#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 4.04 -0.19 1.97 0.04 -1.26 -4.56 135.00 135.03 3n9i s PRO 16 Ca 0.00 2.14 -0.18 0.00 0.04 0.00 0.00 61.00 63.00 3n9i s PRO 16 Cb 0.00 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 3n9i s PRO 16 CO 0.00 -0.43 0.52 0.42 0.04 0.00 0.00 177.00 177.54 3n9i s ILE 17 N -1.25 5.11 -0.14 0.56 1.01 -1.26 -1.00 121.20 124.23 3n9i s ILE 17 Ca 0.56 0.95 0.02 0.00 0.00 0.00 0.00 60.65 62.17 3n9i s ILE 17 Cb -0.38 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3n9i s ILE 17 CO 0.49 0.19 -0.19 -0.69 0.00 0.00 0.00 174.94 174.74 3n9i s VAL 18 N 1.57 2.42 -0.16 2.92 1.01 -0.21 -0.62 120.40 127.33 3n9i s VAL 18 Ca 0.24 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3n9i s VAL 18 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3n9i s VAL 18 CO 0.10 0.53 -0.17 0.12 0.00 0.00 0.00 175.10 175.68 3n9i s PHE 19 N 0.66 2.76 -0.05 5.22 2.19 -0.76 -0.74 117.98 127.26 3n9i s PHE 19 Ca -0.09 -1.28 0.03 0.00 0.33 0.00 0.00 56.93 55.92 3n9i s PHE 19 Cb -0.16 -1.90 0.01 0.00 -1.31 0.00 0.00 43.02 39.66 3n9i s PHE 19 CO 0.02 -0.61 -0.13 0.45 1.83 0.00 0.00 175.22 176.78 3n9i s SER 20 N 1.00 1.84 -0.18 6.13 0.15 0.03 -4.14 113.70 118.52 3n9i s SER 20 Ca -0.02 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 3n9i s SER 20 Cb -0.15 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 3n9i s SER 20 CO -0.04 0.07 0.05 -0.83 1.20 0.00 0.00 173.24 173.70 3n9i s GLY 21 N 0.42 1.88 -0.17 9.45 0.00 -1.26 -1.18 107.32 116.47 3n9i s GLY 21 Ca -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 3n9i s GLY 21 CO 0.03 0.07 -0.11 0.00 0.00 0.00 0.00 173.10 173.09 3n9i s ALA 22 N 0.43 2.66 0.33 3.20 0.00 0.13 -4.94 121.76 123.56 3n9i s ALA 22 Ca 0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 3n9i s ALA 22 Cb -0.13 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 3n9i s ALA 22 CO 0.01 -0.05 1.29 -0.65 0.00 0.00 0.00 175.76 176.37 3n9i s GLN 23 N 0.83 4.36 -0.80 0.00 -1.52 -1.26 -0.68 119.66 120.59 3n9i s GLN 23 Ca -0.03 2.19 -0.25 0.00 -1.95 0.00 0.00 55.36 55.31 3n9i s GLN 23 Cb -0.15 -3.06 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 3n9i s GLN 23 CO 0.01 -0.18 1.93 -1.25 -0.25 0.00 0.00 175.29 175.55 3n9i s PRO 24 N -1.80 2.56 0.00 2.91 0.04 -1.26 -4.61 135.00 132.84 3n9i s PRO 24 Ca 0.49 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.58 3n9i s PRO 24 Cb -0.39 -4.82 0.00 0.00 0.04 0.00 0.00 34.50 29.33 3n9i s PRO 24 CO 0.52 -3.17 0.00 -1.13 0.04 0.00 0.00 177.00 173.26 3n9i n SER 25 N 13.65 2.53 0.00 6.66 3.41 -1.25 -4.63 113.62 133.99 3n9i n SER 25 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3n9i n SER 25 Cb 0.49 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3n9i n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n9i n GLY 26 N 2.10 1.65 3.36 5.00 0.00 -1.26 -4.87 105.19 111.18 3n9i n GLY 26 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.06 3.48 -0.03 1.61 2.02 -1.26 -4.74 118.70 119.71 3n9i s GLU 27 Ca 0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.40 3n9i s GLU 27 Cb 0.00 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.19 3n9i s GLU 27 CO 0.00 -0.14 0.06 -0.51 0.02 0.00 0.00 175.26 174.68 3n9i s LEU 28 N 1.38 1.09 0.62 1.80 1.02 -1.26 -5.05 118.68 118.28 3n9i s LEU 28 Ca 0.05 0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.19 3n9i s LEU 28 Cb -0.14 0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.08 3n9i s LEU 28 CO -0.01 -0.12 1.03 0.42 0.02 0.00 0.00 176.35 177.69 3n9i s THR 29 N 0.97 4.69 0.43 5.49 -4.23 -1.26 -0.31 115.64 121.42 3n9i s THR 29 Ca -0.08 0.86 0.18 0.00 -1.18 0.00 0.00 61.69 61.47 3n9i s THR 29 Cb -0.11 -3.86 0.20 0.00 1.34 0.00 0.00 72.50 70.07 3n9i s THR 29 CO -0.03 -1.13 1.99 -0.29 -0.54 0.00 0.00 174.62 174.61 3n9i h ILE 30 N -0.32 0.99 -0.49 2.99 2.10 -1.48 -1.74 117.51 119.57 3n9i h ILE 30 Ca -0.44 -0.69 -0.11 0.00 1.08 0.00 0.00 64.86 64.70 3n9i h ILE 30 Cb 1.19 1.39 -0.02 0.00 -1.09 0.00 0.00 36.82 38.30 3n9i h ILE 30 CO 0.62 0.19 -0.11 1.23 -1.08 0.00 0.00 178.15 179.00 3n9i h GLY 31 N 0.71 1.01 0.88 8.18 0.00 -1.90 0.97 103.07 112.93 3n9i h GLY 31 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3n9i h GLY 31 CO 0.02 0.76 0.05 3.43 0.00 0.00 0.00 176.54 180.81 3n9i h ASN 32 N 0.79 0.17 0.89 0.19 4.21 -1.74 -0.39 115.58 119.69 3n9i h ASN 32 Ca 0.12 -0.16 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 3n9i h ASN 32 Cb 0.67 -0.04 0.01 0.00 -1.12 0.00 0.00 38.32 37.83 3n9i h ASN 32 CO 0.05 0.28 -0.43 0.22 -1.29 0.00 0.00 177.43 176.25 3n9i h TYR 33 N 0.05 -1.12 0.00 1.19 3.20 -1.24 -1.35 116.97 117.69 3n9i h TYR 33 Ca 0.04 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3n9i h TYR 33 Cb 0.16 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3n9i h TYR 33 CO -0.02 -0.69 -0.24 0.52 -1.64 0.00 0.00 178.16 176.09 3n9i h MET 34 N -1.20 0.00 0.00 1.82 2.86 -0.86 0.20 114.93 117.76 3n9i h MET 34 Ca -0.12 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.35 3n9i h MET 34 Cb 0.92 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 3n9i h MET 34 CO 0.19 0.24 -0.92 0.78 1.06 0.00 0.00 176.91 178.25 3n9i h GLY 35 N 2.28 0.00 0.00 8.32 0.00 -1.05 -2.25 103.07 110.37 3n9i h GLY 35 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n9i h GLY 35 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 3n9i n ALA 36 N -2.33 1.68 -0.34 3.60 0.00 -0.54 -3.31 120.51 119.28 3n9i n ALA 36 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3n9i n ALA 36 Cb 0.86 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.62 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 0.68 -1.38 0.00 5.85 -1.33 0.35 115.31 119.49 3n9i h LEU 37 Ca 0.00 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3n9i h LEU 37 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3n9i h LEU 37 CO 0.00 0.22 0.03 -0.09 -0.34 0.00 0.00 178.44 178.26 3n9i h ARG 38 N 0.68 0.45 -0.17 1.25 2.43 -0.84 -0.16 114.38 118.02 3n9i h ARG 38 Ca 0.57 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.57 3n9i h ARG 38 Cb 0.92 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3n9i h ARG 38 CO -0.41 0.45 -0.25 1.96 -1.51 0.00 0.00 179.97 180.21 3n9i h GLN 39 N 0.44 0.46 -0.89 0.20 1.08 -0.55 -3.25 115.11 112.60 3n9i h GLN 39 Ca 0.10 -0.28 0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3n9i h GLN 39 Cb 0.24 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 3n9i h GLN 39 CO 0.00 0.87 0.59 -1.49 -0.95 0.00 0.00 178.83 177.84 3n9i h TRP 40 N 0.10 1.10 -0.85 2.96 6.55 -0.65 -0.29 115.95 124.86 3n9i h TRP 40 Ca 0.02 0.03 0.18 0.00 0.95 0.00 0.00 58.89 60.06 3n9i h TRP 40 Cb 0.82 -0.37 -0.06 0.00 -0.86 0.00 0.00 29.16 28.69 3n9i h TRP 40 CO 0.09 0.67 0.57 0.28 -1.05 0.00 0.00 178.44 178.99 3n9i h VAL 41 N 1.17 0.73 -0.00 1.49 2.07 -1.08 -0.23 116.25 120.40 3n9i h VAL 41 Ca 0.34 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.71 3n9i h VAL 41 Cb -0.07 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3n9i h VAL 41 CO -0.09 0.08 -0.01 0.00 0.02 0.00 0.00 177.57 177.57 3n9i n GLN 42 N -4.50 0.86 -0.29 1.57 1.13 -0.13 -3.80 117.38 112.21 3n9i n GLN 42 Ca 0.18 -0.05 0.07 0.00 -1.94 0.00 0.00 57.00 55.25 3n9i n GLN 42 Cb 0.63 -1.50 0.22 0.00 0.11 0.00 0.00 30.24 29.70 3n9i n GLN 42 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3n9i n MET 43 N -1.02 2.97 0.14 -1.09 2.81 -0.10 -4.63 117.12 116.20 3n9i n MET 43 Ca 0.21 -2.35 0.13 0.00 -1.81 0.00 0.00 57.70 53.87 3n9i n MET 43 Cb 0.16 -1.47 0.47 0.00 -0.71 0.00 0.00 33.22 31.67 3n9i n MET 43 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3n9i h GLN 44 N 2.53 0.00 0.01 0.03 4.20 -1.66 -1.52 115.11 118.70 3n9i h GLN 44 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 3n9i h GLN 44 Cb 0.96 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.69 3n9i h GLN 44 CO 0.06 0.00 -1.69 -0.44 -0.67 0.00 0.00 178.83 176.09 3n9i h ASP 45 N 0.00 0.03 1.06 1.46 3.32 -1.90 -3.39 116.42 117.00 3n9i h ASP 45 Ca 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3n9i h ASP 45 Cb 0.52 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3n9i h ASP 45 CO 0.00 1.06 -0.95 0.44 -1.72 0.00 0.00 179.24 178.07 3n9i h ASP 46 N 0.01 0.00 -3.54 6.45 3.32 -1.82 -3.47 116.42 117.36 3n9i h ASP 46 Ca -0.28 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.32 3n9i h ASP 46 Cb 2.01 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 41.39 3n9i h ASP 46 CO 0.08 0.10 -0.75 -0.31 -1.72 0.00 0.00 179.24 176.64 3n9i s TYR 47 N -3.27 1.64 -0.78 4.55 2.02 -0.60 -4.40 117.35 116.51 3n9i s TYR 47 Ca -0.00 -0.55 -0.15 0.00 -0.37 0.00 0.00 57.07 56.00 3n9i s TYR 47 Cb 0.09 -0.80 0.19 0.00 -0.40 0.00 0.00 41.96 41.04 3n9i s TYR 47 CO 0.78 0.28 0.76 0.34 -1.57 0.00 0.00 175.55 176.14 3n9i s ASP 48 N -2.93 6.64 -0.11 2.29 2.15 -0.17 -4.61 116.67 119.92 3n9i s ASP 48 Ca 0.17 -2.43 -0.14 0.00 0.43 0.00 0.00 52.55 50.57 3n9i s ASP 48 Cb -0.03 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.31 3n9i s ASP 48 CO 0.05 -0.69 0.35 0.00 -0.17 0.00 0.00 175.17 174.71 3n9i s ILE 50 N 0.00 1.36 -0.21 0.00 1.01 0.08 -0.94 121.20 122.50 3n9i s ILE 50 Ca 0.20 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3n9i s ILE 50 Cb -0.14 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.05 3n9i s ILE 50 CO 0.07 0.42 -0.12 -0.31 0.00 0.00 0.00 174.94 175.00 3n9i s TYR 51 N 1.38 2.91 -0.16 3.97 2.02 0.78 -0.79 117.35 127.46 3n9i s TYR 51 Ca 0.01 -1.46 0.02 0.00 -0.37 0.00 0.00 57.07 55.27 3n9i s TYR 51 Cb -0.13 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 3n9i s TYR 51 CO -0.07 -0.72 -0.21 0.00 -1.57 0.00 0.00 175.55 172.98 3n9i s ILE 53 N 1.06 4.43 -1.39 0.00 1.01 0.16 0.18 121.20 126.65 3n9i s ILE 53 Ca -0.01 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 3n9i s ILE 53 Cb -0.14 -4.50 0.09 0.00 0.01 0.00 0.00 42.46 37.92 3n9i s ILE 53 CO -0.08 -1.01 2.16 1.33 0.00 0.00 0.00 174.94 177.35 3n9i n VAL 54 N 6.25 4.06 0.20 2.92 0.24 0.14 -1.18 118.33 130.96 3n9i n VAL 54 Ca 0.03 -3.66 0.04 0.00 -2.04 0.00 0.00 64.34 58.71 3n9i n VAL 54 Cb 0.48 -2.46 0.46 0.00 -1.47 0.00 0.00 33.84 30.84 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 5.68 0.03 -0.05 -1.34 2.03 -1.93 -2.30 116.42 118.54 3n9i h ASP 55 Ca 0.54 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.74 3n9i h ASP 55 Cb 0.57 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 3n9i h ASP 55 CO 1.74 0.25 -0.24 -0.07 -1.03 0.00 0.00 179.24 179.88 3n9i h LEU 56 N 0.03 0.48 -0.67 0.15 3.38 -1.94 -2.65 115.31 114.10 3n9i h LEU 56 Ca 0.01 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3n9i h LEU 56 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3n9i h LEU 56 CO 0.03 0.72 -0.55 0.45 0.09 0.00 0.00 178.44 179.18 3n9i h HIS 57 N 0.42 0.43 -0.70 1.13 3.86 -1.82 -3.31 115.15 115.16 3n9i h HIS 57 Ca 0.06 -0.15 0.13 0.00 -1.16 0.00 0.00 60.37 59.25 3n9i h HIS 57 Cb 0.66 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 3n9i h HIS 57 CO 0.02 0.81 0.46 0.00 0.86 0.00 0.00 177.93 180.09 3n9i h ALA 58 N 1.16 2.06 -0.04 2.45 0.00 -1.08 -2.70 119.26 121.10 3n9i h ALA 58 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n9i h ALA 58 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3n9i h ALA 58 CO 0.09 -0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.55 3n9i n ILE 59 N -4.47 0.05 0.39 0.00 -5.35 -1.23 -2.41 119.36 106.34 3n9i n ILE 59 Ca 0.12 -0.08 0.10 