#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixm s THR 8 N 0.00 4.70 -0.20 3.45 2.01 -1.26 -4.58 115.64 119.77 3ixm s THR 8 Ca 0.00 1.73 -0.07 0.00 0.31 0.00 0.00 61.69 63.66 3ixm s THR 8 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3ixm s THR 8 CO 0.00 0.34 0.05 -0.63 -0.69 0.00 0.00 174.62 173.69 3ixm s ILE 9 N 0.03 4.49 -0.12 1.82 1.01 -0.75 -0.14 121.20 127.54 3ixm s ILE 9 Ca 0.41 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 3ixm s ILE 9 Cb -0.21 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3ixm s ILE 9 CO 0.24 0.43 0.17 -0.83 0.00 0.00 0.00 174.94 174.95 3ixm s GLY 10 N 0.73 2.18 -0.06 6.18 0.00 -0.30 -1.10 107.32 114.95 3ixm s GLY 10 Ca 0.02 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3ixm s GLY 10 CO 0.02 -0.28 -0.12 1.06 0.00 0.00 0.00 173.10 173.78 3ixm s MET 11 N -0.91 1.58 -0.17 2.90 -1.94 0.10 -0.78 119.30 120.09 3ixm s MET 11 Ca 0.15 -0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 53.60 3ixm s MET 11 Cb -0.12 -1.33 -0.05 0.00 2.01 0.00 0.00 34.83 35.34 3ixm s MET 11 CO 0.04 0.05 0.30 0.42 -0.01 0.00 0.00 175.02 175.82 3ixm s ILE 12 N 0.58 5.30 0.18 2.53 1.01 0.29 -1.03 121.20 130.06 3ixm s ILE 12 Ca -0.12 0.55 0.09 0.00 0.00 0.00 0.00 60.65 61.17 3ixm s ILE 12 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3ixm s ILE 12 CO 0.03 0.37 -0.20 0.68 0.00 0.00 0.00 174.94 175.83 3ixm s VAL 13 N 0.59 1.96 0.15 2.92 -7.23 -0.55 -0.04 120.40 118.21 3ixm s VAL 13 Ca 0.16 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 3ixm s VAL 13 Cb -0.13 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.90 3ixm s VAL 13 CO 0.04 -0.28 1.75 -0.65 -0.31 0.00 0.00 175.10 175.66 3ixm h PRO 14 N 3.19 0.27 -7.42 4.82 0.11 -1.88 -0.43 132.00 130.66 3ixm h PRO 14 Ca -0.43 -0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.17 3ixm h PRO 14 Cb 1.21 -0.06 0.10 0.00 0.11 0.00 0.00 31.00 32.35 3ixm h PRO 14 CO 0.51 0.18 0.37 -1.25 -0.21 0.00 0.00 178.00 177.60 3ixm s PRO 15 N -6.16 2.51 0.34 1.05 0.04 -1.26 -1.48 135.00 130.03 3ixm s PRO 15 Ca -0.13 0.62 0.06 0.00 0.04 0.00 0.00 61.00 61.59 3ixm s PRO 15 Cb 0.12 -1.97 0.61 0.00 0.04 0.00 0.00 34.50 33.30 3ixm s PRO 15 CO 0.71 -1.32 1.83 0.00 0.04 0.00 0.00 177.00 178.26 3ixm h ALA 16 N -0.87 1.32 -0.14 8.56 0.00 -1.88 -3.00 119.26 123.25 3ixm h ALA 16 Ca -0.46 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 3ixm h ALA 16 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ixm h ALA 16 CO 0.61 0.46 -0.30 0.00 0.00 0.00 0.00 179.25 180.01 3ixm h ALA 17 N 1.50 1.23 -2.72 0.00 0.00 -1.91 -3.39 119.26 113.97 3ixm h ALA 17 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ixm h ALA 17 Cb 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ixm h ALA 17 CO 0.03 0.51 -0.03 0.41 0.00 0.00 0.00 179.25 180.17 3ixm n GLY 18 N -0.42 0.67 3.73 0.00 0.00 -1.15 -4.67 105.19 103.35 3ixm n GLY 18 Ca -0.01 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 3ixm n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixm s LEU 19 N -2.73 3.93 0.20 0.99 1.43 -1.26 -4.36 118.68 116.88 3ixm s LEU 19 Ca 0.01 0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.04 3ixm s LEU 19 Cb -0.00 -1.95 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 3ixm s LEU 19 CO 0.03 0.33 1.55 -0.69 0.23 0.00 0.00 176.35 177.80 3ixm s VAL 20 N -0.55 2.52 0.34 -1.59 1.01 -1.26 -4.91 120.40 115.95 3ixm s VAL 20 Ca 0.11 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 3ixm s VAL 20 Cb -0.12 -3.25 -0.13 0.00 0.00 0.00 0.00 36.38 32.89 3ixm s VAL 20 CO 0.02 0.04 1.24 -2.65 0.00 0.00 0.00 175.10 173.75 3ixm n PRO 21 N 3.41 1.98 0.07 2.72 -0.02 -1.26 -4.92 135.00 136.97 3ixm n PRO 21 Ca 0.12 0.69 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 3ixm n PRO 21 Cb 0.38 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3ixm n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixm h ALA 22 N 2.42 0.58 -1.79 3.55 0.00 -1.97 -3.39 119.26 118.66 3ixm h ALA 22 Ca -0.45 -0.65 -0.62 0.00 0.00 0.00 0.00 54.91 53.19 3ixm h ALA 22 Cb 1.29 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 3ixm h ALA 22 CO 0.62 0.82 0.52 0.34 0.00 0.00 0.00 179.25 181.55 3ixm s ASP 23 N -6.96 6.28 0.00 0.00 3.68 -1.26 -3.12 116.67 115.29 3ixm s ASP 23 Ca -0.04 -0.57 0.00 0.00 2.13 0.00 0.00 52.55 54.07 3ixm s ASP 23 Cb 0.10 -2.42 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3ixm s ASP 23 CO 0.83 -1.26 0.00 0.61 0.13 0.00 0.00 175.17 175.48 3ixm n GLY 24 N 5.18 1.49 0.26 2.66 0.00 -1.26 -3.10 105.19 110.43 3ixm n GLY 24 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3ixm n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixm h ALA 25 N 0.00 1.15 -1.11 4.61 0.00 -1.74 -1.86 119.26 120.30 3ixm h ALA 25 Ca 0.00 -0.29 0.32 0.00 0.00 0.00 0.00 54.91 54.94 3ixm h ALA 25 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3ixm h ALA 25 CO 0.00 0.54 0.78 -0.09 0.00 0.00 0.00 179.25 180.48 3ixm h ARG 26 N 0.56 0.07 0.00 0.00 1.12 -1.94 -0.92 114.38 113.27 3ixm h ARG 26 Ca 0.10 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.92 3ixm h ARG 26 Cb 0.53 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 3ixm h ARG 26 CO 0.03 0.05 -0.23 -0.07 -3.11 0.00 0.00 179.97 176.64 3ixm h LEU 27 N 0.08 0.00 -5.73 3.80 3.38 -1.72 -3.35 115.31 111.76 3ixm h LEU 27 Ca 0.55 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 58.00 3ixm h LEU 27 Cb 2.03 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.37 3ixm h LEU 27 CO -0.06 0.23 -0.99 -1.22 0.09 0.00 0.00 178.44 176.49 3ixm n TYR 28 N -4.16 1.66 0.30 1.13 4.02 -0.35 -1.83 117.16 117.93 3ixm n TYR 28 Ca -0.02 -3.89 0.18 0.00 -0.01 0.00 0.00 57.90 54.16 3ixm n TYR 28 Cb 0.29 -0.45 0.90 0.00 -0.02 0.00 0.00 39.34 40.07 3ixm n TYR 28 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ixm h PRO 29 N 3.00 0.00 -0.00 -0.72 0.13 -1.69 -2.23 132.00 130.48 3ixm h PRO 29 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ixm h PRO 29 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3ixm h PRO 29 CO 0.62 0.03 -0.52 -0.25 -0.23 0.00 0.00 178.00 177.65 3ixm n ASP 30 N -3.21 0.63 -4.87 1.44 8.00 -1.26 -4.96 116.55 112.32 3ixm n ASP 30 Ca -0.01 -0.42 -0.35 0.00 0.71 0.00 0.00 54.79 54.72 3ixm n ASP 30 Cb 0.20 0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 3ixm n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ixm s LEU 31 N -2.93 4.36 -0.05 0.64 1.43 -0.84 -5.05 118.68 116.23 3ixm s LEU 31 Ca 0.12 0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 53.74 3ixm s LEU 31 Cb 0.18 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3ixm s LEU 31 CO 0.69 0.19 0.88 -2.16 0.23 0.00 0.00 176.35 176.19 3ixm s PRO 32 N -1.82 4.48 -0.07 1.29 0.04 -1.26 -5.04 135.00 132.62 3ixm s PRO 32 Ca 0.32 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3ixm s PRO 32 Cb -0.14 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3ixm s PRO 32 CO 0.17 -0.08 -0.17 -0.06 0.04 0.00 0.00 177.00 176.91 3ixm s PHE 33 N 1.20 1.81 -0.03 0.56 0.40 -1.26 -1.82 117.98 118.83 3ixm s PHE 33 Ca 0.45 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 3ixm s PHE 33 Cb -0.19 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 3ixm s PHE 33 CO 0.22 -0.27 -0.20 0.42 0.70 0.00 0.00 175.22 176.09 3ixm s ILE 34 N 0.38 1.60 0.16 0.64 1.01 -0.26 -4.96 121.20 119.77 3ixm s ILE 34 Ca -0.12 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.80 3ixm s ILE 34 Cb -0.15 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3ixm s ILE 34 CO 0.04 0.45 -0.25 0.00 0.00 0.00 0.00 174.94 175.19 3ixm s ALA 35 N -0.24 2.41 -0.05 9.38 0.00 -1.26 0.00 121.76 132.01 3ixm s ALA 35 Ca 0.02 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.44 3ixm s ALA 35 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3ixm s ALA 35 CO 0.01 0.46 -0.05 0.45 0.00 0.00 0.00 175.76 176.62 3ixm s SER 36 N -2.40 1.07 -0.14 0.00 0.15 -0.20 -4.76 113.70 107.43 3ixm s SER 36 Ca 0.17 -0.15 