0.00 176.83 176.94 1ny0 h ARG 83 N 1.23 0.85 -0.37 2.24 3.08 -0.44 -2.28 114.38 118.68 1ny0 h ARG 83 Ca 0.31 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ny0 h ARG 83 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ny0 h ARG 83 CO -0.05 1.01 0.23 0.28 -1.07 0.00 0.00 179.97 180.37 1ny0 h VAL 84 N 0.73 1.05 -0.90 2.04 2.07 -0.38 0.11 116.25 120.98 1ny0 h VAL 84 Ca 0.09 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1ny0 h VAL 84 Cb 0.81 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1ny0 h VAL 84 CO 0.07 0.08 0.55 0.44 0.02 0.00 0.00 177.57 178.74 1ny0 h ASP 85 N 0.46 0.86 -0.01 0.57 3.32 -0.67 -0.53 116.42 120.42 1ny0 h ASP 85 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ny0 h ASP 85 Cb -0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1ny0 h ASP 85 CO -0.06 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 1ny0 n ALA 86 N -2.36 2.64 -1.04 3.45 0.00 -0.84 -4.89 120.51 117.47 1ny0 n ALA 86 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1ny0 n ALA 86 Cb 0.22 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 1ny0 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ny0 n GLY 87 N 0.89 0.47 0.21 0.00 0.00 -0.21 -4.88 105.19 101.68 1ny0 n GLY 87 Ca 0.18 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1ny0 n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ny0 n GLN 88 N -2.11 0.75 -3.76 1.61 1.13 0.29 -4.91 117.38 110.38 1ny0 n GLN 88 Ca -0.01 -0.42 -0.10 0.00 -1.94 0.00 0.00 57.00 54.53 1ny0 n GLN 88 Cb 0.15 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 1ny0 n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ny0 s GLU 89 N -2.54 0.92 -0.07 -1.09 2.56 -1.15 -4.90 118.70 112.44 1ny0 s GLU 89 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 54.97 54.40 1ny0 s GLU 89 Cb 0.19 0.39 0.01 0.00 2.00 0.00 0.00 34.13 36.73 1ny0 s GLU 89 CO 0.53 -0.32 -0.11 -0.65 -0.56 0.00 0.00 175.26 174.14 1ny0 s GLN 90 N -3.74 1.60 0.51 4.30 1.11 -1.26 -4.25 119.66 117.93 1ny0 s GLN 90 Ca 0.03 -0.37 0.15 0.00 0.01 0.00 0.00 55.36 55.19 1ny0 s GLN 90 Cb 0.03 -1.35 1.23 0.00 -1.01 0.00 0.00 33.01 31.91 1ny0 s GLN 90 CO -0.11 -0.00 2.13 -0.07 0.01 0.00 0.00 175.29 177.26 1ny0 h LEU 91 N 7.05 0.02 -0.26 2.90 3.38 -1.97 -1.75 115.31 124.69 1ny0 h LEU 91 Ca -0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ny0 h LEU 91 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ny0 h LEU 91 CO 0.47 0.03 -0.05 0.61 0.09 0.00 0.00 178.44 179.59 1ny0 n GLY 92 N -1.50 -0.83 3.71 0.83 0.00 -1.26 -1.04 105.19 105.10 1ny0 n GLY 92 Ca -0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1ny0 n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ny0 s ARG 93 N -2.26 4.25 -0.02 1.61 3.52 -0.66 -4.76 118.95 120.63 1ny0 s ARG 93 Ca 0.36 2.25 -0.22 0.00 -0.13 0.00 0.00 55.73 57.99 1ny0 s ARG 93 Cb 0.21 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1ny0 s ARG 93 CO 0.42 -0.57 0.64 0.50 -0.81 0.00 0.00 175.30 175.48 1ny0 s ARG 94 N 1.40 4.38 -0.16 5.12 3.52 -1.26 -1.40 118.95 130.55 1ny0 s ARG 94 Ca 0.69 0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 57.07 1ny0 s ARG 94 Cb -0.40 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1ny0 s ARG 94 CO 0.31 0.26 -0.08 0.42 -0.81 0.00 0.00 175.30 175.39 1ny0 s ILE 95 N 0.16 3.34 -0.06 4.11 1.01 0.93 -4.94 121.20 125.75 1ny0 s ILE 95 Ca 0.34 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1ny0 s ILE 95 Cb -0.18 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1ny0 s ILE 95 CO 0.18 0.49 0.13 -1.00 0.00 0.00 0.00 174.94 174.74 1ny0 s HIS 96 N 0.69 3.50 0.33 3.97 3.76 -1.26 -1.51 115.29 124.77 1ny0 s HIS 96 Ca -0.04 0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1ny0 s HIS 96 Cb -0.15 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 1ny0 s HIS 96 CO 0.02 0.66 0.41 1.52 -0.85 0.00 0.00 174.74 176.50 1ny0 s TYR 97 N -1.14 1.23 0.31 1.40 1.13 -1.26 -5.04 117.35 113.98 1ny0 s TYR 97 Ca 0.20 -1.38 0.06 0.00 -1.41 0.00 0.00 57.07 54.54 1ny0 s TYR 97 Cb -0.12 -0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.44 1ny0 s TYR 97 CO 0.10 -1.04 0.25 -1.54 -2.51 0.00 0.00 175.55 170.81 1ny0 s SER 98 N -3.26 1.48 0.35 -0.18 1.04 -1.26 -4.87 113.70 106.99 1ny0 s SER 98 Ca 0.33 -1.70 0.13 0.00 0.48 0.00 0.00 55.95 55.19 1ny0 s SER 98 Cb 0.01 0.53 0.96 0.00 0.10 0.00 0.00 66.02 67.62 1ny0 s SER 98 CO 0.21 -1.02 1.74 -0.61 0.98 0.00 0.00 173.24 174.55 1ny0 h GLN 99 N 2.20 0.50 -0.97 4.02 4.15 -1.97 0.87 115.11 123.91 1ny0 h GLN 99 Ca -0.27 -0.03 0.21 0.00 0.77 0.00 0.00 58.65 59.33 1ny0 h GLN 99 Cb 1.24 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.73 1ny0 h GLN 99 CO 0.40 0.33 0.62 -0.91 -1.93 0.00 0.00 178.83 177.34 1ny0 h ASN 100 N 0.52 0.54 1.52 -0.69 2.35 -2.05 -1.15 115.58 116.62 1ny0 h ASN 100 Ca 0.63 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.45 1ny0 h ASN 100 Cb 1.33 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1ny0 h ASN 100 CO -0.41 0.19 0.00 0.44 -1.65 0.00 0.00 177.43 176.00 1ny0 h ASP 101 N 0.52 0.00 -3.04 5.81 3.32 -1.22 -3.45 116.42 118.35 1ny0 h ASP 101 Ca 0.53 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 57.03 1ny0 h ASP 101 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1ny0 h ASP 101 CO -0.27 0.00 0.74 -0.76 -1.72 0.00 0.00 179.24 177.23 1ny0 s LEU 102 N -5.24 4.27 0.45 1.55 1.43 -0.44 -4.87 118.68 115.85 1ny0 s LEU 102 Ca 0.08 1.84 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1ny0 s LEU 102 Cb 0.09 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1ny0 s LEU 102 CO 0.59 -0.62 0.19 0.68 0.23 0.00 0.00 176.35 177.42 1ny0 s VAL 103 N 2.37 1.98 0.35 -1.59 -7.23 -1.26 -5.07 120.40 109.95 1ny0 s VAL 103 Ca 0.57 -1.72 -0.28 0.00 -1.81 0.00 0.00 61.98 58.74 1ny0 s VAL 103 Cb -0.25 -2.70 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 1ny0 s VAL 103 CO 0.22 0.00 1.32 -1.84 -0.31 0.00 0.00 175.10 174.49 1ny0 n GLU 104 N -1.33 2.21 -2.96 4.82 0.28 -1.26 -3.87 120.64 118.54 1ny0 n GLU 104 Ca -0.04 0.78 -0.12 0.00 -0.16 0.00 0.00 57.16 57.62 1ny0 n GLU 104 Cb 0.65 -2.38 0.01 0.00 1.43 0.00 0.00 31.44 31.15 1ny0 n GLU 104 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1ny0 n TYR 105 N 0.36 -3.29 -3.10 -1.84 9.36 -1.26 -4.62 117.16 112.78 1ny0 n TYR 105 Ca 0.04 1.36 -0.19 0.00 3.32 0.00 0.00 57.90 62.43 1ny0 n TYR 105 Cb 0.36 -3.54 -0.03 0.00 -0.63 0.00 0.00 39.34 35.51 1ny0 n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1ny0 n SER 106 N -0.02 1.51 -0.32 2.98 7.64 -1.25 -1.83 113.62 122.32 1ny0 n SER 106 Ca 0.06 -3.10 0.16 0.00 1.01 0.00 0.00 58.87 57.00 1ny0 n SER 106 Cb 0.42 -0.60 0.40 0.00 -1.01 0.00 0.00 64.21 63.42 1ny0 n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ny0 h PRO 107 N 2.99 0.59 0.00 1.43 0.13 -1.94 -1.02 132.00 134.18 1ny0 h PRO 107 Ca 0.09 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.04 1ny0 h PRO 107 Cb 0.91 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1ny0 h PRO 107 CO 0.56 0.39 -0.91 0.28 -0.23 0.00 0.00 178.00 178.09 1ny0 h VAL 108 N 0.61 0.74 -0.39 1.56 2.07 -1.94 -3.38 116.25 115.51 1ny0 h VAL 108 Ca 0.56 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1ny0 h VAL 108 Cb 1.09 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1ny0 