0.00 -0.27 0.00 0.00 62.75 62.62 3n9i n ILE 59 Cb 0.46 -0.12 0.44 0.00 -1.74 0.00 0.00 39.64 38.67 3n9i n ILE 59 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3n9i n THR 60 N -0.51 0.92 -4.35 7.28 -2.24 -1.02 -4.50 114.28 109.86 3n9i n THR 60 Ca 0.14 0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.92 3n9i n THR 60 Cb 0.13 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 67.07 3n9i n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n9i s ALA 61 N -3.25 2.66 0.12 6.98 0.00 -1.01 -4.59 121.76 122.66 3n9i s ALA 61 Ca 0.04 -1.49 -0.31 0.00 0.00 0.00 0.00 51.96 50.20 3n9i s ALA 61 Cb 0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.59 3n9i s ALA 61 CO 0.33 0.50 1.49 1.03 0.00 0.00 0.00 175.76 179.12 3n9i s ARG 62 N -2.47 4.26 0.09 0.00 1.81 -1.26 -4.98 118.95 116.39 3n9i s ARG 62 Ca 0.20 2.21 0.07 0.00 -1.72 0.00 0.00 55.73 56.49 3n9i s ARG 62 Cb -0.09 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 3n9i s ARG 62 CO 0.11 -0.55 -0.15 -0.65 -0.68 0.00 0.00 175.30 173.38 3n9i s GLN 63 N 1.45 2.02 0.01 3.54 -1.52 -1.26 -5.07 119.66 118.83 3n9i s GLN 63 Ca 0.68 -1.05 -0.30 0.00 -1.95 0.00 0.00 55.36 52.74 3n9i s GLN 63 Cb -0.39 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.12 3n9i s GLN 63 CO 0.31 0.51 1.31 0.34 -0.25 0.00 0.00 175.29 177.50 3n9i s ASP 64 N -1.93 6.95 0.23 5.90 -1.08 -1.26 -4.94 116.67 120.54 3n9i s ASP 64 Ca 0.18 2.03 -0.07 0.00 -0.52 0.00 0.00 52.55 54.17 3n9i s ASP 64 Cb -0.11 -2.57 0.22 0.00 -1.46 0.00 0.00 42.92 39.01 3n9i s ASP 64 CO 0.10 -0.63 1.89 -0.65 0.52 0.00 0.00 175.17 176.40 3n9i h PRO 65 N 7.42 1.23 -0.47 4.34 0.11 -2.00 -0.62 132.00 142.02 3n9i h PRO 65 Ca -0.38 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3n9i h PRO 65 Cb 1.18 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3n9i h PRO 65 CO 0.87 0.85 0.03 0.00 -0.21 0.00 0.00 178.00 179.55 3n9i h ALA 66 N 1.31 0.62 -0.47 -0.75 0.00 -2.00 -2.67 119.26 115.30 3n9i h ALA 66 Ca 0.33 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3n9i h ALA 66 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3n9i h ALA 66 CO -0.07 0.39 0.05 -0.07 0.00 0.00 0.00 179.25 179.56 3n9i h LEU 67 N 0.66 0.70 -0.29 0.00 3.38 -1.85 -1.59 115.31 116.31 3n9i h LEU 67 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3n9i h LEU 67 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3n9i h LEU 67 CO 0.02 0.74 0.06 0.25 0.09 0.00 0.00 178.44 179.60 3n9i h LEU 68 N 0.71 0.45 -0.12 1.67 5.85 -0.92 0.18 115.31 123.14 3n9i h LEU 68 Ca 0.15 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3n9i h LEU 68 Cb 0.36 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3n9i h LEU 68 CO 0.01 0.58 0.07 -0.09 -0.34 0.00 0.00 178.44 178.67 3n9i h ARG 69 N 0.31 0.17 -0.17 1.25 2.43 -1.38 -1.64 114.38 115.35 3n9i h ARG 69 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3n9i h ARG 69 Cb 0.31 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3n9i h ARG 69 CO 0.00 0.16 0.07 -0.22 -1.51 0.00 0.00 179.97 178.48 3n9i h LYS 70 N 0.12 0.16 0.00 0.20 3.64 -1.10 -2.59 116.57 117.00 3n9i h LYS 70 Ca 0.04 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3n9i h LYS 70 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3n9i h LYS 70 CO -0.01 0.10 -0.29 0.00 -2.27 0.00 0.00 179.45 176.99 3n9i h ARG 71 N 0.16 0.00 0.00 1.90 3.08 -0.52 0.43 114.38 119.43 3n9i h ARG 71 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3n9i h ARG 71 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3n9i h ARG 71 CO -0.06 0.29 -0.00 1.15 -1.07 0.00 0.00 179.97 180.28 3n9i h THR 72 N 0.00 1.07 -0.38 2.04 2.02 -0.93 -0.42 112.91 116.31 3n9i h THR 72 Ca -0.00 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 3n9i h THR 72 Cb 0.58 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3n9i h THR 72 CO 0.04 0.06 -0.09 -0.07 0.37 0.00 0.00 175.52 175.83 3n9i h LEU 73 N -0.10 0.63 -0.35 2.58 3.38 -1.11 -1.95 115.31 118.39 3n9i h LEU 73 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3n9i h LEU 73 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3n9i h LEU 73 CO 0.00 0.76 0.19 0.44 0.09 0.00 0.00 178.44 179.92 3n9i h ASP 74 N 0.60 0.44 -0.44 -0.43 3.32 -0.72 -1.02 116.42 118.18 3n9i h ASP 74 Ca 0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3n9i h ASP 74 Cb 0.51 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3n9i h ASP 74 CO 0.03 0.41 0.21 0.74 -1.72 0.00 0.00 179.24 178.91 3n9i h THR 75 N 0.44 1.18 -0.05 0.35 2.02 -0.86 -0.41 112.91 115.59 3n9i h THR 75 Ca 0.12 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3n9i h THR 75 Cb 0.07 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3n9i h THR 75 CO -0.02 0.20 0.03 0.25 0.37 0.00 0.00 175.52 176.35 3n9i h LEU 76 N 0.57 0.06 -1.34 2.58 5.85 -1.14 -0.65 115.31 121.23 3n9i h LEU 76 Ca 0.15 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3n9i h LEU 76 Cb 0.12 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3n9i h LEU 76 CO -0.02 0.09 0.45 0.00 -0.34 0.00 0.00 178.44 178.62 3n9i h ALA 77 N 0.97 1.52 -0.32 1.25 0.00 -1.03 -1.12 119.26 120.53 3n9i h ALA 77 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3n9i h ALA 77 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3n9i h ALA 77 CO -0.00 0.45 -0.06 1.25 0.00 0.00 0.00 179.25 180.89 3n9i h LEU 78 N 0.92 0.60 -0.76 0.00 5.85 -0.74 0.65 115.31 121.83 3n9i h LEU 78 Ca 0.25 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3n9i h LEU 78 Cb -0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3n9i h LEU 78 CO -0.05 0.81 0.25 1.88 -0.34 0.00 0.00 178.44 180.99 3n9i h TYR 79 N 0.37 1.21 -0.66 1.25 -1.99 -0.83 0.24 116.97 116.57 3n9i h TYR 79 Ca 0.08 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 3n9i h TYR 79 Cb 0.54 -0.35 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3n9i h TYR 79 CO 0.05 0.95 0.20 -0.07 -0.00 0.00 0.00 178.16 179.28 3n9i h LEU 80 N 1.13 0.97 -1.14 3.88 3.38 -1.09 -2.02 115.31 120.42 3n9i h LEU 80 Ca 0.25 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3n9i h LEU 80 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3n9i h LEU 80 CO -0.01 0.92 -0.24 0.00 0.09 0.00 0.00 178.44 179.20 3n9i h ALA 81 N 1.08 1.28 0.00 1.53 0.00 -0.20 -2.22 119.26 120.73 3n9i h ALA 81 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3n9i h ALA 81 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3n9i h ALA 81 CO -0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3n9i n GLY 83 N 0.30 1.21 3.71 0.00 0.00 -0.83 -4.94 105.19 104.63 3n9i n GLY 83 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.02 -0.29 -0.61 -1.09 -0.78 -4.96 121.20 114.49 3n9i s ILE 84 Ca 0.00 0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 58.99 3n9i s ILE 84 Cb 0.00 -3.41 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 3n9i s ILE 84 CO 0.00 0.03 0.06 -0.62 -1.23 0.00 0.00 174.94 173.18 3n9i s ASP 85 N 1.61 5.04 0.18 3.58 -1.08 -1.26 -4.49 116.67 120.25 3n9i s ASP 85 Ca 0.69 -0.78 0.20 0.00 -0.52 0.00 0.00 52.55 52.14 3n9i s ASP 85 Cb -0.40 -1.85 0.86 0.00 -1.46 0.00 0.00 42.92 40.07 3n9i s ASP 85 CO 0.31 -0.20 1.61 -0.81 0.52 0.00 0.00 175.17 176.60 3n9i n PRO 86 N 4.83 0.13 0.05 4.34 -0.04 -1.26 -0.07 135.00 142.98 3n9i n PRO 86 Ca -0.15 0.40 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 3n9i n PRO 86 Cb 0.47 -1.76 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.07 0.10 0.54 1.79 -2.02 -3.39 116.57 113.66 3n9i h LYS 87 Ca 0.00 -0.11 -0.35 0.00 -2.18 0.00 0.00 60.65 58.01 3n9i h LYS 87 Cb 0.29 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 3n9i h LYS 87 CO 0.00 0.95 -1.92 0.87 -1.08 0.00 0.00 179.45 178.27 3n9i h LYS 88 N 0.02 0.21 -5.61 3.15 1.57 -1.68 -3.48 116.57 110.76 3n9i h LYS 88 Ca -0.11 -0.37 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 3n9i h LYS 88 Cb 1.87 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 34.22 3n9i h LYS 88 CO 0.13 1.06 -0.47 -1.12 -0.57 0.00 0.00 179.45 178.48 3n9i s SER 89 N -6.85 4.29 -0.24 0.86 0.01 0.90 -4.72 113.70 107.95 3n9i s SER 89 Ca -0.18 -1.38 -0.04 0.00 1.31 0.00 0.00 55.95 55.67 3n9i s SER 89 Cb 0.07 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.42 3n9i s SER 89 CO 0.79 -0.78 -0.03 -0.89 0.41 0.00 0.00 173.24 172.74 3n9i s THR 90 N -2.76 3.29 -0.06 1.44 2.01 -0.12 -4.43 115.64 115.01 3n9i s THR 90 Ca 0.25 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3n9i s THR 90 Cb 0.02 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.96 3n9i s THR 90 CO 0.14 0.30 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.71 3n9i s ILE 91 N 1.43 1.35 0.22 1.82 2.07 -1.26 -0.15 121.20 126.68 3n9i s ILE 91 Ca 0.04 -0.63 -0.21 0.00 -1.41 0.00 0.00 60.65 58.43 3n9i s ILE 91 Cb -0.15 -1.19 0.04 0.00 0.13 0.00 0.00 42.46 41.29 3n9i s ILE 91 CO -0.03 0.40 0.64 0.72 -1.91 0.00 0.00 174.94 174.76 3n9i s PHE 92 N 0.38 -0.33 -0.15 3.50 -0.71 -0.67 -4.20 117.98 115.80 3n9i s PHE 92 Ca -0.11 -0.01 -0.16 0.00 -1.04 0.00 0.00 56.93 55.61 3n9i s PHE 92 Cb -0.14 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3n9i s PHE 92 CO 0.04 -1.03 0.41 0.08 -1.34 0.00 0.00 175.22 173.37 3n9i s VAL 93 N -3.84 5.23 0.20 -2.49 1.01 -1.26 -0.66 120.40 118.58 3n9i s VAL 93 Ca 0.07 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 3n9i s VAL 93 Cb -0.03 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.76 3n9i s VAL 93 CO -0.03 0.33 1.68 -0.61 0.00 0.00 0.00 175.10 176.47 3n9i h GLN 94 N 6.84 0.15 0.00 2.72 4.15 -1.50 -0.59 115.11 126.88 3n9i h GLN 94 Ca -0.40 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.01 3n9i h GLN 94 Cb 1.17 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3n9i h GLN 94 CO 0.75 0.10 0.00 -1.13 -1.93 0.00 0.00 178.83 176.62 3n9i n SER 95 N -5.22 0.66 0.00 -0.69 3.41 -1.26 -1.82 113.62 108.70 3n9i n SER 95 Ca 0.07 0.71 0.15 0.00 -0.26 0.00 0.00 58.87 59.54 3n9i n SER 95 Cb 0.31 -0.83 0.81 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.28 0.00 -3.87 7.33 8.25 -0.23 -4.54 115.22 119.88 3n9i n HIS 96 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 3n9i n HIS 96 Cb 0.16 -0.13 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.27 1.73 0.57 1.59 1.01 -0.76 -4.95 120.40 117.33 3n9i s VAL 97 Ca 0.37 -2.17 0.28 0.00 0.00 0.00 0.00 61.98 60.46 3n9i s VAL 97 Cb 0.20 -2.26 0.37 0.00 0.00 0.00 0.00 36.38 34.68 3n9i s VAL 97 CO 0.39 -0.69 2.03 -0.65 0.00 0.00 0.00 175.10 176.18 3n9i h PRO 98 N 7.53 0.00 0.00 2.72 0.11 -1.83 -2.55 132.00 137.98 3n9i h PRO 98 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3n9i h PRO 98 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3n9i h PRO 98 CO 0.52 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.15 3n9i h GLU 99 N 0.00 0.00 0.06 1.05 3.07 -1.94 -1.88 114.58 114.94 3n9i h GLU 99 Ca 0.15 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3n9i h GLU 99 Cb 0.75 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 3n9i h GLU 99 CO -0.00 0.08 -0.16 0.45 -1.40 0.00 0.00 179.01 177.98 3n9i h HIS 100 N 0.00 -0.42 -0.29 4.33 3.86 -1.78 0.86 115.15 121.71 3n9i h HIS 100 Ca -0.00 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 3n9i h HIS 100 Cb 0.18 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3n9i h HIS 100 CO 0.00 -0.24 -0.33 0.77 0.86 0.00 0.00 177.93 179.00 3n9i h SER 101 N -0.30 0.65 -0.24 2.45 0.02 -1.62 -0.95 113.55 113.57 3n9i h SER 101 Ca 0.03 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3n9i