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 3ixm s SER 36 Cb -0.09 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 3ixm s SER 36 CO 0.08 -0.04 0.28 -0.83 1.20 0.00 0.00 173.24 173.93 3ixm s GLY 37 N 0.90 2.23 0.19 9.45 0.00 -1.26 -1.48 107.32 117.34 3ixm s GLY 37 Ca -0.11 -0.46 0.03 0.00 0.00 0.00 0.00 44.72 44.18 3ixm s GLY 37 CO 0.00 0.28 1.44 1.41 0.00 0.00 0.00 173.10 176.23 3ixm h LEU 38 N 6.21 0.26 -1.35 0.66 3.38 -0.94 -3.44 115.31 120.09 3ixm h LEU 38 Ca -0.44 -0.19 -0.30 0.00 0.09 0.00 0.00 57.88 57.04 3ixm h LEU 38 Cb 1.18 -0.08 0.13 0.00 0.09 0.00 0.00 40.66 41.98 3ixm h LEU 38 CO 0.72 0.95 -0.61 0.61 0.09 0.00 0.00 178.44 180.19 3ixm n GLY 39 N 0.68 -0.26 0.31 0.83 0.00 -0.55 -4.84 105.19 101.35 3ixm n GLY 39 Ca -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 3ixm n GLY 39 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ixm h LEU 40 N -1.88 0.97 0.00 0.99 3.38 -1.77 -3.46 115.31 113.54 3ixm h LEU 40 Ca -0.49 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3ixm h LEU 40 Cb 1.29 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3ixm h LEU 40 CO 0.44 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.56 3ixm n GLY 41 N -0.61 2.51 3.22 0.83 0.00 -1.26 -4.92 105.19 104.95 3ixm n GLY 41 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3ixm n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ixm s SER 42 N -0.53 0.88 0.00 1.61 0.15 -1.26 -5.02 113.70 109.54 3ixm s SER 42 Ca 0.00 -1.23 0.14 0.00 0.70 0.00 0.00 55.95 55.56 3ixm s SER 42 Cb 0.00 0.19 0.12 0.00 -1.71 0.00 0.00 66.02 64.62 3ixm s SER 42 CO 0.00 -0.66 0.94 0.52 1.20 0.00 0.00 173.24 175.25 3ixm n VAL 43 N -0.23 0.03 -3.19 4.45 0.31 -1.26 -4.65 118.33 113.79 3ixm n VAL 43 Ca -0.05 -0.52 -0.22 0.00 -0.01 0.00 0.00 64.34 63.54 3ixm n VAL 43 Cb 0.64 1.26 -0.05 0.00 -0.91 0.00 0.00 33.84 34.77 3ixm n VAL 43 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ixm n THR 44 N 0.76 0.07 -2.03 2.52 -2.24 -1.26 -2.09 114.28 110.01 3ixm n THR 44 Ca 0.08 -4.45 -0.31 0.00 -2.27 0.00 0.00 64.05 57.10 3ixm n THR 44 Cb 0.34 -1.33 -0.00 0.00 -2.10 0.00 0.00 70.33 67.23 3ixm n THR 44 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ixm s PRO 45 N -1.92 3.70 0.50 -0.78 0.04 -1.26 -5.07 135.00 130.21 3ixm s PRO 45 Ca 0.38 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 3ixm s PRO 45 Cb 0.24 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 3ixm s PRO 45 CO -0.09 -0.49 1.00 -1.21 0.04 0.00 0.00 177.00 176.25 3ixm s GLU 46 N -4.83 3.88 0.00 4.56 2.02 -1.26 -4.80 118.70 118.27 3ixm s GLU 46 Ca 0.56 1.15 0.00 0.00 0.02 0.00 0.00 54.97 56.70 3ixm s GLU 46 Cb -0.11 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.00 3ixm s GLU 46 CO 0.47 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.82 3ixm n GLY 47 N -0.88 0.74 0.38 -1.39 0.00 -1.26 -4.80 105.19 97.98 3ixm n GLY 47 Ca 0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 3ixm n GLY 47 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ixm n TYR 48 N 0.00 -0.25 -0.05 1.61 9.36 -1.26 -0.53 117.16 126.04 3ixm n TYR 48 Ca 0.00 1.17 -0.12 0.00 3.32 0.00 0.00 57.90 62.28 3ixm n TYR 48 Cb 0.00 -0.68 -0.06 0.00 -0.63 0.00 0.00 39.34 37.97 3ixm n TYR 48 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3ixm h ASP 49 N 0.00 0.26 -0.80 2.98 3.32 -1.99 -2.54 116.42 117.64 3ixm h ASP 49 Ca 0.22 -0.27 0.10 0.00 0.02 0.00 0.00 57.03 57.09 3ixm h ASP 49 Cb 0.45 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 3ixm h ASP 49 CO -0.91 0.47 0.44 0.00 -1.72 0.00 0.00 179.24 177.52 3ixm h ALA 50 N 0.80 1.15 0.20 3.45 0.00 -1.75 0.82 119.26 123.92 3ixm h ALA 50 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ixm h ALA 50 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ixm h ALA 50 CO 0.00 0.04 -0.10 0.28 0.00 0.00 0.00 179.25 179.48 3ixm h VAL 51 N 0.73 0.87 -0.65 0.00 2.07 -0.77 -0.38 116.25 118.11 3ixm h VAL 51 Ca 0.40 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3ixm h VAL 51 Cb 0.40 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3ixm h VAL 51 CO -0.27 0.08 0.31 0.40 0.02 0.00 0.00 177.57 178.12 3ixm h ILE 52 N -0.46 0.86 -0.33 4.57 1.08 -1.20 0.15 117.51 122.18 3ixm h ILE 52 Ca -0.03 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 3ixm h ILE 52 Cb 0.35 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3ixm h ILE 52 CO 0.05 0.10 0.17 -0.33 -0.69 0.00 0.00 178.15 177.45 3ixm h GLU 53 N 0.55 0.34 -0.47 2.37 4.39 -0.65 0.86 114.58 121.97 3ixm h GLU 53 Ca 0.32 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.88 3ixm h GLU 53 Cb 0.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3ixm h GLU 53 CO -0.25 0.23 -0.18 0.77 -1.16 0.00 0.00 179.01 178.42 3ixm h SER 54 N 0.35 0.94 -0.39 1.42 0.02 -0.68 -1.13 113.55 114.10 3ixm h SER 54 Ca 0.14 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3ixm h SER 54 Cb 0.04 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3ixm h SER 54 CO -0.09 1.10 0.19 0.58 -1.14 0.00 0.00 176.83 177.47 3ixm h VAL 55 N 0.82 1.17 -0.15 2.27 2.07 -0.70 0.22 116.25 121.94 3ixm h VAL 55 Ca 0.12 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3ixm h VAL 55 Cb 0.73 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3ixm h VAL 55 CO 0.06 0.18 0.00 0.58 0.02 0.00 0.00 177.57 178.41 3ixm h VAL 56 N 0.48 0.90 -0.51 2.57 2.07 -0.71 0.72 116.25 121.77 3ixm h VAL 56 Ca 0.13 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.73 3ixm h VAL 56 Cb 0.11 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3ixm h VAL 56 CO -0.02 0.01 0.00 -0.78 0.02 0.00 0.00 177.57 176.80 3ixm h ASP 57 N 0.06 -0.22 0.40 0.57 3.58 -0.91 -0.58 116.42 119.33 3ixm h ASP 57 Ca 0.07 0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 3ixm h ASP 57 Cb 0.08 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 3ixm h ASP 57 CO -0.11 -0.07 -0.59 0.45 -2.88 0.00 0.00 179.24 176.03 3ixm h HIS 58 N 0.12 0.24 -0.68 0.28 3.86 -0.67 -1.44 115.15 116.86 3ixm h HIS 58 Ca 0.26 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3ixm h HIS 58 Cb 0.39 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 3ixm h HIS 58 CO -0.32 0.74 0.36 0.00 0.86 0.00 0.00 177.93 179.57 3ixm h ALA 59 N 1.24 0.88 -0.56 2.45 0.00 -0.34 -1.87 119.26 121.06 3ixm h ALA 59 Ca -0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ixm h ALA 59 Cb 1.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ixm h ALA 59 CO 0.09 0.40 0.08 0.00 0.00 0.00 0.00 179.25 179.82 3ixm h ARG 60 N 0.94 0.90 -0.78 0.00 3.08 -0.85 -0.18 114.38 117.48 3ixm h ARG 60 Ca 0.24 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3ixm h ARG 60 Cb 0.06 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3ixm h ARG 60 CO -0.04 0.85 0.38 0.00 -1.07 0.00 0.00 179.97 180.09 3ixm h ARG 61 N 0.85 1.11 -0.35 0.04 3.08 -1.02 -1.60 114.38 116.48 3ixm h ARG 61 Ca 0.17 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3ixm h ARG 61 Cb 0.40 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3ixm h ARG 61 CO 0.01 0.84 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.28 3ixm h LEU 62 N 1.10 0.93 -0.64 3.04 3.38 -0.77 -2.46 115.31 119.88 3ixm h LEU 62 Ca 0.27 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3ixm h LEU 62 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3ixm h LEU 62 CO -0.04 1.21 0.42 -0.61 0.09 0.00 0.00 178.44 179.51 3ixm h GLN 63 N 0.70 0.82 0.00 1.13 -0.00 -0.75 -1.88 115.11 115.13 3ixm h GLN 63 Ca 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3ixm h GLN 63 Cb 0.99 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.28 3ixm h GLN 63 CO 0.10 0.54 -0.09 0.87 0.00 0.00 0.00 178.83 180.24 3ixm h LYS 64 N 0.84 0.00 -0.10 1.69 1.57 -1.14 -1.32 116.57 118.11 3ixm h LYS 64 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ixm h LYS 64 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3ixm h LYS 64 CO -0.07 0.09 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 3ixm n GLN 65 N -3.61 