#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n9i s PRO 16 N 0.00 3.39 -0.20 1.64 0.02 -1.26 -4.48 135.00 134.10 3n9i s PRO 16 Ca 0.00 2.30 -0.20 0.00 0.02 0.00 0.00 61.00 63.13 3n9i s PRO 16 Cb 0.00 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 32.06 3n9i s PRO 16 CO 0.00 -1.02 0.58 0.42 -0.33 0.00 0.00 177.00 176.66 3n9i s ILE 17 N -1.26 5.05 -0.14 2.83 1.01 -1.26 -0.96 121.20 126.46 3n9i s ILE 17 Ca 0.67 1.09 0.00 0.00 0.00 0.00 0.00 60.65 62.41 3n9i s ILE 17 Cb -0.42 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 3n9i s ILE 17 CO 0.51 0.13 -0.15 -0.69 0.00 0.00 0.00 174.94 174.74 3n9i s VAL 18 N 1.87 2.80 -0.11 2.92 1.01 -0.41 -0.68 120.40 127.79 3n9i s VAL 18 Ca 0.27 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3n9i s VAL 18 Cb -0.16 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3n9i s VAL 18 CO 0.10 0.52 -0.18 0.12 0.00 0.00 0.00 175.10 175.66 3n9i s PHE 19 N 0.60 2.69 -0.05 5.22 2.19 -0.88 -0.14 117.98 127.62 3n9i s PHE 19 Ca -0.08 -0.82 0.01 0.00 0.33 0.00 0.00 56.93 56.36 3n9i s PHE 19 Cb -0.16 -1.78 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 3n9i s PHE 19 CO 0.03 -0.30 -0.05 0.45 1.83 0.00 0.00 175.22 177.18 3n9i s SER 20 N 0.33 1.08 -0.16 6.13 0.15 -0.12 -4.05 113.70 117.04 3n9i s SER 20 Ca -0.14 -0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 3n9i s SER 20 Cb -0.17 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 3n9i s SER 20 CO 0.07 -0.06 0.30 -0.83 1.20 0.00 0.00 173.24 173.92 3n9i s GLY 21 N 1.01 2.21 -0.22 9.45 0.00 -1.26 -1.06 107.32 117.44 3n9i s GLY 21 Ca -0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 3n9i s GLY 21 CO -0.00 0.46 -0.07 0.00 0.00 0.00 0.00 173.10 173.48 3n9i s ALA 22 N 0.52 2.71 0.33 3.20 0.00 0.11 -4.94 121.76 123.70 3n9i s ALA 22 Ca 0.17 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 3n9i s ALA 22 Cb -0.13 -1.62 -0.11 0.00 0.00 0.00 0.00 23.12 21.26 3n9i s ALA 22 CO 0.04 -0.51 1.49 -0.65 0.00 0.00 0.00 175.76 176.13 3n9i s GLN 23 N 1.41 4.16 -0.74 0.00 -1.52 -1.26 -0.82 119.66 120.89 3n9i s GLN 23 Ca 0.04 2.50 -0.26 0.00 -1.95 0.00 0.00 55.36 55.70 3n9i s GLN 23 Cb -0.15 -3.01 -0.06 0.00 -0.22 0.00 0.00 33.01 29.57 3n9i s GLN 23 CO -0.05 -0.51 2.09 -1.25 -0.25 0.00 0.00 175.29 175.32 3n9i s PRO 24 N -1.43 2.30 0.00 2.91 0.04 -1.26 -4.63 135.00 132.93 3n9i s PRO 24 Ca 0.56 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3n9i s PRO 24 Cb -0.46 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.33 3n9i s PRO 24 CO 0.56 -3.43 0.00 0.45 0.04 0.00 0.00 177.00 174.62 3n9i n SER 25 N 14.96 1.56 0.00 6.66 2.88 -1.26 -4.66 113.62 133.76 3n9i n SER 25 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 3n9i n SER 25 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3n9i n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n9i n GLY 26 N 2.84 1.80 3.26 0.46 0.00 -1.26 -4.87 105.19 107.42 3n9i n GLY 26 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3n9i n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n9i s GLU 27 N 0.00 2.89 0.10 1.61 0.41 -1.26 -4.79 118.70 117.66 3n9i s GLU 27 Ca 0.00 -1.93 0.10 0.00 -0.41 0.00 0.00 54.97 52.73 3n9i s GLU 27 Cb 0.00 -4.15 -0.04 0.00 -1.78 0.00 0.00 34.13 28.17 3n9i s GLU 27 CO 0.00 -1.26 -0.24 -0.51 -0.49 0.00 0.00 175.26 172.76 3n9i s LEU 28 N 1.12 2.40 0.36 1.80 1.43 -1.26 -5.04 118.68 119.49 3n9i s LEU 28 Ca 0.08 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3n9i s LEU 28 Cb -0.24 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3n9i s LEU 28 CO -0.01 0.20 0.57 0.42 0.23 0.00 0.00 176.35 177.76 3n9i s THR 29 N -1.02 4.93 0.57 5.49 -4.23 -1.26 -1.32 115.64 118.79 3n9i s THR 29 Ca 0.14 -0.47 0.26 0.00 -1.18 0.00 0.00 61.69 60.44 3n9i s THR 29 Cb -0.10 -3.80 0.34 0.00 1.34 0.00 0.00 72.50 70.28 3n9i s THR 29 CO 0.06 -0.53 2.18 -0.29 -0.54 0.00 0.00 174.62 175.50 3n9i h ILE 30 N 0.70 0.65 -0.38 2.99 2.10 -1.21 -1.59 117.51 120.77 3n9i h ILE 30 Ca -0.49 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 3n9i h ILE 30 Cb 1.22 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 3n9i h ILE 30 CO 0.61 0.00 0.01 1.23 -1.08 0.00 0.00 178.15 178.92 3n9i h GLY 31 N 0.00 0.71 0.75 8.18 0.00 -1.90 0.03 103.07 110.84 3n9i h GLY 31 Ca 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.89 3n9i h GLY 31 CO -0.00 0.47 0.13 3.43 0.00 0.00 0.00 176.54 180.57 3n9i h ASN 32 N 0.48 0.16 0.52 0.19 2.35 -1.69 -2.03 115.58 115.56 3n9i h ASN 32 Ca 0.11 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3n9i h ASN 32 Cb 0.44 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.83 3n9i h ASN 32 CO 0.02 0.13 -0.25 0.22 -1.65 0.00 0.00 177.43 175.89 3n9i h TYR 33 N 0.28 -0.65 0.00 1.19 3.20 -1.20 -0.68 116.97 119.12 3n9i h TYR 33 Ca 0.15 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 3n9i h TYR 33 Cb 0.11 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3n9i h TYR 33 CO -0.13 -0.33 -0.25 0.52 -1.64 0.00 0.00 178.16 176.33 3n9i h MET 34 N -0.91 0.00 0.00 1.82 2.86 -1.07 0.22 114.93 117.85 3n9i h MET 34 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3n9i h MET 34 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3n9i h MET 34 CO 0.12 0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.75 3n9i n GLY 35 N -0.11 1.23 0.00 8.32 0.00 -0.76 -4.69 105.19 109.18 3n9i n GLY 35 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3n9i n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9i n ALA 36 N -3.00 -0.16 -0.29 4.61 0.00 -0.74 -3.41 120.51 117.52 3n9i n ALA 36 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3n9i n ALA 36 Cb 0.00 0.23 0.11 0.00 0.00 0.00 0.00 19.45 19.79 3n9i n ALA 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3n9i h LEU 37 N 0.00 0.83 -0.61 0.00 5.85 -1.20 -2.25 115.31 117.92 3n9i h LEU 37 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 3n9i h LEU 37 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3n9i h LEU 37 CO 0.00 0.56 -0.55 -0.09 -0.34 0.00 0.00 178.44 178.02 3n9i h ARG 38 N 0.97 0.42 -0.31 1.25 2.43 -0.66 0.44 114.38 118.92 3n9i h ARG 38 Ca 0.34 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3n9i h ARG 38 Cb 0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3n9i h ARG 38 CO -0.14 0.86 0.08 1.96 -1.51 0.00 0.00 179.97 181.22 3n9i h GLN 39 N 0.32 0.48 -0.64 0.20 4.20 -1.46 -2.40 115.11 115.81 3n9i h GLN 39 Ca 0.01 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3n9i h GLN 39 Cb 1.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 3n9i h GLN 39 CO 0.09 0.55 0.37 -1.49 -0.67 0.00 0.00 178.83 177.68 3n9i h TRP 40 N 0.33 0.85 0.39 2.96 6.55 -1.08 -2.18 115.95 123.76 3n9i h TRP 40 Ca 0.10 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 3n9i h TRP 40 Cb 0.27 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 3n9i h TRP 40 CO 0.01 0.58 -0.26 0.28 -1.05 0.00 0.00 178.44 177.99 3n9i h VAL 41 N 0.89 0.45 0.00 1.49 2.07 -0.61 -2.92 116.25 117.62 3n9i h VAL 41 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 3n9i h VAL 41 Cb -0.01 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3n9i h VAL 41 CO -0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.55 3n9i n GLN 42 N -5.39 0.15 -0.23 1.57 6.02 -0.86 -2.38 117.38 116.25 3n9i n GLN 42 Ca -0.10 0.19 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 3n9i n GLN 42 Cb 0.30 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.27 3n9i n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n9i n MET 43 N -1.34 2.52 0.19 -1.09 0.00 -0.94 -4.51 117.12 111.95 3n9i n MET 43 Ca 0.06 -2.24 0.13 0.00 0.00 0.00 0.00 57.70 55.64 3n9i n MET 43 Cb 0.12 -1.43 0.68 0.00 0.00 0.00 0.00 33.22 32.59 3n9i n MET 43 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3n9i h GLN 44 N 3.47 0.00 0.00 3.17 4.20 -1.46 -2.30 115.11 122.18 3n9i h GLN 44 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3n9i h GLN 44 Cb 0.86 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 3n9i h GLN 44 CO 0.00 0.00 -1.76 -0.25 -0.67 0.00 0.00 178.83 176.15 3n9i n ASP 45 N -2.39 0.64 0.08 1.46 8.00 -1.26 -4.29 116.55 118.79 3n9i n ASP 45 Ca -0.02 0.30 0.12 0.00 0.71 0.00 0.00 54.79 55.90 3n9i n ASP 45 Cb 0.07 0.34 0.16 0.00 -0.02 0.00 0.00 41.12 41.67 3n9i n ASP 45 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3n9i h ASP 46 N 0.00 0.00 -4.69 -2.24 3.32 -1.75 -3.48 116.42 107.59 3n9i h ASP 46 Ca -0.28 -0.14 -0.24 0.00 0.02 0.00 0.00 57.03 56.39 3n9i h ASP 46 Cb 1.86 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 41.24 3n9i h ASP 46 CO 0.05 0.07 -0.71 -0.31 -1.72 0.00 0.00 179.24 176.62 3n9i s TYR 47 N -3.20 0.79 -0.75 4.55 2.02 -0.98 -4.48 117.35 115.29 3n9i s TYR 47 Ca 0.05 -0.75 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 3n9i s TYR 47 Cb 0.12 -0.46 0.16 0.00 -0.40 0.00 0.00 41.96 41.37 3n9i s TYR 47 CO 0.72 -0.13 0.81 0.34 -1.57 0.00 0.00 175.55 175.71 3n9i s ASP 48 N -2.45 6.51 -0.08 2.29 2.15 -0.13 -4.68 116.67 120.27 3n9i s ASP 48 Ca 0.03 -2.09 -0.11 0.00 0.43 0.00 0.00 52.55 50.80 3n9i s ASP 48 Cb -0.01 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 3n9i s ASP 48 CO -0.03 -0.87 0.27 0.00 -0.17 0.00 0.00 175.17 174.37 3n9i s ILE 50 N -0.73 1.38 -0.19 0.00 1.01 0.80 -1.59 121.20 121.88 3n9i s ILE 50 Ca 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 3n9i s ILE 50 Cb -0.14 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3n9i s ILE 50 CO 0.07 0.42 -0.13 -0.31 0.00 0.00 0.00 174.94 175.00 3n9i s TYR 51 N 1.43 2.85 -0.21 3.97 2.02 0.22 -0.95 117.35 126.68 3n9i s TYR 51 Ca 0.02 -1.25 0.01 0.00 -0.37 0.00 0.00 57.07 55.48 3n9i s TYR 51 Cb -0.13 -1.99 0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3n9i s TYR 51 CO -0.08 -0.64 -0.15 0.00 -1.57 0.00 0.00 175.55 173.11 3n9i s ILE 53 N 1.27 4.14 -1.31 0.00 1.01 0.35 0.09 121.20 126.76 3n9i s ILE 53 Ca 0.02 1.13 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 3n9i s ILE 53 Cb -0.15 -4.63 0.14 0.00 0.01 0.00 0.00 42.46 37.83 3n9i s ILE 53 CO -0.10 -1.10 2.11 1.33 0.00 0.00 0.00 174.94 177.19 3n9i n VAL 54 N 6.82 4.68 0.12 2.92 0.24 -0.00 -1.28 118.33 131.84 3n9i n VAL 54 Ca 0.11 -4.30 0.05 0.00 -2.04 0.00 0.00 64.34 58.16 3n9i n VAL 54 Cb 0.49 -2.26 0.49 0.00 -1.47 0.00 0.00 33.84 31.09 3n9i n VAL 54 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3n9i h ASP 55 N 5.28 0.24 -0.24 -1.34 2.03 -1.92 -2.24 116.42 118.23 3n9i h ASP 55 Ca 0.53 -0.02 -0.05 0.00 -0.73 0.00 0.00 57.03 56.76 3n9i h ASP 55 Cb 0.49 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.91 3n9i h ASP 55 CO 1.58 0.23 0.01 -0.07 -1.03 0.00 0.00 179.24 179.96 3n9i h LEU 56 N 0.28 0.50 -0.74 0.15 3.38 -1.94 -2.15 115.31 114.79 3n9i h LEU 56 Ca 0.07 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3n9i h LEU 56 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3n9i h LEU 56 CO -0.01 0.57 -0.43 0.45 0.09 0.00 0.00 178.44 179.11 3n9i h HIS 57 N 0.52 0.53 -0.73 1.13 3.86 -1.83 -3.31 115.15 115.32 3n9i h HIS 57 Ca 0.11 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3n9i h HIS 57 Cb 0.32 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 3n9i h HIS 57 CO 0.01 0.80 0.48 0.00 0.86 0.00 0.00 177.93 180.08 3n9i h ALA 58 N 1.17 1.59 0.00 2.45 0.00 -0.84 -2.52 119.26 121.11 3n9i h ALA 58 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n9i h ALA 58 Cb 0.91 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3n9i h ALA 58 CO 0.08 0.33 0.00 0.44 0.00 0.00 0.00 179.25 180.10 3n9i n ILE 59 N -4.46 0.00 0.38 0.00 -5.35 -1.20 -2.24 119.36 106.50 3n9i n ILE 59 Ca 0.09 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.71 3n9i n ILE 59 Cb 0.13 -0.22 