h SER 101 Cb 0.33 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3n9i h SER 101 CO -0.11 0.93 0.08 1.56 -1.14 0.00 0.00 176.83 178.15 3n9i h GLN 102 N 0.53 0.36 -0.24 3.45 4.20 -1.26 -2.55 115.11 119.61 3n9i h GLN 102 Ca 0.06 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3n9i h GLN 102 Cb 0.82 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3n9i h GLN 102 CO 0.07 0.44 -0.38 1.25 -0.67 0.00 0.00 178.83 179.54 3n9i h LEU 103 N 0.22 0.58 -0.51 1.46 5.85 -0.75 -2.82 115.31 119.34 3n9i h LEU 103 Ca 0.08 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3n9i h LEU 103 Cb 0.22 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3n9i h LEU 103 CO -0.00 0.91 0.22 -1.28 -0.34 0.00 0.00 178.44 177.94 3n9i h SER 104 N 0.46 0.27 -0.07 1.25 0.87 -1.10 -0.25 113.55 114.98 3n9i h SER 104 Ca 0.04 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3n9i h SER 104 Cb 0.87 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 3n9i h SER 104 CO 0.07 0.19 -0.05 -0.25 -0.53 0.00 0.00 176.83 176.26 3n9i h TRP 105 N 0.42 -0.13 -0.39 2.24 2.91 -1.36 -1.39 115.95 118.26 3n9i h TRP 105 Ca 0.24 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.29 3n9i h TRP 105 Cb 0.21 0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 3n9i h TRP 105 CO -0.13 -0.09 0.19 0.00 -1.03 0.00 0.00 178.44 177.38 3n9i h ALA 106 N 1.00 0.48 0.00 2.65 0.00 -1.21 -2.16 119.26 120.02 3n9i h ALA 106 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3n9i h ALA 106 Cb 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3n9i h ALA 106 CO -0.11 -0.17 -0.14 -0.07 0.00 0.00 0.00 179.25 178.75 3n9i h LEU 107 N 0.39 0.00 -1.24 0.00 3.38 -0.94 -1.59 115.31 115.32 3n9i h LEU 107 Ca 0.16 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.32 3n9i h LEU 107 Cb 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 3n9i h LEU 107 CO -0.11 0.14 0.61 0.78 0.09 0.00 0.00 178.44 179.95 3n9i h ASN 108 N 0.00 0.63 0.60 -0.43 -0.26 -0.56 -0.44 115.58 115.12 3n9i h ASN 108 Ca -0.00 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3n9i h ASN 108 Cb 0.33 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 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 -1.36 0.00 -5.06 0.00 4.01 -0.22 -5.00 117.16 109.54 3n9i n TYR 110 Ca 0.10 -0.97 -0.32 0.00 -0.16 0.00 0.00 57.90 56.55 3n9i n TYR 110 Cb 0.23 -0.14 -0.16 0.00 -0.31 0.00 0.00 39.34 38.96 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 -2.76 2.48 0.17 -0.72 2.01 -0.93 -4.87 115.64 111.02 3n9i s THR 111 Ca 0.30 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 3n9i s THR 111 Cb 0.26 -1.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 3n9i s THR 111 CO 0.03 0.55 0.94 -0.31 -0.69 0.00 0.00 174.62 175.14 3n9i s TYR 112 N 0.09 3.89 0.35 4.92 2.02 -1.26 -4.92 117.35 122.44 3n9i s TYR 112 Ca -0.09 1.84 0.12 0.00 -0.37 0.00 0.00 57.07 58.57 3n9i s TYR 112 Cb -0.15 -3.00 0.94 0.00 -0.40 0.00 0.00 41.96 39.34 3n9i s TYR 112 CO 0.06 0.33 1.77 0.35 -1.57 0.00 0.00 175.55 176.49 3n9i h PHE 113 N 4.89 0.86 0.00 2.71 3.57 -2.00 0.06 116.94 127.04 3n9i h PHE 113 Ca -0.44 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 3n9i h PHE 113 Cb 1.21 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3n9i h PHE 113 CO 0.63 0.12 -0.33 0.78 -2.23 0.00 0.00 178.31 177.29 3n9i h GLY 114 N 0.55 0.00 1.85 2.40 0.00 -1.98 -0.35 103.07 105.53 3n9i h GLY 114 Ca 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.81 3n9i h GLY 114 CO -0.36 0.00 -0.47 0.83 0.00 0.00 0.00 176.54 176.55 3n9i h GLU 115 N 0.00 0.17 0.21 4.80 5.08 -1.37 -2.51 114.58 120.96 3n9i h GLU 115 Ca -0.00 -0.09 -0.32 0.00 -1.00 0.00 0.00 59.36 57.95 3n9i h GLU 115 Cb 0.62 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.90 3n9i h GLU 115 CO 0.04 0.60 -1.50 -0.07 -1.00 0.00 0.00 179.01 177.08 3n9i h LEU 116 N 0.14 0.70 -1.42 1.33 3.38 -1.17 -3.34 115.31 114.93 3n9i h LEU 116 Ca 0.01 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.00 3n9i h LEU 116 Cb 0.88 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3n9i h LEU 116 CO 0.07 1.70 -0.26 0.77 0.09 0.00 0.00 178.44 180.81 3n9i h SER 117 N 0.05 0.00 0.30 -0.43 4.64 -1.07 -2.69 113.55 114.34 3n9i h SER 117 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3n9i h SER 117 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 3n9i h SER 117 CO 0.22 0.26 -0.13 0.54 -0.87 0.00 0.00 176.83 176.85 3n9i n ARG 118 N -3.75 0.80 -1.81 4.77 1.74 -0.95 -4.82 116.66 112.64 3n9i n ARG 118 Ca -0.01 -0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 56.31 3n9i n ARG 118 Cb 0.37 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3n9i n ARG 118 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3n9i s MET 119 N -2.43 4.16 0.16 5.56 -1.94 -1.02 -4.90 119.30 118.89 3n9i s MET 119 Ca 0.29 2.48 -0.20 0.00 -1.71 0.00 0.00 55.69 56.55 3n9i s MET 119 Cb 0.20 -3.53 0.06 0.00 2.01 0.00 0.00 34.83 33.57 3n9i s MET 119 CO 0.47 -0.78 1.64 1.15 -0.01 0.00 0.00 175.02 177.50 3n9i h THR 120 N 4.63 0.47 -0.99 2.05 2.02 -1.91 -1.83 112.91 117.35 3n9i h THR 120 Ca -0.44 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.82 3n9i h THR 120 Cb 1.21 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 3n9i h THR 120 CO 0.94 0.00 0.63 1.56 0.37 0.00 0.00 175.52 179.02 3n9i h GLN 121 N -0.14 1.06 -0.09 6.66 1.08 -1.90 0.90 115.11 122.68 3n9i h GLN 121 Ca 0.16 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3n9i h GLN 121 Cb 0.39 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3n9i h GLN 121 CO -0.41 0.70 0.03 0.35 -0.95 0.00 0.00 178.83 178.55 3n9i h PHE 122 N 1.09 0.15 -0.89 2.96 3.57 -1.71 0.22 116.94 122.33 3n9i h PHE 122 Ca 0.45 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.94 3n9i h PHE 122 Cb 0.28 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3n9i h PHE 122 CO -0.01 0.31 0.58 0.87 -2.23 0.00 0.00 178.31 177.83 3n9i h LYS 123 N -0.05 1.19 -0.08 1.11 1.57 -0.80 0.16 116.57 119.67 3n9i h LYS 123 Ca 0.03 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3n9i h LYS 123 Cb 0.23 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3n9i h LYS 123 CO -0.00 0.80 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.14 3n9i h ASP 124 N 1.22 0.23 -0.00 0.86 3.32 -0.68 -2.56 116.42 118.81 3n9i h ASP 124 Ca 0.33 -0.50 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3n9i h ASP 124 Cb -0.12 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3n9i h ASP 124 CO -0.07 0.68 -0.21 0.11 -1.72 0.00 0.00 179.24 178.03 3n9i h LYS 125 N -0.21 0.37 -0.86 3.56 1.57 -0.93 -2.54 116.57 117.53 3n9i h LYS 125 Ca 0.01 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3n9i h LYS 125 Cb 0.62 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 3n9i h LYS 125 CO 0.02 0.57 0.57 1.03 -0.57 0.00 0.00 179.45 181.07 3n9i h SER 126 N 0.34 0.92 0.37 0.86 0.87 -0.62 0.25 113.55 116.55 3n9i h SER 126 Ca 0.06 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 3n9i h SER 126 Cb 0.56 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3n9i h SER 126 CO 0.04 0.63 -0.59 0.00 -0.53 0.00 0.00 176.83 176.38 3n9i h ALA 127 N 1.50 0.88 0.00 6.23 0.00 -1.06 -3.04 119.26 123.78 3n9i h ALA 127 Ca 0.34 -0.53 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 3n9i h ALA 127 Cb 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3n9i h ALA 127 CO -0.10 0.72 -1.96 0.54 0.00 0.00 0.00 179.25 178.45 3n9i n ARG 128 N -3.88 0.66 -1.91 0.00 1.74 -1.01 -4.21 116.66 108.05 3n9i n ARG 128 Ca -0.02 0.19 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 3n9i n ARG 128 Cb 0.60 -1.69 0.04 0.00 -1.02 0.00 0.00 32.46 30.39 3n9i n ARG 128 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3n9i n TYR 129 N -2.96 3.10 0.25 -1.55 4.01 0.87 -4.84 117.16 116.04 3n9i n TYR 129 Ca -0.23 -2.68 0.09 0.00 -0.16 0.00 0.00 57.90 54.92 3n9i n TYR 129 Cb 1.09 -0.83 0.66 0.00 -0.31 0.00 0.00 39.34 39.95 3n9i n TYR 129 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3n9i h ALA 130 N 2.46 1.98 0.00 -0.72 0.00 -1.70 0.14 119.26 121.43 3n9i h ALA 130 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3n9i h ALA 130 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3n9i h ALA 130 CO 1.21 -0.03 0.00 -0.85 0.00 0.00 0.00 179.25 179.58 3n9i n GLU 131 N -4.48 0.45 -3.03 0.00 0.00 -1.26 -4.17 120.64 108.15 3n9i n GLU 131 Ca -0.02 0.03 -0.16 0.00 0.00 0.00 0.00 57.16 57.01 3n9i n GLU 131 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.05 3n9i n GLU 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3n9i n ASN 132 N -1.24 -0.45 -4.50 -1.84 5.15 0.50 -5.03 115.26 107.85 3n9i n ASN 132 Ca 0.14 -3.16 -0.43 0.00 -0.60 0.00 0.00 54.58 50.52 3n9i n ASN 132 Cb 0.19 0.27 -0.01 0.00 -0.53 0.00 0.00 39.78 39.69 3n9i n ASN 132 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3n9i s ILE 133 N -1.23 4.58 0.45 -1.44 1.01 -1.20 -4.94 121.20 118.42 3n9i s ILE 133 Ca 0.34 -1.81 0.07 0.00 0.00 0.00 0.00 60.65 59.25 3n9i s ILE 133 Cb 0.29 -4.94 0.02 0.00 0.01 0.00 0.00 42.46 37.84 3n9i s ILE 133 CO -0.09 -1.71 0.62 0.54 0.00 0.00 0.00 174.94 174.30 3n9i s ASN 134 N 3.73 5.55 0.39 3.58 4.22 -1.26 -5.01 114.94 126.15 3n9i s ASN 134 Ca 0.42 -0.42 0.16 0.00 -2.14 0.00 0.00 52.86 50.88 3n9i s ASN 134 Cb -0.02 -0.58 0.81 0.00 1.28 0.00 0.00 41.25 42.74 3n9i s ASN 134 CO -0.04 -0.87 1.83 0.00 -2.04 0.00 0.00 177.10 175.99 3n9i h ALA 135 N 0.53 1.25 -0.64 3.54 0.00 -1.97 -2.12 119.26 119.85 3n9i h ALA 135 Ca -0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 3n9i h ALA 135 Cb 1.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3n9i h ALA 135 CO 0.45 0.43 0.22 0.78 0.00 0.00 0.00 179.25 181.13 3n9i h GLY 136 N 1.33 1.05 1.36 0.00 0.00 -1.94 0.17 103.07 105.04 3n9i h GLY 136 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3n9i h GLY 136 CO 0.04 0.57 0.28 -2.00 0.00 0.00 0.00 176.54 175.44 3n9i h LEU 137 N 0.91 0.75 -0.04 3.11 5.85 -1.64 -0.21 115.31 124.05 3n9i h LEU 137 Ca 0.21 -0.07 -0.26 0.00 0.84 0.00 0.00 57.88 58.60 3n9i h LEU 137 Cb 0.26 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.12 3n9i h LEU 137 CO -0.01 0.64 -0.98 0.15 -0.34 0.00 0.00 178.44 177.90 3n9i h PHE 138 N 0.83 1.05 -0.01 1.25 3.57 -1.29 -3.35 116.94 119.00 3n9i h PHE 138 Ca 0.21 -0.54 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3n9i h PHE 138 Cb 0.09 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3n9i h PHE 138 CO 0.01 1.38 -0.47 -3.47 -2.23 0.00 0.00 178.31 173.53 3n9i n ASP 139 N -3.87 1.26 0.28 0.41 2.03 0.55 -4.47 116.55 112.73 3n9i n ASP 139 Ca -0.10 -1.01 0.14 0.00 0.52 0.00 0.00 54.79 54.34 3n9i n ASP 139 Cb 0.85 0.38 0.80 0.00 -0.72 0.00 0.00 41.12 42.43 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 1.24 0.00 -0.11 -0.67 -0.00 -1.18 -1.36 116.97 114.89 3n9i h TYR 140 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 3n9i h TYR 140 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.31 3n9i h TYR 140 CO 0.00 0.08 0.12 -1.35 -0.00 0.00 0.00 178.16 177.01 3n9i h PRO 141 N 0.00 0.00 -0.13 0.10 0.11 -1.87 -0.43 132.00 129.79 3n9i h PRO 141 Ca -0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3n9i h PRO 141 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3n9i h PRO 141 CO 0.01 0.00 -0.38 0.28 -0.21 0.00 0.00 178.00 177.70 3n9i h VAL 142 N 0.00 1.37 -0.83 3.15 2.07 -1.58 -1.14 116.25 119.28 3n9i h VAL 142 Ca 0.05 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 3n9i h VAL 142 Cb 0.29 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 3n9i h VAL 142 CO -0.00 0.50 0.43 0.25 0.02 0.00 0.00 177.57 178.77 3n9i h LEU 143 N 0.08 1.07 -0.70 2.57 5.85 -1.39 0.31 115.31 123.09 3n9i h LEU 143 Ca -0.01 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3n9i h LEU 143 Cb 1.