h VAL 108 CO -0.33 0.25 0.26 0.71 0.02 0.00 0.00 177.57 178.48 1ny0 h THR 109 N -1.00 1.09 0.00 2.57 1.35 -1.97 -1.06 112.91 113.89 1ny0 h THR 109 Ca -0.22 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1ny0 h THR 109 Cb 1.03 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1ny0 h THR 109 CO -0.13 0.09 0.00 1.05 -0.25 0.00 0.00 175.52 176.28 1ny0 h GLU 110 N 0.52 0.00 0.00 4.72 4.11 -1.38 -2.23 114.58 120.32 1ny0 h GLU 110 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.49 1ny0 h GLU 110 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ny0 h GLU 110 CO -0.03 0.00 -0.77 -0.22 0.07 0.00 0.00 179.01 178.06 1ny0 h LYS 111 N 0.00 0.00 -0.24 1.06 3.64 -1.37 -3.37 116.57 116.30 1ny0 h LYS 111 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1ny0 h LYS 111 Cb 0.25 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 1ny0 h LYS 111 CO 0.00 0.25 -0.17 0.72 -2.27 0.00 0.00 179.45 177.97 1ny0 n HIS 112 N -3.00 0.74 -0.26 1.91 8.25 -0.84 -4.79 115.22 117.23 1ny0 n HIS 112 Ca -0.01 -1.49 0.07 0.00 -0.26 0.00 0.00 57.72 56.03 1ny0 n HIS 112 Cb 0.69 -0.40 0.20 0.00 1.12 0.00 0.00 29.99 31.60 1ny0 n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ny0 h LEU 113 N 1.00 -0.02 -0.04 2.41 3.38 -1.71 0.78 115.31 121.11 1ny0 h LEU 113 Ca 0.14 0.16 -0.24 0.00 0.09 0.00 0.00 57.88 58.03 1ny0 h LEU 113 Cb 1.44 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 1ny0 h LEU 113 CO 0.26 -0.07 -1.07 0.71 0.09 0.00 0.00 178.44 178.36 1ny0 h THR 114 N 0.25 1.51 0.00 0.22 1.35 -1.89 -3.32 112.91 111.03 1ny0 h THR 114 Ca 0.44 -2.91 -0.15 0.00 -0.55 0.00 0.00 66.41 63.24 1ny0 h THR 114 Cb 0.79 2.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.91 1ny0 h THR 114 CO -0.55 0.85 -0.73 0.44 -0.25 0.00 0.00 175.52 175.28 1ny0 h ASP 115 N 0.10 0.00 -3.87 5.36 5.19 -1.79 -3.50 116.42 117.91 1ny0 h ASP 115 Ca -0.08 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.37 1ny0 h ASP 115 Cb 1.76 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.26 1ny0 h ASP 115 CO 0.17 0.73 -0.06 0.61 -3.12 0.00 0.00 179.24 177.56 1ny0 n GLY 116 N 0.99 -2.19 3.20 2.75 0.00 0.22 -4.97 105.19 105.18 1ny0 n GLY 116 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1ny0 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ny0 s MET 117 N -1.05 0.56 0.63 1.61 -1.94 -0.57 -4.87 119.30 113.67 1ny0 s MET 117 Ca 0.00 -0.10 -0.10 0.00 -1.71 0.00 0.00 55.69 53.78 1ny0 s MET 117 Cb 0.00 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 37.07 1ny0 s MET 117 CO 0.00 -0.14 1.02 0.95 -0.01 0.00 0.00 175.02 176.84 1ny0 s THR 118 N -1.00 4.30 0.23 2.05 -4.23 -1.26 -0.05 115.64 115.68 1ny0 s THR 118 Ca -0.11 0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1ny0 s THR 118 Cb -0.05 -3.73 0.19 0.00 1.34 0.00 0.00 72.50 70.26 1ny0 s THR 118 CO 0.03 -0.92 1.76 0.58 -0.54 0.00 0.00 174.62 175.52 1ny0 h VAL 119 N -0.35 0.76 -0.44 2.29 2.07 -0.97 0.13 116.25 119.74 1ny0 h VAL 119 Ca -0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ny0 h VAL 119 Cb 1.21 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1ny0 h VAL 119 CO 0.62 0.10 0.29 -0.09 0.02 0.00 0.00 177.57 178.51 1ny0 h ARG 120 N 0.53 0.57 -0.03 1.57 2.43 -1.39 -1.08 114.38 116.99 1ny0 h ARG 120 Ca 0.38 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.42 1ny0 h ARG 120 Cb 0.48 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1ny0 h ARG 120 CO -0.33 0.38 -0.41 0.93 -1.51 0.00 0.00 179.97 179.03 1ny0 h GLU 121 N 0.59 0.05 -0.23 0.20 5.08 -1.43 -1.76 114.58 117.08 1ny0 h GLU 121 Ca 0.16 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.29 1ny0 h GLU 121 Cb -0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ny0 h GLU 121 CO -0.03 0.46 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.72 1ny0 h LEU 122 N 0.05 0.97 -0.86 1.33 3.38 -0.31 -0.86 115.31 119.00 1ny0 h LEU 122 Ca 0.00 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 1ny0 h LEU 122 Cb 0.75 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ny0 h LEU 122 CO 0.06 1.37 -0.16 0.00 0.09 0.00 0.00 178.44 179.80 1ny0 h SER 124 N 0.61 0.45 -0.73 0.00 0.02 -1.20 -1.28 113.55 111.42 1ny0 h SER 124 Ca 0.10 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1ny0 h SER 124 Cb 0.61 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1ny0 h SER 124 CO 0.04 0.54 0.23 0.00 -1.14 0.00 0.00 176.83 176.50 1ny0 h ALA 125 N 0.93 0.95 -0.59 3.77 0.00 -0.95 0.12 119.26 123.49 1ny0 h ALA 125 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1ny0 h ALA 125 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ny0 h ALA 125 CO -0.00 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 1ny0 h ALA 126 N 1.11 0.80 0.14 0.00 0.00 -0.68 -1.82 119.26 118.81 1ny0 h ALA 126 Ca 0.23 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1ny0 h ALA 126 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ny0 h ALA 126 CO -0.01 0.64 -1.70 0.82 0.00 0.00 0.00 179.25 179.00 1ny0 h ILE 127 N 0.94 0.87 0.14 0.00 2.04 -1.13 -1.95 117.51 118.42 1ny0 h ILE 127 Ca 0.17 -2.41 -0.28 0.00 1.00 0.00 0.00 64.86 63.33 1ny0 h ILE 127 Cb 0.57 2.65 0.01 0.00 -0.74 0.00 0.00 36.82 39.31 1ny0 h ILE 127 CO 0.03 0.80 -1.25 0.71 0.00 0.00 0.00 178.15 178.44 1ny0 h THR 128 N -0.08 1.44 0.00 -0.27 1.35 -0.86 -3.37 112.91 111.13 1ny0 h THR 128 Ca -0.36 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 62.59 1ny0 h THR 128 Cb 1.94 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 71.27 1ny0 h THR 128 CO 0.10 0.86 -0.49 0.23 -0.25 0.00 0.00 175.52 175.96 1ny0 n MET 129 N -3.60 3.59 -2.57 4.72 2.81 -0.83 -2.32 117.12 118.92 1ny0 n MET 129 Ca -0.10 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.62 1ny0 n MET 129 Cb 1.02 -0.99 0.01 0.00 -0.71 0.00 0.00 33.22 32.55 1ny0 n MET 129 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ny0 n SER 130 N -1.25 -4.93 -4.68 7.83 2.88 -0.73 -4.91 113.62 107.83 1ny0 n SER 130 Ca 0.02 -0.12 -0.45 0.00 -1.33 0.00 0.00 58.87 57.00 1ny0 n SER 130 Cb 0.16 -3.92 -0.04 0.00 -0.75 0.00 0.00 64.21 59.67 1ny0 n SER 130 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ny0 n ASP 131 N -1.29 3.78 0.04 -3.46 -0.08 -0.81 -4.89 116.55 109.84 1ny0 n ASP 131 Ca -0.14 0.97 -0.17 0.00 -1.51 0.00 0.00 54.79 53.94 1ny0 n ASP 131 Cb 0.62 -1.47 -0.07 0.00 2.34 0.00 0.00 41.12 42.54 1ny0 n ASP 131 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1ny0 h ASN 132 N 9.03 0.75 -0.17 1.67 2.35 -1.62 -2.98 115.58 124.62 1ny0 h ASN 132 Ca -0.48 -0.58 -0.10 0.00 -0.55 0.00 0.00 56.30 54.60 1ny0 h ASN 132 Cb 1.25 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 1ny0 h ASN 132 CO 0.94 1.37 -0.22 0.74 -1.65 0.00 0.00 177.43 178.61 1ny0 h THR 133 N 0.35 1.27 -0.96 2.81 2.02 -1.85 -1.99 112.91 114.55 1ny0 h THR 133 Ca -0.09 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.85 1ny0 h THR 133 Cb 1.58 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 69.20 1ny0 h THR 133 CO 0.18 0.41 0.63 0.00 0.37 0.00 0.00 175.52 177.12 1ny0 h ALA 134 N 1.22 1.37 -0.52 6.16 0.00 -1.89 -0.56 119.26 125.03 1ny0 h ALA 134 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ny0 h ALA 134 Cb 0.67 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ny0 h ALA 134 CO 0.05 0.55 0.15 