1.47 -0.28 3.15 6.02 -0.75 -4.94 117.38 118.44 3ixm n GLN 65 Ca -0.02 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 3ixm n GLN 65 Cb 0.21 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3ixm n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixm n GLY 66 N 1.02 0.82 3.66 1.08 0.00 -0.50 -5.05 105.19 106.22 3ixm n GLY 66 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3ixm n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixm n ALA 67 N -1.15 0.85 0.05 4.61 0.00 -0.94 -4.52 120.51 119.40 3ixm n ALA 67 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.87 3ixm n ALA 67 Cb 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.18 3ixm n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ixm n ALA 68 N 0.85 2.18 -2.63 0.00 0.00 0.80 -4.75 120.51 116.95 3ixm n ALA 68 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 3ixm n ALA 68 Cb 0.33 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 3ixm n ALA 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ixm s VAL 69 N -3.10 0.09 -0.06 0.00 -7.23 -1.24 -4.28 120.40 104.58 3ixm s VAL 69 Ca -0.03 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3ixm s VAL 69 Cb 0.09 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.34 3ixm s VAL 69 CO 0.81 -0.42 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.35 3ixm s VAL 70 N -3.94 1.30 -0.10 1.32 1.01 -0.96 -1.15 120.40 117.88 3ixm s VAL 70 Ca 0.14 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3ixm s VAL 70 Cb 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3ixm s VAL 70 CO -0.03 0.39 -0.17 -0.55 0.00 0.00 0.00 175.10 174.73 3ixm s SER 71 N 0.38 3.72 -0.58 3.32 0.15 0.04 -1.26 113.70 119.47 3ixm s SER 71 Ca -0.10 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 55.89 3ixm s SER 71 Cb -0.14 -1.34 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 3ixm s SER 71 CO 0.03 0.21 1.30 -0.22 1.20 0.00 0.00 173.24 175.76 3ixm s LEU 72 N 0.09 3.41 -1.12 3.45 2.96 -0.37 -0.55 118.68 126.54 3ixm s LEU 72 Ca -0.08 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3ixm s LEU 72 Cb -0.15 -3.08 0.27 0.00 0.50 0.00 0.00 46.19 43.73 3ixm s LEU 72 CO 0.05 -1.61 1.80 0.23 -1.32 0.00 0.00 176.35 175.50 3ixm n MET 73 N 8.61 4.77 -3.66 1.98 2.81 0.95 -0.98 117.12 131.60 3ixm n MET 73 Ca 0.10 -4.31 -0.09 0.00 -1.81 0.00 0.00 57.70 51.59 3ixm n MET 73 Cb 0.49 -2.56 -0.10 0.00 -0.71 0.00 0.00 33.22 30.34 3ixm n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ixm h THR 75 N 6.13 0.22 -0.55 0.00 2.02 -1.90 -3.08 112.91 115.75 3ixm h THR 75 Ca -0.17 -0.32 0.11 0.00 0.77 0.00 0.00 66.41 66.79 3ixm h THR 75 Cb 1.11 0.29 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 3ixm h THR 75 CO 0.14 0.03 0.04 0.28 0.37 0.00 0.00 175.52 176.38 3ixm h SER 76 N -1.09 -0.15 0.08 4.18 0.02 -1.98 -0.03 113.55 114.59 3ixm h SER 76 Ca -0.08 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3ixm h SER 76 Cb 0.68 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 3ixm h SER 76 CO 0.14 -0.05 -0.10 0.25 -1.14 0.00 0.00 176.83 175.93 3ixm h LEU 77 N 0.16 0.04 0.00 5.07 6.46 -1.53 -0.40 115.31 125.11 3ixm h LEU 77 Ca 0.28 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 3ixm h LEU 77 Cb 0.43 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3ixm h LEU 77 CO -0.43 0.14 -0.70 -1.54 -0.62 0.00 0.00 178.44 175.29 3ixm n SER 78 N -4.40 0.61 -0.00 1.25 3.41 -0.14 -4.36 113.62 109.99 3ixm n SER 78 Ca -0.02 -0.19 0.03 0.00 -0.26 0.00 0.00 58.87 58.43 3ixm n SER 78 Cb 0.18 0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 3ixm n SER 78 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3ixm n PHE 79 N -1.78 0.00 0.35 7.33 1.16 -0.52 -3.84 117.46 120.16 3ixm n PHE 79 Ca 0.04 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.76 3ixm n PHE 79 Cb 0.39 -0.04 0.56 0.00 -1.61 0.00 0.00 39.48 38.78 3ixm n PHE 79 CO 0.00 0.00 0.00 0.10 -1.87 0.00 0.00 176.76 174.99 3ixm h TYR 80 N 0.00 0.00 -0.13 2.97 -0.00 -1.29 -1.69 116.97 116.83 3ixm h TYR 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ixm h TYR 80 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 3ixm h TYR 80 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.70 3ixm n ARG 81 N -2.64 2.13 -0.08 0.10 1.74 -1.26 -4.94 116.66 111.71 3ixm n ARG 81 Ca 0.02 -2.68 0.01 0.00 -0.77 0.00 0.00 57.85 54.43 3ixm n ARG 81 Cb 0.28 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3ixm n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ixm n GLY 82 N -0.94 -2.19 0.33 -0.13 0.00 -0.64 -4.06 105.19 97.57 3ixm n GLY 82 Ca 0.18 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.73 3ixm n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixm h ALA 83 N -0.09 1.50 -0.26 4.61 0.00 -1.88 -2.12 119.26 121.02 3ixm h ALA 83 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ixm h ALA 83 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ixm h ALA 83 CO 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.64 3ixm h ALA 84 N 1.57 1.45 0.24 0.00 0.00 -1.98 -0.90 119.26 119.64 3ixm h ALA 84 Ca 0.22 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 3ixm h ALA 84 Cb -0.04 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ixm h ALA 84 CO -0.04 0.39 -1.52 0.35 0.00 0.00 0.00 179.25 178.43 3ixm h PHE 85 N 0.38 0.93 -0.54 0.00 3.57 -1.53 -1.22 116.94 118.54 3ixm h PHE 85 Ca 0.08 -0.68 0.06 0.00 3.53 0.00 0.00 57.97 60.96 3ixm h PHE 85 Cb 0.33 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 3ixm h PHE 85 CO 0.01 1.57 0.24 -0.97 -2.23 0.00 0.00 178.31 176.93 3ixm h ASN 86 N 0.14 0.30 -0.39 0.41 -1.24 -1.31 0.33 115.58 113.82 3ixm h ASN 86 Ca -0.27 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 3ixm h ASN 86 Cb 2.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.19 3ixm h ASN 86 CO 0.26 0.20 0.20 0.00 -1.29 0.00 0.00 177.43 176.80 3ixm h ALA 87 N 1.33 0.51 -0.77 1.57 0.00 -1.23 -2.48 119.26 118.18 3ixm h ALA 87 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ixm h ALA 87 Cb 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3ixm h ALA 87 CO -0.21 0.05 0.39 0.00 0.00 0.00 0.00 179.25 179.48 3ixm h ALA 88 N 1.06 0.99 -0.22 0.00 0.00 -0.68 -0.35 119.26 120.05 3ixm h ALA 88 Ca 0.14 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ixm h ALA 88 Cb 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3ixm h ALA 88 CO -0.02 0.53 -0.05 -0.07 0.00 0.00 0.00 179.25 179.65 3ixm h LEU 89 N 1.08 -0.19 -0.30 0.00 3.38 -0.85 -1.14 115.31 117.29 3ixm h LEU 89 Ca 0.27 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3ixm h LEU 89 Cb 0.08 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ixm h LEU 89 CO -0.04 -0.07 0.10 0.74 0.09 0.00 0.00 178.44 179.26 3ixm h THR 90 N 0.01 1.20 -0.25 0.22 2.02 -0.92 -1.27 112.91 113.91 3ixm h THR 90 Ca 0.10 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3ixm h THR 90 Cb 0.16 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ixm h THR 90 CO -0.22 0.21 0.07 0.58 0.37 0.00 0.00 175.52 176.53 3ixm h VAL 91 N 0.32 1.21 -0.36 3.16 2.07 -0.99 -1.62 116.25 120.04 3ixm h VAL 91 Ca 0.10 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ixm h VAL 91 Cb 0.24 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ixm h VAL 91 CO -0.00 0.22 0.23 0.00 0.02 0.00 0.00 177.57 178.04 3ixm h ALA 92 N 0.89 0.46 -0.08 1.67 0.00 -1.12 -1.09 119.26 120.00 3ixm h ALA 92 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ixm h ALA 92 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ixm h ALA 92 CO -0.00 -0.09 -0.01 0.52 0.00 0.00 0.00 179.25 179.67 3ixm h MET 93 N 0.48 0.01 -0.84 0.00 2.86 -1.17 -1.86 114.93 114.41 3ixm h MET 93 Ca 0.13 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3ixm h MET 93 Cb -0.05 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3ixm h MET 93 CO -0.04 0.01 0.45 -0.09 1.06 0.00 0.00 176.91 178.30 3ixm h ARG 94 N 0.02 1.19 -0.47 1.72 2.43 -0.98 -1.06 114.38 117.22 3ixm h ARG 94 Ca 0.04 