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3n9i h LEU 143 CO 0.08 0.88 0.45 -0.03 -0.34 0.00 0.00 178.44 179.48 3n9i h MET 144 N 1.17 0.86 -0.55 1.25 4.05 -1.04 0.11 114.93 120.78 3n9i h MET 144 Ca 0.29 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 3n9i h MET 144 Cb 0.07 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 3n9i h MET 144 CO -0.04 0.57 0.28 0.00 0.23 0.00 0.00 176.91 177.95 3n9i h ALA 145 N 1.29 0.71 -0.64 0.39 0.00 -0.74 -2.28 119.26 117.98 3n9i h ALA 145 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3n9i h ALA 145 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3n9i h ALA 145 CO -0.09 0.25 0.40 0.00 0.00 0.00 0.00 179.25 179.81 3n9i h ALA 146 N 1.12 0.81 -0.41 0.00 0.00 -0.27 -0.73 119.26 119.78 3n9i h ALA 146 Ca 0.19 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3n9i h ALA 146 Cb 0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3n9i h ALA 146 CO -0.03 0.27 -0.01 -0.44 0.00 0.00 0.00 179.25 179.05 3n9i h ASP 147 N 0.86 -0.18 0.03 0.00 3.32 -0.38 -1.46 116.42 118.61 3n9i h ASP 147 Ca 0.23 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3n9i h ASP 147 Cb -0.05 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3n9i h ASP 147 CO -0.05 -0.05 -0.01 0.40 -1.72 0.00 0.00 179.24 177.81 3n9i h ILE 148 N 0.10 1.36 0.00 0.35 2.04 -1.17 -3.33 117.51 116.86 3n9i h ILE 148 Ca 0.20 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 3n9i h ILE 148 Cb 0.29 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3n9i h ILE 148 CO -0.34 0.32 -0.27 -0.07 0.00 0.00 0.00 178.15 177.79 3n9i h LEU 149 N -0.60 0.00 -1.79 1.44 3.38 -1.05 -2.86 115.31 113.82 3n9i h LEU 149 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3n9i h LEU 149 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3n9i h LEU 149 CO 0.01 0.27 0.36 -0.07 0.09 0.00 0.00 178.44 179.10 3n9i h LEU 150 N 0.00 0.20 -3.00 1.67 3.38 -1.38 -2.95 115.31 113.23 3n9i h LEU 150 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n9i h LEU 150 Cb 0.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3n9i h LEU 150 CO 0.04 0.12 0.00 -1.22 0.09 0.00 0.00 178.44 177.47 3n9i n TYR 151 N -4.45 1.20 -3.74 1.13 4.01 -1.08 -4.40 117.16 109.84 3n9i n TYR 151 Ca 0.09 -0.58 -0.26 0.00 -0.16 0.00 0.00 57.90 57.00 3n9i n TYR 151 Cb 0.44 -0.15 0.05 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.15 -6.29 -2.07 -0.72 1.13 -1.12 -4.90 117.38 104.56 3n9i n GLN 152 Ca 0.24 0.70 -0.41 0.00 -1.94 0.00 0.00 57.00 55.58 3n9i n GLN 152 Cb 0.76 -5.59 -0.02 0.00 0.11 0.00 0.00 30.24 25.49 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 -3.38 2.80 -0.17 5.09 2.01 -1.24 -4.75 115.64 116.00 3n9i s THR 153 Ca 0.46 0.68 0.07 0.00 0.31 0.00 0.00 61.69 63.21 3n9i s THR 153 Cb -0.22 -3.43 -0.22 0.00 0.01 0.00 0.00 72.50 68.63 3n9i s THR 153 CO 0.79 0.11 0.14 0.59 -0.69 0.00 0.00 174.62 175.56 3n9i n ASN 154 N 2.28 1.26 -3.88 3.53 4.13 0.21 -4.12 115.26 118.68 3n9i n ASN 154 Ca 0.06 0.08 -0.12 0.00 1.68 0.00 0.00 54.58 56.28 3n9i n ASN 154 Cb 0.41 -0.05 -0.13 0.00 -1.54 0.00 0.00 39.78 38.47 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 -2.53 0.09 -0.06 3.52 -0.21 -0.54 -0.36 119.66 119.56 3n9i s GLN 155 Ca -0.20 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.13 3n9i s GLN 155 Cb 0.07 0.04 0.02 0.00 1.00 0.00 0.00 33.01 34.14 3n9i s GLN 155 CO 0.74 -0.01 -0.06 0.08 -2.12 0.00 0.00 175.29 173.92 3n9i s VAL 156 N -0.23 0.71 -0.14 1.09 1.01 0.22 -1.82 120.40 121.24 3n9i s VAL 156 Ca -0.03 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 3n9i s VAL 156 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3n9i s VAL 156 CO -0.00 0.28 1.40 -2.84 0.00 0.00 0.00 175.10 173.93 3n9i s PRO 157 N 1.14 4.19 -0.14 2.72 0.02 -1.26 -0.27 135.00 141.40 3n9i s PRO 157 Ca -0.07 1.82 -0.00 0.00 0.02 0.00 0.00 61.00 62.76 3n9i s PRO 157 Cb -0.14 -3.85 -0.01 0.00 0.02 0.00 0.00 34.50 30.52 3n9i s PRO 157 CO -0.01 -0.78 -0.13 0.54 -0.33 0.00 0.00 177.00 176.28 3n9i s VAL 158 N 3.75 2.92 0.59 3.83 0.11 -1.26 -4.93 120.40 125.40 3n9i s VAL 158 Ca 0.61 -0.70 -0.17 0.00 -2.93 0.00 0.00 61.98 58.79 3n9i s VAL 158 Cb -0.25 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 3n9i s VAL 158 CO 0.20 0.51 1.10 -0.83 -3.33 0.00 0.00 175.10 172.76 3n9i s GLY 159 N 0.59 2.36 0.31 6.54 0.00 -1.26 -4.93 107.32 110.94 3n9i s GLY 159 Ca -0.08 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.36 3n9i s GLY 159 CO 0.03 0.98 1.72 0.83 0.00 0.00 0.00 173.10 176.66 3n9i h GLU 160 N 0.67 0.51 0.00 2.90 5.08 -2.02 0.38 114.58 122.10 3n9i h GLU 160 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3n9i h GLU 160 Cb 1.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3n9i h GLU 160 CO 0.56 0.34 0.00 -0.40 -1.00 0.00 0.00 179.01 178.51 3n9i n ASP 161 N -4.93 0.00 -0.72 1.42 5.75 -1.26 -3.21 116.55 113.59 3n9i n ASP 161 Ca 0.26 0.48 0.08 0.00 -0.01 0.00 0.00 54.79 55.60 3n9i n ASP 161 Cb 0.73 -0.49 0.10 0.00 -1.03 0.00 0.00 41.12 40.43 3n9i n ASP 161 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n9i n GLN 162 N -1.49 1.59 -0.17 0.11 1.13 0.13 -4.65 117.38 114.03 3n9i n GLN 162 Ca 0.05 -1.65 -0.07 0.00 -1.94 0.00 0.00 57.00 53.40 3n9i n GLN 162 Cb 0.23 -1.34 0.02 0.00 0.11 0.00 0.00 30.24 29.26 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 3.25 0.67 -0.29 -1.09 1.57 -1.50 -0.74 116.57 118.44 3n9i h LYS 163 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3n9i h LYS 163 Cb 0.73 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3n9i h LYS 163 CO 0.00 0.44 -0.08 0.37 -0.57 0.00 0.00 179.45 179.61 3n9i h GLN 164 N 0.69 0.48 -0.27 3.15 4.15 -1.84 -0.74 115.11 120.73 3n9i h GLN 164 Ca 0.19 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3n9i h GLN 164 Cb -0.07 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3n9i h GLN 164 CO -0.05 0.57 -0.12 0.45 -1.93 0.00 0.00 178.83 177.76 3n9i h HIS 165 N 0.45 0.63 -0.93 3.99 3.86 -1.71 -1.71 115.15 119.72 3n9i h HIS 165 Ca 0.09 -0.15 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3n9i h HIS 165 Cb 0.43 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.69 3n9i h HIS 165 CO 0.01 0.79 0.59 1.25 0.86 0.00 0.00 177.93 181.44 3n9i h LEU 166 N 0.28 0.96 -0.99 2.43 5.85 -0.86 -1.97 115.31 121.02 3n9i h LEU 166 Ca 0.06 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3n9i h LEU 166 Cb 0.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3n9i h LEU 166 CO 0.04 0.64 0.02 -0.33 -0.34 0.00 0.00 178.44 178.46 3n9i h GLU 167 N 1.11 0.74 -0.55 1.25 4.39 -0.90 -1.98 114.58 118.65 3n9i h GLU 167 Ca 0.39 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3n9i h GLU 167 Cb 0.09 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3n9i h GLU 167 CO -0.15 0.74 0.32 1.25 -1.16 0.00 0.00 179.01 180.02 3n9i h LEU 168 N 0.70 0.66 -0.42 1.33 5.85 -0.89 -0.97 115.31 121.58 3n9i h LEU 168 Ca 0.14 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3n9i h LEU 168 Cb 0.41 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3n9i h LEU 168 CO 0.01 0.54 -0.01 0.28 -0.34 0.00 0.00 178.44 178.92 3n9i h SER 169 N 0.73 -0.20 -0.64 1.25 0.02 -0.79 -0.04 113.55 113.89 3n9i h SER 169 Ca 0.19 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3n9i h SER 169 Cb 0.00 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3n9i h SER 169 CO -0.04 -0.06 0.30 0.03 -1.14 0.00 0.00 176.83 175.93 3n9i h ARG 170 N 0.09 0.92 -0.57 3.45 3.08 -1.14 -1.61 114.38 118.59 3n9i h ARG 170 Ca 0.21 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3n9i h ARG 170 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3n9i h ARG 170 CO -0.36 0.73 0.01 -0.44 -1.07 0.00 0.00 179.97 178.85 3n9i h ASP 171 N 0.87 0.98 -0.19 7.04 3.32 -0.44 -0.52 116.42 127.48 3n9i h ASP 171 Ca 0.22 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3n9i h ASP 171 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3n9i h ASP 171 CO -0.03 1.04 0.05 0.40 -1.72 0.00 0.00 179.24 178.98 3n9i h ILE 172 N 0.89 1.20 -0.50 0.35 2.04 -0.98 -0.97 117.51 119.55 3n9i h ILE 172 Ca 0.16 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3n9i h ILE 172 Cb 0.53 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3n9i h ILE 172 CO 0.03 0.20 0.33 0.00 0.00 0.00 0.00 178.15 178.71 3n9i h ALA 173 N 0.86 0.63 -0.21 1.87 0.00 -1.18 0.16 119.26 121.38 3n9i h ALA 173 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3n9i h ALA 173 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3n9i h ALA 173 CO 0.00 0.07 0.11 1.03 0.00 0.00 0.00 179.25 180.46 3n9i h SER 174 N 0.67 0.27 -0.19 0.00 0.87 -0.97 0.43 113.55 114.63 3n9i h SER 174 Ca 0.18 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3n9i h SER 174 Cb -0.07 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3n9i h SER 174 CO -0.04 0.29 0.10 -0.09 -0.53 0.00 0.00 176.83 176.55 3n9i h ARG 175 N 0.23 0.20 -0.32 2.24 2.43 -0.92 -0.20 114.38 118.04 3n9i h ARG 175 Ca 0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3n9i h ARG 175 Cb 0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3n9i h ARG 175 CO -0.01 0.13 0.19 0.35 -1.51 0.00 0.00 179.97 179.12 3n9i h PHE 176 N 0.20 0.42 -0.70 2.20 3.57 -0.88 -2.08 116.94 119.69 3n9i h PHE 176 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3n9i h PHE 176 Cb 0.01 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3n9i h PHE 176 CO -0.09 0.31 0.29 -0.91 -2.23 0.00 0.00 178.31 175.68 3n9i h ASN 177 N 0.41 0.93 -0.02 0.41 2.35 -0.59 -0.40 115.58 118.66 3n9i h ASN 177 Ca 0.11 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3n9i h ASN 177 Cb 0.