0.53 0.00 -1.74 0.00 0.00 39.64 38.34 3n9i n ILE 59 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3n9i h THR 60 N 0.00 0.00 -3.78 7.28 1.35 -1.64 -3.42 112.91 112.71 3n9i h THR 60 Ca 0.00 -0.33 -0.68 0.00 -0.55 0.00 0.00 66.41 64.86 3n9i h THR 60 Cb 0.00 1.14 -0.19 0.00 -1.73 0.00 0.00 68.15 67.37 3n9i h THR 60 CO 0.00 0.00 -0.80 0.00 -0.25 0.00 0.00 175.52 174.47 3n9i s ALA 61 N -3.39 2.66 0.26 6.62 0.00 -0.95 -4.59 121.76 122.37 3n9i s ALA 61 Ca 0.04 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 3n9i s ALA 61 Cb 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 23.12 22.45 3n9i s ALA 61 CO 0.45 0.59 1.43 0.50 0.00 0.00 0.00 175.76 178.73 3n9i s ARG 62 N -2.00 4.27 -0.04 0.00 6.06 -1.26 -4.99 118.95 120.99 3n9i s ARG 62 Ca 0.17 2.30 0.06 0.00 -2.50 0.00 0.00 55.73 55.76 3n9i s ARG 62 Cb -0.11 -3.10 -0.01 0.00 0.06 0.00 0.00 34.95 31.79 3n9i s ARG 62 CO 0.09 -0.41 -0.21 -0.65 -2.50 0.00 0.00 175.30 171.62 3n9i s GLN 63 N -0.50 2.04 0.01 5.12 -1.52 -1.26 -5.06 119.66 118.48 3n9i s GLN 63 Ca 0.58 -0.77 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 3n9i s GLN 63 Cb -0.42 -1.81 -0.07 0.00 -0.22 0.00 0.00 33.01 30.49 3n9i s GLN 63 CO 0.44 0.37 1.63 0.34 -0.25 0.00 0.00 175.29 177.82 3n9i s ASP 64 N -0.22 6.66 0.19 5.90 -1.08 -1.26 -4.93 116.67 121.93 3n9i s ASP 64 Ca 0.00 2.35 -0.12 0.00 -0.52 0.00 0.00 52.55 54.26 3n9i s ASP 64 Cb -0.11 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 38.98 3n9i s ASP 64 CO 0.02 -0.88 1.79 -0.65 0.52 0.00 0.00 175.17 175.96 3n9i h PRO 65 N 8.76 0.53 -0.52 4.34 0.11 -1.99 -0.80 132.00 142.43 3n9i h PRO 65 Ca -0.41 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3n9i h PRO 65 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3n9i h PRO 65 CO 0.93 0.35 0.05 0.00 -0.21 0.00 0.00 178.00 179.13 3n9i h ALA 66 N 1.31 1.10 -0.18 -0.75 0.00 -2.00 -1.42 119.26 117.32 3n9i h ALA 66 Ca 0.25 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3n9i h ALA 66 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3n9i h ALA 66 CO -0.18 0.58 -0.58 -0.07 0.00 0.00 0.00 179.25 179.00 3n9i h LEU 67 N 0.80 0.63 -0.31 0.00 3.38 -1.81 -1.60 115.31 116.40 3n9i h LEU 67 Ca 0.16 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3n9i h LEU 67 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3n9i h LEU 67 CO 0.01 1.07 0.14 0.25 0.09 0.00 0.00 178.44 180.01 3n9i h LEU 68 N 0.42 0.41 -0.10 1.67 5.85 -0.67 0.23 115.31 123.12 3n9i h LEU 68 Ca 0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3n9i h LEU 68 Cb 1.13 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3n9i h LEU 68 CO 0.11 0.43 0.06 -0.09 -0.34 0.00 0.00 178.44 178.61 3n9i h ARG 69 N 0.36 0.14 -0.37 1.25 2.43 -1.18 -1.24 114.38 115.77 3n9i h ARG 69 Ca 0.11 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3n9i h ARG 69 Cb 0.13 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3n9i h ARG 69 CO -0.01 0.14 0.14 -0.22 -1.51 0.00 0.00 179.97 178.52 3n9i h LYS 70 N 0.10 0.30 0.00 0.20 3.64 -1.17 -2.59 116.57 117.05 3n9i h LYS 70 Ca 0.04 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 3n9i h LYS 70 Cb 0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3n9i h LYS 70 CO -0.01 0.20 -0.41 0.00 -2.27 0.00 0.00 179.45 176.96 3n9i h ARG 71 N 0.31 0.00 -0.02 1.90 3.08 -0.35 -0.40 114.38 118.89 3n9i h ARG 71 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3n9i h ARG 71 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3n9i h ARG 71 CO -0.15 0.41 0.01 1.15 -1.07 0.00 0.00 179.97 180.32 3n9i h THR 72 N 0.00 1.08 -0.70 2.04 2.02 -0.90 -1.17 112.91 115.28 3n9i h THR 72 Ca -0.00 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3n9i h THR 72 Cb 0.81 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3n9i h THR 72 CO 0.05 0.06 0.29 -0.07 0.37 0.00 0.00 175.52 176.22 3n9i h LEU 73 N -0.06 0.96 -0.41 2.58 3.38 -1.14 -2.25 115.31 118.37 3n9i h LEU 73 Ca 0.01 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3n9i h LEU 73 Cb 0.09 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3n9i h LEU 73 CO -0.00 0.87 0.06 0.44 0.09 0.00 0.00 178.44 179.90 3n9i h ASP 74 N 1.00 -0.04 -0.06 -0.43 3.32 -0.93 -0.88 116.42 118.39 3n9i h ASP 74 Ca 0.23 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.37 3n9i h ASP 74 Cb 0.20 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3n9i h ASP 74 CO -0.02 0.01 -0.02 0.74 -1.72 0.00 0.00 179.24 178.24 3n9i h THR 75 N 0.18 0.94 -0.20 0.35 2.02 -0.95 0.06 112.91 115.30 3n9i h THR 75 Ca 0.20 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.41 3n9i h THR 75 Cb 0.26 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3n9i h THR 75 CO -0.29 0.00 0.03 0.25 0.37 0.00 0.00 175.52 175.89 3n9i h LEU 76 N -0.00 -0.00 -1.02 2.58 5.85 -1.18 -0.55 115.31 120.98 3n9i h LEU 76 Ca 0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3n9i h LEU 76 Cb 0.04 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3n9i h LEU 76 CO -0.06 0.03 0.03 0.00 -0.34 0.00 0.00 178.44 178.10 3n9i h ALA 77 N 1.15 1.20 -0.43 1.25 0.00 -1.04 -0.99 119.26 120.39 3n9i h ALA 77 Ca 0.09 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3n9i h ALA 77 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3n9i h ALA 77 CO -0.13 0.53 -0.14 1.25 0.00 0.00 0.00 179.25 180.77 3n9i h LEU 78 N 0.69 0.87 -0.66 0.00 5.85 -0.65 -0.08 115.31 121.33 3n9i h LEU 78 Ca 0.14 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 3n9i h LEU 78 Cb 0.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3n9i h LEU 78 CO 0.01 1.05 0.09 1.88 -0.34 0.00 0.00 178.44 181.13 3n9i h TYR 79 N 0.69 1.19 -0.08 1.25 -1.99 -0.71 -0.56 116.97 116.75 3n9i h TYR 79 Ca 0.11 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 3n9i h TYR 79 Cb 0.68 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 3n9i h TYR 79 CO 0.05 1.00 0.04 -0.07 -0.00 0.00 0.00 178.16 179.19 3n9i h LEU 80 N 1.03 0.10 -1.09 3.88 3.38 -1.08 -1.53 115.31 120.01 3n9i h LEU 80 Ca 0.20 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.22 3n9i h LEU 80 Cb 0.47 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 3n9i h LEU 80 CO 0.02 0.16 0.61 0.00 0.09 0.00 0.00 178.44 179.32 3n9i h ALA 81 N 0.95 1.65 0.00 1.53 0.00 -0.83 -1.30 119.26 121.25 3n9i h ALA 81 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3n9i h ALA 81 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3n9i h ALA 81 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3n9i n GLY 83 N 0.71 1.08 3.68 0.00 0.00 -0.49 -4.95 105.19 105.22 3n9i n GLY 83 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3n9i n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n9i s ILE 84 N -2.00 3.81 -0.27 -0.61 -1.09 -0.60 -4.95 121.20 115.50 3n9i s ILE 84 Ca 0.00 1.15 -0.07 0.00 -2.23 0.00 0.00 60.65 59.50 3n9i s ILE 84 Cb 0.00 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 3n9i s ILE 84 CO 0.00 -0.02 0.07 -0.62 -1.23 0.00 0.00 174.94 173.14 3n9i s ASP 85 N 2.00 5.08 0.00 3.58 -1.08 -1.26 -4.40 116.67 120.59 3n9i s ASP 85 Ca 0.63 -0.43 0.19 0.00 -0.52 0.00 0.00 52.55 52.41 3n9i s ASP 85 Cb -0.30 -1.90 0.86 0.00 -1.46 0.00 0.00 42.92 40.12 3n9i s ASP 85 CO 0.25 -0.10 1.59 -0.81 0.52 0.00 0.00 175.17 176.62 3n9i n PRO 86 N 4.90 0.10 0.01 4.34 -0.04 -1.26 -0.29 135.00 142.75 3n9i n PRO 86 Ca -0.16 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 3n9i n PRO 86 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 3n9i n PRO 86 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3n9i h LYS 87 N 0.00 0.00 0.07 0.54 1.79 -2.02 -3.38 116.57 113.56 3n9i h LYS 87 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 3n9i h LYS 87 Cb 0.27 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3n9i h LYS 87 CO 0.00 0.54 -1.76 0.87 -1.08 0.00 0.00 179.45 178.02 3n9i h LYS 88 N 0.00 0.14 -5.86 3.15 1.57 -1.72 -3.48 116.57 110.37 3n9i h LYS 88 Ca -0.20 -0.24 -0.61 0.00 -1.87 0.00 0.00 60.65 57.73 3n9i h LYS 88 Cb 1.86 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 34.14 3n9i h LYS 88 CO 0.08 0.88 -0.61 -1.12 -0.57 0.00 0.00 179.45 178.11 3n9i s SER 89 N -6.61 4.00 -0.35 0.86 0.01 0.60 -4.67 113.70 107.54 3n9i s SER 89 Ca -0.11 -1.18 -0.09 0.00 1.31 0.00 0.00 55.95 55.88 3n9i s SER 89 Cb 0.07 -0.43 0.03 0.00 0.21 0.00 0.00 66.02 65.90 3n9i s SER 89 CO 0.81 -0.34 0.15 -0.89 0.41 0.00 0.00 173.24 173.37 3n9i s THR 90 N -2.62 4.18 -0.08 1.44 2.01 -0.62 -4.40 115.64 115.55 3n9i s THR 90 Ca 0.35 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3n9i s THR 90 Cb 0.04 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3n9i s THR 90 CO 0.19 -0.17 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.20 3n9i s ILE 91 N 1.49 2.18 0.21 1.82 2.07 -1.26 -0.61 121.20 127.09 3n9i s ILE 91 Ca 0.01 -1.00 -0.21 0.00 -1.41 0.00 0.00 60.65 58.04 3n9i s ILE 91 Cb -0.19 -1.82 0.04 0.00 0.13 0.00 0.00 42.46 40.62 3n9i s ILE 91 CO 0.05 0.56 0.63 0.72 -1.91 0.00 0.00 174.94 174.99 3n9i s PHE 92 N 0.11 -0.31 -0.23 3.50 -0.71 -0.78 -4.18 117.98 115.38 3n9i s PHE 92 Ca -0.11 -0.02 -0.16 0.00 -1.04 0.00 0.00 56.93 55.60 3n9i s PHE 92 Cb -0.16 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 3n9i s PHE 92 CO 0.06 -1.01 0.39 0.08 -1.34 0.00 0.00 175.22 173.40 3n9i s VAL 93 N -3.84 5.19 0.22 -2.49 1.01 -1.26 -0.49 120.40 118.73 3n9i s VAL 93 Ca 0.07 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 3n9i s VAL 93 Cb -0.03 -3.72 0.25 0.00 0.00 0.00 0.00 36.38 32.88 3n9i s VAL 93 CO -0.03 0.21 1.58 -0.61 0.00 0.00 0.00 175.10 176.25 3n9i h GLN 94 N 7.65 -0.05 0.00 2.72 4.15 -1.53 -0.11 115.11 127.94 3n9i h GLN 94 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3n9i h GLN 94 Cb 1.16 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3n9i h GLN 94 CO 0.70 -0.03 0.00 -1.13 -1.93 0.00 0.00 178.83 176.43 3n9i n SER 95 N -5.49 0.44 -0.10 -0.69 3.41 -1.26 -1.57 113.62 108.36 3n9i n SER 95 Ca 0.09 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.53 3n9i n SER 95 Cb 0.40 -0.75 0.70 0.00 -0.26 0.00 0.00 64.21 64.30 3n9i n SER 95 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3n9i n HIS 96 N -2.07 0.00 -3.86 7.33 8.25 -0.05 -4.53 115.22 120.29 3n9i n HIS 96 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 3n9i n HIS 96 Cb 0.06 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 3n9i n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3n9i s VAL 97 N -2.34 1.71 0.51 1.59 1.01 -0.61 -4.95 120.40 117.32 3n9i s VAL 97 Ca 0.34 -2.22 0.23 0.00 0.00 0.00 0.00 61.98 60.33 3n9i s VAL 97 Cb 0.21 -2.25 0.39 0.00 0.00 0.00 0.00 36.38 34.72 3n9i s VAL 97 CO 0.44 -0.71 1.98 -0.65 0.00 0.00 0.00 175.10 176.16 3n9i h PRO 98 N 7.44 0.08 -0.59 2.72 0.11 -1.82 -2.54 132.00 137.41 3n9i h PRO 98 Ca -0.07 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.20 3n9i h PRO 98 Cb 0.98 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3n9i h PRO 98 CO 0.52 0.05 0.44 0.93 -0.21 0.00 0.00 178.00 179.74 3n9i h GLU 99 N 0.08 0.00 -0.02 1.05 3.07 -1.94 -1.60 114.58 115.23 3n9i h GLU 99 Ca 0.27 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3n9i h GLU 99 Cb 0.96 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3n9i h GLU 99 CO -0.02 0.00 0.01 0.45 -1.40 0.00 0.00 179.01 178.05 3n9i h HIS 100 N 0.00 0.02 -0.30 4.33 3.86 -1.78 -0.12 115.15 121.15 3n9i h HIS 100 Ca 0.28 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.36 3n9i h HIS 100 Cb 1.16 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 3n9i h HIS 100 CO 0.00 0.07 -0.35 0.77 0.86 0.00 0.00 177.93 179.28 3n9i h SER 101 N -0.03 0.71 0.07 2.45 0.02 -1.52 -0.26 113.55 114.99 3n9i h SER 101 Ca 0.01 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3n9i