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 3ixm h ARG 94 Cb 0.05 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3ixm h ARG 94 CO -0.07 0.88 -0.21 0.93 -1.51 0.00 0.00 179.97 179.99 3ixm h GLU 95 N 1.18 0.97 0.00 0.20 4.39 -1.18 0.24 114.58 120.37 3ixm h GLU 95 Ca 0.30 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3ixm h GLU 95 Cb 0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3ixm h GLU 95 CO -0.05 1.08 -0.43 0.00 -1.16 0.00 0.00 179.01 178.45 3ixm h ALA 96 N 0.91 1.04 0.00 3.43 0.00 -1.01 -3.35 119.26 120.28 3ixm h ALA 96 Ca 0.11 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 3ixm h ALA 96 Cb 0.78 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3ixm h ALA 96 CO 0.07 0.54 -1.97 0.25 0.00 0.00 0.00 179.25 178.13 3ixm n THR 97 N -3.67 0.77 -1.21 0.00 -2.24 -0.43 -4.88 114.28 102.63 3ixm n THR 97 Ca -0.01 -0.58 -0.07 0.00 -2.27 0.00 0.00 64.05 61.13 3ixm n THR 97 Cb 0.52 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 3ixm n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixm n GLY 98 N 1.93 0.84 3.77 3.38 0.00 0.81 -5.04 105.19 110.89 3ixm n GLY 98 Ca -0.19 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 3ixm n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixm s LEU 99 N -1.61 3.68 0.21 0.99 1.43 -1.25 -5.07 118.68 117.06 3ixm s LEU 99 Ca 0.00 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 3ixm s LEU 99 Cb 0.00 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 3ixm s LEU 99 CO 0.00 0.05 1.48 -2.84 0.23 0.00 0.00 176.35 175.27 3ixm s PRO 100 N -3.22 4.26 0.16 1.29 0.02 -1.26 -4.46 135.00 131.79 3ixm s PRO 100 Ca 0.31 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.69 3ixm s PRO 100 Cb -0.09 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3ixm s PRO 100 CO 0.22 -0.48 -0.13 0.00 -0.33 0.00 0.00 177.00 176.28 3ixm n THR 102 N -0.07 0.00 -3.98 0.00 5.66 -0.39 -4.97 114.28 110.54 3ixm n THR 102 Ca -0.11 -1.19 -0.08 0.00 -3.05 0.00 0.00 64.05 59.62 3ixm n THR 102 Cb 0.59 0.94 -0.08 0.00 -1.55 0.00 0.00 70.33 70.23 3ixm n THR 102 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ixm s THR 103 N -2.43 0.16 0.46 1.09 -4.23 -1.26 -1.24 115.64 108.19 3ixm s THR 103 Ca 0.19 -1.50 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 3ixm s THR 103 Cb -0.03 -1.53 0.25 0.00 1.34 0.00 0.00 72.50 72.53 3ixm s THR 103 CO 0.14 -0.72 2.07 -0.03 -0.54 0.00 0.00 174.62 175.54 3ixm h MET 104 N 2.89 0.23 -0.34 3.99 4.05 -1.26 -0.43 114.93 124.06 3ixm h MET 104 Ca -0.34 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 58.93 3ixm h MET 104 Cb 1.18 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 3ixm h MET 104 CO 0.59 0.20 -0.31 0.77 0.23 0.00 0.00 176.91 178.39 3ixm h SER 105 N 0.24 0.76 -0.51 1.39 0.02 -1.81 -0.98 113.55 112.66 3ixm h SER 105 Ca 0.06 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 3ixm h SER 105 Cb 0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3ixm h SER 105 CO -0.01 1.02 0.08 0.74 -1.14 0.00 0.00 176.83 177.51 3ixm h THR 106 N 0.63 1.25 -0.51 -2.27 2.02 -1.71 -1.79 112.91 110.52 3ixm h THR 106 Ca 0.07 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.31 3ixm h THR 106 Cb 0.83 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3ixm h THR 106 CO 0.07 0.35 0.31 0.00 0.37 0.00 0.00 175.52 176.62 3ixm h ALA 107 N 1.22 0.65 -0.09 6.16 0.00 -0.66 0.70 119.26 127.24 3ixm h ALA 107 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ixm h ALA 107 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ixm h ALA 107 CO 0.01 0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.61 3ixm h VAL 108 N 0.62 1.09 -0.61 0.00 2.07 -0.86 -0.67 116.25 117.89 3ixm h VAL 108 Ca 0.20 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3ixm h VAL 108 Cb 0.01 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3ixm h VAL 108 CO -0.09 0.08 0.29 -0.07 0.02 0.00 0.00 177.57 177.81 3ixm h LEU 109 N 0.04 0.38 -0.89 2.57 3.38 -0.95 -0.62 115.31 119.22 3ixm h LEU 109 Ca 0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3ixm h LEU 109 Cb 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3ixm h LEU 109 CO -0.00 0.24 0.44 0.78 0.09 0.00 0.00 178.44 179.99 3ixm h ASN 110 N 0.53 1.12 -0.25 -0.43 2.35 -0.54 -1.31 115.58 117.05 3ixm h ASN 110 Ca 0.29 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 3ixm h ASN 110 Cb 0.27 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3ixm h ASN 110 CO -0.23 0.92 -0.10 1.23 -1.65 0.00 0.00 177.43 177.60 3ixm h GLY 111 N 1.24 0.56 0.97 2.83 0.00 -0.53 -1.87 103.07 106.25 3ixm h GLY 111 Ca 0.30 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3ixm h GLY 111 CO -0.04 0.45 0.22 1.41 0.00 0.00 0.00 176.54 178.57 3ixm h LEU 112 N 0.24 0.63 -0.70 3.11 4.07 -0.98 -2.43 115.31 119.25 3ixm h LEU 112 Ca 0.06 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.88 3ixm h LEU 112 Cb 0.60 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 3ixm h LEU 112 CO 0.03 0.59 0.46 0.03 -1.08 0.00 0.00 178.44 178.48 3ixm h ARG 113 N 0.62 0.93 0.00 1.13 3.08 -1.27 0.14 114.38 119.01 3ixm h ARG 113 Ca 0.16 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3ixm h ARG 113 Cb 0.14 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3ixm h ARG 113 CO -0.02 0.62 -0.13 0.00 -1.07 0.00 0.00 179.97 179.38 3ixm h ALA 114 N 1.25 1.67 -0.01 0.04 0.00 -1.10 -1.22 119.26 119.89 3ixm h ALA 114 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ixm h ALA 114 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ixm h ALA 114 CO -0.05 0.16 -0.23 1.28 0.00 0.00 0.00 179.25 180.40 3ixm n LEU 115 N -4.21 1.64 0.00 0.00 4.77 -0.94 -4.95 117.00 113.31 3ixm n LEU 115 Ca -0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3ixm n LEU 115 Cb 0.20 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ixm n LEU 115 CO 0.34 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3ixm n GLY 116 N 1.33 0.51 3.70 -0.72 0.00 -0.46 -5.00 105.19 104.54 3ixm n GLY 116 Ca 0.13 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3ixm n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixm s VAL 117 N -2.00 4.50 0.00 1.61 1.01 -0.03 -4.90 120.40 120.60 3ixm s VAL 117 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.78 3ixm s VAL 117 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3ixm s VAL 117 CO 0.00 0.05 0.05 -2.11 0.00 0.00 0.00 175.10 173.09 3ixm n ARG 118 N 4.68 3.96 -3.84 2.72 1.85 -1.26 -4.54 116.66 120.22 3ixm n ARG 118 Ca 0.09 -0.05 -0.35 0.00 -1.00 0.00 0.00 57.85 56.54 3ixm n ARG 118 Cb 0.48 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 31.36 3ixm n ARG 118 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3ixm s ARG 119 N -0.58 2.05 -0.16 2.89 0.52 -1.26 0.26 118.95 122.66 3ixm s ARG 119 Ca 0.00 -1.68 -0.00 0.00 -0.52 0.00 0.00 55.73 53.53 3ixm s ARG 119 Cb 0.00 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 3ixm s ARG 119 CO 0.00 -0.93 -0.14 0.54 0.02 0.00 0.00 175.30 174.79 3ixm s VAL 120 N 1.14 2.76 0.08 3.52 0.11 0.11 0.93 120.40 129.06 3ixm s VAL 120 Ca 0.05 -0.73 -0.23 0.00 -2.93 0.00 0.00 61.98 58.14 3ixm s VAL 120 Cb -0.21 -2.18 -0.07 0.00 -1.53 0.00 0.00 36.38 32.39 3ixm s VAL 120 CO -0.04 0.51 0.68 0.00 -3.33 0.00 0.00 175.10 172.92 3ixm s ALA 121 N 0.87 3.49 -0.14 1.54 0.00 -0.57 -0.86 121.76 126.08 3ixm s ALA 121 Ca -0.04 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 3ixm s ALA 121 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3ixm s ALA 121 CO -0.01 0.26 0.08 -0.51 0.00 0.00 0.00 175.76 175.58 3ixm s LEU 122 N -0.76 3.98 -0.24 0.00 1.43 -0.04 -1.00 118.68 122.05 3ixm s LEU 122 Ca 0.33 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3ixm s LEU 122 Cb -0.21 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.11 3ixm s LEU 122 CO 0.22 0.30 -0.01 0.00 0.23 0.00 0.00 176.35 177.08 3ixm s ALA 123 N -0.38 1.82 0.31 4.21 0.00 -0.18 -1.23 121.76 126.31 3ixm s ALA 123 Ca 0.10 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.72 