0.00 0.00 0.00 0.00 179.25 180.00 1ny0 h ALA 135 N 1.43 0.69 -0.75 0.00 0.00 -1.25 -1.44 119.26 117.94 1ny0 h ALA 135 Ca 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ny0 h ALA 135 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ny0 h ALA 135 CO -0.11 0.36 0.31 -0.91 0.00 0.00 0.00 179.25 178.90 1ny0 h ASN 136 N 0.72 1.03 -0.49 0.00 2.35 -0.69 0.15 115.58 118.66 1ny0 h ASN 136 Ca 0.17 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1ny0 h ASN 136 Cb 0.30 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1ny0 h ASN 136 CO -0.00 0.91 0.13 -0.07 -1.65 0.00 0.00 177.43 176.75 1ny0 h LEU 137 N 1.08 0.73 -0.66 1.61 3.38 -0.88 -1.89 115.31 118.67 1ny0 h LEU 137 Ca 0.25 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ny0 h LEU 137 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ny0 h LEU 137 CO -0.02 0.76 0.14 -0.07 0.09 0.00 0.00 178.44 179.34 1ny0 h LEU 138 N 0.66 1.03 -0.79 1.67 3.38 -0.98 -2.45 115.31 117.83 1ny0 h LEU 138 Ca 0.15 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ny0 h LEU 138 Cb 0.31 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1ny0 h LEU 138 CO -0.00 1.00 0.48 -0.07 0.09 0.00 0.00 178.44 179.94 1ny0 h LEU 139 N 1.00 0.74 -0.89 1.67 3.38 -0.40 -1.42 115.31 119.38 1ny0 h LEU 139 Ca 0.21 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ny0 h LEU 139 Cb 0.39 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1ny0 h LEU 139 CO 0.01 0.47 0.59 0.74 0.09 0.00 0.00 178.44 180.34 1ny0 h THR 140 N 0.87 1.22 0.00 0.22 2.02 -0.92 0.59 112.91 116.92 1ny0 h THR 140 Ca 0.35 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1ny0 h THR 140 Cb 0.18 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1ny0 h THR 140 CO -0.18 0.22 -0.15 0.71 0.37 0.00 0.00 175.52 176.50 1ny0 h THR 141 N 1.20 1.08 -0.02 3.16 1.35 -0.82 -2.80 112.91 116.07 1ny0 h THR 141 Ca 0.33 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1ny0 h THR 141 Cb -0.13 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1ny0 h THR 141 CO -0.07 0.14 -0.32 2.30 -0.25 0.00 0.00 175.52 177.32 1ny0 n ILE 142 N -4.33 0.00 0.00 6.82 -5.35 -0.99 -4.96 119.36 110.55 1ny0 n ILE 142 Ca -0.03 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1ny0 n ILE 142 Cb 0.21 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 1ny0 n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ny0 n GLY 143 N 1.39 1.05 1.63 3.28 0.00 -0.85 -4.75 105.19 106.95 1ny0 n GLY 143 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ny0 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ny0 n GLY 144 N -0.88 -2.54 0.36 -0.02 0.00 0.20 -3.93 105.19 98.37 1ny0 n GLY 144 Ca 0.00 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.51 1ny0 n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ny0 h PRO 145 N 0.00 0.73 -0.49 1.61 0.11 -1.85 -1.12 132.00 130.99 1ny0 h PRO 145 Ca 0.00 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.12 1ny0 h PRO 145 Cb 0.00 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 30.90 1ny0 h PRO 145 CO 0.00 0.48 0.22 0.87 -0.21 0.00 0.00 178.00 179.36 1ny0 h LYS 146 N 0.75 0.42 0.00 1.05 1.57 -1.77 -0.48 116.57 118.10 1ny0 h LYS 146 Ca 0.58 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 59.21 1ny0 h LYS 146 Cb 0.92 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1ny0 h LYS 146 CO -0.38 0.28 -0.60 0.93 -0.57 0.00 0.00 179.45 179.10 1ny0 h GLU 147 N 0.43 0.00 -0.28 3.15 4.39 -1.35 -1.05 114.58 119.87 1ny0 h GLU 147 Ca 0.22 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.82 1ny0 h GLU 147 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1ny0 h GLU 147 CO -0.19 0.60 -0.25 1.25 -1.16 0.00 0.00 179.01 179.27 1ny0 h LEU 148 N 0.00 0.70 -0.97 1.33 5.85 -0.84 -0.81 115.31 120.56 1ny0 h LEU 148 Ca -0.01 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1ny0 h LEU 148 Cb 1.13 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1ny0 h LEU 148 CO 0.08 1.01 0.39 0.74 -0.34 0.00 0.00 178.44 180.33 1ny0 h THR 149 N 0.39 1.24 -0.81 1.05 2.02 -0.99 -1.68 112.91 114.13 1ny0 h THR 149 Ca 0.05 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1ny0 h THR 149 Cb 0.80 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1ny0 h THR 149 CO 0.06 0.29 0.36 0.00 0.37 0.00 0.00 175.52 176.60 1ny0 h ALA 150 N 1.31 1.05 -0.60 6.16 0.00 -0.96 0.37 119.26 126.60 1ny0 h ALA 150 Ca 0.28 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ny0 h ALA 150 Cb 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ny0 h ALA 150 CO -0.04 0.65 0.39 0.35 0.00 0.00 0.00 179.25 180.61 1ny0 h PHE 151 N 1.17 0.75 -0.13 0.00 3.57 -0.50 0.14 116.94 121.94 1ny0 h PHE 151 Ca 0.28 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1ny0 h PHE 151 Cb 0.17 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ny0 h PHE 151 CO 0.02 0.46 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.37 1ny0 h LEU 152 N 0.80 0.33 -0.64 0.59 3.38 -1.01 -2.41 115.31 116.35 1ny0 h LEU 152 Ca 0.22 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1ny0 h LEU 152 Cb -0.08 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1ny0 h LEU 152 CO -0.05 0.74 0.36 -0.74 0.09 0.00 0.00 178.44 178.84 1ny0 h HIS 153 N -0.08 0.67 -0.01 1.13 2.76 -0.69 -0.28 115.15 118.65 1ny0 h HIS 153 Ca 0.02 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1ny0 h HIS 153 Cb 0.65 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1ny0 h HIS 153 CO 0.09 0.34 -0.14 -0.97 -1.30 0.00 0.00 177.93 175.94 1ny0 h ASN 154 N 0.69 0.01 -0.38 3.26 -0.73 -0.64 -1.69 115.58 116.10 1ny0 h ASN 154 Ca 0.28 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1ny0 h ASN 154 Cb 0.13 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1ny0 h ASN 154 CO -0.16 0.15 0.00 1.15 -0.37 0.00 0.00 177.43 178.21 1ny0 n MET 155 N -4.36 2.08 0.00 6.67 0.00 -0.56 -4.90 117.12 116.04 1ny0 n MET 155 Ca -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 57.70 56.23 1ny0 n MET 155 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.04 1ny0 n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ny0 n GLY 156 N 1.00 0.42 3.32 3.17 0.00 -0.64 -5.05 105.19 107.42 1ny0 n GLY 156 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1ny0 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ny0 s ASP 157 N -2.82 6.08 -0.16 1.61 -1.08 -0.22 -4.88 116.67 115.19 1ny0 s ASP 157 Ca 0.00 -1.62 0.17 0.00 -0.52 0.00 0.00 52.55 50.58 1ny0 s ASP 157 Cb 0.00 -2.16 0.76 0.00 -1.46 0.00 0.00 42.92 40.05 1ny0 s ASP 157 CO 0.00 -0.74 1.67 1.41 0.52 0.00 0.00 175.17 178.03 1ny0 n HIS 158 N 5.17 1.68 -0.07 -5.34 8.25 -1.26 -2.65 115.22 121.00 1ny0 n HIS 158 Ca -0.12 -0.66 -0.15 0.00 -0.26 0.00 0.00 57.72 56.52 1ny0 n HIS 158 Cb 0.42 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1ny0 n HIS 158 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ny0 n VAL 159 N 0.93 1.02 -1.96 1.59 0.31 -1.26 -4.99 118.33 113.97 1ny0 n VAL 159 Ca 0.27 -0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 64.05 1ny0 n VAL 159 Cb 1.00 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.12 1ny0 n VAL 159 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ny0 s THR 160 N -2.36 2.46 -0.15 2.52 2.01 -1.26 -4.77 115.64 114.09 1ny0 s THR 160 Ca -0.22 