h SER 101 Cb 0.06 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3n9i h SER 101 CO -0.00 1.00 -0.04 1.56 -1.14 0.00 0.00 176.83 178.21 3n9i h GLN 102 N 0.57 -0.09 -0.42 3.45 4.20 -1.24 -2.33 115.11 119.25 3n9i h GLN 102 Ca 0.06 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 3n9i h GLN 102 Cb 0.87 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3n9i h GLN 102 CO 0.08 0.15 0.08 1.25 -0.67 0.00 0.00 178.83 179.71 3n9i h LEU 103 N -0.33 0.58 -0.58 1.46 5.85 -0.96 -2.88 115.31 118.45 3n9i h LEU 103 Ca -0.01 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3n9i h LEU 103 Cb 0.29 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3n9i h LEU 103 CO 0.02 0.60 0.38 -1.28 -0.34 0.00 0.00 178.44 177.81 3n9i h SER 104 N 0.61 0.65 -0.21 1.25 0.87 -0.85 -0.18 113.55 115.69 3n9i h SER 104 Ca 0.14 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3n9i h SER 104 Cb 0.27 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3n9i h SER 104 CO 0.00 0.47 0.12 -0.25 -0.53 0.00 0.00 176.83 176.64 3n9i h TRP 105 N 0.77 0.22 -0.31 2.24 2.91 -1.25 -0.89 115.95 119.64 3n9i h TRP 105 Ca 0.22 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.26 3n9i h TRP 105 Cb -0.07 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 3n9i h TRP 105 CO -0.04 0.14 0.17 0.00 -1.03 0.00 0.00 178.44 177.68 3n9i h ALA 106 N 1.09 0.39 0.00 2.65 0.00 -1.25 -1.91 119.26 120.23 3n9i h ALA 106 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3n9i h ALA 106 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3n9i h ALA 106 CO -0.04 -0.20 -0.18 -0.07 0.00 0.00 0.00 179.25 178.77 3n9i h LEU 107 N 0.36 0.00 -1.11 0.00 3.38 -0.88 -1.66 115.31 115.40 3n9i h LEU 107 Ca 0.13 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.30 3n9i h LEU 107 Cb 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 3n9i h LEU 107 CO -0.07 0.18 0.62 0.78 0.09 0.00 0.00 178.44 180.03 3n9i h ASN 108 N 0.00 0.70 0.85 -0.43 -0.26 -0.32 -0.66 115.58 115.47 3n9i h ASN 108 Ca -0.00 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3n9i h ASN 108 Cb 0.43 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 3n9i h ASN 108 CO 0.02 0.24 0.00 0.00 -1.06 0.00 0.00 177.43 176.63 3n9i n TYR 110 N -1.79 0.34 -5.06 0.00 4.01 -0.29 -4.98 117.16 109.40 3n9i n TYR 110 Ca 0.04 -0.85 -0.32 0.00 -0.16 0.00 0.00 57.90 56.61 3n9i n TYR 110 Cb 0.27 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 38.97 3n9i n TYR 110 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3n9i s THR 111 N -2.44 2.53 0.17 -0.72 2.01 -0.98 -4.84 115.64 111.37 3n9i s THR 111 Ca 0.30 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 3n9i s THR 111 Cb 0.25 -1.98 -0.08 0.00 0.01 0.00 0.00 72.50 70.70 3n9i s THR 111 CO 0.06 0.56 0.80 -0.31 -0.69 0.00 0.00 174.62 175.04 3n9i s TYR 112 N -0.16 3.91 0.27 4.92 2.02 -1.26 -4.94 117.35 122.10 3n9i s TYR 112 Ca -0.02 1.67 -0.00 0.00 -0.37 0.00 0.00 57.07 58.34 3n9i s TYR 112 Cb -0.14 -2.80 0.56 0.00 -0.40 0.00 0.00 41.96 39.18 3n9i s TYR 112 CO 0.04 0.49 1.76 0.35 -1.57 0.00 0.00 175.55 176.62 3n9i h PHE 113 N 4.39 0.81 -0.98 2.71 3.57 -2.00 -1.42 116.94 124.02 3n9i h PHE 113 Ca -0.47 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.17 3n9i h PHE 113 Cb 1.21 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 3n9i h PHE 113 CO 0.64 0.19 0.62 0.78 -2.23 0.00 0.00 178.31 178.31 3n9i h GLY 114 N 0.64 1.52 1.06 2.40 0.00 -1.99 0.15 103.07 106.86 3n9i h GLY 114 Ca 0.48 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 3n9i h GLY 114 CO -0.37 0.20 0.05 0.83 0.00 0.00 0.00 176.54 177.25 3n9i h GLU 115 N 0.99 1.05 -0.16 4.80 5.08 -1.65 -1.61 114.58 123.08 3n9i h GLU 115 Ca 0.46 -0.31 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 3n9i h GLU 115 Cb 0.42 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3n9i h GLU 115 CO -0.22 1.00 -0.65 -0.07 -1.00 0.00 0.00 179.01 178.07 3n9i h LEU 116 N 0.95 0.84 -0.87 1.33 3.38 -1.23 -2.99 115.31 116.72 3n9i h LEU 116 Ca 0.18 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.62 3n9i h LEU 116 Cb 0.50 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3n9i h LEU 116 CO 0.02 1.32 0.52 -1.28 0.09 0.00 0.00 178.44 179.11 3n9i h SER 117 N 0.42 0.76 1.11 -0.43 0.87 -0.84 -1.59 113.55 113.84 3n9i h SER 117 Ca -0.04 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3n9i h SER 117 Cb 1.28 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3n9i h SER 117 CO 0.14 0.44 0.00 0.03 -0.53 0.00 0.00 176.83 176.91 3n9i h ARG 118 N 0.87 0.00 0.00 2.24 3.08 -1.31 -2.80 114.38 116.46 3n9i h ARG 118 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3n9i h ARG 118 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3n9i h ARG 118 CO -0.24 0.00 0.00 0.52 -1.07 0.00 0.00 179.97 179.18 3n9i h MET 119 N 0.00 0.00 -7.49 0.04 2.86 -1.14 -3.47 114.93 105.74 3n9i h MET 119 Ca 0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 3n9i h MET 119 Cb 0.56 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.34 3n9i h MET 119 CO 0.00 0.00 0.28 0.95 1.06 0.00 0.00 176.91 179.20 3n9i s THR 120 N -3.24 2.06 -1.72 2.22 -4.23 -1.06 -5.00 115.64 104.68 3n9i s THR 120 Ca 0.07 -0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 3n9i s THR 120 Cb 0.07 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.34 3n9i s THR 120 CO 0.63 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.82 3n9i n GLN 121 N -3.32 1.68 -0.29 3.99 6.02 -1.26 -4.63 117.38 119.57 3n9i n GLN 121 Ca 0.15 -0.86 0.04 0.00 -0.01 0.00 0.00 57.00 56.32 3n9i n GLN 121 Cb 0.60 -1.30 0.25 0.00 1.02 0.00 0.00 30.24 30.81 3n9i n GLN 121 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3n9i h PHE 122 N 1.32 1.01 -0.00 1.08 -1.00 -1.90 -1.17 116.94 116.27 3n9i h PHE 122 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3n9i h PHE 122 Cb 0.45 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 3n9i h PHE 122 CO 0.20 0.54 0.02 1.57 -1.61 0.00 0.00 178.31 179.02 3n9i h LYS 123 N 1.00 0.00 0.00 1.51 2.10 -1.87 -1.56 116.57 117.75 3n9i h LYS 123 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3n9i h LYS 123 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3n9i h LYS 123 CO -0.14 0.00 -1.06 -0.25 -2.00 0.00 0.00 179.45 176.00 3n9i n ASP 124 N -3.25 0.91 -4.39 7.07 8.00 -0.46 -5.04 116.55 119.40 3n9i n ASP 124 Ca -0.03 -0.91 -0.19 0.00 0.71 0.00 0.00 54.79 54.37 3n9i n ASP 124 Cb 0.09 1.08 -0.10 0.00 -0.02 0.00 0.00 41.12 42.17 3n9i n ASP 124 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3n9i s LYS 125 N -3.00 1.47 0.73 -1.24 -0.14 -0.59 -5.14 119.74 111.83 3n9i s LYS 125 Ca 0.07 -1.75 -0.11 0.00 -1.36 0.00 0.00 55.97 52.81 3n9i s LYS 125 Cb 0.16 -0.86 0.03 0.00 -1.68 0.00 0.00 37.83 35.47 3n9i s LYS 125 CO 0.86 -0.06 1.07 -1.54 -0.76 0.00 0.00 175.35 174.92 3n9i s SER 126 N -3.39 5.06 0.33 2.83 1.04 -1.26 -4.89 113.70 113.41 3n9i s SER 126 Ca 0.30 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.25 3n9i s SER 126 Cb 0.05 -2.32 0.57 0.00 0.10 0.00 0.00 66.02 64.42 3n9i s SER 126 CO 0.11 -1.64 1.89 0.00 0.98 0.00 0.00 173.24 174.59 3n9i h ALA 127 N -0.85 1.37 -0.60 5.32 0.00 -1.99 -2.48 119.26 120.03 3n9i h ALA 127 Ca -0.45 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.31 3n9i h ALA 127 Cb 1.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3n9i h ALA 127 CO 0.58 0.45 0.39 -0.09 0.00 0.00 0.00 179.25 180.58 3n9i h ARG 128 N 0.63 0.76 0.39 0.00 2.43 -1.99 -0.23 114.38 116.38 3n9i h ARG 128 Ca 0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3n9i h ARG 128 Cb 0.24 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3n9i h ARG 128 CO -0.00 0.50 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.83 3n9i h TYR 129 N 0.78 -0.55 -0.91 2.20 3.20 -1.89 -2.09 116.97 117.70 3n9i h TYR 129 Ca 0.23 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.16 3n9i h TYR 129 Cb -0.05 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 3n9i h TYR 129 CO -0.04 -0.34 0.59 0.00 -1.64 0.00 0.00 178.16 176.74 3n9i h ALA 130 N 0.03 1.53 0.00 1.82 0.00 -1.21 -2.22 119.26 119.22 3n9i h ALA 130 Ca -0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3n9i h ALA 130 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3n9i h ALA 130 CO 0.07 0.31 -0.40 0.93 0.00 0.00 0.00 179.25 180.16 3n9i h GLU 131 N 1.00 0.00 -0.01 0.00 5.08 -0.83 -3.20 114.58 116.63 3n9i h GLU 131 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3n9i h GLU 131 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3n9i h GLU 131 CO -0.16 0.40 -0.43 0.09 -1.00 0.00 0.00 179.01 177.90 3n9i n ASN 132 N -3.58 0.95 -4.81 1.42 3.02 -0.81 -4.90 115.26 106.56 3n9i n ASN 132 Ca -0.00 -0.75 -0.32 0.00 -0.03 0.00 0.00 54.58 53.48 3n9i n ASN 132 Cb 0.51 0.29 0.04 0.00 -0.61 0.00 0.00 39.78 40.01 3n9i n ASN 132 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3n9i s ILE 133 N -2.71 3.96 0.46 2.41 -4.36 -1.10 -5.03 121.20 114.82 3n9i s ILE 133 Ca 0.18 0.73 -0.09 0.00 -0.26 0.00 0.00 60.65 61.20 3n9i s ILE 133 Cb 0.18 -3.39 -0.05 0.00 1.25 0.00 0.00 42.46 40.44 3n9i s ILE 133 CO 0.62 -0.74 0.81 0.54 0.24 0.00 0.00 174.94 176.41 3n9i s ASN 134 N -3.47 6.42 0.54 4.36 2.20 -1.26 -4.96 114.94 118.77 3n9i s ASN 134 Ca 0.60 1.12 0.27 0.00 -0.94 0.00 0.00 52.86 53.91 3n9i s ASN 134 Cb -0.15 -2.33 1.52 0.00 -2.00 0.00 0.00 41.25 38.30 3n9i s ASN 134 CO 0.49 -0.52 2.12 0.00 -2.94 0.00 0.00 177.10 176.25 3n9i h ALA 135 N 0.75 1.37 -0.59 3.54 0.00 -1.97 -1.94 119.26 120.41 3n9i h ALA 135 Ca -0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3n9i h ALA 135 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3n9i h ALA 135 CO 0.63 0.11 0.20 0.78 0.00 0.00 0.00 179.25 180.97 3n9i h GLY 136 N 0.61 0.98 1.23 0.00 0.00 -1.93 -0.02 103.07 103.95 3n9i h GLY 136 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3n9i h GLY 136 CO 0.01 0.54 0.13 -2.00 0.00 0.00 0.00 176.54 175.22 3n9i h LEU 137 N 0.84 0.90 -0.51 3.11 5.85 -1.61 0.62 115.31 124.51 3n9i h LEU 137 Ca 0.19 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3n9i h LEU 137 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3n9i h LEU 137 CO -0.01 0.88 0.09 0.15 -0.34 0.00 0.00 178.44 179.22 3n9i h PHE 138 N 0.91 0.89 -0.00 1.25 3.04 -1.30 -3.34 116.94 118.39 3n9i h PHE 138 Ca 0.19 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 62.02 3n9i h PHE 138 Cb 0.35 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.61 3n9i h PHE 138 CO 0.02 0.80 -0.55 -3.47 -2.02 0.00 0.00 178.31 173.10 3n9i n ASP 139 N -4.41 0.90 0.07 0.41 2.03 -0.05 -4.49 116.55 111.02 3n9i n ASP 139 Ca 0.01 -0.71 0.14 0.00 0.52 0.00 0.00 54.79 54.76 3n9i n ASP 139 Cb 0.25 0.41 0.63 0.00 -0.72 0.00 0.00 41.12 41.70 3n9i n ASP 139 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3n9i h TYR 140 N 0.55 0.09 -0.38 -0.67 -0.00 -1.01 -1.10 116.97 114.46 3n9i h TYR 140 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.73 58.84 3n9i h TYR 140 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 37.22 3n9i h TYR 140 CO 0.00 0.04 0.28 -1.35 -0.00 0.00 0.00 178.16 177.13 3n9i h PRO 141 N 0.09 0.00 -0.22 0.10 0.11 -1.86 -0.39 132.00 129.83 3n9i h PRO 141 Ca 0.17 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 3n9i h PRO 141 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 3n9i h PRO 141 CO -0.02 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 177.79 3n9i h VAL 142 N 0.00 1.32 -1.00 3.15 2.07 -1.54 -1.56 116.25 118.70 3n9i h VAL 142 Ca 0.18 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3n9i h VAL 142 Cb 0.73 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 3n9i h VAL 142 CO -0.00 