3ixm s ALA 123 Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 3ixm s ALA 123 CO 0.02 -1.28 0.11 0.95 0.00 0.00 0.00 175.76 175.56 3ixm s THR 124 N 1.46 0.61 -0.24 0.00 -4.23 -0.55 -1.05 115.64 111.65 3ixm s THR 124 Ca -0.02 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.61 3ixm s THR 124 Cb -0.18 -2.59 0.48 0.00 1.34 0.00 0.00 72.50 71.54 3ixm s THR 124 CO -0.09 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.38 3ixm n ALA 125 N -0.60 3.69 -2.21 3.99 0.00 -1.02 -0.90 120.51 123.45 3ixm n ALA 125 Ca -0.01 -2.91 -0.21 0.00 0.00 0.00 0.00 53.44 50.31 3ixm n ALA 125 Cb 0.66 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.48 3ixm n ALA 125 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ixm s TYR 126 N -3.11 3.03 0.69 0.00 2.02 -1.26 -4.83 117.35 113.89 3ixm s TYR 126 Ca 0.42 -0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.99 3ixm s TYR 126 Cb 0.37 -2.38 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3ixm s TYR 126 CO 0.01 -0.44 1.06 0.96 -1.57 0.00 0.00 175.55 175.57 3ixm s ILE 127 N -2.50 3.37 0.19 2.71 -4.36 -1.26 -4.78 121.20 114.57 3ixm s ILE 127 Ca 0.51 0.32 -0.16 0.00 -0.26 0.00 0.00 60.65 61.06 3ixm s ILE 127 Cb -0.10 -3.42 0.17 0.00 1.25 0.00 0.00 42.46 40.36 3ixm s ILE 127 CO 0.36 -0.53 1.64 0.44 0.24 0.00 0.00 174.94 177.09 3ixm h ASP 128 N -0.58 -0.58 -0.95 4.36 3.45 -1.99 -0.50 116.42 119.62 3ixm h ASP 128 Ca -0.45 0.17 0.02 0.00 0.43 0.00 0.00 57.03 57.19 3ixm h ASP 128 Cb 1.26 0.36 -0.05 0.00 -0.56 0.00 0.00 39.33 40.34 3ixm h ASP 128 CO 0.63 -0.20 0.63 -0.78 -1.57 0.00 0.00 179.24 177.95 3ixm h ASP 129 N -0.04 1.07 -0.20 6.45 1.82 -1.99 0.10 116.42 123.64 3ixm h ASP 129 Ca 0.25 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.80 3ixm h ASP 129 Cb 0.42 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 3ixm h ASP 129 CO -0.56 0.77 -0.15 0.58 -1.61 0.00 0.00 179.24 178.26 3ixm h VAL 130 N 1.26 1.32 -0.68 2.25 2.07 -1.76 -1.95 116.25 118.77 3ixm h VAL 130 Ca 0.35 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.67 3ixm h VAL 130 Cb -0.11 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3ixm h VAL 130 CO -0.09 0.39 0.45 0.78 0.02 0.00 0.00 177.57 179.12 3ixm h ASN 131 N 0.13 0.56 -0.54 0.57 2.35 -0.81 -0.73 115.58 117.11 3ixm h ASN 131 Ca 0.04 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3ixm h ASN 131 Cb 0.68 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3ixm h ASN 131 CO 0.04 0.35 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.78 3ixm h GLU 132 N 0.63 1.02 -0.50 0.81 5.08 -0.47 -0.96 114.58 120.19 3ixm h GLU 132 Ca 0.30 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3ixm h GLU 132 Cb 0.35 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ixm h GLU 132 CO -0.10 1.03 -0.04 0.00 -1.00 0.00 0.00 179.01 178.90 3ixm h ARG 133 N 0.92 0.86 -0.00 2.33 3.08 -0.85 -0.63 114.38 120.09 3ixm h ARG 133 Ca 0.15 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3ixm h ARG 133 Cb 0.61 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3ixm h ARG 133 CO 0.04 0.89 0.00 1.25 -1.07 0.00 0.00 179.97 181.08 3ixm h LEU 134 N 0.79 0.01 -0.93 3.04 5.85 -0.93 -0.16 115.31 122.98 3ixm h LEU 134 Ca 0.14 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3ixm h LEU 134 Cb 0.54 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 3ixm h LEU 134 CO 0.03 0.11 0.59 0.00 -0.34 0.00 0.00 178.44 178.83 3ixm h ALA 135 N 0.90 1.30 -0.57 1.25 0.00 -0.96 -1.44 119.26 119.74 3ixm h ALA 135 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ixm h ALA 135 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ixm h ALA 135 CO -0.00 0.34 0.22 0.00 0.00 0.00 0.00 179.25 179.81 3ixm h ALA 136 N 1.44 0.74 -0.50 0.00 0.00 -0.83 -0.54 119.26 119.56 3ixm h ALA 136 Ca 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ixm h ALA 136 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ixm h ALA 136 CO -0.18 0.36 0.33 0.35 0.00 0.00 0.00 179.25 180.11 3ixm h PHE 137 N 0.78 0.64 -0.17 0.00 3.57 -0.69 -2.16 116.94 118.91 3ixm h PHE 137 Ca 0.19 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.51 3ixm h PHE 137 Cb 0.22 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3ixm h PHE 137 CO 0.01 0.41 -0.65 -0.07 -2.23 0.00 0.00 178.31 175.78 3ixm h LEU 138 N 0.68 0.73 -1.42 0.59 3.38 -1.06 -2.52 115.31 115.70 3ixm h LEU 138 Ca 0.18 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3ixm h LEU 138 Cb -0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3ixm h LEU 138 CO -0.04 1.19 0.50 0.00 0.09 0.00 0.00 178.44 180.19 3ixm h ALA 139 N 0.81 1.86 0.00 1.53 0.00 -0.99 -1.41 119.26 121.06 3ixm h ALA 139 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ixm h ALA 139 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ixm h ALA 139 CO 0.13 -0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.28 3ixm h GLU 140 N 0.63 0.00 -0.40 0.00 5.08 -0.96 -2.95 114.58 115.98 3ixm h GLU 140 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3ixm h GLU 140 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ixm h GLU 140 CO -0.13 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.27 3ixm n GLU 141 N -3.04 3.73 -3.27 2.33 -0.58 -0.59 -4.95 120.64 114.28 3ixm n GLU 141 Ca 0.01 -2.96 -0.17 0.00 -0.42 0.00 0.00 57.16 53.62 3ixm n GLU 141 Cb 0.32 -2.01 0.06 0.00 -0.57 0.00 0.00 31.44 29.24 3ixm n GLU 141 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3ixm n SER 142 N -0.00 -4.75 -4.41 1.62 7.64 -1.11 -5.04 113.62 107.57 3ixm n SER 142 Ca 0.24 -0.41 -0.25 0.00 1.01 0.00 0.00 58.87 59.46 3ixm n SER 142 Cb 1.01 -3.86 -0.11 0.00 -1.01 0.00 0.00 64.21 60.23 3ixm n SER 142 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ixm s LEU 143 N -5.59 2.46 -0.37 -3.43 1.43 -0.87 -4.93 118.68 107.38 3ixm s LEU 143 Ca 0.37 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.51 3ixm s LEU 143 Cb -0.16 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.05 3ixm s LEU 143 CO 0.54 0.07 0.16 -0.69 0.23 0.00 0.00 176.35 176.65 3ixm s VAL 144 N -1.91 3.75 -0.16 -1.59 1.01 0.14 -3.83 120.40 117.81 3ixm s VAL 144 Ca 0.21 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 3ixm s VAL 144 Cb -0.07 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3ixm s VAL 144 CO 0.10 -0.35 1.28 -2.16 0.00 0.00 0.00 175.10 173.97 3ixm s PRO 145 N 1.35 4.22 0.00 2.72 0.05 -1.26 -0.71 135.00 141.37 3ixm s PRO 145 Ca 0.01 1.68 0.24 0.00 0.05 0.00 0.00 61.00 62.98 3ixm s PRO 145 Cb -0.21 -3.78 0.31 0.00 0.05 0.00 0.00 34.50 30.87 3ixm s PRO 145 CO 0.01 -0.72 1.28 0.25 0.05 0.00 0.00 177.00 177.87 3ixm n THR 146 N 5.40 0.00 0.00 1.26 -2.24 -0.04 -4.91 114.28 113.75 3ixm n THR 146 Ca 0.14 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3ixm n THR 146 Cb 0.45 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3ixm n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixm n GLY 147 N 1.46 0.30 3.36 3.38 0.00 -1.26 -4.78 105.19 107.65 3ixm n GLY 147 Ca 0.07 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 3ixm n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixm s ARG 149 N 0.66 1.69 0.12 0.00 6.06 -0.36 -4.97 118.95 122.15 3ixm s ARG 149 Ca -0.03 -0.63 0.09 0.00 -2.50 0.00 0.00 55.73 52.65 3ixm s ARG 149 Cb -0.05 -1.52 -0.04 0.00 0.06 0.00 0.00 34.95 33.40 3ixm s ARG 149 CO -0.04 0.31 -0.22 -1.12 -2.50 0.00 0.00 175.30 171.72 3ixm s SER 150 N -0.15 2.80 0.32 -2.12 0.01 -1.26 -1.48 113.70 111.82 3ixm s SER 150 Ca 0.00 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.55 3ixm s SER 150 Cb -0.10 -0.17 0.54 0.00 0.21 0.00 0.00 66.02 66.50 3ixm s SER 150 CO 0.01 0.08 1.84 -0.07 0.41 0.00 0.00 173.24 175.51 3ixm h LEU 151 N 3.84 0.53 0.89 2.44 3.38 -1.35 -3.47 115.31 121.57 3ixm h LEU 151 Ca -0.47 -0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.12 3ixm h LEU 151 Cb 1.18 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.82 3ixm h LEU 151 CO 0.42 0.62 -0.38 0.61 