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3n9i h ASN 177 CO -0.02 0.81 -0.16 0.78 -1.65 0.00 0.00 177.43 177.19 3n9i h ASN 178 N 1.00 0.34 -0.07 5.81 2.35 -0.86 0.32 115.58 124.48 3n9i h ASN 178 Ca 0.24 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 3n9i h ASN 178 Cb 0.16 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.45 3n9i h ASN 178 CO -0.02 0.52 -0.52 -0.07 -1.65 0.00 0.00 177.43 175.68 3n9i h LEU 179 N 0.32 0.58 -0.41 1.61 3.38 -0.81 -3.41 115.31 116.57 3n9i h LEU 179 Ca 0.06 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3n9i h LEU 179 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3n9i h LEU 179 CO 0.03 1.17 0.00 -1.22 0.09 0.00 0.00 178.44 178.51 3n9i n TYR 180 N -4.24 0.00 0.00 1.13 4.01 -0.21 -5.11 117.16 112.73 3n9i n TYR 180 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3n9i n TYR 180 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.56 0.74 3.55 2.72 0.00 0.11 -4.89 105.19 107.99 3n9i n GLY 181 Ca 0.00 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 3n9i n GLY 181 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n9i s ASP 182 N 0.00 6.11 -0.17 1.61 1.01 -1.26 -4.11 116.67 119.86 3n9i s ASP 182 Ca 0.00 -0.50 -0.04 0.00 0.71 0.00 0.00 52.55 52.73 3n9i s ASP 182 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 3n9i s ASP 182 CO 0.00 -1.86 -0.19 -0.38 0.21 0.00 0.00 175.17 172.95 3n9i n ILE 183 N 6.53 0.97 -4.08 0.77 2.08 -1.26 -5.03 119.36 119.34 3n9i n ILE 183 Ca 0.08 -0.31 -0.27 0.00 0.56 0.00 0.00 62.75 62.81 3n9i n ILE 183 Cb 0.49 -1.40 -0.06 0.00 -0.75 0.00 0.00 39.64 37.93 3n9i n ILE 183 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3n9i s PHE 184 N -2.33 3.15 0.30 1.39 0.08 -1.26 -5.01 117.98 114.30 3n9i s PHE 184 Ca -0.24 0.00 -0.20 0.00 0.12 0.00 0.00 56.93 56.61 3n9i s PHE 184 Cb 0.08 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.90 3n9i s PHE 184 CO 0.35 0.52 0.81 0.15 -0.10 0.00 0.00 175.22 176.96 3n9i s LYS 185 N -2.93 4.26 -0.39 0.44 -0.14 -1.26 -5.01 119.74 114.72 3n9i s LYS 185 Ca 0.30 0.96 -0.25 0.00 -1.36 0.00 0.00 55.97 55.63 3n9i s LYS 185 Cb -0.11 -2.64 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 3n9i s LYS 185 CO 0.23 0.24 0.87 0.42 -0.76 0.00 0.00 175.35 176.35 3n9i s ILE 186 N -1.77 4.61 0.48 2.17 -1.09 -1.26 -4.82 121.20 119.52 3n9i s ILE 186 Ca 0.50 0.97 -0.19 0.00 -2.23 0.00 0.00 60.65 59.70 3n9i s ILE 186 Cb -0.14 -4.31 -0.09 0.00 -1.58 0.00 0.00 42.46 36.33 3n9i s ILE 186 CO 0.19 -0.57 0.99 -2.16 -1.23 0.00 0.00 174.94 172.16 3n9i s PRO 187 N 3.40 3.97 0.28 2.79 0.04 -1.26 -4.87 135.00 139.35 3n9i s PRO 187 Ca 0.35 1.16 0.12 0.00 0.04 0.00 0.00 61.00 62.67 3n9i s PRO 187 Cb -0.12 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 3n9i s PRO 187 CO 0.20 -0.26 -0.17 -1.21 0.04 0.00 0.00 177.00 175.60 3n9i s GLU 188 N -3.46 1.78 0.32 4.56 0.41 0.51 -4.86 118.70 117.97 3n9i s GLU 188 Ca 0.63 -1.71 -0.29 0.00 -0.41 0.00 0.00 54.97 53.19 3n9i s GLU 188 Cb -0.12 -1.83 -0.12 0.00 -1.78 0.00 0.00 34.13 30.28 3n9i s GLU 188 CO 0.21 0.34 1.51 -2.30 -0.49 0.00 0.00 175.26 174.53 3n9i n PRO 189 N -0.66 2.57 -3.15 0.39 -0.02 -1.26 -0.61 135.00 132.26 3n9i n PRO 189 Ca -0.05 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 3n9i n PRO 189 Cb 0.60 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 3n9i n PRO 189 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3n9i s PHE 190 N -0.46 3.05 -0.50 6.00 5.36 0.63 -4.64 117.98 127.42 3n9i s PHE 190 Ca 0.60 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.21 3n9i s PHE 190 Cb -0.51 -3.46 0.13 0.00 -0.34 0.00 0.00 43.02 38.84 3n9i s PHE 190 CO 0.55 -0.98 0.25 0.42 -1.46 0.00 0.00 175.22 174.00 3n9i s ILE 191 N 2.69 2.27 0.75 3.12 1.01 -1.26 -4.49 121.20 125.29 3n9i s ILE 191 Ca 0.17 -3.12 -0.08 0.00 0.00 0.00 0.00 60.65 57.62 3n9i s ILE 191 Cb -0.18 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.80 3n9i s ILE 191 CO 0.14 -0.82 1.07 -2.16 0.00 0.00 0.00 174.94 173.17 3n9i s PRO 192 N -0.12 1.96 0.47 2.79 0.04 -1.26 -5.03 135.00 133.85 3n9i s PRO 192 Ca 0.17 -0.27 -0.23 0.00 0.04 0.00 0.00 61.00 60.72 3n9i s PRO 192 Cb -0.26 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 3n9i s PRO 192 CO 0.00 -1.43 1.18 0.21 0.04 0.00 0.00 177.00 176.99 3n9i s LYS 193 N -5.36 3.71 0.10 4.56 2.20 -1.26 -4.86 119.74 118.82 3n9i s LYS 193 Ca 0.62 1.80 -0.36 0.00 -0.36 0.00 0.00 55.97 57.67 3n9i s LYS 193 Cb -0.10 -2.39 -0.17 0.00 -1.51 0.00 0.00 37.83 33.67 3n9i s LYS 193 CO 0.46 -0.60 1.29 0.00 -0.36 0.00 0.00 175.35 176.14 3n9i n ALA 194 N -0.54 -1.11 -1.08 3.13 0.00 -1.26 -5.01 120.51 114.64 3n9i n ALA 194 Ca 0.08 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3n9i n ALA 194 Cb 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3n9i n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n9i n GLY 195 N 2.37 -0.49 3.76 0.00 0.00 -1.21 -5.03 105.19 104.59 3n9i n GLY 195 Ca 0.18 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.83 3.07 -0.20 4.61 0.00 -0.85 -4.91 121.76 119.65 3n9i s ALA 196 Ca 0.00 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 3n9i s ALA 196 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3n9i s ALA 196 CO 0.00 -1.20 0.66 0.50 0.00 0.00 0.00 175.76 175.72 3n9i s ARG 197 N -2.61 4.21 -0.06 0.00 3.52 -1.26 -4.10 118.95 118.65 3n9i s ARG 197 Ca 0.65 0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 56.92 3n9i s ARG 197 Cb -0.41 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.42 3n9i s ARG 197 CO 0.51 -0.28 -0.01 0.08 -0.81 0.00 0.00 175.30 174.80 3n9i s VAL 198 N 2.04 0.38 0.45 7.11 1.01 -1.26 -4.05 120.40 126.08 3n9i s VAL 198 Ca 0.30 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.40 3n9i s VAL 198 Cb -0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3n9i s VAL 198 CO 0.10 0.24 0.14 -0.04 0.00 0.00 0.00 175.10 175.54 3n9i s MET 199 N 1.59 2.17 0.37 2.72 -1.94 -1.26 -4.16 119.30 118.78 3n9i s MET 199 Ca -0.01 -2.04 -0.27 0.00 -1.71 0.00 0.00 55.69 51.66 3n9i s MET 199 Cb -0.13 -1.83 -0.10 0.00 2.01 0.00 0.00 34.83 34.78 3n9i s MET 199 CO -0.03 -0.22 1.31 -1.12 -0.01 0.00 0.00 175.02 174.94 3n9i s SER 200 N -3.91 6.54 0.33 3.03 0.01 0.52 -4.65 113.70 115.58 3n9i s SER 200 Ca 0.32 2.68 0.15 0.00 1.31 0.00 0.00 55.95 60.40 3n9i s SER 200 Cb 0.04 -2.64 0.55 0.00 0.21 0.00 0.00 66.02 64.17 3n9i s SER 200 CO 0.17 -0.69 1.69 -0.07 0.41 0.00 0.00 173.24 174.75 3n9i h LEU 201 N 3.02 0.00 0.00 2.44 3.38 -1.62 -2.27 115.31 120.27 3n9i h LEU 201 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 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 0.64 0.47 -0.80 0.00 0.09 0.00 0.00 178.44 178.84 3n9i n GLN 202 N -3.66 1.65 -3.22 1.13 1.13 -1.26 -1.30 117.38 111.85 3n9i n GLN 202 Ca -0.01 -0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.83 3n9i n GLN 202 Cb 0.55 -1.26 -0.07 0.00 0.11 0.00 0.00 30.24 29.57 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 -1.41 -0.98 0.00 1.08 2.03 -1.18 -4.86 116.55 111.24 3n9i n ASP 203 Ca 0.03 -2.56 0.06 0.00 0.52 0.00 0.00 54.79 52.84 3n9i n ASP 203 Cb 0.26 -0.08 0.34 0.00 -0.72 0.00 0.00 41.12 40.91 3n9i n ASP 203 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3n9i n PRO 204 N 2.56 0.52 0.00 -0.67 -0.04 -0.86 -1.53 135.00 134.97 3n9i n PRO 204 Ca 0.26 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3n9i n PRO 204 Cb 0.51 -1.34 0.46 0.00 -0.04 0.00 0.00 33.50 33.09 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 -0.84 0.00 -4.78 0.52 -2.24 -1.26 -4.67 114.28 101.01 3n9i n THR 205 Ca 0.09 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 3n9i n THR 205 Cb 0.04 -0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 3n9i n THR 205 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3n9i s LYS 206 N -2.81 2.24 0.87 -0.78 2.20 -0.58 -5.04 119.74 115.83 3n9i s LYS 206 Ca 0.18 -0.87 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 3n9i s LYS 206 Cb 0.19 -2.25 0.12 0.00 -1.51 0.00 0.00 37.83 34.37 3n9i s LYS 206 CO 0.58 0.57 1.11 0.15 -0.36 0.00 0.00 175.35 177.40 3n9i s LYS 207 N -1.15 1.44 0.32 4.03 3.01 -1.26 -0.35 119.74 125.78 3n9i s LYS 207 Ca 0.13 1.30 -0.29 0.00 -1.01 0.00 0.00 55.97 56.11 3n9i s LYS 207 Cb -0.11 -1.79 -0.10 0.00 -1.01 0.00 0.00 37.83 34.82 3n9i s LYS 207 CO 0.03 -2.26 1.25 -1.64 0.51 0.00 0.00 175.35 173.25 3n9i s MET 208 N -4.77 4.41 -0.05 1.68 -1.94 -1.26 -4.33 119.30 113.04 3n9i s MET 208 Ca 0.64 2.10 0.03 0.00 -1.71 0.00 0.00 55.69 56.75 3n9i s MET 208 Cb -0.20 -3.08 0.01 0.00 2.01 0.00 0.00 34.83 33.57 3n9i s MET 208 CO 0.57 -0.10 -0.12 0.45 -0.01 0.00 0.00 175.02 175.82 3n9i s SER 209 N -0.61 1.61 0.52 3.03 0.15 -1.26 -4.96 113.70 112.19 3n9i s SER 209 Ca 0.48 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.15 3n9i s SER 209 Cb -0.37 -0.61 1.46 0.00 -1.71 0.00 0.00 66.02 64.78 3n9i s SER 209 CO 0.49 0.06 2.07 0.07 1.20 0.00 0.00 173.24 177.13 3n9i h LYS 210 N 6.69 0.00 -0.67 5.44 2.10 -1.98 -2.73 116.57 125.42 3n9i h LYS 210 Ca -0.33 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.10 3n9i h LYS 210 Cb 1.18 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.37 3n9i h LYS 210 CO 0.48 0.11 0.24 -1.13 -2.00 0.00 0.00 179.45 177.15 3n9i n SER 211 N -3.59 4.30 -4.75 7.07 3.41 -1.26 -4.99 113.62 113.81 3n9i n SER 211 Ca -0.02 -3.32 -0.41 0.00 -0.26 0.00 0.00 58.87 54.86 3n9i n SER 211 Cb 0.24 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 3n9i n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n9i s ASP 212 N -1.38 6.82 0.47 4.04 -1.08 -1.03 -4.91 116.67 119.60 3n9i s ASP 212 Ca 0.53 2.56 0.24 0.00 -0.52 0.00 0.00 52.55 55.35 3n9i s ASP 212 Cb 0.43 -2.63 1.15 0.00 -1.46 0.00 0.00 42.92 40.41 3n9i s ASP 212 CO 0.11 -0.54 1.95 0.44 0.52 0.00 0.00 175.17 177.64 3n9i h ASP 213 N 4.46 0.00 -2.73 -0.34 3.32 -1.94 -3.38 116.42 115.82 3n9i h ASP 213 Ca -0.47 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 55.91 3n9i h ASP 213 Cb 1.22 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 3n9i h ASP 213 CO 0.72 0.20 0.45 0.21 -1.72 0.00 0.00 179.24 179.11 3n9i s ASN 214 N -6.31 6.32 0.57 6.45 3.84 -1.26 -4.90 114.94 119.65 3n9i s ASN 214 Ca -0.02 -1.48 0.35 0.00 0.21 0.00 0.00 52.86 51.92 3n9i s ASN 214 Cb 0.12 -2.36 1.58 0.00 -0.55 0.00 0.00 41.25 40.04 3n9i s ASN 214 CO 0.63 -1.20 2.07 0.03 -2.79 0.00 0.00 177.10 175.84 3n9i h ARG 215 N 9.17 0.00 0.00 0.43 2.47 -1.94 -1.82 114.38 122.69 3n9i h ARG 215 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3n9i h ARG 215 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 3n9i h ARG 215 CO 1.12 0.03 0.00 0.09 0.56 0.00 0.00 179.97 181.76 3n9i n ASN 216 N -3.16 0.00 0.15 7.04 3.02 -1.26 -2.51 115.26 118.53 3n9i n ASN 216 Ca -0.00 0.38 0.02 0.00 -0.03 0.00 0.00 54.58 54.95 3n9i n ASN 216 Cb 0.26 -0.44 0.13 0.00 -0.61 0.00 0.00 39.78 39.11 3n9i n ASN 216 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3n9i h ASN 217 N 0.00 0.00 -4.33 6.41 -0.26 -1.71 -3.38 115.58 112.31 3n9i h ASN 217 Ca 0.00 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 55.11 3n9i h ASN 217 Cb 0.24 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 37.20 3n9i h ASN 217 CO 0.00 0.53 -0.86 -0.69 -1.06 0.00 0.00 177.43 175.35 3n9i s VAL 218 N -3.19 1.76 -0.13 2.81 1.01 -1.04 -2.11 120.40 119.50 3n9i s VAL 218 Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3n9i s VAL 218 Cb 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3n9i s VAL 218 CO 0.73 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 175.49 3n9i s ILE 219 N -0.39 2.24 0.21 2.22 1.01 -1.26 -4.98 121.20 120.25 3n9i s ILE 219 Ca 0.05 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.84 3n9i s ILE 219 Cb -0.10 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3n9i s ILE 219 CO 0.00 0.54 0.12 -1.61 0.00 0.00 0.00 174.94 174.00 3n9i s GLU 220 N 0.62 2.75 0.34 2.79 2.02 -1.26 -1.23 118.70 124.73 3n9i s GLU 220 Ca -0.11 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 53.86 3n9i s GLU 220 Cb -0.16 -2.50 0.60 0.00 0.10 0.00 0.00 34.13 32.17 3n9i s GLU 220 CO 0.03 0.43 1.91 -0.07 0.02 0.00 0.00 175.26 177.58 3n9i h LEU 221 N 2.03 0.59 -2.39 1.80 3.38 -0.95 -2.61 115.31 117.15 3n9i h LEU 221 Ca -0.47 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3n9i h LEU 221 Cb 1.