0.45 0.66 0.25 0.02 0.00 0.00 177.57 178.95 3n9i h LEU 143 N 0.25 1.14 -0.76 2.57 5.85 -1.38 0.84 115.31 123.82 3n9i h LEU 143 Ca 0.03 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3n9i h LEU 143 Cb 0.83 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3n9i h LEU 143 CO 0.06 0.81 0.38 -0.03 -0.34 0.00 0.00 178.44 179.33 3n9i h MET 144 N 1.34 1.08 -0.38 1.25 4.05 -1.00 0.13 114.93 121.40 3n9i h MET 144 Ca 0.37 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3n9i h MET 144 Cb -0.12 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 3n9i h MET 144 CO -0.09 0.83 0.24 0.00 0.23 0.00 0.00 176.91 178.12 3n9i h ALA 145 N 1.19 0.48 -0.51 0.39 0.00 -0.78 -2.60 119.26 117.43 3n9i h ALA 145 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3n9i h ALA 145 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3n9i h ALA 145 CO -0.04 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.49 3n9i h ALA 146 N 1.11 0.65 -0.29 0.00 0.00 -0.11 -0.60 119.26 120.02 3n9i h ALA 146 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3n9i h ALA 146 Cb -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3n9i h ALA 146 CO -0.03 0.12 -0.07 -0.44 0.00 0.00 0.00 179.25 178.84 3n9i h ASP 147 N 0.69 -0.27 0.12 0.00 3.32 -0.57 -1.44 116.42 118.27 3n9i h ASP 147 Ca 0.19 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3n9i h ASP 147 Cb -0.03 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3n9i h ASP 147 CO -0.04 -0.09 -0.06 0.40 -1.72 0.00 0.00 179.24 177.73 3n9i h ILE 148 N 0.00 1.05 0.00 0.35 2.04 -1.20 -3.31 117.51 116.43 3n9i h ILE 148 Ca 0.14 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 3n9i h ILE 148 Cb 0.21 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3n9i h ILE 148 CO -0.30 0.17 -0.24 -0.07 0.00 0.00 0.00 178.15 177.72 3n9i h LEU 149 N -0.50 0.00 -1.89 1.44 3.38 -0.95 -2.94 115.31 113.86 3n9i h LEU 149 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3n9i h LEU 149 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3n9i h LEU 149 CO 0.03 0.24 -0.12 0.25 0.09 0.00 0.00 178.44 178.93 3n9i h LEU 150 N 0.00 0.00 -3.09 1.67 5.85 -1.35 -2.94 115.31 115.45 3n9i h LEU 150 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3n9i h LEU 150 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3n9i h LEU 150 CO 0.03 0.12 0.00 -1.22 -0.34 0.00 0.00 178.44 177.03 3n9i n TYR 151 N -4.08 1.32 -3.74 1.25 4.01 -1.11 -4.43 117.16 110.38 3n9i n TYR 151 Ca -0.02 -0.61 -0.28 0.00 -0.16 0.00 0.00 57.90 56.83 3n9i n TYR 151 Cb 0.20 -0.20 0.04 0.00 -0.31 0.00 0.00 39.34 39.06 3n9i n TYR 151 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3n9i n GLN 152 N 1.04 -5.91 -1.98 -0.72 1.13 -1.11 -4.89 117.38 104.94 3n9i n GLN 152 Ca 0.24 0.67 -0.42 0.00 -1.94 0.00 0.00 57.00 55.55 3n9i n GLN 152 Cb 0.83 -5.58 -0.02 0.00 0.11 0.00 0.00 30.24 25.57 3n9i n GLN 152 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3n9i s THR 153 N -3.27 2.63 -0.12 5.09 2.01 -1.24 -4.76 115.64 115.98 3n9i s THR 153 Ca 0.61 0.50 -0.05 0.00 0.31 0.00 0.00 61.69 63.06 3n9i s THR 153 Cb -0.30 -3.32 -0.26 0.00 0.01 0.00 0.00 72.50 68.64 3n9i s THR 153 CO 0.75 0.07 0.35 0.59 -0.69 0.00 0.00 174.62 175.69 3n9i n ASN 154 N 2.86 2.04 -3.93 3.53 4.13 0.14 -4.20 115.26 119.83 3n9i n ASN 154 Ca 0.09 0.20 -0.12 0.00 1.68 0.00 0.00 54.58 56.44 3n9i n ASN 154 Cb 0.40 -0.79 -0.13 0.00 -1.54 0.00 0.00 39.78 37.72 3n9i n ASN 154 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3n9i s GLN 155 N -2.56 0.19 -0.08 3.52 -0.21 -0.67 -0.37 119.66 119.47 3n9i s GLN 155 Ca -0.22 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 54.92 3n9i s GLN 155 Cb 0.07 -0.05 0.02 0.00 1.00 0.00 0.00 33.01 34.05 3n9i s GLN 155 CO 0.77 0.01 -0.11 0.08 -2.12 0.00 0.00 175.29 173.91 3n9i s VAL 156 N -0.54 1.13 -0.15 1.09 1.01 -0.35 -2.06 120.40 120.52 3n9i s VAL 156 Ca -0.05 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3n9i s VAL 156 Cb -0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3n9i s VAL 156 CO -0.00 0.36 1.51 -2.84 0.00 0.00 0.00 175.10 174.13 3n9i s PRO 157 N 1.02 4.06 -0.14 2.72 0.02 -1.26 -0.04 135.00 141.38 3n9i s PRO 157 Ca -0.08 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.78 3n9i s PRO 157 Cb -0.15 -3.93 0.02 0.00 0.02 0.00 0.00 34.50 30.46 3n9i s PRO 157 CO -0.01 -0.96 -0.17 0.54 -0.33 0.00 0.00 177.00 176.07 3n9i s VAL 158 N 4.26 1.75 0.58 3.83 0.11 -1.26 -4.94 120.40 124.72 3n9i s VAL 158 Ca 0.66 -0.77 -0.15 0.00 -2.93 0.00 0.00 61.98 58.79 3n9i s VAL 158 Cb -0.26 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 3n9i s VAL 158 CO 0.25 0.49 1.03 -0.83 -3.33 0.00 0.00 175.10 172.71 3n9i s GLY 159 N 1.13 2.04 0.30 6.54 0.00 -1.26 -4.95 107.32 111.13 3n9i s GLY 159 Ca -0.02 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.03 3n9i s GLY 159 CO -0.06 0.57 1.68 0.83 0.00 0.00 0.00 173.10 176.12 3n9i h GLU 160 N 0.44 0.35 0.00 2.90 3.07 -2.02 0.30 114.58 119.62 3n9i h GLU 160 Ca -0.46 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3n9i h GLU 160 Cb 1.21 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3n9i h GLU 160 CO 0.59 0.23 0.00 0.38 -1.40 0.00 0.00 179.01 178.81 3n9i h ASP 161 N 0.36 0.00 -0.55 1.42 2.03 -2.05 -2.72 116.42 114.91 3n9i h ASP 161 Ca 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.90 3n9i h ASP 161 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3n9i h ASP 161 CO -0.56 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.65 3n9i n GLN 162 N -2.39 2.61 -0.07 4.15 1.13 0.11 -4.62 117.38 118.30 3n9i n GLN 162 Ca 0.01 -2.46 -0.11 0.00 -1.94 0.00 0.00 57.00 52.50 3n9i n GLN 162 Cb 0.17 -1.53 -0.04 0.00 0.11 0.00 0.00 30.24 28.95 3n9i n GLN 162 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3n9i h LYS 163 N 4.30 0.33 -0.97 -1.09 1.57 -1.49 -2.00 116.57 117.21 3n9i h LYS 163 Ca 0.00 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.85 3n9i h LYS 163 Cb 0.98 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 3n9i h LYS 163 CO 0.00 0.41 0.59 1.96 -0.57 0.00 0.00 179.45 181.85 3n9i h GLN 164 N 0.19 0.86 -0.20 3.15 4.20 -1.82 -0.51 115.11 120.98 3n9i h GLN 164 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3n9i h GLN 164 Cb 0.21 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3n9i h GLN 164 CO -0.00 0.57 0.02 0.45 -0.67 0.00 0.00 178.83 179.19 3n9i h HIS 165 N 0.88 0.37 -0.59 2.96 3.86 -1.77 -1.33 115.15 119.54 3n9i h HIS 165 Ca 0.51 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.64 3n9i h HIS 165 Cb 0.60 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 3n9i h HIS 165 CO -0.02 0.52 0.29 1.25 0.86 0.00 0.00 177.93 180.82 3n9i h LEU 166 N 0.12 0.75 -0.70 2.43 5.85 -0.92 -2.14 115.31 120.70 3n9i h LEU 166 Ca 0.06 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3n9i h LEU 166 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3n9i h LEU 166 CO 0.01 0.64 0.06 -0.33 -0.34 0.00 0.00 178.44 178.48 3n9i h GLU 167 N 0.83 1.07 -0.83 1.25 5.08 -0.71 -1.84 114.58 119.44 3n9i h GLU 167 Ca 0.21 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3n9i h GLU 167 Cb 0.08 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3n9i h GLU 167 CO -0.03 1.00 0.42 1.25 -1.00 0.00 0.00 179.01 180.65 3n9i h LEU 168 N 0.99 1.06 -0.30 1.33 5.85 -1.03 -0.30 115.31 122.90 3n9i h LEU 168 Ca 0.19 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3n9i h LEU 168 Cb 0.48 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3n9i h LEU 168 CO 0.02 0.88 0.18 0.28 -0.34 0.00 0.00 178.44 179.46 3n9i h SER 169 N 1.16 0.29 -0.80 1.25 0.02 -1.04 0.67 113.55 115.11 3n9i h SER 169 Ca 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3n9i h SER 169 Cb 0.08 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3n9i h SER 169 CO -0.04 0.21 0.36 0.03 -1.14 0.00 0.00 176.83 176.25 3n9i h ARG 170 N 0.37 1.18 -0.42 3.45 3.08 -1.08 -0.87 114.38 120.08 3n9i h ARG 170 Ca 0.12 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3n9i h ARG 170 Cb -0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3n9i h ARG 170 CO -0.05 0.93 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.15 3n9i h ASP 171 N 1.16 0.89 -0.06 7.04 3.32 -0.42 -1.27 116.42 127.08 3n9i h ASP 171 Ca 0.27 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3n9i h ASP 171 Cb 0.16 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3n9i h ASP 171 CO -0.03 1.09 0.03 0.40 -1.72 0.00 0.00 179.24 179.01 3n9i h ILE 172 N 0.68 1.08 -0.62 0.35 2.04 -0.73 -1.04 117.51 119.28 3n9i h ILE 172 Ca 0.10 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.78 3n9i h ILE 172 Cb 0.74 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3n9i h ILE 172 CO 0.06 0.07 0.34 0.00 0.00 0.00 0.00 178.15 178.62 3n9i h ALA 173 N 0.94 0.82 -0.34 1.87 0.00 -1.07 -0.23 119.26 121.25 3n9i h ALA 173 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3n9i h ALA 173 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3n9i h ALA 173 CO -0.00 0.03 -0.16 0.77 0.00 0.00 0.00 179.25 179.88 3n9i h SER 174 N 0.65 0.72 -0.48 0.00 0.02 -1.13 0.02 113.55 113.35 3n9i h SER 174 Ca 0.27 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3n9i h SER 174 Cb 0.15 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3n9i h SER 174 CO -0.16 0.97 0.23 -0.09 -1.14 0.00 0.00 176.83 176.64 3n9i h ARG 175 N 0.48 0.45 -0.13 3.45 2.43 -0.85 0.08 114.38 120.27 3n9i h ARG 175 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3n9i h ARG 175 Cb 0.69 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3n9i h ARG 175 CO 0.05 0.29 0.01 0.35 -1.51 0.00 0.00 179.97 179.16 3n9i h PHE 176 N 0.46 0.25 -0.74 2.20 3.57 -0.91 -2.70 116.94 119.06 3n9i h PHE 176 Ca 0.21 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3n9i h PHE 176 Cb 0.14 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3n9i h PHE 176 CO -0.11 0.45 0.40 -0.91 -2.23 0.00 0.00 178.31 175.91 3n9i h ASN 177 N -0.03 0.92 -0.09 0.41 2.35 -0.83 -0.81 115.58 117.51 3n9i h ASN 177 Ca 0.04 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3n9i h ASN 177 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3n9i h ASN 177 CO 0.01 0.75 0.01 0.78 -1.65 0.00 0.00 177.43 177.32 3n9i h ASN 178 N 1.04 0.21 0.40 5.81 2.35 -0.87 0.11 115.58 124.63 3n9i h ASN 178 Ca 0.26 -0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.67 3n9i h ASN 178 Cb 0.03 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.36 3n9i h ASN 178 CO -0.04 0.25 -1.47 -0.07 -1.65 0.00 0.00 177.43 174.45 3n9i h LEU 179 N 0.23 0.60 -0.34 1.61 3.38 -1.01 -3.42 115.31 116.37 3n9i h LEU 179 Ca 0.06 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3n9i h LEU 179 Cb 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3n9i h LEU 179 CO 0.00 1.57 0.00 -1.22 0.09 0.00 0.00 178.44 178.88 3n9i n TYR 180 N -3.59 0.00 0.00 1.13 4.01 -0.39 -5.12 117.16 113.20 3n9i n TYR 180 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3n9i n TYR 180 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 3n9i n TYR 180 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n9i n GLY 181 N 0.50 -2.92 2.70 2.72 0.00 0.38 -4.85 105.19 103.72 3n9i n GLY 181 Ca 0.00 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 3n9i n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n9i n ASP 182 N 0.00 4.79 0.11 1.61 8.00 -1.26 -4.15 116.55 125.65 3n9i n ASP 182 Ca 0.00 -2.87 -0.24 0.00 0.71 0.00 0.00 54.79 52.39 3n9i n ASP 182 Cb 0.00 -1.60 -0.15 0.00 -0.02 0.00 0.00 41.12 39.34 3n9i n ASP 182 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3n9i h ILE 183 N 3.79 1.13 -3.30 0.53 1.08 -1.89 -3.45 117.51 115.39 3n9i h ILE 183 Ca 0.58 -2.61 -0.66 0.00 -0.39 