0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 1ny0 s THR 160 Cb 0.08 -3.26 0.05 0.00 0.01 0.00 0.00 72.50 69.37 1ny0 s THR 160 CO 0.29 0.08 0.37 0.00 -0.69 0.00 0.00 174.62 174.67 1ny0 s ARG 161 N -1.02 0.39 -0.12 4.92 1.70 -0.77 -4.85 118.95 119.21 1ny0 s ARG 161 Ca 0.57 0.62 -0.01 0.00 -0.47 0.00 0.00 55.73 56.44 1ny0 s ARG 161 Cb -0.43 0.08 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1ny0 s ARG 161 CO 0.50 -0.11 -0.08 -1.17 -1.08 0.00 0.00 175.30 173.36 1ny0 s LEU 162 N 0.79 3.04 -0.01 -1.89 2.96 -1.26 -2.38 118.68 119.92 1ny0 s LEU 162 Ca -0.05 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1ny0 s LEU 162 Cb -0.06 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1ny0 s LEU 162 CO -0.06 0.23 -0.00 0.47 -1.32 0.00 0.00 176.35 175.67 1ny0 n ASP 163 N 3.13 4.60 -3.86 3.68 9.92 -1.26 -4.37 116.55 128.39 1ny0 n ASP 163 Ca -0.18 -0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.85 1ny0 n ASP 163 Cb 0.53 0.39 -0.05 0.00 -0.64 0.00 0.00 41.12 41.34 1ny0 n ASP 163 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ny0 n ARG 164 N -2.15 1.01 -3.88 -1.24 1.74 -1.26 -4.85 116.66 106.02 1ny0 n ARG 164 Ca -0.01 -2.73 -0.26 0.00 -0.77 0.00 0.00 57.85 54.08 1ny0 n ARG 164 Cb 0.52 0.86 -0.01 0.00 -1.02 0.00 0.00 32.46 32.81 1ny0 n ARG 164 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ny0 s TRP 165 N -2.43 1.78 0.32 -1.55 0.52 -1.26 -4.74 118.94 111.59 1ny0 s TRP 165 Ca 0.03 -0.80 -0.27 0.00 0.02 0.00 0.00 56.10 55.08 1ny0 s TRP 165 Cb 0.00 -1.94 -0.09 0.00 -1.15 0.00 0.00 33.47 30.29 1ny0 s TRP 165 CO 0.02 -0.40 1.01 -1.21 0.02 0.00 0.00 176.95 176.40 1ny0 s GLU 166 N -4.24 4.52 0.00 4.98 0.41 -1.26 -1.46 118.70 121.65 1ny0 s GLU 166 Ca 0.35 1.53 0.24 0.00 -0.41 0.00 0.00 54.97 56.68 1ny0 s GLU 166 Cb -0.02 -2.90 0.33 0.00 -1.78 0.00 0.00 34.13 29.76 1ny0 s GLU 166 CO 0.22 0.18 1.29 -0.35 -0.49 0.00 0.00 175.26 176.11 1ny0 n PRO 167 N 0.69 0.49 0.06 0.39 -0.04 -1.26 -4.91 135.00 130.41 1ny0 n PRO 167 Ca 0.01 -0.34 0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1ny0 n PRO 167 Cb 0.48 -1.49 0.66 0.00 -0.04 0.00 0.00 33.50 33.11 1ny0 n PRO 167 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ny0 h GLU 168 N 0.84 0.04 0.00 0.54 3.07 -1.82 -2.55 114.58 114.70 1ny0 h GLU 168 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ny0 h GLU 168 Cb 0.55 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1ny0 h GLU 168 CO 0.00 0.02 0.00 1.47 -1.40 0.00 0.00 179.01 179.10 1ny0 n LEU 169 N -4.43 0.00 -1.08 1.33 -0.00 -0.53 -1.44 117.00 110.85 1ny0 n LEU 169 Ca 0.07 0.46 0.11 0.00 -0.00 0.00 0.00 56.01 56.65 1ny0 n LEU 169 Cb 0.46 -0.46 0.26 0.00 -0.00 0.00 0.00 43.42 43.69 1ny0 n LEU 169 CO 0.36 -0.35 0.73 0.59 -0.00 0.00 0.00 177.39 178.72 1ny0 n ASN 170 N -1.46 3.21 -0.08 1.45 3.02 -0.96 -4.55 115.26 115.89 1ny0 n ASN 170 Ca 0.02 -1.96 0.12 0.00 -0.03 0.00 0.00 54.58 52.73 1ny0 n ASN 170 Cb 0.07 -0.30 0.50 0.00 -0.61 0.00 0.00 39.78 39.45 1ny0 n ASN 170 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ny0 h GLU 171 N 3.90 0.39 -6.39 3.52 4.81 -1.44 -1.62 114.58 117.74 1ny0 h GLU 171 Ca 0.00 -0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 58.73 1ny0 h GLU 171 Cb 0.87 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 1ny0 h GLU 171 CO 0.00 0.26 -0.86 0.00 -0.73 0.00 0.00 179.01 177.68 1ny0 n ALA 172 N -2.52 -1.88 -2.10 2.92 0.00 -1.26 -4.47 120.51 111.20 1ny0 n ALA 172 Ca 0.10 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1ny0 n ALA 172 Cb 0.37 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 1ny0 n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ny0 s ILE 173 N -3.76 3.19 0.29 0.00 1.01 -1.26 -4.83 121.20 115.84 1ny0 s ILE 173 Ca 0.13 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 1ny0 s ILE 173 Cb -0.07 -3.57 -0.13 0.00 0.01 0.00 0.00 42.46 38.70 1ny0 s ILE 173 CO 0.87 0.09 1.26 -2.65 0.00 0.00 0.00 174.94 174.50 1ny0 n PRO 174 N 3.56 1.88 -0.34 2.79 -0.02 -1.26 -1.57 135.00 140.04 1ny0 n PRO 174 Ca 0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1ny0 n PRO 174 Cb 0.42 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1ny0 n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ny0 n ASN 175 N 1.36 0.00 -4.69 2.55 3.02 -1.26 -4.98 115.26 111.26 1ny0 n ASN 175 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1ny0 n ASN 175 Cb 0.33 -0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 1ny0 n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ny0 s ASP 176 N -2.91 7.19 0.00 6.41 2.15 -0.61 -4.94 116.67 123.96 1ny0 s ASP 176 Ca 0.00 1.70 0.26 0.00 0.43 0.00 0.00 52.55 54.94 1ny0 s ASP 176 Cb 0.00 -2.56 0.76 0.00 -0.30 0.00 0.00 42.92 40.82 1ny0 s ASP 176 CO 0.00 -0.46 1.59 -0.62 -0.17 0.00 0.00 175.17 175.50 1ny0 n GLU 177 N 4.78 0.10 -1.79 4.34 1.02 -1.26 -4.87 120.64 122.96 1ny0 n GLU 177 Ca 0.09 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 1ny0 n GLU 177 Cb 0.48 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 1ny0 n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ny0 s ARG 178 N -2.93 3.81 -1.52 3.49 0.52 -1.26 -2.97 118.95 118.09 1ny0 s ARG 178 Ca 0.14 2.49 -0.13 0.00 -0.52 0.00 0.00 55.73 57.70 1ny0 s ARG 178 Cb 0.18 -2.75 0.08 0.00 0.52 0.00 0.00 34.95 32.98 1ny0 s ARG 178 CO 0.63 -0.74 0.96 -0.25 0.02 0.00 0.00 175.30 175.92 1ny0 n ASP 179 N 0.00 -4.94 -4.57 0.23 8.00 -1.11 -4.93 116.55 109.24 1ny0 n ASP 179 Ca 0.04 -0.73 -0.27 0.00 0.71 0.00 0.00 54.79 54.54 1ny0 n ASP 179 Cb 0.41 -3.94 -0.11 0.00 -0.02 0.00 0.00 41.12 37.46 1ny0 n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ny0 s THR 180 N -3.28 2.12 0.26 -3.53 -4.23 -1.00 -2.04 115.64 103.94 1ny0 s THR 180 Ca 0.64 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1ny0 s THR 180 Cb -0.32 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1ny0 s THR 180 CO 0.79 -0.12 0.34 1.07 -0.54 0.00 0.00 174.62 176.16 1ny0 n THR 181 N -0.85 0.00 -4.36 3.99 5.66 -0.56 -1.84 114.28 116.31 1ny0 n THR 181 Ca -0.05 -1.44 -0.20 0.00 -3.05 0.00 0.00 64.05 59.31 1ny0 n THR 181 Cb 0.65 0.84 -0.10 0.00 -1.55 0.00 0.00 70.33 70.17 1ny0 n THR 181 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ny0 s THR 182 N -2.78 1.88 0.21 1.09 -4.23 -1.26 -1.02 115.64 109.53 1ny0 s THR 182 Ca 0.23 -2.18 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 1ny0 s THR 182 Cb -0.00 -2.04 0.14 0.00 1.34 0.00 0.00 72.50 71.94 1ny0 s THR 182 CO 0.17 -0.50 1.80 -0.65 -0.54 0.00 0.00 174.62 174.90 1ny0 h PRO 183 N 2.67 0.64 -0.39 3.99 0.11 -1.70 -1.53 132.00 135.79 1ny0 h PRO 183 Ca -0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1ny0 h PRO 183 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1ny0 h PRO 183 CO 0.59 0.42 0.19 0.00 -0.21 0.00 0.00 178.00 178.99 1ny0 h ALA 184 N 1.35 0.51 -0.20 -0.75 0.00 -1.63 -0.79 119.26 117.75 1ny0 h ALA 184 Ca 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ny0 h ALA 184 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ny0 h ALA 184 CO -0.19 0.07 0.10 0.00 0.00 0.00 0.00 179.25 179.23 1ny0 h ALA 185 N 1.04 0.25 -0.48 0.00 0.00 -1.72 -2.08 119.26 116.27 1ny0 h ALA 185 Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ny0 h ALA 185 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ny0 