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3n9i h LEU 221 CO 0.61 0.57 0.00 0.18 0.09 0.00 0.00 178.44 179.89 3n9i n LEU 222 N -4.33 3.50 -4.76 1.67 4.77 -1.26 -4.78 117.00 111.81 3n9i n LEU 222 Ca 0.03 -1.75 -0.41 0.00 -0.03 0.00 0.00 56.01 53.85 3n9i n LEU 222 Cb 0.18 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3n9i n LEU 222 CO 0.38 0.83 1.04 -0.70 -1.33 0.00 0.00 177.39 177.62 3n9i s GLU 223 N -1.23 4.31 -0.15 3.23 2.12 -0.98 -4.91 118.70 121.08 3n9i s GLU 223 Ca 0.43 2.26 -0.39 0.00 0.36 0.00 0.00 54.97 57.63 3n9i s GLU 223 Cb 0.23 -3.09 -0.16 0.00 0.26 0.00 0.00 34.13 31.37 3n9i s GLU 223 CO 0.28 -0.31 1.59 -3.47 -0.54 0.00 0.00 175.26 172.81 3n9i n ASP 224 N 1.55 2.06 -0.14 -1.70 -0.08 -1.26 -4.81 116.55 112.18 3n9i n ASP 224 Ca 0.03 1.09 0.16 0.00 -1.51 0.00 0.00 54.79 54.57 3n9i n ASP 224 Cb 0.41 -1.15 0.54 0.00 2.34 0.00 0.00 41.12 43.26 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 6.17 0.33 -0.73 -0.67 0.11 -1.94 -1.14 132.00 134.13 3n9i h PRO 225 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3n9i h PRO 225 Cb 1.33 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3n9i h PRO 225 CO 0.89 0.22 0.26 0.87 -0.21 0.00 0.00 178.00 180.03 3n9i h LYS 226 N 0.34 1.11 -0.37 1.05 1.57 -1.99 -0.84 116.57 117.43 3n9i h LYS 226 Ca 0.35 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 3n9i h LYS 226 Cb 0.89 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3n9i h LYS 226 CO -0.10 0.92 -0.26 1.03 -0.57 0.00 0.00 179.45 180.48 3n9i h SER 227 N 1.08 0.87 -0.77 0.86 0.87 -1.61 -2.72 113.55 112.12 3n9i h SER 227 Ca 0.24 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3n9i h SER 227 Cb 0.26 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 3n9i h SER 227 CO -0.01 1.11 0.49 0.58 -0.53 0.00 0.00 176.83 178.47 3n9i h VAL 228 N 0.62 1.11 -0.27 2.23 2.07 -0.91 -1.38 116.25 119.73 3n9i h VAL 228 Ca 0.07 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3n9i h VAL 228 Cb 0.83 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3n9i h VAL 228 CO 0.07 0.17 0.05 0.58 0.02 0.00 0.00 177.57 178.46 3n9i h VAL 229 N 0.96 1.23 -0.54 2.57 2.07 -1.12 -1.56 116.25 119.85 3n9i h VAL 229 Ca 0.31 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.14 3n9i h VAL 229 Cb 0.02 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3n9i h VAL 229 CO -0.11 0.25 0.20 0.11 0.02 0.00 0.00 177.57 178.03 3n9i h LYS 230 N 0.27 0.37 -0.69 1.57 1.57 -1.18 -0.28 116.57 118.20 3n9i h LYS 230 Ca 0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3n9i h LYS 230 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3n9i h LYS 230 CO 0.00 0.25 0.41 0.87 -0.57 0.00 0.00 179.45 180.42 3n9i h LYS 231 N 0.38 0.94 -0.36 3.15 1.57 -1.04 -2.47 116.57 118.74 3n9i h LYS 231 Ca 0.26 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 3n9i h LYS 231 Cb 0.29 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3n9i h LYS 231 CO -0.26 0.67 -0.40 0.82 -0.57 0.00 0.00 179.45 179.71 3n9i h ILE 232 N 0.94 1.27 0.00 1.86 2.04 -0.87 -2.76 117.51 119.99 3n9i h ILE 232 Ca 0.25 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 3n9i h ILE 232 Cb -0.03 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3n9i h ILE 232 CO -0.05 0.52 -0.02 0.11 0.00 0.00 0.00 178.15 178.72 3n9i h LYS 233 N 0.72 0.00 -0.47 2.37 1.57 -0.81 -2.13 116.57 117.82 3n9i h LYS 233 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3n9i h LYS 233 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3n9i h LYS 233 CO 0.10 0.02 0.00 2.89 -0.57 0.00 0.00 179.45 181.89 3n9i n ARG 234 N -3.43 3.07 -1.76 3.15 1.85 -0.95 -5.02 116.66 113.56 3n9i n ARG 234 Ca -0.03 -2.49 -0.38 0.00 -1.00 0.00 0.00 57.85 53.95 3n9i n ARG 234 Cb 0.12 -1.56 0.04 0.00 -1.05 0.00 0.00 32.46 30.01 3n9i n ARG 234 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3n9i s ALA 235 N -1.50 2.83 0.17 2.89 0.00 -0.80 -4.88 121.76 120.46 3n9i s ALA 235 Ca 0.37 1.36 -0.31 0.00 0.00 0.00 0.00 51.96 53.37 3n9i s ALA 235 Cb 0.23 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3n9i s ALA 235 CO 0.20 -1.40 1.56 1.41 0.00 0.00 0.00 175.76 177.52 3n9i s MET 236 N -2.90 4.22 0.29 0.00 1.75 -0.42 -5.01 119.30 117.22 3n9i s MET 236 Ca 0.72 2.36 0.02 0.00 -1.25 0.00 0.00 55.69 57.54 3n9i s MET 236 Cb -0.41 -3.15 -0.05 0.00 2.84 0.00 0.00 34.83 34.06 3n9i s MET 236 CO 0.49 -0.59 0.12 0.95 -0.65 0.00 0.00 175.02 175.33 3n9i s THR 237 N 1.05 0.50 0.79 10.11 -4.23 -1.26 -4.28 115.64 118.32 3n9i s THR 237 Ca 0.69 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3n9i s THR 237 Cb -0.44 -2.58 0.14 0.00 1.34 0.00 0.00 72.50 70.96 3n9i s THR 237 CO 0.32 0.00 1.09 1.51 -0.54 0.00 0.00 174.62 177.00 3n9i s ASP 238 N -3.36 4.06 -0.31 3.99 1.47 -1.26 -5.01 116.67 116.25 3n9i s ASP 238 Ca 0.36 -0.05 0.10 0.00 1.18 0.00 0.00 52.55 54.14 3n9i s ASP 238 Cb 0.07 -0.28 0.65 0.00 -0.34 0.00 0.00 42.92 43.01 3n9i s ASP 238 CO 0.15 -2.08 1.69 -1.20 0.68 0.00 0.00 175.17 174.41 3n9i n SER 239 N -3.12 4.00 -4.71 2.11 7.64 -1.26 -5.02 113.62 113.25 3n9i n SER 239 Ca 0.14 -3.37 -0.43 0.00 1.01 0.00 0.00 58.87 56.22 3n9i n SER 239 Cb 0.60 -0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.58 3.24 -3.93 6.43 9.92 -1.26 -4.99 116.55 125.37 3n9i n ASP 240 Ca 0.39 1.17 -0.28 0.00 -0.53 0.00 0.00 54.79 55.54 3n9i n ASP 240 Cb 1.27 -1.52 -0.17 0.00 -0.64 0.00 0.00 41.12 40.07 3n9i n ASP 240 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3n9i s GLU 241 N -1.01 1.68 0.88 -1.24 -1.05 -1.26 -3.01 118.70 113.68 3n9i s GLU 241 Ca 0.62 -0.48 -0.12 0.00 -0.15 0.00 0.00 54.97 54.84 3n9i s GLU 241 Cb -0.56 -1.94 0.12 0.00 -0.44 0.00 0.00 34.13 31.31 3n9i s GLU 241 CO 0.54 -0.35 1.10 -1.25 0.95 0.00 0.00 175.26 176.25 3n9i s PRO 242 N 1.60 1.43 0.18 -4.83 0.04 -1.26 -5.07 135.00 127.09 3n9i s PRO 242 Ca 0.03 0.72 -0.32 0.00 0.04 0.00 0.00 61.00 61.47 3n9i s PRO 242 Cb -0.14 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3n9i s PRO 242 CO -0.08 -2.10 1.73 0.00 0.04 0.00 0.00 177.00 176.59 3n9i s ALA 243 N -3.02 3.89 -0.19 8.56 0.00 -1.16 -4.99 121.76 124.85 3n9i s ALA 243 Ca 0.63 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 54.12 3n9i s ALA 243 Cb -0.17 -3.71 0.05 0.00 0.00 0.00 0.00 23.12 19.30 3n9i s ALA 243 CO 0.56 -0.98 -0.03 -1.17 0.00 0.00 0.00 175.76 174.14 3n9i s LEU 244 N 1.53 1.73 -1.01 0.00 2.96 -1.26 -4.87 118.68 117.76 3n9i s LEU 244 Ca 0.76 -0.81 -0.20 0.00 -0.22 0.00 0.00 54.13 53.65 3n9i s LEU 244 Cb -0.48 -0.90 0.10 0.00 0.50 0.00 0.00 46.19 45.41 3n9i s LEU 244 CO 0.33 -0.22 1.32 -0.63 -1.32 0.00 0.00 176.35 175.82 3n9i s ILE 245 N 1.63 4.40 0.00 6.68 1.01 -1.26 -4.94 121.20 128.72 3n9i s ILE 245 Ca -0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 3n9i s ILE 245 Cb -0.16 -4.93 -0.01 0.00 0.01 0.00 0.00 42.46 37.37 3n9i s ILE 245 CO -0.07 -1.72 0.05 -0.13 0.00 0.00 0.00 174.94 173.07 3n9i s ARG 246 N 3.58 0.30 -0.15 2.79 0.52 -1.26 -4.78 118.95 119.95 3n9i s ARG 246 Ca 0.40 -0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 55.03 3n9i s ARG 246 Cb -0.02 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 3n9i s ARG 246 CO -0.08 -0.06 0.72 -0.47 0.02 0.00 0.00 175.30 175.43 3n9i s TYR 247 N -1.03 3.44 -0.29 -0.53 5.04 -1.26 -4.59 117.35 118.13 3n9i s TYR 247 Ca -0.11 1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 55.63 3n9i s TYR 247 Cb -0.07 -2.88 0.19 0.00 0.35 0.00 0.00 41.96 39.56 3n9i s TYR 247 CO 0.00 -0.13 0.77 0.34 -1.34 0.00 0.00 175.55 175.19 3n9i s ASP 248 N 1.08 -1.14 0.23 4.32 -1.08 -1.26 -5.04 116.67 113.78 3n9i s ASP 248 Ca 0.34 0.20 -0.07 0.00 -0.52 0.00 0.00 52.55 52.51 3n9i s ASP 248 Cb -0.17 1.75 0.22 0.00 -1.46 0.00 0.00 42.92 43.26 3n9i s ASP 248 CO 0.13 -0.21 1.85 0.58 0.52 0.00 0.00 175.17 178.05 3n9i h VAL 249 N 5.45 1.26 0.08 1.11 2.07 -1.93 0.17 116.25 124.46 3n9i h VAL 249 Ca -0.06 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3n9i h VAL 249 Cb 1.18 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3n9i h VAL 249 CO 0.06 0.29 -0.04 -0.08 0.02 0.00 0.00 177.57 177.82 3n9i h GLU 250 N 1.25 -0.11 0.00 1.57 4.81 -1.97 -3.13 114.58 117.00 3n9i h GLU 250 Ca 0.31 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3n9i h GLU 250 Cb 0.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3n9i h GLU 250 CO -0.05 0.13 -1.93 1.63 -0.73 0.00 0.00 179.01 178.06 3n9i n LYS 251 N -5.03 0.66 -2.61 1.92 5.02 -1.20 -4.60 118.16 112.31 3n9i n LYS 251 Ca -0.08 -0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 55.96 3n9i n LYS 251 Cb 0.16 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.42 1.73 -0.32 1.97 5.02 0.59 -4.95 118.16 119.78 3n9i n LYS 252 Ca -0.09 -3.57 0.06 0.00 -2.02 0.00 0.00 58.31 52.69 3n9i n LYS 252 Cb 0.68 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.44 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 2.89 1.54 -0.12 7.82 0.00 -1.55 -0.48 119.26 129.36 3n9i h ALA 253 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3n9i h ALA 253 Cb 1.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3n9i h ALA 253 CO 0.59 0.27 0.00 0.78 0.00 0.00 0.00 179.25 180.89 3n9i h GLY 254 N 0.99 0.22 1.24 0.00 0.00 -1.89 -1.18 103.07 102.45 3n9i h GLY 254 Ca 0.43 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 3n9i h GLY 254 CO -0.19 0.15 -0.03 -2.08 0.00 0.00 0.00 176.54 174.39 3n9i h VAL 255 N -0.06 1.26 -0.73 4.60 2.07 -1.62 -2.18 116.25 119.58 3n9i h VAL 255 Ca 0.03 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 3n9i h VAL 255 Cb 0.36 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3n9i h VAL 255 CO 0.01 0.40 0.26 0.28 0.02 0.00 0.00 177.57 178.53 3n9i h SER 256 N 0.83 1.04 -0.48 0.57 0.02 -1.02 -1.96 113.55 112.55 3n9i h SER 256 Ca 0.15 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3n9i h SER 256 Cb 0.54 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3n9i h SER 256 CO 0.03 0.95 -0.16 -1.13 -1.14 0.00 0.00 176.83 175.38 3n9i h ASN 257 N 1.07 0.99 -0.89 3.07 -1.24 -0.95 0.04 115.58 117.66 3n9i h ASN 257 Ca 0.24 -0.35 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 3n9i h ASN 257 Cb 0.26 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 3n9i h ASN 257 CO -0.01 1.13 0.55 -0.07 -1.29 0.00 0.00 177.43 177.73 3n9i h LEU 258 N 0.86 1.06 -0.43 0.34 3.38 -1.18 0.34 115.31 119.67 3n9i h LEU 258 Ca 0.12 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3n9i h LEU 258 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3n9i h LEU 258 CO 0.06 0.81 0.00 -0.07 0.09 0.00 0.00 178.44 179.32 3n9i h LEU 259 N 1.22 0.75 -0.71 1.67 3.38 -1.04 -1.31 115.31 119.28 3n9i h LEU 259 Ca 0.32 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3n9i h LEU 259 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3n9i h LEU 259 CO -0.06 0.87 0.32 0.44 0.09 0.00 0.00 178.44 180.10 3n9i h ASP 260 N 0.61 0.94 -0.11 -0.43 3.32 -0.72 -0.08 116.42 119.96 3n9i h ASP 260 Ca 0.12 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3n9i h ASP 260 Cb 0.49 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3n9i h ASP 260 CO 0.02 0.83 0.03 0.40 -1.72 0.00 0.00 179.24 178.80 3n9i h ILE 261 N 1.00 1.18 -0.58 0.35 2.04 -0.80 -0.15 117.51 120.55 3n9i h ILE 261 Ca 0.24 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3n9i h ILE 261 Cb 0.16 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3n9i h ILE 261 CO -0.03 0.16 0.34 0.25 0.00 0.00 0.00 178.15 178.88 3n9i h LEU 262 N -0.02 0.54 -1.03 1.44 5.85 -1.15 -1.45 115.31 119.49 3n9i h LEU 262 Ca 0.03 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3n9i h LEU 262 Cb 0.23 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3n9i h LEU 262 CO -0.00 0.37 0.64 -1.28 -0.34 0.00 0.00 178.44 177.84 3n9i h SER 263 N 0.67 1.04 -0.08 1.25 0.87 -0.93 0.26 113.55 116.63 3n9i h SER 263 Ca 0.24 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 3n9i h SER 263 Cb 0.06 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3n9i h SER 263 CO -0.12 0.67 -0.17 1.23 -0.53 0.00 0.00 176.83 177.92 3n9i h GLY 264 N 1.18 0.48 0.29 5.77 0.00 -0.34 0.32 103.07 110.76 3n9i h GLY 264 Ca 0.42 