0.00 0.00 64.86 61.78 3n9i h ILE 183 Cb 0.59 2.93 -0.13 0.00 -3.07 0.00 0.00 36.82 37.14 3n9i h ILE 183 CO 1.82 0.83 -0.63 -0.36 -0.69 0.00 0.00 178.15 179.11 3n9i s PHE 184 N -2.58 3.11 0.32 1.37 0.08 -1.26 -5.01 117.98 114.01 3n9i s PHE 184 Ca -0.12 0.10 -0.28 0.00 0.12 0.00 0.00 56.93 56.74 3n9i s PHE 184 Cb 0.04 -1.67 -0.09 0.00 -0.57 0.00 0.00 43.02 40.73 3n9i s PHE 184 CO 0.90 0.48 1.10 0.15 -0.10 0.00 0.00 175.22 177.75 3n9i s LYS 185 N -1.68 4.48 -0.35 0.44 -0.14 -1.26 -5.00 119.74 116.23 3n9i s LYS 185 Ca 0.21 1.75 -0.25 0.00 -1.36 0.00 0.00 55.97 56.32 3n9i s LYS 185 Cb -0.12 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.04 3n9i s LYS 185 CO 0.12 0.08 0.89 0.42 -0.76 0.00 0.00 175.35 176.10 3n9i s ILE 186 N -1.29 4.64 0.52 2.17 -1.09 -1.26 -4.83 121.20 120.06 3n9i s ILE 186 Ca 0.49 1.20 -0.18 0.00 -2.23 0.00 0.00 60.65 59.93 3n9i s ILE 186 Cb -0.30 -4.28 -0.07 0.00 -1.58 0.00 0.00 42.46 36.22 3n9i s ILE 186 CO 0.38 -0.46 1.00 -2.16 -1.23 0.00 0.00 174.94 172.48 3n9i s PRO 187 N 3.33 3.82 0.25 2.79 0.04 -1.26 -4.90 135.00 139.06 3n9i s PRO 187 Ca 0.37 1.09 0.11 0.00 0.04 0.00 0.00 61.00 62.61 3n9i s PRO 187 Cb -0.13 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3n9i s PRO 187 CO 0.17 -0.39 -0.17 -1.21 0.04 0.00 0.00 177.00 175.44 3n9i s GLU 188 N -3.82 1.78 0.31 4.56 0.41 0.50 -4.87 118.70 117.57 3n9i s GLU 188 Ca 0.62 -1.62 -0.29 0.00 -0.41 0.00 0.00 54.97 53.26 3n9i s GLU 188 Cb -0.12 -1.88 -0.10 0.00 -1.78 0.00 0.00 34.13 30.24 3n9i s GLU 188 CO 0.28 0.36 1.41 -1.25 -0.49 0.00 0.00 175.26 175.57 3n9i s PRO 189 N -3.30 4.26 -0.03 0.39 0.04 -1.26 -1.21 135.00 133.88 3n9i s PRO 189 Ca 0.28 2.35 -0.30 0.00 0.04 0.00 0.00 61.00 63.36 3n9i s PRO 189 Cb -0.06 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3n9i s PRO 189 CO 0.15 -0.36 1.06 0.12 0.04 0.00 0.00 177.00 178.01 3n9i s PHE 190 N -0.72 3.49 -0.49 0.56 5.36 0.94 -4.69 117.98 122.42 3n9i s PHE 190 Ca 0.54 1.51 -0.21 0.00 -0.96 0.00 0.00 56.93 57.81 3n9i s PHE 190 Cb -0.42 -3.25 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 3n9i s PHE 190 CO 0.52 -0.53 0.69 0.42 -1.46 0.00 0.00 175.22 174.87 3n9i s ILE 191 N 1.57 4.76 0.79 3.12 1.09 -1.26 -4.58 121.20 126.69 3n9i s ILE 191 Ca 0.53 -0.16 -0.11 0.00 -1.10 0.00 0.00 60.65 59.81 3n9i s ILE 191 Cb -0.22 -4.32 0.06 0.00 -1.06 0.00 0.00 42.46 36.92 3n9i s ILE 191 CO 0.24 -0.81 1.09 -2.16 -0.10 0.00 0.00 174.94 173.20 3n9i s PRO 192 N 2.95 2.15 0.16 2.79 0.04 -1.26 -4.94 135.00 136.89 3n9i s PRO 192 Ca 0.20 1.15 -0.34 0.00 0.04 0.00 0.00 61.00 62.05 3n9i s PRO 192 Cb -0.16 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 3n9i s PRO 192 CO 0.15 -1.71 1.55 0.36 0.04 0.00 0.00 177.00 177.40 3n9i n LYS 193 N -3.57 2.09 -2.00 4.56 -0.00 -1.26 -4.94 118.16 113.05 3n9i n LYS 193 Ca 0.09 0.75 -0.42 0.00 -0.00 0.00 0.00 58.31 58.73 3n9i n LYS 193 Cb 0.53 -2.51 -0.03 0.00 -0.00 0.00 0.00 35.03 33.03 3n9i n LYS 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3n9i s ALA 194 N 0.82 3.70 0.00 0.58 0.00 -1.26 -4.95 121.76 120.65 3n9i s ALA 194 Ca 0.78 1.31 0.00 0.00 0.00 0.00 0.00 51.96 54.06 3n9i s ALA 194 Cb -0.69 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 18.84 3n9i s ALA 194 CO 0.39 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3n9i n GLY 195 N 3.19 1.07 3.77 0.00 0.00 -1.26 -5.14 105.19 106.82 3n9i n GLY 195 Ca 0.11 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3n9i n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9i s ALA 196 N -2.00 3.49 0.10 4.61 0.00 -1.26 -5.02 121.76 121.68 3n9i s ALA 196 Ca 0.00 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 3n9i s ALA 196 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3n9i s ALA 196 CO 0.00 -0.58 0.60 1.03 0.00 0.00 0.00 175.76 176.81 3n9i s ARG 197 N -1.63 4.21 0.12 0.00 1.81 -1.26 -4.95 118.95 117.25 3n9i s ARG 197 Ca 0.49 0.76 -0.31 0.00 -1.72 0.00 0.00 55.73 54.95 3n9i s ARG 197 Cb -0.39 -3.19 -0.10 0.00 -0.45 0.00 0.00 34.95 30.83 3n9i s ARG 197 CO 0.50 0.60 1.71 0.08 -0.68 0.00 0.00 175.30 177.52 3n9i s VAL 198 N -1.18 2.70 0.34 3.52 1.01 -1.26 -4.99 120.40 120.53 3n9i s VAL 198 Ca 0.31 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.64 3n9i s VAL 198 Cb -0.19 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3n9i s VAL 198 CO 0.20 0.00 0.29 -0.04 0.00 0.00 0.00 175.10 175.55 3n9i s MET 199 N 2.33 2.71 0.37 2.72 1.00 -1.26 -2.33 119.30 124.85 3n9i s MET 199 Ca 0.76 -1.30 -0.28 0.00 0.00 0.00 0.00 55.69 54.87 3n9i s MET 199 Cb -0.44 -2.47 -0.11 0.00 0.00 0.00 0.00 34.83 31.81 3n9i s MET 199 CO 0.34 0.09 1.50 -1.12 0.00 0.00 0.00 175.02 175.83 3n9i s SER 200 N -4.00 6.32 0.29 3.03 0.01 0.70 -4.47 113.70 115.58 3n9i s SER 200 Ca 0.41 3.07 0.14 0.00 1.31 0.00 0.00 55.95 60.88 3n9i s SER 200 Cb -0.06 -2.67 0.35 0.00 0.21 0.00 0.00 66.02 63.85 3n9i s SER 200 CO 0.26 -0.90 1.58 -0.07 0.41 0.00 0.00 173.24 174.53 3n9i h LEU 201 N 3.07 0.00 -1.59 2.44 3.38 -1.69 -2.35 115.31 118.58 3n9i h LEU 201 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3n9i h LEU 201 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3n9i h LEU 201 CO 0.65 0.57 -0.05 0.00 0.09 0.00 0.00 178.44 179.70 3n9i n GLN 202 N -3.55 1.54 -3.10 1.13 1.13 -1.26 -1.37 117.38 111.90 3n9i n GLN 202 Ca -0.00 -1.48 -0.17 0.00 -1.94 0.00 0.00 57.00 53.41 3n9i n GLN 202 Cb 0.64 -1.34 -0.05 0.00 0.11 0.00 0.00 30.24 29.60 3n9i n GLN 202 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3n9i n ASP 203 N 0.86 -1.73 0.00 1.08 -0.08 -1.08 -4.90 116.55 110.70 3n9i n ASP 203 Ca 0.10 -2.65 0.08 0.00 -1.51 0.00 0.00 54.79 50.81 3n9i n ASP 203 Cb 0.44 0.46 0.45 0.00 2.34 0.00 0.00 41.12 44.82 3n9i n ASP 203 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3n9i n PRO 204 N 2.73 0.41 0.00 -0.67 -0.04 -0.90 -0.57 135.00 135.95 3n9i n PRO 204 Ca 0.24 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 3n9i n PRO 204 Cb 0.52 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.10 3n9i n PRO 204 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3n9i n THR 205 N -1.11 0.00 -5.14 0.52 -2.24 -1.26 -4.69 114.28 100.37 3n9i n THR 205 Ca 0.11 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 3n9i n THR 205 Cb 0.08 -0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.12 3n9i n THR 205 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3n9i s LYS 206 N -2.38 2.46 0.47 -0.78 1.02 0.26 -5.05 119.74 115.74 3n9i s LYS 206 Ca 0.31 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 55.22 3n9i s LYS 206 Cb 0.20 -2.22 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 3n9i s LYS 206 CO 0.45 0.49 1.41 1.17 -0.92 0.00 0.00 175.35 177.95 3n9i n LYS 207 N 2.65 2.11 -2.09 1.68 4.81 -1.26 -0.21 118.16 125.84 3n9i n LYS 207 Ca -0.17 0.75 -0.42 0.00 -0.87 0.00 0.00 58.31 57.61 3n9i n LYS 207 Cb 0.52 -2.60 -0.03 0.00 0.02 0.00 0.00 35.03 32.93 3n9i n LYS 207 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3n9i s MET 208 N -2.53 4.28 -0.05 1.64 -2.45 -0.99 -4.33 119.30 114.88 3n9i s MET 208 Ca 0.64 2.17 0.02 0.00 -1.25 0.00 0.00 55.69 57.27 3n9i s MET 208 Cb -0.45 -3.23 0.01 0.00 1.25 0.00 0.00 34.83 32.41 3n9i s MET 208 CO 0.56 -0.50 -0.11 0.45 1.05 0.00 0.00 175.02 176.47 3n9i s SER 209 N 1.16 1.56 0.29 1.11 0.15 -1.26 -4.88 113.70 111.82 3n9i s SER 209 Ca 0.67 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.09 3n9i s SER 209 Cb -0.39 -0.62 0.72 0.00 -1.71 0.00 0.00 66.02 64.02 3n9i s SER 209 CO 0.30 0.04 1.66 0.11 1.20 0.00 0.00 173.24 176.56 3n9i h LYS 210 N 6.76 0.27 -0.04 5.44 1.57 -1.96 -2.81 116.57 125.80 3n9i h LYS 210 Ca -0.33 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3n9i h LYS 210 Cb 1.18 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3n9i h LYS 210 CO 0.48 0.18 0.00 -1.13 -0.57 0.00 0.00 179.45 178.40 3n9i n SER 211 N -5.16 1.03 -4.69 0.86 3.41 -1.26 -4.91 113.62 102.91 3n9i n SER 211 Ca 0.22 -1.41 -0.44 0.00 -0.26 0.00 0.00 58.87 56.97 3n9i n SER 211 Cb 0.67 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 3n9i n SER 211 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3n9i n ASP 212 N -0.17 3.35 0.21 4.04 -0.08 -1.06 -4.88 116.55 117.96 3n9i n ASP 212 Ca 0.19 1.09 0.14 0.00 -1.51 0.00 0.00 54.79 54.70 3n9i n ASP 212 Cb 0.26 -1.48 0.40 0.00 2.34 0.00 0.00 41.12 42.64 3n9i n ASP 212 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3n9i h ASP 213 N 5.86 0.00 -2.92 1.67 3.32 -1.92 -3.39 116.42 119.04 3n9i h ASP 213 Ca -0.45 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 55.90 3n9i h ASP 213 Cb 1.24 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.59 3n9i h ASP 213 CO 0.88 0.00 0.14 0.21 -1.72 0.00 0.00 179.24 178.75 3n9i s ASN 214 N -5.60 6.23 0.50 6.45 3.84 -1.26 -4.89 114.94 120.21 3n9i s ASN 214 Ca 0.05 -1.53 0.33 0.00 0.21 0.00 0.00 52.86 51.93 3n9i s ASN 214 Cb 0.08 -2.30 1.51 0.00 -0.55 0.00 0.00 41.25 39.98 3n9i s ASN 214 CO 0.59 -1.09 1.99 0.03 -2.79 0.00 0.00 177.10 175.84 3n9i h ARG 215 N 9.11 0.00 0.00 0.43 2.47 -1.94 -1.57 114.38 122.88 3n9i h ARG 215 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3n9i h ARG 215 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3n9i h ARG 215 CO 1.09 0.00 0.00 -0.91 0.56 0.00 0.00 179.97 180.71 3n9i h ASN 216 N 0.00 0.00 1.57 7.04 2.35 -1.95 -2.38 115.58 122.21 3n9i h ASN 216 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3n9i h ASN 216 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3n9i h ASN 216 CO 0.00 0.00 -0.02 0.78 -1.65 0.00 0.00 177.43 176.54 3n9i h ASN 217 N 0.00 0.00 -4.41 5.81 -0.26 -1.67 -3.40 115.58 111.66 3n9i h ASN 217 Ca 0.00 0.00 -0.70 0.00 -0.56 0.00 0.00 56.30 55.04 3n9i h ASN 217 Cb 0.31 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 37.28 3n9i h ASN 217 CO 0.00 0.02 -0.88 -0.69 -1.06 0.00 0.00 177.43 174.82 3n9i s VAL 218 N -3.40 2.16 -0.19 2.81 1.01 -0.90 -2.36 120.40 119.54 3n9i s VAL 218 Ca 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3n9i s VAL 218 Cb 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3n9i s VAL 218 CO 0.62 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 175.54 3n9i s ILE 219 N -0.51 2.66 0.11 2.22 -1.09 -1.26 -4.97 121.20 118.37 3n9i s ILE 219 Ca 0.07 -0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 57.74 3n9i s ILE 219 Cb -0.11 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 3n9i s ILE 219 CO 0.00 0.49 0.28 -1.61 -1.23 0.00 0.00 174.94 172.88 3n9i s GLU 220 N 1.22 3.49 0.37 2.79 2.02 -1.26 -0.67 118.70 126.66 3n9i s GLU 220 Ca 0.02 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.70 3n9i s GLU 220 Cb -0.14 -2.96 0.73 0.00 0.10 0.00 0.00 34.13 31.86 3n9i s GLU 220 CO -0.06 0.54 1.95 -0.07 0.02 0.00 0.00 175.26 177.64 3n9i h LEU 221 N 2.72 0.43 -2.91 1.80 3.38 -1.49 -2.52 115.31 116.73 3n9i h LEU 221 Ca -0.46 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3n9i h LEU 221 Cb 1.