h ALA 185 CO -0.02 -0.20 0.08 1.98 0.00 0.00 0.00 179.25 181.09 1ny0 h MET 186 N 0.21 0.79 -0.37 0.00 -1.53 -1.23 -1.09 114.93 111.72 1ny0 h MET 186 Ca 0.07 -0.21 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 1ny0 h MET 186 Cb 0.08 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 1ny0 h MET 186 CO -0.01 0.80 0.23 0.00 0.14 0.00 0.00 176.91 178.07 1ny0 h ALA 187 N 0.96 0.47 -0.43 0.39 0.00 -1.05 0.21 119.26 119.81 1ny0 h ALA 187 Ca 0.15 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1ny0 h ALA 187 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ny0 h ALA 187 CO 0.01 -0.05 -0.30 1.79 0.00 0.00 0.00 179.25 180.70 1ny0 h THR 188 N 0.49 1.27 -0.67 0.00 1.35 -1.26 -1.53 112.91 112.55 1ny0 h THR 188 Ca 0.13 -1.47 -0.05 0.00 -0.55 0.00 0.00 66.41 64.48 1ny0 h THR 188 Cb -0.02 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 1ny0 h THR 188 CO -0.03 0.50 0.22 0.74 -0.25 0.00 0.00 175.52 176.70 1ny0 h THR 189 N 0.80 1.25 -0.66 6.82 2.02 -1.04 0.33 112.91 122.44 1ny0 h THR 189 Ca 0.09 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1ny0 h THR 189 Cb 0.89 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1ny0 h THR 189 CO 0.08 0.33 0.29 0.25 0.37 0.00 0.00 175.52 176.84 1ny0 h LEU 190 N 0.97 0.89 -0.82 2.58 5.85 -0.85 -1.31 115.31 122.61 1ny0 h LEU 190 Ca 0.22 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ny0 h LEU 190 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1ny0 h LEU 190 CO -0.01 0.79 0.51 -0.09 -0.34 0.00 0.00 178.44 179.30 1ny0 h ARG 191 N 0.92 1.10 -0.71 1.25 2.43 -0.65 -0.38 114.38 118.34 1ny0 h ARG 191 Ca 0.22 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1ny0 h ARG 191 Cb 0.16 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1ny0 h ARG 191 CO -0.02 0.77 0.25 0.87 -1.51 0.00 0.00 179.97 180.33 1ny0 h LYS 192 N 1.12 1.08 -0.55 0.20 1.57 -0.49 0.03 116.57 119.54 1ny0 h LYS 192 Ca 0.30 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1ny0 h LYS 192 Cb -0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1ny0 h LYS 192 CO -0.06 0.91 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.64 1ny0 h LEU 193 N 1.03 0.97 0.00 2.94 3.38 -0.69 0.52 115.31 123.45 1ny0 h LEU 193 Ca 0.23 -0.32 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1ny0 h LEU 193 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1ny0 h LEU 193 CO -0.01 1.05 -1.02 -0.07 0.09 0.00 0.00 178.44 178.48 1ny0 h LEU 194 N 0.86 0.00 -0.61 1.67 3.38 -0.90 -3.40 115.31 116.32 1ny0 h LEU 194 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ny0 h LEU 194 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ny0 h LEU 194 CO 0.03 0.96 0.00 0.35 0.09 0.00 0.00 178.44 179.87 1ny0 n THR 195 N -3.31 0.07 -2.02 0.22 -2.24 -0.02 -4.94 114.28 102.04 1ny0 n THR 195 Ca -0.01 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 1ny0 n THR 195 Cb 0.93 1.50 0.16 0.00 -2.10 0.00 0.00 70.33 70.82 1ny0 n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ny0 n GLY 196 N -0.04 -0.90 1.31 3.38 0.00 0.17 -4.97 105.19 104.15 1ny0 n GLY 196 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.31 1ny0 n GLY 196 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ny0 n GLU 197 N -3.28 3.05 -0.03 1.61 -0.58 -1.26 -4.38 120.64 115.77 1ny0 n GLU 197 Ca 0.15 -2.33 -0.12 0.00 -0.42 0.00 0.00 57.16 54.44 1ny0 n GLU 197 Cb 0.52 -1.71 -0.06 0.00 -0.57 0.00 0.00 31.44 29.62 1ny0 n GLU 197 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ny0 h LEU 198 N 3.46 0.17-10.06 -4.62 5.85 -1.91 -3.43 115.31 104.76 1ny0 h LEU 198 Ca 0.00 -0.20 -0.50 0.00 0.84 0.00 0.00 57.88 58.02 1ny0 h LEU 198 Cb 1.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1ny0 h LEU 198 CO 0.14 0.32 -0.47 -0.76 -0.34 0.00 0.00 178.44 177.33 1ny0 s LEU 199 N -9.77 4.19 0.79 2.25 1.43 -1.26 -4.99 118.68 111.31 1ny0 s LEU 199 Ca -0.14 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1ny0 s LEU 199 Cb 0.06 -2.74 0.06 0.00 0.03 0.00 0.00 46.19 43.60 1ny0 s LEU 199 CO 0.69 -0.02 1.10 0.42 0.23 0.00 0.00 176.35 178.77 1ny0 s THR 200 N -1.92 3.12 0.24 5.49 -4.23 -1.26 -4.75 115.64 112.34 1ny0 s THR 200 Ca 0.34 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 61.16 1ny0 s THR 200 Cb -0.09 -3.13 0.22 0.00 1.34 0.00 0.00 72.50 70.83 1ny0 s THR 200 CO 0.28 -0.48 1.85 -0.07 -0.54 0.00 0.00 174.62 175.66 1ny0 h LEU 201 N -1.04 0.85 -0.39 4.79 -0.00 -1.98 0.74 115.31 118.28 1ny0 h LEU 201 Ca -0.47 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.45 1ny0 h LEU 201 Cb 1.27 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 1ny0 h LEU 201 CO 0.60 0.54 0.21 0.00 -0.00 0.00 0.00 178.44 179.79 1ny0 h ALA 202 N 1.40 0.49 -0.34 1.53 0.00 -1.99 -1.15 119.26 119.19 1ny0 h ALA 202 Ca 0.37 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1ny0 h ALA 202 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ny0 h ALA 202 CO -0.17 -0.15 -0.37 0.77 0.00 0.00 0.00 179.25 179.33 1ny0 h SER 203 N 0.42 0.93 -0.79 0.00 0.02 -1.74 -0.87 113.55 111.52 1ny0 h SER 203 Ca 0.16 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1ny0 h SER 203 Cb 0.06 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.27 1ny0 h SER 203 CO -0.10 1.21 0.47 0.03 -1.14 0.00 0.00 176.83 177.30 1ny0 h ARG 204 N 0.66 0.83 -0.12 3.45 3.08 -0.69 0.32 114.38 121.90 1ny0 h ARG 204 Ca 0.05 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1ny0 h ARG 204 Cb 0.97 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1ny0 h ARG 204 CO 0.09 0.55 -0.66 0.37 -1.07 0.00 0.00 179.97 179.25 1ny0 h GLN 205 N 0.85 0.48 -0.63 0.04 5.75 -1.07 -1.72 115.11 118.81 1ny0 h GLN 205 Ca 0.35 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1ny0 h GLN 205 Cb 0.19 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1ny0 h GLN 205 CO -0.18 0.98 0.30 0.37 -2.65 0.00 0.00 178.83 177.65 1ny0 h GLN 206 N 0.35 0.91 -0.38 1.69 5.75 -0.48 0.51 115.11 123.46 1ny0 h GLN 206 Ca -0.02 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1ny0 h GLN 206 Cb 1.23 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 1ny0 h GLN 206 CO 0.12 0.73 0.12 1.25 -2.65 0.00 0.00 178.83 178.40 1ny0 h LEU 207 N 0.87 0.55 -0.60 -2.39 5.85 -0.83 -0.67 115.31 118.09 1ny0 h LEU 207 Ca 0.22 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ny0 h LEU 207 Cb 0.12 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1ny0 h LEU 207 CO -0.03 0.61 0.26 0.40 -0.34 0.00 0.00 178.44 179.34 1ny0 h ILE 208 N 0.47 1.22 -0.65 4.05 2.04 -0.93 -1.66 117.51 122.05 1ny0 h ILE 208 Ca 0.12 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1ny0 h ILE 208 Cb 0.25 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1ny0 h ILE 208 CO -0.00 0.27 0.42 0.44 0.00 0.00 0.00 178.15 179.28 1ny0 h ASP 209 N 0.83 0.73 -0.63 1.72 3.32 0.34 0.40 116.42 123.13 1ny0 h ASP 209 Ca 0.20 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1ny0 h ASP 209 Cb 0.17 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1ny0 h ASP 209 CO -0.02 0.52 0.24 -0.50 -1.72 0.00 0.00 179.24 177.76 1ny0 h TRP 210 N 0.86 0.97 0.00 4.55 6.55 -0.81 -2.64 115.95 125.43 1ny0 h TRP 210 Ca 0.24 -0.08 -0.06 0.00 0.95 0.00 0.00 58.89 59.94 1ny0 h TRP 210 Cb -0.07 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.93 1ny0 h TRP 210 CO -0.03 0.77 -0.29 0.52 -1.05 0.00 0.00 178.44 178.36 1ny0 h MET 211 N 0.89 0.00 0.00 0.49 2.86 -0.69 -2.68 114.93 115.80 1ny0 h MET 211 Ca 0.21 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1ny0 h MET 211 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1ny0 h MET 211 CO -0.02 0.29 -0.36 1.49 1.06 0.00 0.00 176.91 179.37 1ny0 h GLU 212 N 0.00 0.00 -6.85 1.72 4.81 -0.57 -1.92 114.58 111.77 1ny0 h GLU 212 Ca -0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.75 1ny0 h GLU 212 Cb 0.