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3n9i h GLY 264 CO -0.16 0.31 -0.23 -2.08 0.00 0.00 0.00 176.54 174.38 3n9i h VAL 265 N 0.40 1.65 0.00 4.60 2.07 -0.53 -3.39 116.25 121.06 3n9i h VAL 265 Ca 0.07 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.37 3n9i h VAL 265 Cb 0.53 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3n9i h VAL 265 CO 0.03 0.60 -0.73 0.35 0.02 0.00 0.00 177.57 177.84 3n9i n THR 266 N -4.49 0.27 -0.91 2.57 -2.24 0.01 -4.95 114.28 104.54 3n9i n THR 266 Ca -0.11 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3n9i n THR 266 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3n9i n THR 266 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n9i n GLY 267 N 1.36 0.73 3.77 3.38 0.00 0.10 -5.02 105.19 109.51 3n9i n GLY 267 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.25 4.23 0.70 1.61 -0.21 -1.25 -5.02 119.66 119.47 3n9i s GLN 268 Ca 0.00 1.82 -0.12 0.00 0.02 0.00 0.00 55.36 57.08 3n9i s GLN 268 Cb 0.00 -2.81 0.02 0.00 1.00 0.00 0.00 33.01 31.22 3n9i s GLN 268 CO 0.00 -0.17 1.08 -1.54 -2.12 0.00 0.00 175.29 172.55 3n9i s SER 269 N -1.07 5.03 0.15 5.90 1.04 -1.26 -4.49 113.70 118.99 3n9i s SER 269 Ca 0.54 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.62 3n9i s SER 269 Cb -0.31 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.34 3n9i s SER 269 CO 0.39 -1.68 1.74 0.40 0.98 0.00 0.00 173.24 175.07 3n9i h ILE 270 N -0.51 0.86 -0.83 -1.02 1.08 -1.95 -1.26 117.51 113.87 3n9i h ILE 270 Ca -0.45 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.02 3n9i h ILE 270 Cb 1.23 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 35.55 3n9i h ILE 270 CO 0.54 0.04 0.50 -0.65 -0.69 0.00 0.00 178.15 177.89 3n9i h PRO 271 N 0.20 0.88 -0.40 2.37 0.11 -1.99 -0.51 132.00 132.66 3n9i h PRO 271 Ca 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3n9i h PRO 271 Cb 0.16 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 3n9i h PRO 271 CO -0.19 0.58 0.26 0.93 -0.21 0.00 0.00 178.00 179.38 3n9i h GLU 272 N 0.90 0.53 -0.63 1.05 5.08 -1.82 -1.48 114.58 118.21 3n9i h GLU 272 Ca 0.37 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3n9i h GLU 272 Cb 0.22 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3n9i h GLU 272 CO -0.19 0.35 0.11 -0.07 -1.00 0.00 0.00 179.01 178.21 3n9i h LEU 273 N 0.54 0.97 -0.75 1.33 3.38 -0.87 0.49 115.31 120.40 3n9i h LEU 273 Ca 0.15 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3n9i h LEU 273 Cb -0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3n9i h LEU 273 CO -0.03 0.96 0.25 -0.33 0.09 0.00 0.00 178.44 179.38 3n9i h GLU 274 N 0.96 1.16 -0.24 1.13 5.08 -0.84 -0.03 114.58 121.80 3n9i h GLU 274 Ca 0.20 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3n9i h GLU 274 Cb 0.40 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3n9i h GLU 274 CO 0.01 0.98 0.08 0.00 -1.00 0.00 0.00 179.01 179.08 3n9i h ALA 275 N 1.13 0.32 -0.40 3.43 0.00 -1.04 -2.63 119.26 120.07 3n9i h ALA 275 Ca 0.24 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3n9i h ALA 275 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3n9i h ALA 275 CO -0.01 -0.05 0.27 0.37 0.00 0.00 0.00 179.25 179.83 3n9i h GLN 276 N 0.23 0.47 -0.62 0.00 4.15 -0.49 -2.50 115.11 116.35 3n9i h GLN 276 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3n9i h GLN 276 Cb 0.23 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3n9i h GLN 276 CO -0.00 0.31 0.00 1.19 -1.93 0.00 0.00 178.83 178.40 3n9i n PHE 277 N -4.48 1.83 -1.73 3.99 3.72 -0.06 -4.99 117.46 115.75 3n9i n PHE 277 Ca 0.04 -0.66 -0.42 0.00 -0.05 0.00 0.00 57.45 56.35 3n9i n PHE 277 Cb 0.11 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.21 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 0.79 0.60 -0.97 4.37 -1.04 -0.94 -2.00 114.28 115.08 3n9i n THR 278 Ca 0.26 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3n9i n THR 278 Cb 1.07 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 2.90 0.46 3.98 3.41 0.00 -1.26 -5.01 105.19 109.67 3n9i n GLY 279 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 3.28 0.48 1.61 -1.52 -0.85 -5.11 119.66 117.12 3n9i s GLN 280 Ca 0.00 -0.81 -0.05 0.00 -1.95 0.00 0.00 55.36 52.55 3n9i s GLN 280 Cb 0.00 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 3n9i s GLN 280 CO 0.00 0.20 0.78 1.41 -0.25 0.00 0.00 175.29 177.43 3n9i s MET 281 N -4.13 3.54 0.42 2.91 1.75 -1.26 -4.65 119.30 117.88 3n9i s MET 281 Ca 0.40 0.19 0.09 0.00 -1.25 0.00 0.00 55.69 55.12 3n9i s MET 281 Cb -0.09 -2.38 0.90 0.00 2.84 0.00 0.00 34.83 36.09 3n9i s MET 281 CO 0.31 -0.20 2.04 1.88 -0.65 0.00 0.00 175.02 178.40 3n9i h TYR 282 N 0.23 0.38 -0.96 4.11 0.05 -1.98 -2.30 116.97 116.51 3n9i h TYR 282 Ca -0.47 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.37 3n9i h TYR 282 Cb 1.20 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 38.75 3n9i h TYR 282 CO 0.58 0.29 0.61 0.78 -1.05 0.00 0.00 178.16 179.38 3n9i h GLY 283 N 0.51 1.46 0.95 3.88 0.00 -1.98 0.07 103.07 107.96 3n9i h GLY 283 Ca 0.10 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3n9i h GLY 283 CO -0.01 0.31 0.02 0.45 0.00 0.00 0.00 176.54 177.31 3n9i h HIS 284 N 1.11 0.77 -0.29 5.60 3.86 -1.81 0.01 115.15 124.39 3n9i h HIS 284 Ca 0.42 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3n9i h HIS 284 Cb 0.17 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3n9i h HIS 284 CO -0.01 0.77 0.14 1.25 0.86 0.00 0.00 177.93 180.94 3n9i h LEU 285 N 0.54 0.38 -0.81 2.43 5.85 -1.17 -1.27 115.31 121.26 3n9i h LEU 285 Ca 0.12 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3n9i h LEU 285 Cb 0.45 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3n9i h LEU 285 CO 0.02 0.39 0.40 0.11 -0.34 0.00 0.00 178.44 179.02 3n9i h LYS 286 N 0.34 1.16 -0.69 1.25 1.57 -0.92 -0.61 116.57 118.68 3n9i h LYS 286 Ca 0.10 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3n9i h LYS 286 Cb 0.11 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3n9i h LYS 286 CO -0.01 0.89 0.44 0.78 -0.57 0.00 0.00 179.45 180.97 3n9i h GLY 287 N 1.14 0.98 0.91 3.86 0.00 -0.85 0.12 103.07 109.22 3n9i h GLY 287 Ca 0.28 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3n9i h GLY 287 CO -0.04 0.38 0.11 0.00 0.00 0.00 0.00 176.54 176.99 3n9i h ALA 288 N 1.23 0.40 -0.50 3.60 0.00 -0.74 -1.54 119.26 121.70 3n9i h ALA 288 Ca 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3n9i h ALA 288 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3n9i h ALA 288 CO -0.05 0.01 0.17 0.28 0.00 0.00 0.00 179.25 179.65 3n9i h VAL 289 N 0.34 1.23 -0.45 0.00 2.07 -0.91 -1.46 116.25 117.07 3n9i h VAL 289 Ca 0.10 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3n9i h VAL 289 Cb 0.21 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3n9i h VAL 289 CO -0.01 0.28 0.23 0.00 0.02 0.00 0.00 177.57 178.09 3n9i h ALA 290 N 1.02 0.58 -0.23 1.67 0.00 -0.85 -0.89 119.26 120.56 3n9i h ALA 290 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3n9i h ALA 290 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3n9i h ALA 290 CO -0.01 0.12 0.12 -0.44 0.00 0.00 0.00 179.25 179.05 3n9i h ASP 291 N 0.58 0.20 -0.42 0.00 3.32 -1.17 -0.37 116.42 118.56 3n9i h ASP 291 Ca 0.16 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 3n9i h ASP 291 Cb 0.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3n9i h ASP 291 CO -0.02 0.15 -0.06 0.00 -1.72 0.00 0.00 179.24 177.59 3n9i h ALA 292 N 1.11 0.57 -0.11 3.45 0.00 -1.00 -1.60 119.26 121.68 3n9i h ALA 292 Ca 0.09 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3n9i h ALA 292 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n9i h ALA 292 CO -0.05 0.41 -0.33 0.28 0.00 0.00 0.00 179.25 179.55 3n9i h VAL 293 N 0.60 1.39 -0.80 0.00 2.07 -1.14 -2.64 116.25 115.73 3n9i h VAL 293 Ca 0.11 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 66.03 3n9i h VAL 293 Cb 0.57 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 3n9i h VAL 293 CO 0.03 0.49 0.49 -1.28 0.02 0.00 0.00 177.57 177.32 3n9i h SER 294 N -0.01 0.77 -0.06 0.57 0.87 -1.04 -0.15 113.55 114.49 3n9i h SER 294 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3n9i h SER 294 Cb 0.95 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3n9i h SER 294 CO 0.07 0.50 0.04 1.23 -0.53 0.00 0.00 176.83 178.14 3n9i h GLY 295 N 0.90 0.09 0.95 5.77 0.00 -1.24 0.10 103.07 109.64 3n9i h GLY 295 Ca 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 3n9i h GLY 295 CO -0.16 0.03 0.13 1.98 0.00 0.00 0.00 176.54 178.52 3n9i h MET 296 N 0.07 0.32 -0.34 4.80 -1.53 -1.15 -2.43 114.93 114.68 3n9i h MET 296 Ca 0.02 -0.04 -0.14 0.00 -3.44 0.00 0.00 59.70 56.10 3n9i h MET 296 Cb 0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 30.99 3n9i h MET 296 CO -0.00 0.29 -0.36 -0.07 0.14 0.00 0.00 176.91 176.90 3n9i h LEU 297 N 0.27 0.89 -0.97 3.39 3.38 -0.98 -1.82 115.31 119.47 3n9i h LEU 297 Ca 0.08 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3n9i h LEU 297 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3n9i h LEU 297 CO -0.01 1.19 0.64 0.28 0.09 0.00 0.00 178.44 180.62 3n9i h SER 298 N 0.62 1.09 -0.22 -0.43 0.02 -0.77 -0.23 113.55 113.64 3n9i h SER 298 Ca 0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3n9i h SER 298 Cb 0.94 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3n9i h SER 298 CO 0.09 0.77 0.04 -0.08 -1.14 0.00 0.00 176.83 176.51 3n9i h GLU 299 N 1.28 0.36 -0.99 3.45 4.81 -1.32 -2.08 114.58 120.07 3n9i h GLU 299 Ca 0.37 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3n9i h GLU 299 Cb -0.08 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 3n9i h GLU 299 CO -0.10 0.49 0.65 1.25 -0.73 0.00 0.00 179.01 180.57 3n9i h LEU 300 N 0.17 1.09 -0.96 1.64 5.85 -1.06 -1.85 115.31 120.19 3n9i h LEU 300 Ca 0.07 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3n9i h LEU 300 Cb 0.