#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixl s PRO 7 N 0.00 4.21 0.13 -2.82 0.04 -1.26 -5.00 135.00 130.30 3ixl s PRO 7 Ca 0.00 2.37 -0.26 0.00 0.04 0.00 0.00 61.00 63.16 3ixl s PRO 7 Cb 0.00 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 3ixl s PRO 7 CO 0.00 -0.61 0.79 0.99 0.04 0.00 0.00 177.00 178.21 3ixl s THR 8 N 1.14 4.48 -0.22 1.26 2.01 -1.26 -4.59 115.64 118.45 3ixl s THR 8 Ca 0.70 1.72 -0.07 0.00 0.31 0.00 0.00 61.69 64.35 3ixl s THR 8 Cb -0.44 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 3ixl s THR 8 CO 0.31 0.46 0.06 -0.63 -0.69 0.00 0.00 174.62 174.13 3ixl s ILE 9 N -0.72 4.38 -0.06 1.82 1.01 -0.81 -0.14 121.20 126.68 3ixl s ILE 9 Ca 0.38 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.77 3ixl s ILE 9 Cb -0.22 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3ixl s ILE 9 CO 0.26 0.39 0.25 -0.83 0.00 0.00 0.00 174.94 175.00 3ixl s GLY 10 N 1.17 2.28 -0.06 6.18 0.00 0.08 -1.18 107.32 115.78 3ixl s GLY 10 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.28 3ixl s GLY 10 CO 0.03 -0.21 -0.07 1.06 0.00 0.00 0.00 173.10 173.91 3ixl s MET 11 N -1.16 1.14 -0.27 2.90 -1.94 0.40 -0.99 119.30 119.38 3ixl s MET 11 Ca 0.20 -0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 53.82 3ixl s MET 11 Cb -0.14 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.57 3ixl s MET 11 CO 0.09 -0.09 0.46 0.42 -0.01 0.00 0.00 175.02 175.88 3ixl s ILE 12 N 1.03 5.11 0.10 2.53 1.01 -0.04 -1.25 121.20 129.69 3ixl s ILE 12 Ca -0.09 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.40 3ixl s ILE 12 Cb -0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3ixl s ILE 12 CO -0.00 0.10 -0.26 0.68 0.00 0.00 0.00 174.94 175.46 3ixl s VAL 13 N 2.21 2.18 0.19 2.92 -7.23 -0.38 -0.36 120.40 119.93 3ixl s VAL 13 Ca 0.19 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 3ixl s VAL 13 Cb -0.16 -1.91 0.09 0.00 0.56 0.00 0.00 36.38 34.96 3ixl s VAL 13 CO 0.10 0.16 1.78 -0.65 -0.31 0.00 0.00 175.10 176.17 3ixl h PRO 14 N 4.16 0.49 -7.05 4.82 0.11 -1.88 0.06 132.00 132.71 3ixl h PRO 14 Ca -0.49 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.08 3ixl h PRO 14 Cb 1.16 -0.11 0.08 0.00 0.11 0.00 0.00 31.00 32.24 3ixl h PRO 14 CO 0.40 0.33 0.47 -2.14 -0.21 0.00 0.00 178.00 176.85 3ixl s PRO 15 N -6.12 3.45 0.37 1.05 0.02 -1.26 -0.54 135.00 131.97 3ixl s PRO 15 Ca -0.13 1.76 0.08 0.00 0.02 0.00 0.00 61.00 62.72 3ixl s PRO 15 Cb 0.14 -2.18 0.80 0.00 0.02 0.00 0.00 34.50 33.28 3ixl s PRO 15 CO 0.74 -0.80 1.94 0.00 -0.33 0.00 0.00 177.00 178.55 3ixl h ALA 16 N 1.53 1.78 0.00 -1.55 0.00 -1.87 -2.32 119.26 116.82 3ixl h ALA 16 Ca -0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ixl h ALA 16 Cb 1.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ixl h ALA 16 CO 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 3ixl h ALA 17 N 1.61 1.55 -4.41 0.00 0.00 -1.90 -3.40 119.26 112.72 3ixl h ALA 17 Ca 0.34 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 3ixl h ALA 17 Cb 0.40 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.29 3ixl h ALA 17 CO -0.12 0.02 -0.49 0.41 0.00 0.00 0.00 179.25 179.07 3ixl n GLY 18 N -1.27 -0.09 3.83 0.00 0.00 -0.88 -4.78 105.19 102.00 3ixl n GLY 18 Ca -0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3ixl n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixl s LEU 19 N -5.30 4.11 0.11 0.99 1.43 -1.26 -4.14 118.68 114.61 3ixl s LEU 19 Ca 0.31 1.43 -0.31 0.00 -1.03 0.00 0.00 54.13 54.53 3ixl s LEU 19 Cb -0.14 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 3ixl s LEU 19 CO 0.51 -0.19 1.55 -0.69 0.23 0.00 0.00 176.35 177.76 3ixl s VAL 20 N -1.92 3.00 0.39 -1.59 1.01 -1.26 -4.88 120.40 115.15 3ixl s VAL 20 Ca 0.54 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.87 3ixl s VAL 20 Cb -0.12 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 3ixl s VAL 20 CO 0.18 0.03 1.25 -2.65 0.00 0.00 0.00 175.10 173.90 3ixl n PRO 21 N 4.67 1.94 0.31 2.72 -0.02 -1.26 -4.84 135.00 138.52 3ixl n PRO 21 Ca 0.14 0.69 0.17 0.00 -2.02 0.00 0.00 63.50 62.48 3ixl n PRO 21 Cb 0.40 -2.32 0.99 0.00 -0.02 0.00 0.00 33.50 32.56 3ixl n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixl h ALA 22 N 2.20 1.36 0.00 3.55 0.00 -1.97 -2.59 119.26 121.82 3ixl h ALA 22 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3ixl h ALA 22 Cb 1.