0.09 0.00 0.00 178.44 179.79 3ixm n GLY 152 N -0.79 -0.13 3.60 0.83 0.00 -1.26 -5.03 105.19 102.41 3ixm n GLY 152 Ca 0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3ixm n GLY 152 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ixm s ILE 153 N -2.88 3.35 0.08 -0.61 -4.36 -1.26 -5.16 121.20 110.37 3ixm s ILE 153 Ca 0.14 -1.58 -0.06 0.00 -0.26 0.00 0.00 60.65 58.88 3ixm s ILE 153 Cb -0.06 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 3ixm s ILE 153 CO 0.17 -0.11 0.13 0.42 0.24 0.00 0.00 174.94 175.80 3ixm s THR 154 N -1.71 0.16 0.00 8.37 -4.23 -1.26 -5.01 115.64 111.97 3ixm s THR 154 Ca 0.26 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3ixm s THR 154 Cb -0.09 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.35 3ixm s THR 154 CO 0.16 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 3ixm n GLY 155 N -0.01 -0.65 0.33 3.99 0.00 -1.26 -4.37 105.19 103.22 3ixm n GLY 155 Ca -0.15 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.46 3ixm n GLY 155 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ixm h VAL 156 N 0.00 1.04 -0.08 1.61 -1.51 -2.01 -2.16 116.25 113.14 3ixm h VAL 156 Ca 0.00 -0.21 0.01 0.00 -1.23 0.00 0.00 66.70 65.27 3ixm h VAL 156 Cb 0.00 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 3ixm h VAL 156 CO 0.00 0.11 0.01 -0.08 -1.23 0.00 0.00 177.57 176.38 3ixm h GLU 157 N 0.60 0.04 -0.08 5.19 4.22 -1.99 0.22 114.58 122.78 3ixm h GLU 157 Ca 0.23 -0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.47 3ixm h GLU 157 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ixm h GLU 157 CO -0.07 0.03 -0.80 0.00 -2.18 0.00 0.00 179.01 176.00 3ixm h ALA 158 N 1.06 0.45 -0.65 2.92 0.00 -1.67 -2.41 119.26 118.97 3ixm h ALA 158 Ca 0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3ixm h ALA 158 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ixm h ALA 158 CO -0.05 0.74 0.12 0.52 0.00 0.00 0.00 179.25 180.59 3ixm h MET 159 N 0.35 1.05 -0.30 0.00 2.86 -1.25 -1.98 114.93 115.65 3ixm h MET 159 Ca -0.05 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3ixm h MET 159 Cb 1.40 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 3ixm h MET 159 CO 0.15 0.95 0.17 0.00 1.06 0.00 0.00 176.91 179.23 3ixm h ALA 160 N 1.14 1.73 -0.00 6.32 0.00 -0.42 -2.73 119.26 125.30 3ixm h ALA 160 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ixm h ALA 160 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ixm h ALA 160 CO 0.01 0.23 -0.01 0.54 0.00 0.00 0.00 179.25 180.02 3ixm n ARG 161 N -4.46 0.25 -2.30 0.00 1.74 -0.76 -4.81 116.66 106.33 3ixm n ARG 161 Ca 0.01 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3ixm n ARG 161 Cb 0.09 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 3ixm n ARG 161 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ixm s VAL 162 N -2.75 3.62 0.44 1.55 1.01 -1.03 -5.04 120.40 118.20 3ixm s VAL 162 Ca 0.22 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.43 3ixm s VAL 162 Cb 0.20 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3ixm s VAL 162 CO 0.49 0.11 0.05 1.51 0.00 0.00 0.00 175.10 177.27 3ixm s ASP 163 N 0.89 3.47 0.18 3.32 3.84 -1.26 -4.96 116.67 122.14 3ixm s ASP 163 Ca 0.60 -1.59 -0.19 0.00 -0.00 0.00 0.00 52.55 51.37 3ixm s ASP 163 Cb -0.33 0.32 0.12 0.00 -1.38 0.00 0.00 42.92 41.65 3ixm s ASP 163 CO 0.31 -0.79 1.62 0.74 -0.00 0.00 0.00 175.17 177.05 3ixm h THR 164 N 1.63 0.35 -0.85 2.11 2.02 -1.96 -1.82 112.91 114.39 3ixm h THR 164 Ca -0.41 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.95 3ixm h THR 164 Cb 1.28 0.35 -0.11 0.00 -1.74 0.00 0.00 68.15 67.93 3ixm h THR 164 CO 0.69 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.95 3ixm h ALA 165 N 1.15 1.28 -0.78 6.16 0.00 -1.99 -0.24 119.26 124.85 3ixm h ALA 165 Ca 0.22 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.33 3ixm h ALA 165 Cb 0.47 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3ixm h ALA 165 CO -0.54 -0.25 0.46 1.15 0.00 0.00 0.00 179.25 180.07 3ixm h THR 166 N 0.45 0.99 0.05 0.00 2.02 -1.74 -0.61 112.91 114.08 3ixm h THR 166 Ca 0.50 -0.29 -0.23 0.00 0.77 0.00 0.00 66.41 67.16 3ixm h THR 166 Cb 0.85 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3ixm h THR 166 CO -0.46 0.15 -1.03 -0.07 0.37 0.00 0.00 175.52 174.48 3ixm h LEU 167 N 0.83 0.39 -0.18 2.58 3.38 -0.99 -0.64 115.31 120.69 3ixm h LEU 167 Ca 0.35 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ixm h LEU 167 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ixm h LEU 167 CO -0.19 1.20 0.05 0.58 0.09 0.00 0.00 178.44 180.17 3ixm h VAL 168 N 0.13 1.20 -0.68 1.22 2.07 -0.83 -1.95 116.25 117.42 3ixm h VAL 168 Ca -0.09 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3ixm h VAL 168 Cb 1.71 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3ixm h VAL 168 CO 0.17 0.20 0.40 0.44 0.02 0.00 0.00 177.57 178.79 3ixm h ASP 169 N 0.11 0.82 -0.50 0.57 3.45 -1.06 -1.07 116.42 118.74 3ixm h ASP 169 Ca 0.06 -0.07 0.10 0.00 0.43 0.00 0.00 57.03 57.54 3ixm h ASP 169 Cb 0.27 -0.21 -0.08 0.00 -0.56 0.00 0.00 39.33 38.74 3ixm h ASP 169 CO 0.00 0.66 -0.00 0.25 -1.57 0.00 0.00 179.24 178.58 3ixm h LEU 170 N 0.92 -0.21 -0.83 1.55 5.85 -0.99 -0.25 115.31 121.34 3ixm h LEU 170 Ca 0.24 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.97 3ixm h LEU 170 Cb -0.01 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ixm h LEU 170 CO -0.04 -0.07 -0.30 0.00 -0.34 0.00 0.00 178.44 177.69 3ixm h VAL 172 N 0.46 1.27 -0.38 0.00 2.07 -0.81 -0.82 116.25 118.03 3ixm h VAL 172 Ca 0.06 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.63 3ixm h VAL 172 Cb 0.75 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 3ixm h VAL 172 CO 0.06 0.33 -0.11 0.03 0.02 0.00 0.00 177.57 177.89 3ixm h ARG 173 N 0.32 -0.02 -0.60 1.57 -0.00 -0.94 0.80 114.38 115.50 3ixm h ARG 173 Ca 0.08 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.51 3ixm h ARG 173 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.44 3ixm h ARG 173 CO 0.02 -0.01 0.19 0.00 0.00 0.00 0.00 179.97 180.16 3ixm h ALA 174 N 1.34 1.19 -0.18 0.04 0.00 -1.12 -2.45 119.26 118.09 3ixm h ALA 174 Ca 0.19 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3ixm h ALA 174 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ixm h ALA 174 CO -0.41 0.56 -0.53 0.35 0.00 0.00 0.00 179.25 179.23 3ixm h PHE 175 N 0.88 0.88 -0.71 0.00 3.04 -0.72 -2.85 116.94 117.46 3ixm h PHE 175 Ca 0.20 -0.35 0.07 0.00 3.98 0.00 0.00 57.97 61.87 3ixm h PHE 175 Cb 0.26 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.57 3ixm h PHE 175 CO 0.02 1.14 0.47 0.93 -2.02 0.00 0.00 178.31 178.85 3ixm h GLU 176 N 0.37 0.67 0.00 1.11 5.08 -0.65 -0.86 114.58 120.31 3ixm h GLU 176 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3ixm h GLU 176 Cb 1.