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3n9i h LEU 221 CO 0.73 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.89 3n9i n LEU 222 N -4.35 4.44 -4.77 1.67 4.77 -1.26 -4.75 117.00 112.75 3n9i n LEU 222 Ca 0.02 -2.24 -0.38 0.00 -0.03 0.00 0.00 56.01 53.38 3n9i n LEU 222 Cb 0.18 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3n9i n LEU 222 CO 0.37 0.80 0.81 -0.70 -1.33 0.00 0.00 177.39 177.34 3n9i s GLU 223 N -1.71 4.19 -0.15 3.23 2.12 -0.95 -4.93 118.70 120.50 3n9i s GLU 223 Ca 0.49 1.75 -0.39 0.00 0.36 0.00 0.00 54.97 57.18 3n9i s GLU 223 Cb 0.30 -2.73 -0.16 0.00 0.26 0.00 0.00 34.13 31.79 3n9i s GLU 223 CO 0.25 -0.18 1.57 -3.47 -0.54 0.00 0.00 175.26 172.89 3n9i n ASP 224 N 0.24 1.99 -0.04 -1.70 -0.08 -1.26 -4.81 116.55 110.89 3n9i n ASP 224 Ca 0.03 1.10 0.22 0.00 -1.51 0.00 0.00 54.79 54.63 3n9i n ASP 224 Cb 0.47 -1.14 0.70 0.00 2.34 0.00 0.00 41.12 43.49 3n9i n ASP 224 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3n9i h PRO 225 N 6.03 0.00 -0.97 -0.67 0.11 -1.94 -0.21 132.00 134.36 3n9i h PRO 225 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3n9i h PRO 225 Cb 1.33 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.39 3n9i h PRO 225 CO 0.89 0.00 0.60 0.87 -0.21 0.00 0.00 178.00 180.15 3n9i h LYS 226 N 0.00 1.30 -0.28 1.05 1.57 -2.00 -1.34 116.57 116.87 3n9i h LYS 226 Ca 0.29 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3n9i h LYS 226 Cb 1.15 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3n9i h LYS 226 CO -0.00 0.90 -0.35 1.03 -0.57 0.00 0.00 179.45 180.46 3n9i h SER 227 N 1.33 0.79 -0.20 0.86 0.87 -1.42 -2.12 113.55 113.67 3n9i h SER 227 Ca 0.35 -0.49 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3n9i h SER 227 Cb -0.08 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 3n9i h SER 227 CO -0.07 1.13 0.00 0.58 -0.53 0.00 0.00 176.83 177.94 3n9i h VAL 228 N 0.47 0.87 -0.69 2.23 2.07 -1.22 -1.11 116.25 118.87 3n9i h VAL 228 Ca 0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3n9i h VAL 228 Cb 0.93 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3n9i h VAL 228 CO 0.08 0.01 0.38 0.58 0.02 0.00 0.00 177.57 178.64 3n9i h VAL 229 N 0.07 1.21 -0.47 2.57 2.07 -1.22 -2.03 116.25 118.45 3n9i h VAL 229 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3n9i h VAL 229 Cb 0.11 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3n9i h VAL 229 CO -0.15 0.23 0.27 0.50 0.02 0.00 0.00 177.57 178.44 3n9i h LYS 230 N 0.94 0.65 -0.24 1.57 3.64 -1.08 -1.24 116.57 120.81 3n9i h LYS 230 Ca 0.24 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 3n9i h LYS 230 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3n9i h LYS 230 CO -0.04 0.50 -0.32 0.87 -2.27 0.00 0.00 179.45 178.19 3n9i h LYS 231 N 0.62 0.51 -0.20 1.90 1.57 -0.90 -2.56 116.57 117.52 3n9i h LYS 231 Ca 0.17 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3n9i h LYS 231 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3n9i h LYS 231 CO -0.03 0.77 -0.30 0.82 -0.57 0.00 0.00 179.45 180.15 3n9i h ILE 232 N 0.44 1.33 0.00 1.86 2.04 -1.26 -3.03 117.51 118.89 3n9i h ILE 232 Ca 0.05 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 3n9i h ILE 232 Cb 0.78 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3n9i h ILE 232 CO 0.06 0.46 -0.13 0.11 0.00 0.00 0.00 178.15 178.65 3n9i h LYS 233 N 0.22 0.00 -0.35 2.37 1.57 -1.11 -1.51 116.57 117.75 3n9i h LYS 233 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3n9i h LYS 233 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3n9i h LYS 233 CO 0.07 0.13 0.00 2.89 -0.57 0.00 0.00 179.45 181.97 3n9i n ARG 234 N -3.77 2.12 -1.67 3.15 1.85 -0.97 -4.99 116.66 112.37 3n9i n ARG 234 Ca -0.02 -1.71 -0.41 0.00 -1.00 0.00 0.00 57.85 54.72 3n9i n ARG 234 Cb 0.24 -1.43 0.01 0.00 -1.05 0.00 0.00 32.46 30.23 3n9i n ARG 234 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3n9i n ALA 235 N 0.91 0.96 -2.27 2.89 0.00 -0.57 -4.90 120.51 117.52 3n9i n ALA 235 Ca 0.17 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 3n9i n ALA 235 Cb 0.45 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 3n9i n ALA 235 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3n9i s MET 236 N -2.17 4.35 0.26 0.00 1.75 -0.47 -5.03 119.30 117.99 3n9i s MET 236 Ca 0.62 1.94 0.03 0.00 -1.25 0.00 0.00 55.69 57.03 3n9i s MET 236 Cb -0.52 -3.36 -0.05 0.00 2.84 0.00 0.00 34.83 33.74 3n9i s MET 236 CO 0.57 -0.41 0.02 0.95 -0.65 0.00 0.00 175.02 175.51 3n9i s THR 237 N 1.39 1.01 0.96 10.11 -4.23 -1.26 -4.35 115.64 119.27 3n9i s THR 237 Ca 0.62 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.97 3n9i s THR 237 Cb -0.33 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.19 3n9i s THR 237 CO 0.29 -0.20 1.15 1.51 -0.54 0.00 0.00 174.62 176.83 3n9i s ASP 238 N -3.35 3.03 -0.21 3.99 1.47 -1.26 -4.99 116.67 115.35 3n9i s ASP 238 Ca 0.32 0.85 0.15 0.00 1.18 0.00 0.00 52.55 55.05 3n9i s ASP 238 Cb 0.07 -1.33 0.74 0.00 -0.34 0.00 0.00 42.92 42.05 3n9i s ASP 238 CO 0.11 -2.84 1.66 -1.20 0.68 0.00 0.00 175.17 173.58 3n9i n SER 239 N -3.94 5.18 -4.63 2.11 7.64 -1.26 -5.02 113.62 113.70 3n9i n SER 239 Ca 0.08 -2.89 -0.43 0.00 1.01 0.00 0.00 58.87 56.64 3n9i n SER 239 Cb 0.59 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 3n9i n SER 239 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n9i n ASP 240 N 0.40 1.71 -3.81 6.43 8.00 -1.26 -4.97 116.55 123.06 3n9i n ASP 240 Ca 0.26 1.15 -0.26 0.00 0.71 0.00 0.00 54.79 56.65 3n9i n ASP 240 Cb 1.09 -1.36 -0.17 0.00 -0.02 0.00 0.00 41.12 40.66 3n9i n ASP 240 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3n9i s GLU 241 N -1.77 0.94 0.72 -1.24 2.02 -1.26 -3.13 118.70 114.97 3n9i s GLU 241 Ca 0.59 -0.19 -0.13 0.00 0.02 0.00 0.00 54.97 55.25 3n9i s GLU 241 Cb -0.62 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.11 3n9i s GLU 241 CO 0.60 -0.40 1.11 -1.25 0.02 0.00 0.00 175.26 175.35 3n9i s PRO 242 N 1.84 2.46 -0.24 0.39 0.04 -1.26 -5.08 135.00 133.14 3n9i s PRO 242 Ca 0.03 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 3n9i s PRO 242 Cb -0.14 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3n9i s PRO 242 CO -0.07 -1.51 1.18 0.00 0.04 0.00 0.00 177.00 176.64 3n9i s ALA 243 N -2.51 3.57 -0.08 8.56 0.00 -1.18 -5.00 121.76 125.10 3n9i s ALA 243 Ca 0.66 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.86 3n9i s ALA 243 Cb -0.20 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 3n9i s ALA 243 CO 0.48 -1.35 -0.21 -0.51 0.00 0.00 0.00 175.76 174.17 3n9i s LEU 244 N 3.66 2.28 -1.01 0.00 1.43 -1.26 -4.91 118.68 118.86 3n9i s LEU 244 Ca 0.51 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 3n9i s LEU 244 Cb -0.17 -1.45 0.19 0.00 0.03 0.00 0.00 46.19 44.79 3n9i s LEU 244 CO 0.15 0.22 1.11 -0.63 0.23 0.00 0.00 176.35 177.43 3n9i s ILE 245 N 0.01 5.29 0.01 -0.59 1.01 -1.26 -4.96 121.20 120.71 3n9i s ILE 245 Ca -0.07 -2.45 0.02 0.00 0.00 0.00 0.00 60.65 58.15 3n9i s ILE 245 Cb -0.15 -4.70 -0.01 0.00 0.01 0.00 0.00 42.46 37.61 3n9i s ILE 245 CO 0.05 -1.35 -0.07 -0.13 0.00 0.00 0.00 174.94 173.44 3n9i s ARG 246 N 0.97 0.54 -0.16 2.79 1.81 -1.26 -4.70 118.95 118.94 3n9i s ARG 246 Ca 0.31 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.65 3n9i s ARG 246 Cb -0.07 -0.48 -0.01 0.00 -0.45 0.00 0.00 34.95 33.95 3n9i s ARG 246 CO -0.07 0.12 1.17 -0.47 -0.68 0.00 0.00 175.30 175.38 3n9i s TYR 247 N -0.48 3.08 -0.29 -0.53 5.04 -1.26 -4.59 117.35 118.31 3n9i s TYR 247 Ca -0.00 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 55.84 3n9i s TYR 247 Cb -0.05 -3.41 0.19 0.00 0.35 0.00 0.00 41.96 39.05 3n9i s TYR 247 CO 0.00 -1.21 0.68 0.34 -1.34 0.00 0.00 175.55 174.02 3n9i s ASP 248 N 1.63 -1.36 0.33 4.32 -1.08 -1.26 -5.05 116.67 114.20 3n9i s ASP 248 Ca 0.51 0.34 0.08 0.00 -0.52 0.00 0.00 52.55 52.96 3n9i s ASP 248 Cb -0.20 1.93 0.57 0.00 -1.46 0.00 0.00 42.92 43.76 3n9i s ASP 248 CO 0.13 -0.25 1.78 0.58 0.52 0.00 0.00 175.17 177.93 3n9i h VAL 249 N 5.77 1.26 0.07 1.11 2.07 -1.93 0.18 116.25 124.79 3n9i h VAL 249 Ca -0.08 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3n9i h VAL 249 Cb 1.18 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3n9i h VAL 249 CO 0.13 0.38 -0.03 -0.08 0.02 0.00 0.00 177.57 177.98 3n9i h GLU 250 N 0.22 -0.09 0.00 1.57 4.81 -1.97 -3.23 114.58 115.89 3n9i h GLU 250 Ca 0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3n9i h GLU 250 Cb 0.65 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3n9i h GLU 250 CO 0.05 0.25 -1.33 1.63 -0.73 0.00 0.00 179.01 178.88 3n9i n LYS 251 N -4.97 1.02 -2.82 1.92 5.02 -1.21 -4.62 118.16 112.51 3n9i n LYS 251 Ca -0.08 -0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 55.94 3n9i n LYS 251 Cb 0.20 -1.33 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3n9i n LYS 251 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3n9i n LYS 252 N -1.78 1.85 -0.12 1.97 5.02 0.64 -4.92 118.16 120.81 3n9i n LYS 252 Ca -0.00 -3.77 -0.06 0.00 -2.02 0.00 0.00 58.31 52.46 3n9i n LYS 252 Cb 0.35 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3n9i n LYS 252 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n9i h ALA 253 N 2.92 0.45 -0.11 7.82 0.00 -1.58 0.45 119.26 129.21 3n9i h ALA 253 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3n9i h ALA 253 Cb 0.97 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3n9i h ALA 253 CO 0.61 -0.25 -0.02 0.78 0.00 0.00 0.00 179.25 180.38 3n9i h GLY 254 N 0.30 0.22 0.98 0.00 0.00 -1.89 -0.56 103.07 102.11 3n9i h GLY 254 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3n9i h GLY 254 CO -0.18 0.16 0.43 -2.08 0.00 0.00 0.00 176.54 174.87 3n9i h VAL 255 N -0.10 1.15 -0.33 4.60 2.07 -1.76 -1.91 116.25 119.98 3n9i h VAL 255 Ca 0.03 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3n9i h VAL 255 Cb 0.41 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3n9i h VAL 255 CO 0.01 0.16 0.20 0.28 0.02 0.00 0.00 177.57 178.24 3n9i h SER 256 N 0.88 0.39 -0.81 0.57 0.02 -0.81 -1.42 113.55 112.37 3n9i h SER 256 Ca 0.25 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3n9i h SER 256 Cb -0.08 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 3n9i h SER 256 CO -0.06 0.32 0.49 -1.13 -1.14 0.00 0.00 176.83 175.31 3n9i h ASN 257 N 0.42 0.77 -0.54 3.07 -0.00 -0.97 0.72 115.58 119.06 3n9i h ASN 257 Ca 0.12 0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.39 3n9i h ASN 257 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.16 3n9i h ASN 257 CO -0.02 0.49 0.14 -0.07 -0.00 0.00 0.00 177.43 177.97 3n9i h LEU 258 N 0.90 0.81 -0.54 0.34 3.38 -0.97 -0.86 115.31 118.38 3n9i h LEU 258 Ca 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3n9i h LEU 258 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3n9i h LEU 258 CO -0.17 0.83 0.21 -0.07 0.09 0.00 0.00 178.44 179.33 3n9i h LEU 259 N 0.76 0.75 -0.64 1.67 3.38 -0.86 -1.20 115.31 119.17 3n9i h LEU 259 Ca 0.17 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3n9i h LEU 259 Cb 0.33 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3n9i h LEU 259 CO 0.00 0.72 0.38 0.44 0.09 0.00 0.00 178.44 180.07 3n9i h ASP 260 N 0.73 0.59 -0.29 -0.43 3.32 -0.58 -0.10 116.42 119.67 3n9i h ASP 260 Ca 0.18 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3n9i h ASP 260 Cb 0.