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1ny0 h GLU 212 CO 0.04 0.36 0.24 0.00 -0.73 0.00 0.00 179.01 178.92 1ny0 s ALA 213 N -4.01 3.22 -0.20 2.92 0.00 -1.01 -4.90 121.76 117.78 1ny0 s ALA 213 Ca -0.02 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1ny0 s ALA 213 Cb 0.13 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.35 1ny0 s ALA 213 CO 0.70 0.22 0.92 0.34 0.00 0.00 0.00 175.76 177.94 1ny0 s ASP 214 N -1.95 -0.50 0.00 0.00 2.15 -1.26 -4.53 116.67 110.58 1ny0 s ASP 214 Ca 0.53 0.77 0.00 0.00 0.43 0.00 0.00 52.55 54.28 1ny0 s ASP 214 Cb -0.13 0.71 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 1ny0 s ASP 214 CO 0.18 -0.30 0.23 0.29 -0.17 0.00 0.00 175.17 175.40 1ny0 n LYS 215 N 1.57 0.00 0.00 4.34 4.76 -0.98 -4.90 118.16 122.95 1ny0 n LYS 215 Ca -0.13 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 1ny0 n LYS 215 Cb 0.57 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 1ny0 n LYS 215 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1ny0 n VAL 216 N 0.00 0.00 -0.74 -0.18 0.24 -1.25 -4.82 118.33 111.57 1ny0 n VAL 216 Ca 0.00 -0.12 0.08 0.00 -2.04 0.00 0.00 64.34 62.27 1ny0 n VAL 216 Cb 0.38 0.88 0.36 0.00 -1.47 0.00 0.00 33.84 33.98 1ny0 n VAL 216 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ny0 n ALA 217 N -0.29 3.31 -0.36 2.33 0.00 -1.26 -4.61 120.51 119.63 1ny0 n ALA 217 Ca 0.00 -1.77 0.06 0.00 0.00 0.00 0.00 53.44 51.73 1ny0 n ALA 217 Cb 0.00 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.67 1ny0 n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ny0 h GLY 218 N 3.76 1.60 2.00 0.00 0.00 -1.94 -2.37 103.07 106.13 1ny0 h GLY 218 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ny0 h GLY 218 CO 0.31 0.20 0.00 -1.05 0.00 0.00 0.00 176.54 176.01 1ny0 n PRO 219 N -4.59 0.03 0.00 4.80 -0.02 -1.26 -2.56 135.00 131.39 1ny0 n PRO 219 Ca 0.18 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ny0 n PRO 219 Cb 0.31 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1ny0 n PRO 219 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ny0 n LEU 220 N -1.61 0.00 -0.29 2.45 4.77 -0.89 -4.52 117.00 116.91 1ny0 n LEU 220 Ca 0.04 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1ny0 n LEU 220 Cb 0.21 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.58 1ny0 n LEU 220 CO 0.17 0.00 1.24 -0.07 -1.33 0.00 0.00 177.39 177.40 1ny0 h LEU 221 N 0.00 0.84 -1.72 2.23 3.38 -1.84 -2.30 115.31 115.89 1ny0 h LEU 221 Ca 0.00 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1ny0 h LEU 221 Cb 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1ny0 h LEU 221 CO 0.00 0.51 0.48 0.03 0.09 0.00 0.00 178.44 179.55 1ny0 h ARG 222 N 0.93 0.27 0.00 1.13 3.08 -1.77 -0.86 114.38 117.16 1ny0 h ARG 222 Ca 0.41 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1ny0 h ARG 222 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ny0 h ARG 222 CO -0.17 0.18 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 1ny0 h SER 223 N 0.28 0.00 -0.00 7.04 4.64 -1.13 -2.85 113.55 121.52 1ny0 h SER 223 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1ny0 h SER 223 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1ny0 h SER 223 CO -0.08 0.00 -0.65 0.00 -0.87 0.00 0.00 176.83 175.22 1ny0 n ALA 224 N -1.82 3.87 -2.49 5.18 0.00 -0.35 -4.99 120.51 119.90 1ny0 n ALA 224 Ca 0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 1ny0 n ALA 224 Cb 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 1ny0 n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ny0 s LEU 225 N -2.59 4.43 0.56 0.00 2.96 -1.08 -4.78 118.68 118.18 1ny0 s LEU 225 Ca 0.08 1.66 -0.19 0.00 -0.22 0.00 0.00 54.13 55.46 1ny0 s LEU 225 Cb 0.12 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1ny0 s LEU 225 CO 0.60 -0.14 1.11 -2.84 -1.32 0.00 0.00 176.35 173.76 1ny0 s PRO 226 N 0.46 3.32 0.38 0.98 0.02 -1.26 -4.92 135.00 133.97 1ny0 s PRO 226 Ca 0.47 1.53 0.16 0.00 0.02 0.00 0.00 61.00 63.18 1ny0 s PRO 226 Cb -0.22 -2.01 1.04 0.00 0.02 0.00 0.00 34.50 33.33 1ny0 s PRO 226 CO 0.27 -0.86 1.76 0.00 -0.33 0.00 0.00 177.00 177.85 1ny0 h ALA 227 N 1.02 2.10 0.00 -1.55 0.00 -1.96 -1.97 119.26 116.90 1ny0 h ALA 227 Ca -0.49 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ny0 h ALA 227 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ny0 h ALA 227 CO 0.57 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ny0 n GLY 228 N -1.43 -1.31 3.80 0.00 0.00 -1.26 -4.87 105.19 100.12 1ny0 n GLY 228 Ca 0.26 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ny0 n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ny0 s TRP 229 N -2.95 3.00 -0.00 1.61 0.52 -0.74 0.06 118.94 120.44 1ny0 s TRP 229 Ca 0.13 1.53 -0.07 0.00 0.02 0.00 0.00 56.10 57.71 1ny0 s TRP 229 Cb 0.16 -3.03 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 1ny0 s TRP 229 CO 0.44 -1.00 0.27 0.12 0.02 0.00 0.00 176.95 176.80 1ny0 s PHE 230 N -2.28 3.59 -0.21 -1.98 2.19 0.46 -4.58 117.98 115.18 1ny0 s PHE 230 Ca 0.65 0.61 -0.11 0.00 0.33 0.00 0.00 56.93 58.41 1ny0 s PHE 230 Cb -0.16 -2.01 0.07 0.00 -1.31 0.00 0.00 43.02 39.61 1ny0 s PHE 230 CO 0.30 0.62 0.50 -1.50 1.83 0.00 0.00 175.22 176.98 1ny0 s ILE 231 N -1.26 -0.18 -0.16 3.12 2.07 -1.26 -1.79 121.20 121.74 1ny0 s ILE 231 Ca 0.26 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.58 1ny0 s ILE 231 Cb -0.13 -0.75 0.02 0.00 0.13 0.00 0.00 42.46 41.73 1ny0 s ILE 231 CO 0.15 0.03 -0.16 0.00 -1.91 0.00 0.00 174.94 173.05 1ny0 s ALA 232 N 1.76 2.01 0.31 1.50 0.00 -0.31 -4.38 121.76 122.64 1ny0 s ALA 232 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1ny0 s ALA 232 Cb -0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1ny0 s ALA 232 CO -0.15 -0.37 0.35 0.16 0.00 0.00 0.00 175.76 175.74 1ny0 s ASP 233 N 1.42 0.94 -0.22 0.00 1.47 -0.72 -1.12 116.67 118.44 1ny0 s ASP 233 Ca 0.05 -1.51 -0.10 0.00 1.18 0.00 0.00 52.55 52.17 1ny0 s ASP 233 Cb -0.13 0.57 0.09 0.00 -0.34 0.00 0.00 42.92 43.11 1ny0 s ASP 233 CO -0.11 -1.13 0.51 -0.75 0.68 0.00 0.00 175.17 174.37 1ny0 s LYS 234 N -3.46 0.47 0.44 2.11 2.47 -0.55 -4.65 119.74 116.56 1ny0 s LYS 234 Ca 0.35 1.07 0.08 0.00 -1.56 0.00 0.00 55.97 55.91 1ny0 s LYS 234 Cb 0.02 0.28 0.01 0.00 -1.46 0.00 0.00 37.83 36.68 1ny0 s LYS 234 CO 0.20 -0.19 0.53 -1.54 0.16 0.00 0.00 175.35 174.51 1ny0 s SER 235 N 2.10 5.41 0.02 1.43 1.04 -1.26 -1.31 113.70 121.12 1ny0 s SER 235 Ca -0.07 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.63 1ny0 s SER 235 Cb -0.09 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.54 1ny0 s SER 235 CO -0.15 -0.79 0.36 -0.83 0.98 0.00 0.00 173.24 172.80 1ny0 s GLY 236 N -4.32 -0.20 -0.07 7.32 0.00 -0.01 -3.53 107.32 106.52 1ny0 s GLY 236 Ca 0.53 0.27 -0.10 0.00 0.00 0.00 0.00 44.72 45.42 1ny0 s GLY 236 CO 0.32 0.04 0.27 0.00 0.00 0.00 0.00 173.10 173.72 1ny0 s ALA 237 N -2.03 -0.66 0.00 3.20 0.00 -1.26 -1.36 121.76 119.64 1ny0 s ALA 237 Ca -0.08 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1ny0 s ALA 237 Cb -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1ny0 s ALA 237 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1ny0 n GLY 238 N 2.40 3.27 3.76 0.00 0.00 -0.69 -4.62 105.19 109.31 1ny0 n GLY 238 Ca -0.16 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1ny0 n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ny0 s GLU 240 N -1.41 0.50 -1.47 1.61 2.02 -0.61 -3.72 118.70 115.62 1ny0 s GLU 240 Ca 0.00 0.12 -0.11 0.00 0.02 0.00 0.00 54.97 55.00 1ny0 s GLU 240 Cb 0.00 -1.78 0.06 0.00 0.10 0.00 0.00 34.13 32.51 1ny0 s GLU 240 CO 0.00 -2.60 0.89 0.54 0.02 0.00 0.00 175.26 174.11 1ny0 n ARG 241 N -4.01 -5.54 -1.10 1.61 1.74 -1.26 -1.93 116.66 106.17 1ny0 n ARG 241 Ca 0.09 0.67 -0.03 0.00 -0.77 0.00 0.00 57.85 57.81 1ny0 n ARG 241 Cb 0.59 -5.56 -0.01 0.00 -1.02 0.00 0.00 32.46 26.46 1ny0 n ARG 241 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ny0 n GLY 242 N -1.65 0.47 3.75 -0.13 0.00 -1.22 -0.31 105.19 106.11 1ny0 n GLY 242 Ca 0.01 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ny0 n GLY 242 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ny0 s SER 243 N -2.20 6.67 -0.10 1.61 0.01 -0.81 -4.42 113.70 114.46 1ny0 s SER 243 Ca 0.00 2.68 -0.25 0.00 1.31 0.00 0.00 55.95 59.69 1ny0 s SER 243 Cb 0.00 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.66 1ny0 s SER 243 CO 0.00 -0.67 0.59 -0.60 0.41 0.00 0.00 173.24 172.97 1ny0 s ARG 244 N -0.75 0.88 0.14 12.44 6.06 -0.30 -1.70 118.95 135.72 1ny0 s ARG 244 Ca 0.57 0.37 -0.25 0.00 -2.50 0.00 0.00 55.73 53.92 1ny0 s ARG 244 Cb -0.41 0.41 0.07 0.00 0.06 0.00 0.00 34.95 35.08 1ny0 s ARG 244 CO 0.46 -0.22 1.01 0.20 -2.50 0.00 0.00 175.30 174.25 1ny0 s GLY 245 N -0.73 -0.17 -0.18 8.12 0.00 -0.47 -1.05 107.32 112.84 1ny0 s GLY 245 Ca -0.08 0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.46 1ny0 s GLY 245 CO 0.06 0.53 0.68 -1.50 0.00 0.00 0.00 173.10 172.86 1ny0 s ILE 246 N -2.94 0.00 0.02 0.90 2.07 -0.03 -0.83 121.20 120.39 1ny0 s ILE 246 Ca 0.15 -0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.45 1ny0 s ILE 246 Cb -0.01 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 1ny0 s ILE 246 CO 0.02 -0.01 -0.22 0.27 -1.91 0.00 0.00 174.94 173.09 1ny0 s ILE 247 N -0.19 1.78 0.02 2.00 -4.36 -0.43 -1.18 121.20 118.85 1ny0 s ILE 247 Ca -0.04 -1.14 -0.28 0.00 -0.26 0.00 0.00 60.65 58.93 1ny0 s ILE 247 Cb -0.03 -1.52 0.07 0.00 1.25 0.00 0.00 42.46 42.23 1ny0 s ILE 247 CO 0.04 0.35 0.67 0.00 0.24 0.00 0.00 174.94 176.24 1ny0 s ALA 248 N -0.69 -1.72 -0.16 2.27 0.00 -0.29 -1.49 121.76 119.68 1ny0 s ALA 248 Ca 0.09 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1ny0 s ALA 248 Cb -0.09 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 1ny0 s ALA 248 CO 0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 175.76 175.09 1ny0 s ALA 249 N -2.14 2.48 0.13 0.00 0.00 -0.27 -0.87 121.76 121.09 1ny0 s ALA 249 Ca -0.06 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 1ny0 s ALA 249 Cb -0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1ny0 s ALA 249 CO 0.01 -0.05 0.21 -0.48 0.00 0.00 0.00 175.76 175.45 1ny0 s LEU 250 N 0.85 1.27 -0.30 0.00 2.34 -0.29 -1.17 118.68 121.39 1ny0 s LEU 250 Ca -0.05 -0.85 -0.38 0.00 0.06 0.00 0.00 54.13 52.91 1ny0 s LEU 250 Cb -0.15 0.99 0.16 0.00 -0.56 0.00 0.00 46.19 46.63 1ny0 s LEU 250 CO -0.01 -0.81 1.40 -0.83 -1.06 0.00 0.00 176.35 175.04 1ny0 s GLY 251 N -2.94 -0.17 0.72 -3.48 0.00 -0.74 -0.83 107.32 99.88 1ny0 s GLY 251 Ca 0.14 2.01 -0.12 0.00 0.00 0.00 0.00 44.72 46.74 1ny0 s GLY 251 CO -0.04 0.68 1.10 2.56 0.00 0.00 0.00 173.10 177.40 1ny0 s PRO 252 N -1.94 2.48 -1.23 2.90 0.04 -1.24 -0.40 135.00 135.60 1ny0 s PRO 252 Ca 0.12 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 1ny0 s PRO 252 Cb -0.01 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ny0 s PRO 252 CO -0.03 -1.48 0.65 -3.47 0.04 0.00 0.00 177.00 172.71 1ny0 n ASP 254 N -3.04 -3.66 0.00 6.66 4.64 -1.18 -2.54 116.55 117.44 1ny0 n ASP 254 Ca 0.10 -1.11 0.00 0.00 -1.38 0.00 0.00 54.79 52.40 1ny0 n ASP 254 Cb 0.53 -2.76 0.00 0.00 -1.04 0.00 0.00 41.12 37.85 1ny0 n ASP 254 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ny0 n GLY 255 N -1.90 0.16 2.97 0.27 0.00 0.11 -4.90 105.19 101.89 1ny0 n GLY 255 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1ny0 n GLY 255 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ny0 s LYS 256 N -1.30 1.77 0.35 1.61 2.20 -1.05 -4.70 119.74 118.61 1ny0 s LYS 256 Ca 0.00 -0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 1ny0 s LYS 256 Cb 0.00 -1.66 -0.09 0.00 -1.51 0.00 0.00 37.83 34.57 1ny0 s LYS 256 CO 0.00 -0.17 1.16 -1.25 -0.36 0.00 0.00 175.35 174.73 1ny0 s PRO 257 N 1.34 4.30 0.00 4.03 0.04 -1.26 -3.64 135.00 139.82 1ny0 s PRO 257 Ca -0.01 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ny0 s PRO 257 Cb -0.14 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1ny0 s PRO 257 CO -0.05 -0.11 0.01 -1.13 0.04 0.00 0.00 177.00 175.77 1ny0 n SER 258 N 0.53 0.03 -3.95 6.66 3.41 -0.01 -4.83 113.62 115.47 1ny0 n SER 258 Ca 0.02 -0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 58.22 1ny0 n SER 258 Cb 0.45 0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1ny0 n SER 258 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ny0 s ARG 259 N -0.07 0.67 -0.09 4.33 0.52 -0.83 -0.65 118.95 122.84 1ny0 s ARG 259 Ca 0.00 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1ny0 s ARG 259 Cb 0.00 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.72 1ny0 s ARG 259 CO 0.00 -0.17 -0.19 0.42 0.02 0.00 0.00 175.30 175.37 1ny0 s ILE 260 N -3.35 2.56 -0.03 1.52 1.01 0.13 -1.14 121.20 121.90 1ny0 s ILE 260 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.85 1ny0 s ILE 260 Cb 0.03 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1ny0 s ILE 260 CO -0.08 0.56 -0.18 -0.69 0.00 0.00 0.00 174.94 174.54 1ny0 s VAL 261 N -0.02 1.48 -0.05 2.92 1.01 -0.05 -0.82 120.40 124.87 1ny0 s VAL 261 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ny0 s VAL 261 Cb -0.15 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1ny0 s VAL 261 CO 0.05 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 174.82 1ny0 s VAL 262 N -0.18 0.64 -0.04 2.92 1.01 -0.64 -1.14 120.40 122.97 1ny0 s VAL 262 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1ny0 s VAL 262 Cb -0.10 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1ny0 s VAL 262 CO 0.01 0.25 -0.02 -0.63 0.00 0.00 0.00 175.10 174.71 1ny0 s ILE 263 N 0.96 0.35 0.07 2.22 1.01 -0.32 -1.92 121.20 123.57 1ny0 s ILE 263 Ca -0.10 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1ny0 s ILE 263 Cb -0.14 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1ny0 s ILE 263 CO 0.00 0.18 -0.10 -0.31 0.00 0.00 0.00 174.94 174.72 1ny0 s TYR 264 N 0.97 0.93 -0.07 3.97 2.02 -0.48 -0.85 117.35 123.85 1ny0 s TYR 264 Ca -0.10 -0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 55.86 1ny0 s TYR 264 Cb -0.14 -0.53 0.03 0.00 -0.40 