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3ixm h GLU 176 CO 0.11 0.45 -0.21 0.00 -1.00 0.00 0.00 179.01 178.36 3ixm h ALA 177 N 1.62 0.93 -2.04 3.43 0.00 -1.43 -3.35 119.26 118.43 3ixm h ALA 177 Ca 0.31 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.50 3ixm h ALA 177 Cb 0.33 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.69 3ixm h ALA 177 CO -0.11 0.26 -1.07 0.00 0.00 0.00 0.00 179.25 178.33 3ixm n ALA 178 N -2.18 2.54 0.31 0.00 0.00 -0.37 -4.98 120.51 115.84 3ixm n ALA 178 Ca 0.01 -3.60 0.08 0.00 0.00 0.00 0.00 53.44 49.93 3ixm n ALA 178 Cb 0.50 -0.86 0.34 0.00 0.00 0.00 0.00 19.45 19.44 3ixm n ALA 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ixm n PRO 179 N 0.79 0.08 0.00 0.00 -0.04 -0.96 -1.98 135.00 132.90 3ixm n PRO 179 Ca 0.24 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 3ixm n PRO 179 Cb 0.56 -1.68 0.76 0.00 -0.04 0.00 0.00 33.50 33.10 3ixm n PRO 179 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ixm n ASP 180 N -1.84 0.00 -4.77 3.54 5.75 -1.26 -4.92 116.55 113.06 3ixm n ASP 180 Ca 0.02 -0.46 -0.39 0.00 -0.01 0.00 0.00 54.79 53.95 3ixm n ASP 180 Cb 0.13 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 3ixm n ASP 180 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3ixm s SER 181 N -2.31 6.84 0.36 -1.12 0.01 -0.84 -4.90 113.70 111.75 3ixm s SER 181 Ca 0.33 2.32 0.24 0.00 1.31 0.00 0.00 55.95 60.14 3ixm s SER 181 Cb 0.19 -2.62 0.39 0.00 0.21 0.00 0.00 66.02 64.19 3ixm s SER 181 CO 0.38 -0.45 1.57 0.44 0.41 0.00 0.00 173.24 175.59 3ixm h ASP 182 N 3.10 0.00 0.00 2.44 3.32 0.21 -3.49 116.42 122.00 3ixm h ASP 182 Ca -0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ixm h ASP 182 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3ixm h ASP 182 CO 0.64 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.78 3ixm n GLY 183 N 1.15 0.70 3.17 2.75 0.00 -1.16 -4.29 105.19 107.50 3ixm n GLY 183 Ca 0.04 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3ixm n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixm s ILE 184 N -2.00 1.68 -0.36 -0.61 1.01 -0.62 -1.52 121.20 118.78 3ixm s ILE 184 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 3ixm s ILE 184 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3ixm s ILE 184 CO 0.00 0.48 0.24 -0.22 0.00 0.00 0.00 174.94 175.44 3ixm s LEU 185 N 0.19 4.66 -0.45 2.97 2.96 -0.17 -0.72 118.68 128.12 3ixm s LEU 185 Ca -0.10 -0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 52.94 3ixm s LEU 185 Cb -0.15 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.47 3ixm s LEU 185 CO 0.05 -0.32 0.61 -0.22 -1.32 0.00 0.00 176.35 175.15 3ixm s LEU 186 N 1.67 4.66 -0.53 -0.68 2.96 0.93 -1.01 118.68 126.67 3ixm s LEU 186 Ca 0.05 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3ixm s LEU 186 Cb -0.18 -2.61 0.14 0.00 0.50 0.00 0.00 46.19 44.05 3ixm s LEU 186 CO 0.09 -0.77 0.31 -0.55 -1.32 0.00 0.00 176.35 174.11 3ixm s SER 187 N 2.12 3.99 -0.59 3.68 0.15 -0.21 -1.44 113.70 121.40 3ixm s SER 187 Ca 0.19 -3.08 0.06 0.00 0.70 0.00 0.00 55.95 53.82 3ixm s SER 187 Cb -0.16 -1.34 0.24 0.00 -1.71 0.00 0.00 66.02 63.06 3ixm s SER 187 CO 0.16 -0.20 0.68 0.00 1.20 0.00 0.00 173.24 175.08 3ixm n GLY 189 N 1.08 0.62 1.25 0.00 0.00 -1.26 -1.73 105.19 105.15 3ixm n GLY 189 Ca 0.27 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.15 3ixm n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixm n GLY 190 N 3.50 0.92 3.69 -0.02 0.00 -1.26 -5.00 105.19 107.02 3ixm n GLY 190 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 3ixm n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixm s LEU 191 N 0.00 3.22 -0.33 0.99 1.43 -0.70 -5.01 118.68 118.28 3ixm s LEU 191 Ca 0.00 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 3ixm s LEU 191 Cb 0.00 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3ixm s LEU 191 CO 0.00 -0.15 0.29 -0.76 0.23 0.00 0.00 176.35 175.96 3ixm s LEU 192 N -3.76 4.38 -0.00 1.79 1.02 -1.26 -4.72 118.68 116.13 3ixm s LEU 192 Ca 0.34 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.29 3ixm s LEU 192 Cb -0.04 -2.23 -0.04 0.00 0.02 0.00 0.00 46.19 43.90 3ixm s LEU 192 CO 0.21 -0.24 0.13 0.35 0.02 0.00 0.00 176.35 176.82 3ixm n THR 193 N 5.15 0.00 -0.07 5.49 -2.24 -1.26 -4.77 114.28 116.58 3ixm n THR 193 Ca -0.11 -0.35 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 3ixm n THR 193 Cb 0.50 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 3ixm n THR 193 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ixm h LEU 194 N 0.00 -0.48 -1.92 3.22 3.38 -1.97 -0.81 115.31 116.73 3ixm h LEU 194 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ixm h LEU 194 Cb 0.09 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ixm h LEU 194 CO 0.00 -0.18 -0.11 0.44 0.09 0.00 0.00 178.44 178.68 3ixm h ASP 195 N -0.11 0.00 0.21 -0.43 3.32 -1.94 -2.51 116.42 114.96 3ixm h ASP 195 Ca 0.15 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3ixm h ASP 195 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3ixm h ASP 195 CO -0.34 0.11 -0.40 0.00 -1.72 0.00 0.00 179.24 176.89 3ixm h ALA 196 N 1.89 1.10 0.64 3.45 0.00 -1.47 -3.33 119.26 121.54 3ixm h ALA 196 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3ixm h ALA 196 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ixm h ALA 196 CO 0.01 0.59 -0.48 0.82 0.00 0.00 0.00 179.25 180.20 3ixm h ILE 197 N 0.21 0.06 0.00 0.00 2.04 -1.32 -0.29 117.51 118.21 3ixm h ILE 197 Ca 0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3ixm h ILE 197 Cb 0.81 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3ixm h ILE 197 CO 0.06 0.00 -0.34 1.55 0.00 0.00 0.00 178.15 179.42 3ixm h PRO 198 N -1.07 0.00 -0.27 2.37 0.13 -1.72 -1.59 132.00 129.84 3ixm h PRO 198 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3ixm h PRO 198 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3ixm h PRO 198 CO 0.03 0.34 0.12 1.49 -0.23 0.00 0.00 178.00 179.75 3ixm h GLU 199 N 0.00 0.40 -0.70 0.86 4.81 -1.62 -1.09 114.58 117.25 3ixm h GLU 199 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ixm h GLU 199 Cb 0.80 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 3ixm h GLU 199 CO 0.04 0.42 0.35 0.28 -0.73 0.00 0.00 179.01 179.37 3ixm h VAL 200 N 0.30 1.23 -0.50 0.32 2.07 -0.85 -0.93 116.25 117.89 3ixm h VAL 200 Ca 0.09 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3ixm h VAL 200 Cb 0.16 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3ixm h VAL 200 CO -0.01 0.26 0.00 -0.33 0.02 0.00 0.00 177.57 177.51 3ixm h GLU 201 N 0.96 0.83 0.21 1.57 5.08 -1.18 0.37 114.58 122.43 3ixm h GLU 201 Ca 0.24 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ixm h GLU 201 Cb 0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ixm h GLU 201 CO -0.03 0.83 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.62 3ixm h ARG 202 N 0.78 -0.27 -0.22 2.33 2.43 -1.01 0.22 114.38 118.64 3ixm h ARG 202 Ca 0.15 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3ixm h ARG 202 Cb 0.46 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3ixm h ARG 202 CO 0.02 -0.04 -0.19 0.00 -1.51 0.00 0.00 179.97 178.25 3ixm h ARG 203 N -0.47 0.38 0.00 0.20 3.08 -0.99 -3.33 114.38 113.25 3ixm h ARG 203 Ca -0.03 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3ixm h ARG 203 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3ixm h ARG 203 CO 0.05 0.55 -1.70 1.28 -1.07 0.00 0.00 179.97 179.09 3ixm n LEU 204 N -4.19 0.00 -1.59 3.04 4.77 0.10 -5.02 117.00 114.12 3ixm n LEU 204 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3ixm n LEU 204 Cb 0.34 0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3ixm n LEU 204 CO 0.40 0.10 -0.07 0.61 -1.33 0.00 0.00 177.39 177.10 3ixm n GLY 205 N 1.88 -0.04 2.93 -0.72 0.00 0.77 -5.03 105.19 104.99 3ixm n GLY 205 Ca -0.08 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3ixm n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixm s VAL 206 N -2.76 -0.01 0.51 1.61 0.11 -1.25 -5.09 120.40 113.53 3ixm s VAL 206 Ca 0.10 0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.00 3ixm s VAL 206 Cb -0.04 -0.13 -0.08 0.00 -1.53 0.00 0.00 36.38 34.60 3ixm s VAL 206 CO 0.12 0.02 1.01 -2.16 -3.33 0.00 0.00 175.10 170.75 3ixm s PRO 207 N 0.27 3.83 -0.07 1.54 0.04 -1.26 -4.34 135.00 135.01 3ixm s PRO 207 Ca -0.02 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.23 3ixm s PRO 207 Cb -0.03 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3ixm s PRO 207 CO -0.01 -0.38 -0.25 0.08 0.04 0.00 0.00 177.00 176.48 3ixm s VAL 208 N -2.32 2.05 -0.21 -0.36 1.01 -1.26 -1.59 120.40 117.72 3ixm s VAL 208 Ca 0.63 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3ixm s VAL 208 Cb -0.13 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3ixm s VAL 208 CO 0.26 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.26 3ixm s VAL 209 N 0.04 4.21 -0.17 2.92 1.01 0.10 -4.79 120.40 123.72 3ixm s VAL 209 Ca -0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3ixm s VAL 209 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3ixm s VAL 209 CO 0.06 0.41 0.03 -0.55 0.00 0.00 0.00 175.10 175.05 3ixm s SER 210 N 0.99 5.38 0.09 