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3n9i h ASP 260 CO -0.01 0.40 0.03 0.40 -1.72 0.00 0.00 179.24 178.34 3n9i h ILE 261 N 0.72 1.24 -0.43 0.35 2.04 -0.90 -1.00 117.51 119.53 3n9i h ILE 261 Ca 0.27 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3n9i h ILE 261 Cb 0.08 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3n9i h ILE 261 CO -0.13 0.27 0.26 0.25 0.00 0.00 0.00 178.15 178.80 3n9i h LEU 262 N 0.29 0.51 -1.05 1.44 5.85 -1.00 -1.38 115.31 119.97 3n9i h LEU 262 Ca 0.09 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3n9i h LEU 262 Cb 0.37 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3n9i h LEU 262 CO 0.01 0.42 0.64 -1.28 -0.34 0.00 0.00 178.44 177.88 3n9i h SER 263 N 0.57 1.09 -0.30 1.25 0.87 -0.95 0.22 113.55 116.31 3n9i h SER 263 Ca 0.15 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3n9i h SER 263 Cb -0.00 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3n9i h SER 263 CO -0.03 0.78 0.06 1.23 -0.53 0.00 0.00 176.83 178.34 3n9i h GLY 264 N 1.28 0.62 0.10 5.77 0.00 -0.52 0.14 103.07 110.46 3n9i h GLY 264 Ca 0.36 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3n9i h GLY 264 CO -0.09 0.32 -0.02 -2.08 0.00 0.00 0.00 176.54 174.68 3n9i h VAL 265 N 0.56 1.18 0.00 4.60 2.07 -0.22 -3.39 116.25 121.04 3n9i h VAL 265 Ca 0.13 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3n9i h VAL 265 Cb 0.27 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3n9i h VAL 265 CO 0.00 0.38 -0.69 0.71 0.02 0.00 0.00 177.57 177.99 3n9i h THR 266 N -0.94 0.00 0.00 2.57 1.35 -0.61 -3.48 112.91 111.80 3n9i h THR 266 Ca -0.00 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3n9i h THR 266 Cb 0.65 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3n9i h THR 266 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3n9i n GLY 267 N 1.17 1.71 3.76 5.82 0.00 0.48 -5.03 105.19 113.10 3n9i n GLY 267 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3n9i n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n9i s GLN 268 N -0.34 4.43 0.82 1.61 -0.21 -1.25 -4.99 119.66 119.72 3n9i s GLN 268 Ca 0.00 2.09 -0.10 0.00 0.02 0.00 0.00 55.36 57.37 3n9i s GLN 268 Cb 0.00 -3.13 0.09 0.00 1.00 0.00 0.00 33.01 30.97 3n9i s GLN 268 CO 0.00 -0.12 1.11 -1.54 -2.12 0.00 0.00 175.29 172.62 3n9i s SER 269 N -0.38 4.01 0.13 5.90 1.04 -1.26 -4.52 113.70 118.63 3n9i s SER 269 Ca 0.50 1.90 -0.19 0.00 0.48 0.00 0.00 55.95 58.64 3n9i s SER 269 Cb -0.37 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.21 3n9i s SER 269 CO 0.47 -2.36 1.75 0.40 0.98 0.00 0.00 173.24 174.47 3n9i h ILE 270 N -1.36 0.93 -0.80 -1.02 1.08 -1.94 -2.19 117.51 112.22 3n9i h ILE 270 Ca -0.44 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 3n9i h ILE 270 Cb 1.24 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 3n9i h ILE 270 CO 0.49 0.03 0.52 -0.65 -0.69 0.00 0.00 178.15 177.85 3n9i h PRO 271 N 0.18 0.86 -0.98 2.37 0.11 -2.00 -0.02 132.00 132.52 3n9i h PRO 271 Ca 0.10 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.20 3n9i h PRO 271 Cb 0.08 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 30.94 3n9i h PRO 271 CO -0.11 0.57 0.64 1.49 -0.21 0.00 0.00 178.00 180.37 3n9i h GLU 272 N 0.88 1.21 -0.19 1.05 4.81 -1.82 -2.20 114.58 118.32 3n9i h GLU 272 Ca 0.34 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 3n9i h GLU 272 Cb 0.20 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3n9i h GLU 272 CO -0.12 0.80 -0.62 -0.07 -0.73 0.00 0.00 179.01 178.28 3n9i h LEU 273 N 1.25 0.76 -0.56 1.64 3.38 -0.56 -1.94 115.31 119.28 3n9i h LEU 273 Ca 0.39 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3n9i h LEU 273 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3n9i h LEU 273 CO -0.12 1.19 0.35 -0.33 0.09 0.00 0.00 178.44 179.62 3n9i h GLU 274 N 0.50 0.67 -0.50 1.13 5.08 -0.77 -1.18 114.58 119.51 3n9i h GLU 274 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3n9i h GLU 274 Cb 1.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3n9i h GLU 274 CO 0.12 0.44 0.20 0.00 -1.00 0.00 0.00 179.01 178.78 3n9i h ALA 275 N 1.24 0.64 -0.86 3.43 0.00 -1.32 -2.97 119.26 119.42 3n9i h ALA 275 Ca 0.22 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3n9i h ALA 275 Cb -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.51 3n9i h ALA 275 CO -0.08 0.25 0.48 0.37 0.00 0.00 0.00 179.25 180.26 3n9i h GLN 276 N 0.66 0.72 -0.59 0.00 4.15 -0.97 -2.61 115.11 116.48 3n9i h GLN 276 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3n9i h GLN 276 Cb 0.19 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3n9i h GLN 276 CO -0.01 0.48 0.00 1.19 -1.93 0.00 0.00 178.83 178.55 3n9i n PHE 277 N -4.78 0.93 -1.63 3.99 3.72 -0.48 -4.94 117.46 114.27 3n9i n PHE 277 Ca 0.16 -0.38 -0.49 0.00 -0.05 0.00 0.00 57.45 56.70 3n9i n PHE 277 Cb 0.36 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3n9i n PHE 277 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3n9i n THR 278 N 0.66 0.02 -0.81 4.37 -1.04 -0.99 -1.12 114.28 115.37 3n9i n THR 278 Ca 0.16 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3n9i n THR 278 Cb 0.59 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3n9i n THR 278 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3n9i n GLY 279 N 2.99 1.10 3.93 3.41 0.00 -1.26 -5.01 105.19 110.35 3n9i n GLY 279 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3n9i n GLY 279 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n9i s GLN 280 N -0.11 3.50 0.41 1.61 -1.52 -0.28 -5.09 119.66 118.17 3n9i s GLN 280 Ca 0.00 -0.17 -0.04 0.00 -1.95 0.00 0.00 55.36 53.21 3n9i s GLN 280 Cb 0.00 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 3n9i s GLN 280 CO 0.00 0.04 0.68 -1.64 -0.25 0.00 0.00 175.29 174.11 3n9i s MET 281 N -4.45 3.55 0.31 2.91 -1.94 -1.26 -4.75 119.30 113.66 3n9i s MET 281 Ca 0.42 0.01 0.01 0.00 -1.71 0.00 0.00 55.69 54.43 3n9i s MET 281 Cb -0.10 -2.51 0.55 0.00 2.01 0.00 0.00 34.83 34.79 3n9i s MET 281 CO 0.39 -0.02 1.92 1.88 -0.01 0.00 0.00 175.02 179.18 3n9i h TYR 282 N 0.64 1.01 -0.95 -0.03 0.05 -1.98 0.06 116.97 115.78 3n9i h TYR 282 Ca -0.48 0.03 0.18 0.00 0.05 0.00 0.00 58.73 58.50 3n9i h TYR 282 Cb 1.21 -0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.53 3n9i h TYR 282 CO 0.56 0.54 0.60 0.78 -1.05 0.00 0.00 178.16 179.59 3n9i h GLY 283 N 1.00 1.32 0.82 3.88 0.00 -1.96 0.21 103.07 108.33 3n9i h GLY 283 Ca 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3n9i h GLY 283 CO -0.13 0.01 0.00 0.84 0.00 0.00 0.00 176.54 177.26 3n9i h HIS 284 N 0.64 0.37 -0.36 5.60 -0.00 -1.37 -1.64 115.15 118.39 3n9i h HIS 284 Ca 0.50 -0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.83 3n9i h HIS 284 Cb 0.92 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.20 3n9i h HIS 284 CO -0.00 0.54 0.19 1.25 -0.00 0.00 0.00 177.93 179.91 3n9i h LEU 285 N 0.10 0.29 -0.67 0.26 5.85 -0.90 -0.92 115.31 119.32 3n9i h LEU 285 Ca 0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3n9i h LEU 285 Cb 0.39 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3n9i h LEU 285 CO 0.01 0.21 0.21 0.11 -0.34 0.00 0.00 178.44 178.64 3n9i h LYS 286 N 0.39 1.04 -0.81 1.25 1.57 -0.61 0.03 116.57 119.43 3n9i h LYS 286 Ca 0.15 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3n9i h LYS 286 Cb 0.05 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3n9i h LYS 286 CO -0.10 0.91 0.35 0.78 -0.57 0.00 0.00 179.45 180.82 3n9i h GLY 287 N 0.98 1.29 0.89 3.86 0.00 -1.10 -0.05 103.07 108.93 3n9i h GLY 287 Ca 0.22 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3n9i h GLY 287 CO -0.01 0.65 0.03 0.00 0.00 0.00 0.00 176.54 177.21 3n9i h ALA 288 N 1.20 0.40 -0.69 3.60 0.00 -0.56 -1.36 119.26 121.85 3n9i h ALA 288 Ca 0.27 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3n9i h ALA 288 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3n9i h ALA 288 CO -0.03 0.12 0.46 0.28 0.00 0.00 0.00 179.25 180.08 3n9i h VAL 289 N 0.32 1.18 -0.40 0.00 2.07 -0.80 -2.00 116.25 116.61 3n9i h VAL 289 Ca 0.09 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3n9i h VAL 289 Cb 0.39 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3n9i h VAL 289 CO 0.01 0.17 0.21 0.00 0.02 0.00 0.00 177.57 177.98 3n9i h ALA 290 N 1.25 0.52 -0.49 1.67 0.00 -0.86 -0.74 119.26 120.61 3n9i h ALA 290 Ca 0.25 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3n9i h ALA 290 Cb -0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3n9i h ALA 290 CO -0.05 0.05 0.19 -0.44 0.00 0.00 0.00 179.25 179.00 3n9i h ASP 291 N 0.52 0.22 -0.16 0.00 3.32 -1.12 -0.54 116.42 118.65 3n9i h ASP 291 Ca 0.14 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3n9i h ASP 291 Cb 0.08 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3n9i h ASP 291 CO -0.02 0.16 -0.19 0.00 -1.72 0.00 0.00 179.24 177.47 3n9i h ALA 292 N 1.31 0.24 -0.19 3.45 0.00 -1.10 -1.23 119.26 121.74 3n9i h ALA 292 Ca 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3n9i h ALA 292 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3n9i h ALA 292 CO -0.22 0.16 -0.01 0.28 0.00 0.00 0.00 179.25 179.47 3n9i h VAL 293 N 0.05 1.26 -0.61 0.00 2.07 -1.13 -1.96 116.25 115.93 3n9i h VAL 293 Ca 0.02 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.74 3n9i h VAL 293 Cb 0.74 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 3n9i h VAL 293 CO 0.05 0.27 0.24 -1.28 0.02 0.00 0.00 177.57 176.87 3n9i h SER 294 N 0.09 0.26 -0.37 0.57 0.87 -1.11 0.18 113.55 114.04 3n9i h SER 294 Ca 0.05 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3n9i h SER 294 Cb 0.41 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3n9i h SER 294 CO 0.01 0.16 0.24 1.23 -0.53 0.00 0.00 176.83 177.94 3n9i h GLY 295 N 0.43 0.53 0.81 5.77 0.00 -1.15 0.20 103.07 109.66 3n9i h GLY 295 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3n9i h GLY 295 CO -0.29 0.20 0.02 1.98 0.00 0.00 0.00 176.54 178.45 3n9i h MET 296 N 0.50 0.11 -0.14 4.80 -1.53 -0.84 -2.60 114.93 115.23 3n9i h MET 296 Ca 0.13 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.28 3n9i h MET 296 Cb -0.04 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 30.98 3n9i h MET 296 CO -0.03 0.29 -0.32 -0.07 0.14 0.00 0.00 176.91 176.93 3n9i h LEU 297 N -0.09 0.29 -0.59 3.39 3.38 -0.62 -1.57 115.31 119.50 3n9i h LEU 297 Ca 0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3n9i h LEU 297 Cb 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3n9i h LEU 297 CO -0.00 0.60 0.29 0.28 0.09 0.00 0.00 178.44 179.70 3n9i h SER 298 N 0.25 0.76 -0.21 -0.43 0.02 -0.90 0.13 113.55 113.18 3n9i h SER 298 Ca 0.03 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3n9i h SER 298 Cb 0.69 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3n9i h SER 298 CO 0.05 0.67 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.27 3n9i h GLU 299 N 0.80 0.41 -0.59 3.45 4.81 -1.38 -1.80 114.58 120.28 3n9i h GLU 299 Ca 0.20 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3n9i h GLU 299 Cb 0.11 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3n9i h GLU 299 CO -0.03 0.66 0.35 1.25 -0.73 0.00 0.00 179.01 180.52 3n9i h LEU 300 N 0.13 0.55 -1.12 1.64 6.46 -1.08 -1.94 115.31 119.95 3n9i h LEU 300 Ca 0.05 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 3n9i h LEU 300 Cb 0.52 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 3n9i h LEU 300 CO 0.02 0.38 -0.12 1.56 -0.62 0.00 0.00 178.44 179.66 3n9i h GLN 301 N 0.68 0.47 -0.22 1.25 4.20 -0.58 0.88 115.11 121.79 3n9i h GLN 301 Ca 0.25 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3n9i h GLN 301 Cb 0.07 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3n9i h GLN 301 CO -0.12 0.59 0.04 0.93 -0.67 0.00 0.00 178.83 179.60 3n9i h GLU 302 N 0.44 0.35 -0.52 1.46 5.08 -0.96 -0.97 114.58 119.46 3n9i h GLU 302 Ca 0.08 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3n9i h GLU 302 Cb 0.48 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3n9i h GLU 302 CO 0.03 0.49 0.25 0.00 -1.00 0.00 0.00 179.01 178.77 3n9i h ARG 303 N 0.16 0.75 -0.53 2.33 3.08 -1.07 -2.25 114.38 116.86 3n9i h ARG 303 Ca 0.07 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.07 3n9i h ARG 303 Cb 0.30 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 3n9i h ARG 303 CO 0.00 0.63 0.22 -0.92 -1.07 0.00 0.00 179.97 178.83 3n9i h TYR 304 N 0.70 0.39 -0.69 3.04 3.20 -0.64 -2.38 116.97 120.59 3n9i h TYR 304 Ca 0.18 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3n9i h TYR 304 Cb 0.13 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3n9i h TYR 304 CO -0.00 0.15 0.21 -0.09 -1.64 0.00 0.00 178.16 176.79 3n9i h ARG 305 N 0.42 1.07 -0.65 1.82 2.43 -0.94 0.16 114.38 118.68 3n9i h ARG 305 Ca 0.25 -0.23 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3n9i h ARG 305 Cb 0.24 