0.00 0.00 41.96 40.93 1ny0 s TYR 264 CO -0.01 -0.03 0.39 -0.08 -1.57 0.00 0.00 175.55 174.25 1ny0 s THR 265 N -1.89 0.03 0.02 -0.71 -1.32 -0.22 -0.24 115.64 111.32 1ny0 s THR 265 Ca -0.01 -0.25 -0.17 0.00 -1.21 0.00 0.00 61.69 60.05 1ny0 s THR 265 Cb -0.06 -0.64 0.03 0.00 -1.51 0.00 0.00 72.50 70.32 1ny0 s THR 265 CO 0.00 -0.14 0.38 0.28 -2.21 0.00 0.00 174.62 172.93 1ny0 s THR 266 N -0.74 0.06 0.00 5.08 -1.32 -1.17 -1.15 115.64 116.39 1ny0 s THR 266 Ca -0.08 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1ny0 s THR 266 Cb -0.04 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1ny0 s THR 266 CO 0.04 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1ny0 n GLY 267 N 0.81 1.24 3.78 6.08 0.00 0.58 -3.61 105.19 114.07 1ny0 n GLY 267 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1ny0 n GLY 267 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ny0 s SER 268 N -1.91 5.84 0.00 1.61 0.15 -1.22 -4.84 113.70 113.34 1ny0 s SER 268 Ca 0.00 2.08 0.19 0.00 0.70 0.00 0.00 55.95 58.92 1ny0 s SER 268 Cb 0.00 -2.57 0.40 0.00 -1.71 0.00 0.00 66.02 62.14 1ny0 s SER 268 CO 0.00 -1.13 1.33 0.00 1.20 0.00 0.00 173.24 174.64 1ny0 n GLN 269 N -1.33 2.40 -1.59 5.44 6.02 -1.26 -3.42 117.38 123.64 1ny0 n GLN 269 Ca 0.11 -2.18 -0.32 0.00 -0.01 0.00 0.00 57.00 54.60 1ny0 n GLN 269 Cb 0.51 -1.44 0.06 0.00 1.02 0.00 0.00 30.24 30.40 1ny0 n GLN 269 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ny0 s ALA 270 N -1.22 2.48 0.86 -1.58 0.00 -1.26 -5.02 121.76 116.01 1ny0 s ALA 270 Ca 0.34 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1ny0 s ALA 270 Cb 0.19 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 20.16 1ny0 s ALA 270 CO 0.26 -1.37 1.09 0.95 0.00 0.00 0.00 175.76 176.70 1ny0 s THR 271 N -2.69 2.84 0.22 0.00 -4.23 -1.26 -4.79 115.64 105.72 1ny0 s THR 271 Ca 0.63 0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1ny0 s THR 271 Cb -0.17 -2.75 0.17 0.00 1.34 0.00 0.00 72.50 71.08 1ny0 s THR 271 CO 0.49 -0.36 1.86 -0.03 -0.54 0.00 0.00 174.62 176.04 1ny0 h MET 272 N -1.43 0.93 -0.80 3.99 4.05 -1.99 -1.07 114.93 118.61 1ny0 h MET 272 Ca -0.48 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 58.86 1ny0 h MET 272 Cb 1.27 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 1ny0 h MET 272 CO 0.54 0.61 0.40 -0.44 0.23 0.00 0.00 176.91 178.25 1ny0 h ASP 273 N 0.95 1.01 -0.47 1.39 3.32 -1.99 0.11 116.42 120.75 1ny0 h ASP 273 Ca 0.31 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1ny0 h ASP 273 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1ny0 h ASP 273 CO -0.11 0.84 0.07 -0.33 -1.72 0.00 0.00 179.24 177.98 1ny0 h GLU 274 N 1.12 0.78 -0.44 3.56 5.08 -1.74 -0.16 114.58 122.79 1ny0 h GLU 274 Ca 0.28 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ny0 h GLU 274 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ny0 h GLU 274 CO -0.04 0.80 -0.04 0.00 -1.00 0.00 0.00 179.01 178.73 1ny0 h ARG 275 N 0.64 0.80 -0.42 2.33 3.08 -0.82 -2.13 114.38 117.86 1ny0 h ARG 275 Ca 0.14 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1ny0 h ARG 275 Cb 0.40 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1ny0 h ARG 275 CO 0.01 0.89 0.26 -0.91 -1.07 0.00 0.00 179.97 179.15 1ny0 h ASN 276 N 0.63 0.44 -0.72 7.04 2.35 -0.66 -2.30 115.58 122.37 1ny0 h ASN 276 Ca 0.12 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1ny0 h ASN 276 Cb 0.55 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 1ny0 h ASN 276 CO 0.03 0.32 0.47 -0.09 -1.65 0.00 0.00 177.43 176.51 1ny0 h ARG 277 N 0.53 0.93 -0.45 0.81 2.43 -0.85 0.47 114.38 118.26 1ny0 h ARG 277 Ca 0.16 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1ny0 h ARG 277 Cb -0.03 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1ny0 h ARG 277 CO -0.05 0.61 0.16 1.96 -1.51 0.00 0.00 179.97 181.14 1ny0 h GLN 278 N 0.95 0.68 -0.63 0.20 1.08 -1.17 0.13 115.11 116.34 1ny0 h GLN 278 Ca 0.27 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1ny0 h GLN 278 Cb -0.08 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1ny0 h GLN 278 CO -0.07 0.64 0.09 0.82 -0.95 0.00 0.00 178.83 179.36 1ny0 h ILE 279 N 0.58 1.26 -0.32 2.54 2.04 -1.15 -1.12 117.51 121.35 1ny0 h ILE 279 Ca 0.15 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 1ny0 h ILE 279 Cb 0.23 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1ny0 h ILE 279 CO -0.01 0.38 -0.20 0.00 0.00 0.00 0.00 178.15 178.33 1ny0 h ALA 280 N 1.11 1.07 -0.19 1.87 0.00 -0.62 -1.78 119.26 120.72 1ny0 h ALA 280 Ca 0.19 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1ny0 h ALA 280 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ny0 h ALA 280 CO 0.01 0.57 -0.34 0.93 0.00 0.00 0.00 179.25 180.42 1ny0 h GLU 281 N 0.53 0.39 -0.65 0.00 4.39 -0.23 0.15 114.58 119.17 1ny0 h GLU 281 Ca 0.08 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 1ny0 h GLU 281 Cb 0.63 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1ny0 h GLU 281 CO 0.04 0.69 0.16 0.82 -1.16 0.00 0.00 179.01 179.56 1ny0 h ILE 282 N 0.34 1.25 -0.81 3.13 2.04 -0.86 -1.75 117.51 120.85 1ny0 h ILE 282 Ca 0.04 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 1ny0 h ILE 282 Cb 0.76 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1ny0 h ILE 282 CO 0.06 0.35 0.33 1.23 0.00 0.00 0.00 178.15 180.12 1ny0 h GLY 283 N 1.05 1.29 1.22 5.37 0.00 -0.38 -1.06 103.07 110.56 1ny0 h GLY 283 Ca 0.21 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1ny0 h GLY 283 CO 0.00 0.65 0.06 0.00 0.00 0.00 0.00 176.54 177.26 1ny0 h ALA 284 N 1.19 1.02 -0.36 3.60 0.00 -0.59 -0.79 119.26 123.32 1ny0 h ALA 284 Ca 0.27 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ny0 h ALA 284 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ny0 h ALA 284 CO -0.02 0.62 -0.23 1.03 0.00 0.00 0.00 179.25 180.65 1ny0 h SER 285 N 0.89 0.83 -0.73 0.00 0.87 -1.03 0.90 113.55 115.29 1ny0 h SER 285 Ca 0.18 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1ny0 h SER 285 Cb 0.44 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1ny0 h SER 285 CO 0.01 1.08 0.46 0.25 -0.53 0.00 0.00 176.83 178.10 1ny0 h LEU 286 N 0.59 0.76 -0.17 2.23 5.85 -0.92 -1.58 115.31 122.08 1ny0 h LEU 286 Ca 0.07 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1ny0 h LEU 286 Cb 0.79 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ny0 h LEU 286 CO 0.06 0.52 -0.21 0.40 -0.34 0.00 0.00 178.44 178.88 1ny0 h ILE 287 N 0.90 1.35 -0.81 4.05 5.03 -0.97 -2.55 117.51 124.50 1ny0 h ILE 287 Ca 0.29 -1.41 0.07 0.00 -0.12 0.00 0.00 64.86 63.69 1ny0 h ILE 287 Cb 0.01 1.88 -0.06 0.00 -3.03 0.00 0.00 36.82 35.62 1ny0 h ILE 287 CO -0.11 0.42 0.49 0.50 -0.68 0.00 0.00 178.15 178.77 1ny0 h LYS 288 N 0.07 0.86 -0.61 2.37 3.64 -0.50 -2.71 116.57 119.69 1ny0 h LYS 288 Ca 0.02 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1ny0 h LYS 288 Cb 0.77 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1ny0 h LYS 288 CO 0.05 0.57 0.13 0.72 -2.27 0.00 0.00 179.45 178.65 1ny0 n HIS 289 N -4.67 2.08 0.00 1.91 8.25 -0.62 -5.09 115.22 117.07 1ny0 n HIS 289 Ca 0.12 -1.02 0.00 0.00 -0.26 0.00 0.00 57.72 56.55 1ny0 n HIS 289 Cb 0.19 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.73 1ny0 n HIS 289 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85