3.32 0.15 -1.26 -0.05 113.70 122.32 3ixm s SER 210 Ca 0.03 0.03 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 3ixm s SER 210 Cb -0.14 -1.89 -0.15 0.00 -1.71 0.00 0.00 66.02 62.13 3ixm s SER 210 CO 0.02 0.19 1.72 0.77 1.20 0.00 0.00 173.24 177.15 3ixm h SER 211 N 6.57 -0.11 0.14 5.45 4.64 -1.65 0.20 113.55 128.79 3ixm h SER 211 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3ixm h SER 211 Cb 1.18 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ixm h SER 211 CO 0.67 -0.07 -0.06 -1.28 -0.87 0.00 0.00 176.83 175.21 3ixm h SER 212 N -0.12 -0.15 -0.81 4.97 0.87 -1.86 -0.77 113.55 115.67 3ixm h SER 212 Ca -0.01 -0.20 0.11 0.00 -1.23 0.00 0.00 61.79 60.46 3ixm h SER 212 Cb 0.09 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 3ixm h SER 212 CO 0.02 0.12 0.44 -0.65 -0.53 0.00 0.00 176.83 176.22 3ixm h PRO 213 N -0.44 0.67 -0.79 2.24 0.11 -1.48 -0.99 132.00 131.32 3ixm h PRO 213 Ca -0.02 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.13 3ixm h PRO 213 Cb 0.35 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.26 3ixm h PRO 213 CO 0.03 0.44 0.52 0.00 -0.21 0.00 0.00 178.00 178.78 3ixm h ALA 214 N 1.49 1.68 -0.49 -0.75 0.00 -0.34 -1.65 119.26 119.20 3ixm h ALA 214 Ca 0.41 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.31 3ixm h ALA 214 Cb 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3ixm h ALA 214 CO -0.30 0.19 0.32 0.78 0.00 0.00 0.00 179.25 180.24 3ixm h GLY 215 N 0.81 0.69 0.86 0.00 0.00 0.21 -0.31 103.07 105.34 3ixm h GLY 215 Ca 0.35 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ixm h GLY 215 CO -0.13 0.24 0.01 0.74 0.00 0.00 0.00 176.54 177.41 3ixm h PHE 216 N 0.66 0.02 -0.61 5.60 -1.00 -0.94 -2.09 116.94 118.57 3ixm h PHE 216 Ca 0.18 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.00 3ixm h PHE 216 Cb -0.06 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 3ixm h PHE 216 CO -0.04 0.16 0.36 2.35 -1.61 0.00 0.00 178.31 179.52 3ixm h TRP 217 N -0.12 0.67 -0.38 -0.55 7.01 -0.96 -1.02 115.95 120.59 3ixm h TRP 217 Ca 0.01 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.89 3ixm h TRP 217 Cb 0.14 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 3ixm h TRP 217 CO -0.03 0.36 -0.29 0.22 -2.79 0.00 0.00 178.44 175.91 3ixm h ASP 218 N 0.69 0.92 -0.57 2.65 1.82 -1.05 0.35 116.42 121.23 3ixm h ASP 218 Ca 0.26 -0.44 -0.09 0.00 -0.39 0.00 0.00 57.03 56.37 3ixm h ASP 218 Cb 0.08 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 3ixm h ASP 218 CO -0.13 1.17 0.01 0.00 -1.61 0.00 0.00 179.24 178.68 3ixm h ALA 219 N 0.78 0.76 -0.69 -0.78 0.00 -1.20 -0.48 119.26 117.67 3ixm h ALA 219 Ca 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3ixm h ALA 219 Cb 0.87 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3ixm h ALA 219 CO 0.08 0.58 0.13 0.28 0.00 0.00 0.00 179.25 180.32 3ixm h VAL 220 N 0.88 1.26 -0.29 0.00 2.07 -0.98 -1.88 116.25 117.32 3ixm h VAL 220 Ca 0.16 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3ixm h VAL 220 Cb 0.53 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3ixm h VAL 220 CO 0.03 0.39 0.16 0.03 0.02 0.00 0.00 177.57 178.19 3ixm h ARG 221 N 1.05 0.41 -0.84 1.57 3.08 -0.78 -3.02 114.38 115.85 3ixm h ARG 221 Ca 0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3ixm h ARG 221 Cb 0.42 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3ixm h ARG 221 CO 0.01 0.35 0.54 1.25 -1.07 0.00 0.00 179.97 181.05 3ixm h LEU 222 N 0.35 0.99 -0.33 3.04 6.46 -0.97 -0.15 115.31 124.69 3ixm h LEU 222 Ca 0.10 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3ixm h LEU 222 Cb 0.07 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 3ixm h LEU 222 CO -0.02 0.74 0.00 0.00 -0.62 0.00 0.00 178.44 178.54 3ixm n ALA 223 N -2.41 1.50 -2.70 1.25 0.00 -0.72 -4.89 120.51 112.54 3ixm n ALA 223 Ca 0.09 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 3ixm n ALA 223 Cb 0.04 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 3ixm n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixm n GLY 224 N -0.35 -0.50 0.12 0.00 0.00 -0.07 -4.86 105.19 99.53 3ixm n GLY 224 Ca 0.02 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3ixm n GLY 224 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ixm h GLY 225 N -0.31 0.00 0.00 -0.02 0.00 -1.83 -3.48 103.07 97.42 3ixm h GLY 225 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3ixm h GLY 225 CO 0.40 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.55 3ixm n GLY 226 N 1.28 0.84 3.76 4.60 0.00 -1.26 -5.04 105.19 109.37 3ixm n GLY 226 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ixm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixm s ALA 227 N -3.31 3.63 -0.08 4.61 0.00 -1.26 -5.01 121.76 120.34 3ixm s ALA 227 Ca 0.00 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 3ixm s ALA 227 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3ixm s ALA 227 CO 0.00 -0.91 0.26 0.15 0.00 0.00 0.00 175.76 175.26 3ixm s LYS 228 N -1.20 3.70 0.51 0.00 -0.14 -1.26 -4.96 119.74 116.39 3ixm s LYS 228 Ca 0.57 0.10 -0.23 0.00 -1.36 0.00 0.00 55.97 55.05 3ixm s LYS 228 Cb -0.45 -3.22 -0.07 0.00 -1.68 0.00 0.00 37.83 32.41 3ixm s LYS 228 CO 0.53 0.70 1.27 0.00 -0.76 0.00 0.00 175.35 177.09 3ixm n ALA 229 N 2.06 1.28 -1.59 5.17 0.00 -1.26 -4.93 120.51 121.24 3ixm n ALA 229 Ca -0.17 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 3ixm n ALA 229 Cb 0.54 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 3ixm n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ixm n ARG 230 N -0.62 1.30 -1.70 0.00 5.12 -0.76 -4.92 116.66 115.08 3ixm n ARG 230 Ca 0.09 0.46 -0.31 0.00 -1.93 0.00 0.00 57.85 56.16 3ixm n ARG 230 Cb 0.43 -1.88 0.04 0.00 -1.16 0.00 0.00 32.46 29.89 3ixm n ARG 230 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ixm s PRO 231 N -1.68 3.06 0.00 5.56 0.04 -1.26 -4.46 135.00 136.25 3ixm s PRO 231 Ca 0.60 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3ixm s PRO 231 Cb -0.65 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3ixm s PRO 231 CO 0.59 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 177.04 3ixm n GLY 232 N -1.77 0.97 0.96 0.56 0.00 -1.26 -4.99 105.19 99.66 3ixm n GLY 232 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3ixm n GLY 232 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ixm n TYR 233 N -2.03 0.68 0.00 1.61 4.02 -1.26 -4.73 117.16 115.45 3ixm n TYR 233 Ca 0.00 -1.60 0.00 0.00 -0.01 0.00 0.00 57.90 56.29 3ixm n TYR 233 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 38.93 3ixm n TYR 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ixm n GLY 234 N -1.11 1.38 0.19 2.72 0.00 -1.26 -4.54 105.19 102.56 3ixm n GLY 234 Ca 0.28 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 3ixm n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ixm h ARG 235 N 0.00 0.59 -0.33 1.61 3.08 -1.94 -0.38 114.38 117.01 3ixm h ARG 235 Ca 0.00 -0.22 0.07 0.00 0.07 0.00 0.00 59.98 59.90 3ixm h ARG 235 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 3ixm h ARG 235 CO 0.00 0.77 -0.12 1.25 -1.07 0.00 0.00 179.97 180.79 3ixm h LEU 236 N 0.37 -0.43 0.02 3.04 5.85 -1.87 0.51 115.31 122.79 3ixm h LEU 236 Ca 0.08 0.12 -0.22 0.00 0.84 0.00 0.00 57.88 58.69 3ixm h LEU 236 Cb 0.54 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3ixm h LEU 236 CO 0.03 -0.16 -1.05 -0.26 -0.34 0.00 0.00 178.44 176.66 3ixm h PHE 237 N -0.06 0.12 -0.43 1.25 0.05 -1.77 -2.77 116.94 113.33 3ixm h PHE 237 Ca 0.17 -0.08 -0.00 0.00 3.82 0.00 0.00 57.97 61.87 3ixm h PHE 237 Cb 0.31 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.24 3ixm h PHE 237 CO -0.34 1.06 0.26 -0.44 -0.18 0.00 0.00 178.31 178.66 3ixm h ASP 238 N 0.02 0.51 0.00 2.17 3.32 -0.85 -3.41 116.42 118.17 3ixm h ASP 238 Ca -0.04 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3ixm h ASP 238 Cb 1.80 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.23 3ixm h ASP 238 CO 0.15 0.39 0.00 -1.84 -1.72 0.00 0.00 179.24 176.22