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.54 3n9i h ARG 305 CO -0.23 0.92 0.15 1.15 -1.51 0.00 0.00 179.97 180.45 3n9i h THR 306 N 1.00 0.59 0.00 0.20 2.02 -0.99 -1.31 112.91 114.43 3n9i h THR 306 Ca 0.22 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 67.16 3n9i h THR 306 Cb 0.30 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3n9i h THR 306 CO -0.01 0.05 -0.58 1.88 0.37 0.00 0.00 175.52 177.23 3n9i h TYR 307 N 0.27 0.58 -0.05 3.16 0.05 -0.93 -3.30 116.97 116.74 3n9i h TYR 307 Ca 0.35 -0.32 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 3n9i h TYR 307 Cb 0.55 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3n9i h TYR 307 CO -0.25 1.14 -0.35 -0.09 -1.05 0.00 0.00 178.16 177.55 3n9i h ARG 308 N -0.14 0.09 -0.01 4.88 9.65 -0.46 -1.24 114.38 127.15 3n9i h ARG 308 Ca -0.07 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3n9i h ARG 308 Cb 1.30 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3n9i h ARG 308 CO 0.11 0.44 -0.02 0.39 2.80 0.00 0.00 179.97 183.70 3n9i n GLU 309 N -4.10 1.49 -3.41 0.20 1.02 -0.51 -4.61 120.64 110.72 3n9i n GLU 309 Ca -0.02 -0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 55.93 3n9i n GLU 309 Cb 0.41 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 3n9i n GLU 309 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3n9i n ASP 310 N -0.08 5.22 -0.37 1.62 -0.08 -0.47 -4.88 116.55 117.51 3n9i n ASP 310 Ca 0.19 -3.07 0.04 0.00 -1.51 0.00 0.00 54.79 50.44 3n9i n ASP 310 Cb 0.31 -1.30 0.20 0.00 2.34 0.00 0.00 41.12 42.67 3n9i n ASP 310 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3n9i h GLU 311 N 6.45 1.09 -0.52 -0.67 3.07 -1.81 -1.43 114.58 120.75 3n9i h GLU 311 Ca 0.18 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 3n9i h GLU 311 Cb 0.85 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 3n9i h GLU 311 CO 0.99 0.72 -0.04 0.00 -1.40 0.00 0.00 179.01 179.28 3n9i h ALA 312 N 1.48 0.70 -0.28 3.43 0.00 -1.95 -1.68 119.26 120.97 3n9i h ALA 312 Ca 0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3n9i h ALA 312 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3n9i h ALA 312 CO -0.20 0.56 0.13 1.25 0.00 0.00 0.00 179.25 180.99 3n9i h LEU 313 N 0.81 0.37 -0.38 0.00 5.85 -1.74 -0.70 115.31 119.51 3n9i h LEU 313 Ca 0.14 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3n9i h LEU 313 Cb 0.58 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3n9i h LEU 313 CO 0.03 0.39 0.10 -0.07 -0.34 0.00 0.00 178.44 178.55 3n9i h LEU 314 N 0.32 0.06 -0.33 2.25 3.38 -1.13 0.15 115.31 120.00 3n9i h LEU 314 Ca 0.10 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3n9i h LEU 314 Cb 0.12 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3n9i h LEU 314 CO -0.01 0.07 0.01 1.56 0.09 0.00 0.00 178.44 180.16 3n9i h GLN 315 N 0.23 0.10 -0.52 1.13 1.08 -1.18 0.59 115.11 116.54 3n9i h GLN 315 Ca 0.18 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 3n9i h GLN 315 Cb 0.19 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 3n9i h GLN 315 CO -0.22 0.07 0.30 -0.44 -0.95 0.00 0.00 178.83 177.59 3n9i h ASP 316 N 0.11 0.47 -0.29 1.46 3.32 -0.47 0.30 116.42 121.31 3n9i h ASP 316 Ca 0.16 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3n9i h ASP 316 Cb 0.21 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3n9i h ASP 316 CO -0.26 0.33 0.13 0.58 -1.72 0.00 0.00 179.24 178.30 3n9i h VAL 317 N 0.59 1.17 -0.57 -1.35 2.07 -0.42 -1.47 116.25 116.27 3n9i h VAL 317 Ca 0.21 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3n9i h VAL 317 Cb 0.05 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3n9i h VAL 317 CO -0.11 0.17 0.35 0.24 0.02 0.00 0.00 177.57 178.24 3n9i h MET 318 N 0.33 0.77 0.00 1.57 2.86 -0.62 -0.51 114.93 119.33 3n9i h MET 318 Ca 0.10 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3n9i h MET 318 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3n9i h MET 318 CO -0.01 0.55 -0.00 -0.09 1.06 0.00 0.00 176.91 178.41 3n9i h ARG 319 N 0.77 -0.00 -0.37 1.72 2.43 -0.78 -0.84 114.38 117.31 3n9i h ARG 319 Ca 0.21 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.23 3n9i h ARG 319 Cb -0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3n9i h ARG 319 CO -0.04 0.04 -0.36 0.93 -1.51 0.00 0.00 179.97 179.03 3n9i h GLU 320 N -0.05 0.87 -0.25 0.20 5.08 -1.20 -2.30 114.58 116.94 3n9i h GLU 320 Ca -0.00 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3n9i h GLU 320 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3n9i h GLU 320 CO 0.00 1.09 0.12 0.78 -1.00 0.00 0.00 179.01 180.00 3n9i h GLY 321 N 0.85 0.38 1.46 -3.84 0.00 -1.01 -1.15 103.07 99.75 3n9i h GLY 321 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3n9i h GLY 321 CO 0.09 0.18 0.01 0.00 0.00 0.00 0.00 176.54 176.81 3n9i h ALA 322 N 0.98 1.23 -0.30 3.60 0.00 -1.08 0.27 119.26 123.97 3n9i h ALA 322 Ca 0.09 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 3n9i h ALA 322 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3n9i h ALA 322 CO -0.01 0.51 -0.51 0.00 0.00 0.00 0.00 179.25 179.24 3n9i h ALA 323 N 1.37 0.46 -0.43 0.00 0.00 -1.25 0.84 119.26 120.27 3n9i h ALA 323 Ca 0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3n9i h ALA 323 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3n9i h ALA 323 CO 0.01 0.65 0.15 0.87 0.00 0.00 0.00 179.25 180.94 3n9i h LYS 324 N 0.66 0.65 -0.52 0.00 1.57 -0.93 -2.30 116.57 115.69 3n9i h LYS 324 Ca 0.02 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3n9i h LYS 324 Cb 1.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3n9i h LYS 324 CO 0.12 0.62 0.17 0.00 -0.57 0.00 0.00 179.45 179.78 3n9i h ALA 325 N 1.00 0.68 -0.63 3.86 0.00 -0.80 -2.99 119.26 120.37 3n9i h ALA 325 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3n9i h ALA 325 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3n9i h ALA 325 CO -0.01 0.34 0.05 0.00 0.00 0.00 0.00 179.25 179.63 3n9i h ARG 326 N 0.71 1.08 -0.98 0.00 3.08 -0.77 0.52 114.38 118.02 3n9i h ARG 326 Ca 0.17 -0.32 0.10 0.00 0.07 0.00 0.00 59.98 60.00 3n9i h ARG 326 Cb 0.27 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 3n9i h ARG 326 CO -0.01 1.02 0.62 0.00 -1.07 0.00 0.00 179.97 180.53 3n9i h ALA 327 N 1.04 1.43 0.05 0.04 0.00 -1.33 0.57 119.26 121.07 3n9i h ALA 327 Ca 0.19 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3n9i h ALA 327 Cb 0.50 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3n9i h ALA 327 CO 0.02 0.28 -0.51 0.00 0.00 0.00 0.00 179.25 179.04 3n9i h ARG 328 N 1.03 0.26 -0.94 0.00 3.08 -1.31 -3.32 114.38 113.18 3n9i h ARG 328 Ca 0.46 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3n9i h ARG 328 Cb 0.36 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 3n9i h ARG 328 CO -0.23 1.10 0.61 0.00 -1.07 0.00 0.00 179.97 180.37 3n9i h ALA 329 N 0.18 1.47 0.00 0.04 0.00 -0.66 -2.88 119.26 117.40 3n9i h ALA 329 Ca -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3n9i h ALA 329 Cb 1.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3n9i h ALA 329 CO 0.10 0.39 -0.34 0.37 0.00 0.00 0.00 179.25 179.77 3n9i h GLN 330 N 1.08 0.00 0.12 0.00 5.75 -0.98 -0.53 115.11 120.55 3n9i h GLN 330 Ca 0.40 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.90 3n9i h GLN 330 Cb 0.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3n9i h GLN 330 CO -0.15 0.34 -0.06 0.28 -2.65 0.00 0.00 178.83 176.59 3n9i h VAL 331 N 0.00 1.02 -0.41 2.39 2.07 -1.61 -0.89 116.25 118.83 3n9i h VAL 331 Ca -0.00 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3n9i h VAL 331 Cb 0.63 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3n9i h VAL 331 CO 0.04 0.14 0.15 0.74 0.02 0.00 0.00 177.57 178.66 3n9i h THR 332 N -0.42 1.20 -0.87 2.57 2.02 -1.48 -2.64 112.91 113.29 3n9i h THR 332 Ca -0.02 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3n9i h THR 332 Cb 0.34 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3n9i h THR 332 CO 0.03 0.23 0.53 0.25 0.37 0.00 0.00 175.52 176.92 3n9i h LEU 333 N 0.51 1.04 -0.79 2.58 5.85 -1.08 -1.26 115.31 122.16 3n9i h LEU 333 Ca 0.13 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3n9i h LEU 333 Cb 0.20 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3n9i h LEU 333 CO -0.01 0.80 0.51 0.00 -0.34 0.00 0.00 178.44 179.40 3n9i h ALA 334 N 1.29 1.01 -0.59 1.25 0.00 -1.03 -0.99 119.26 120.20 3n9i h ALA 334 Ca 0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3n9i h ALA 334 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3n9i h ALA 334 CO -0.06 0.37 -0.01 0.87 0.00 0.00 0.00 179.25 180.43 3n9i h LYS 335 N 1.03 1.03 0.14 0.00 1.57 -1.06 -1.04 116.57 118.23 3n9i h LYS 335 Ca 0.30 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3n9i h LYS 335 Cb -0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3n9i h LYS 335 CO -0.08 1.01 -0.07 0.28 -0.57 0.00 0.00 179.45 180.02 3n9i h VAL 336 N 0.94 0.93 -0.91 0.50 2.07 -0.91 -1.48 116.25 117.39 3n9i h VAL 336 Ca 0.17 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3n9i h VAL 336 Cb 0.55 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3n9i h VAL 336 CO 0.03 0.07 0.57 1.88 0.02 0.00 0.00 177.57 180.14 3n9i h TYR 337 N -0.31 1.05 -0.52 1.57 -1.99 -1.16 -0.63 116.97 114.99 3n9i h TYR 337 Ca -0.02 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 3n9i h TYR 337 Cb 0.25 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 3n9i h TYR 337 CO -0.03 0.54 0.19 1.49 -0.00 0.00 0.00 178.16 180.35 3n9i h GLU 338 N 1.03 0.79 -0.44 4.88 4.81 -1.08 -1.18 114.58 123.39 3n9i h GLU 338 Ca 0.39 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 3n9i h GLU 338 Cb 0.17 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3n9i h GLU 338 CO -0.17 0.71 -0.06 0.00 -0.73 0.00 0.00 179.01 178.76 3n9i h ALA 339 N 1.04 0.61 -0.74 2.92 0.00 -0.90 -2.85 119.26 119.34 3n9i h ALA 339 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3n9i h ALA 339 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3n9i h ALA 339 CO -0.01 0.45 0.38 0.82 0.00 0.00 0.00 179.25 180.89 3n9i h ILE 340 N 0.66 1.23 0.00 0.00 2.04 -0.99 -3.47 117.51 116.97 3n9i h ILE 340 Ca 0.12 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3n9i h ILE 340 Cb 0.58 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3n9i h ILE 340 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.05 3n9i n GLY 341 N -1.14 1.58 3.78 5.37 0.00 -0.54 -5.10 105.19 109.14 3n9i n GLY 341 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3n9i n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n9i s PHE 342 N -2.00 2.85 0.15 1.61 0.08 -0.62 -4.97 117.98 115.07 3n9i s PHE 342 Ca 0.00 1.56 -0.31 0.00 0.12 0.00 0.00 56.93 58.30 3n9i s PHE 342 Cb 0.00 -3.24 -0.11 0.00 -0.57 0.00 0.00 43.02 39.10 3n9i s PHE 342 CO 0.00 -1.29 1.81 0.08 -0.10 0.00 0.00 175.22 175.72 3n9i s VAL 343 N -1.76 2.37 0.64 -0.44 1.01 -1.26 -4.62 120.40 116.34 3n9i s VAL 343 Ca 0.68 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 3n9i s VAL 343 Cb -0.23 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3n9i s VAL 343 CO 0.27 0.00 1.08 0.00 0.00 0.00 0.00 175.10 176.45 3n9i n ALA 344 N 5.27 0.47 -1.67 5.51 0.00 -1.26 -4.88 120.51 123.95 3n9i n ALA 344 Ca 0.17 -0.03 -0.49 0.00 0.00 0.00 0.00 53.44 53.10 3n9i n ALA 344 Cb 0.37 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 3n9i n ALA 344 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3n9i n GLN 345 N -1.49 1.95 0.00 0.00 -0.06 -1.26 -5.20 117.38 111.32 3n9i n GLN 345 Ca 0.15 0.71 0.16 0.00 -2.00 0.00 0.00 57.00 56.02 3n9i n GLN 345 Cb 0.48 -2.49 0.93 0.00 -4.06 0.00 0.00 30.24 25.10 3n9i n GLN 345 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51