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3n9i h LEU 300 CO 0.00 0.76 -0.38 1.56 -0.34 0.00 0.00 178.44 180.03 3n9i h GLN 301 N 1.27 0.27 -0.26 1.25 4.20 -0.91 0.13 115.11 121.05 3n9i h GLN 301 Ca 0.39 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 3n9i h GLN 301 Cb -0.03 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3n9i h GLN 301 CO -0.12 0.62 -0.05 1.49 -0.67 0.00 0.00 178.83 180.10 3n9i h GLU 302 N 0.23 0.50 -0.47 1.46 4.57 -0.73 -0.53 114.58 119.62 3n9i h GLU 302 Ca 0.02 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3n9i h GLU 302 Cb 0.78 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 3n9i h GLU 302 CO 0.06 0.71 0.30 0.00 -1.18 0.00 0.00 179.01 178.90 3n9i h ARG 303 N 0.26 0.58 -0.13 1.92 3.08 -1.03 -1.65 114.38 117.41 3n9i h ARG 303 Ca 0.07 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3n9i h ARG 303 Cb 0.52 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3n9i h ARG 303 CO 0.02 0.39 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.21 3n9i h TYR 304 N 0.60 -0.45 -0.63 3.04 3.20 -0.54 -2.03 116.97 120.16 3n9i h TYR 304 Ca 0.18 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.16 3n9i h TYR 304 Cb -0.04 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 3n9i h TYR 304 CO -0.05 -0.25 0.28 0.00 -1.64 0.00 0.00 178.16 176.49 3n9i h ARG 305 N -0.22 0.48 -0.81 1.82 3.08 -0.86 0.48 114.38 118.35 3n9i h ARG 305 Ca 0.10 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3n9i h ARG 305 Cb 0.36 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3n9i h ARG 305 CO -0.26 0.32 0.52 1.15 -1.07 0.00 0.00 179.97 180.62 3n9i h THR 306 N 0.49 1.14 -0.10 2.04 2.02 -0.96 -1.91 112.91 115.64 3n9i h THR 306 Ca 0.31 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 3n9i h THR 306 Cb 0.33 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3n9i h THR 306 CO -0.27 0.19 -0.57 1.88 0.37 0.00 0.00 175.52 177.12 3n9i h TYR 307 N 1.02 0.76 0.00 3.16 0.05 -0.87 -3.32 116.97 117.77 3n9i h TYR 307 Ca 0.32 -0.35 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 3n9i h TYR 307 Cb -0.01 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3n9i h TYR 307 CO -0.03 1.14 -0.44 -0.09 -1.05 0.00 0.00 178.16 177.69 3n9i h ARG 308 N 0.17 0.00 -0.01 4.88 9.65 0.29 -2.37 114.38 127.00 3n9i h ARG 308 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3n9i h ARG 308 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3n9i h ARG 308 CO 0.12 0.44 -0.10 0.39 2.80 0.00 0.00 179.97 183.63 3n9i n GLU 309 N -3.97 1.21 -3.52 0.20 1.02 -0.75 -4.63 120.64 110.21 3n9i n GLU 309 Ca -0.02 -0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 56.08 3n9i n GLU 309 Cb 0.47 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 3n9i n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3n9i s ASP 310 N -2.23 6.20 0.24 1.62 -1.08 -0.89 -4.92 116.67 115.61 3n9i s ASP 310 Ca 0.33 -3.15 -0.06 0.00 -0.52 0.00 0.00 52.55 49.15 3n9i s ASP 310 Cb 0.20 -2.03 0.22 0.00 -1.46 0.00 0.00 42.92 39.86 3n9i s ASP 310 CO 0.42 -0.37 1.86 -0.33 0.52 0.00 0.00 175.17 177.26 3n9i h GLU 311 N 6.93 1.24 -0.68 4.34 3.07 -1.82 -1.47 114.58 126.20 3n9i h GLU 311 Ca 0.10 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3n9i h GLU 311 Cb 0.93 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 3n9i h GLU 311 CO 0.80 0.91 0.15 0.00 -1.40 0.00 0.00 179.01 179.47 3n9i h ALA 312 N 1.28 0.98 -0.38 3.43 0.00 -1.96 -0.95 119.26 121.67 3n9i h ALA 312 Ca 0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3n9i h ALA 312 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3n9i h ALA 312 CO -0.05 0.65 -0.06 1.25 0.00 0.00 0.00 179.25 181.05 3n9i h LEU 313 N 1.03 0.71 -0.70 0.00 5.85 -1.81 -0.64 115.31 119.75 3n9i h LEU 313 Ca 0.21 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3n9i h LEU 313 Cb 0.38 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3n9i h LEU 313 CO 0.00 0.88 0.36 -0.07 -0.34 0.00 0.00 178.44 179.28 3n9i h LEU 314 N 0.52 0.89 -0.33 2.25 3.38 -0.93 -0.96 115.31 120.13 3n9i h LEU 314 Ca 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3n9i h LEU 314 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3n9i h LEU 314 CO 0.03 0.76 0.19 1.56 0.09 0.00 0.00 178.44 181.07 3n9i h GLN 315 N 0.97 0.39 -0.63 1.13 1.08 -1.12 -0.42 115.11 116.51 3n9i h GLN 315 Ca 0.24 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 3n9i h GLN 315 Cb 0.08 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 3n9i h GLN 315 CO -0.03 0.26 0.38 -0.44 -0.95 0.00 0.00 178.83 178.04 3n9i h ASP 316 N 0.40 0.61 -0.38 1.46 3.32 -0.67 0.20 116.42 121.36 3n9i h ASP 316 Ca 0.13 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3n9i h ASP 316 Cb -0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3n9i h ASP 316 CO -0.06 0.42 0.07 0.58 -1.72 0.00 0.00 179.24 178.54 3n9i h VAL 317 N 0.74 1.24 -0.47 -1.35 2.07 -0.99 -0.52 116.25 116.97 3n9i h VAL 317 Ca 0.26 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3n9i h VAL 317 Cb 0.04 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3n9i h VAL 317 CO -0.11 0.28 0.12 0.24 0.02 0.00 0.00 177.57 178.12 3n9i h MET 318 N 0.47 0.75 -0.30 1.57 2.86 -0.77 0.68 114.93 120.18 3n9i h MET 318 Ca 0.12 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3n9i h MET 318 Cb 0.35 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3n9i h MET 318 CO 0.01 0.73 0.09 -0.09 1.06 0.00 0.00 176.91 178.71 3n9i h ARG 319 N 0.63 0.47 -0.41 1.72 2.43 -0.84 -1.00 114.38 117.38 3n9i h ARG 319 Ca 0.15 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3n9i h ARG 319 Cb 0.31 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3n9i h ARG 319 CO 0.00 0.52 -0.30 0.93 -1.51 0.00 0.00 179.97 179.61 3n9i h GLU 320 N 0.33 0.90 -0.34 0.20 5.08 -1.03 -1.90 114.58 117.82 3n9i h GLU 320 Ca 0.10 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3n9i h GLU 320 Cb 0.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3n9i h GLU 320 CO -0.00 1.07 0.15 0.78 -1.00 0.00 0.00 179.01 180.01 3n9i h GLY 321 N 0.88 0.54 1.29 -3.84 0.00 -0.78 -1.72 103.07 99.44 3n9i h GLY 321 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3n9i h GLY 321 CO 0.08 0.26 0.01 0.00 0.00 0.00 0.00 176.54 176.89 3n9i h ALA 322 N 1.00 1.05 -0.53 3.60 0.00 -1.14 -0.43 119.26 122.82 3n9i h ALA 322 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3n9i h ALA 322 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3n9i h ALA 322 CO -0.01 0.59 0.19 0.00 0.00 0.00 0.00 179.25 180.02 3n9i h ALA 323 N 1.21 0.69 -0.41 0.00 0.00 -1.18 0.15 119.26 119.72 3n9i h ALA 323 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3n9i h ALA 323 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3n9i h ALA 323 CO 0.02 0.33 0.24 0.87 0.00 0.00 0.00 179.25 180.72 3n9i h LYS 324 N 0.73 0.56 -0.22 0.00 1.57 -0.92 -1.85 116.57 116.44 3n9i h LYS 324 Ca 0.17 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3n9i h LYS 324 Cb 0.24 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3n9i h LYS 324 CO -0.01 0.43 -0.04 0.00 -0.57 0.00 0.00 179.45 179.26 3n9i h ALA 325 N 1.11 0.31 -0.65 3.86 0.00 -0.98 -3.00 119.26 119.90 3n9i h ALA 325 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3n9i h ALA 325 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3n9i h ALA 325 CO -0.03 0.07 0.38 -0.09 0.00 0.00 0.00 179.25 179.59 3n9i h ARG 326 N 0.16 0.89 -0.19 0.00 2.43 -0.54 -0.12 114.38 117.01 3n9i h ARG 326 Ca 0.06 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3n9i h ARG 326 Cb 0.48 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3n9i h ARG 326 CO 0.02 0.63 -0.10 0.00 -1.51 0.00 0.00 179.97 179.01 3n9i h ALA 327 N 1.52 1.47 0.10 2.80 0.00 -1.27 0.11 119.26 123.99 3n9i h ALA 327 Ca 0.23 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3n9i h ALA 327 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.69 3n9i h ALA 327 CO -0.04 0.37 -0.67 0.00 0.00 0.00 0.00 179.25 178.91 3n9i h ARG 328 N 0.29 0.28 -0.68 0.00 3.08 -1.29 -3.35 114.38 112.71 3n9i h ARG 328 Ca 0.06 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3n9i h ARG 328 Cb 0.36 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3n9i h ARG 328 CO 0.02 1.18 0.34 0.00 -1.07 0.00 0.00 179.97 180.44 3n9i h ALA 329 N 0.12 0.88 -0.10 0.04 0.00 -0.85 -2.57 119.26 116.78 3n9i h ALA 329 Ca -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3n9i h ALA 329 Cb 1.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3n9i h ALA 329 CO 0.13 0.44 -0.19 0.37 0.00 0.00 0.00 179.25 180.00 3n9i h GLN 330 N 0.95 0.17 -0.31 0.00 5.75 -1.14 -0.73 115.11 119.80 3n9i h GLN 330 Ca 0.24 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3n9i h GLN 330 Cb 0.11 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3n9i h GLN 330 CO -0.03 0.36 0.20 0.28 -2.65 0.00 0.00 178.83 176.98 3n9i h VAL 331 N 0.16 1.09 -0.27 2.39 2.07 -1.58 -1.28 116.25 118.82 3n9i h VAL 331 Ca 0.03 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3n9i h VAL 331 Cb 0.43 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3n9i h VAL 331 CO 0.03 0.09 -0.17 0.74 0.02 0.00 0.00 177.57 178.28 3n9i h THR 332 N 0.40 1.30 -0.75 2.57 2.02 -1.40 -2.75 112.91 114.30 3n9i h THR 332 Ca 0.11 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 3n9i h THR 332 Cb -0.02 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3n9i h THR 332 CO -0.02 0.41 0.36 0.25 0.37 0.00 0.00 175.52 176.88 3n9i h LEU 333 N 0.33 0.99 -0.95 2.58 5.85 -1.10 -1.34 115.31 121.68 3n9i h LEU 333 Ca 0.06 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3n9i h LEU 333 Cb 0.70 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3n9i h LEU 333 CO 0.05 0.85 0.61 0.00 -0.34 0.00 0.00 178.44 179.61 3n9i h ALA 334 N 1.18 1.27 -0.70 1.25 0.00 -1.22 -0.13 119.26 120.90 3n9i h ALA 334 Ca 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3n9i h ALA 334 Cb 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3n9i h ALA 334 CO -0.03 0.46 0.16 0.87 0.00 0.00 0.00 179.25 180.70 3n9i h LYS 335 N 1.16 1.13 -0.02 0.00 1.57 -1.09 -0.25 116.57 119.06 3n9i h LYS 335 Ca 0.39 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3n9i h LYS 335 Cb 0.05 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3n9i h LYS 335 CO -0.14 1.00 0.00 0.28 -0.57 0.00 0.00 179.45 180.02 3n9i h VAL 336 N 1.06 1.22 -0.74 0.50 2.07 -0.58 -1.61 116.25 118.16 3n9i h VAL 336 Ca 0.22 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3n9i h VAL 336 Cb 0.39 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3n9i h VAL 336 CO 0.00 0.17 0.34 1.88 0.02 0.00 0.00 177.57 179.99 3n9i h TYR 337 N -0.23 1.08 0.04 1.57 -1.99 -1.01 -1.58 116.97 114.85 3n9i h TYR 337 Ca 0.01 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 3n9i h TYR 337 Cb 0.28 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.67 3n9i h TYR 337 CO 0.02 0.79 -0.02 1.49 -0.00 0.00 0.00 178.16 180.44 3n9i h GLU 338 N 1.06 -0.06 -0.94 4.88 4.57 -0.97 -1.84 114.58 121.28 3n9i h GLU 338 Ca 0.26 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.47 3n9i h GLU 338 Cb 0.14 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 3n9i h GLU 338 CO -0.03 0.01 0.62 0.00 -1.18 0.00 0.00 179.01 178.43 3n9i h ALA 339 N 0.85 1.23 0.00 2.92 0.00 -0.99 -2.69 119.26 120.58 3n9i h ALA 339 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3n9i h ALA 339 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3n9i h ALA 339 CO 0.01 0.51 -0.62 0.82 0.00 0.00 0.00 179.25 179.98 3n9i h ILE 340 N 1.21 1.43 0.00 0.00 2.04 -1.20 -3.47 117.51 117.51 3n9i h ILE 340 Ca 0.37 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3n9i h ILE 340 Cb -0.03 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3n9i h ILE 340 CO -0.11 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.25 3n9i n GLY 341 N 0.27 1.50 3.78 5.37 0.00 -0.95 -5.10 105.19 110.05 3n9i n GLY 341 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.24 0.01 1.61 0.08 -0.73 -4.98 117.98 115.21 3n9i s PHE 342 Ca 0.00 1.63 -0.30 0.00 0.12 0.00 0.00 56.93 58.38 3n9i s PHE 342 Cb 0.00 -3.13 -0.07 0.00 -0.57 0.00 0.00 43.02 39.25 3n9i s PHE 342 CO 0.00 -0.67 1.60 0.08 -0.10 0.00 0.00 175.22 176.13 3n9i s VAL 343 N -1.68 3.38 0.43 -0.44 1.01 -1.26 -4.64 120.40 117.20 3n9i s VAL 343 Ca 0.59 0.70 -0.26 0.00 0.00 0.00 0.00 61.98 63.00 3n9i s VAL 343 Cb -0.22 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3n9i s VAL 343 CO 0.27 -0.02 1.39 0.00 0.00 0.00 0.00 175.10 176.74 3n9i s ALA 344 N 3.10 3.29 0.22 5.51 0.00 -1.26 -4.93 121.76 127.68 3n9i s ALA 344 Ca 0.72 1.39 -0.32 0.00 0.00 0.00 0.00 51.96 53.75 3n9i s ALA 344 Cb -0.36 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.08 3n9i s ALA 344 CO 0.30 -1.04 1.64 0.94 0.00 0.00 0.00 175.76 177.59 3n9i n GLN 345 N -0.00 2.56 0.00 0.00 7.27 -1.26 -5.22 117.38 120.73 3n9i n GLN 345 Ca 0.04 0.92 0.06 0.00 0.07 0.00 0.00 57.00 58.09 3n9i n GLN 345 Cb 0.42 -2.72 0.33 0.00 2.41 0.00 0.00 30.24 30.68 3n9i n GLN 345 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83