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ixl h ALA 22 CO 0.61 0.01 -0.12 -0.44 0.00 0.00 0.00 179.25 179.30 3ixl h ASP 23 N 0.00 0.00 -0.83 0.00 3.32 -1.97 -3.16 116.42 113.78 3ixl h ASP 23 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ixl h ASP 23 Cb 0.03 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3ixl h ASP 23 CO 0.00 0.12 0.45 1.23 -1.72 0.00 0.00 179.24 179.32 3ixl h GLY 24 N 0.73 1.24 2.00 2.75 0.00 -1.82 -0.01 103.07 107.96 3ixl h GLY 24 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3ixl h GLY 24 CO 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 176.54 177.00 3ixl h ALA 25 N 1.24 1.16 0.04 3.60 0.00 -1.78 -0.54 119.26 122.99 3ixl h ALA 25 Ca 0.29 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 3ixl h ALA 25 Cb 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ixl h ALA 25 CO -0.05 0.14 -1.84 0.54 0.00 0.00 0.00 179.25 178.04 3ixl n ARG 26 N -3.46 0.64 -0.04 0.00 1.74 -0.86 -3.75 116.66 110.94 3ixl n ARG 26 Ca -0.01 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 3ixl n ARG 26 Cb 0.26 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 3ixl n ARG 26 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ixl h LEU 27 N -0.53 0.31 -5.99 0.55 3.38 -0.99 -3.40 115.31 108.64 3ixl h LEU 27 Ca -0.45 -0.51 -0.56 0.00 0.09 0.00 0.00 57.88 56.45 3ixl h LEU 27 Cb 1.66 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.93 3ixl h LEU 27 CO -0.13 0.76 -0.94 -1.22 0.09 0.00 0.00 178.44 176.99 3ixl n TYR 28 N -4.60 1.18 0.30 1.13 4.02 -0.21 -1.30 117.16 117.68 3ixl n TYR 28 Ca -0.07 -3.80 0.17 0.00 -0.01 0.00 0.00 57.90 54.20 3ixl n TYR 28 Cb 0.36 -0.43 0.96 0.00 -0.02 0.00 0.00 39.34 40.21 3ixl n TYR 28 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ixl h PRO 29 N 3.81 0.00 -0.64 -0.72 0.13 -1.65 -2.08 132.00 130.85 3ixl h PRO 29 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ixl h PRO 29 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3ixl h PRO 29 CO 0.60 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 3ixl n ASP 30 N -3.48 4.23 -4.67 1.44 8.00 -1.26 -4.91 116.55 115.89 3ixl n ASP 30 Ca -0.02 -2.24 -0.35 0.00 0.71 0.00 0.00 54.79 52.89 3ixl n ASP 30 Cb 0.13 -0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.63 3ixl n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ixl s LEU 31 N -1.45 3.55 -0.05 0.64 1.43 -0.78 -5.10 118.68 116.90 3ixl s LEU 31 Ca 0.47 0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 3ixl s LEU 31 Cb 0.28 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3ixl s LEU 31 CO 0.27 0.36 0.77 -2.16 0.23 0.00 0.00 176.35 175.83 3ixl s PRO 32 N -0.79 4.46 -0.01 1.29 0.04 -1.26 -5.00 135.00 133.73 3ixl s PRO 32 Ca 0.12 1.02 0.07 0.00 0.04 0.00 0.00 61.00 62.25 3ixl s PRO 32 Cb -0.11 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 3ixl s PRO 32 CO 0.02 0.02 -0.23 -0.06 0.04 0.00 0.00 177.00 176.79 3ixl s PHE 33 N 0.91 2.07 0.14 0.56 0.40 -1.26 -1.92 117.98 118.87 3ixl s PHE 33 Ca 0.41 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 3ixl s PHE 33 Cb -0.18 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3ixl s PHE 33 CO 0.20 -0.01 -0.18 0.96 0.70 0.00 0.00 175.22 176.90 3ixl s ILE 34 N -0.59 1.66 0.05 0.64 -4.36 -0.33 -4.94 121.20 113.33 3ixl s ILE 34 Ca 0.09 -1.76 -0.02 0.00 -0.26 0.00 0.00 60.65 58.70 3ixl s ILE 34 Cb -0.09 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.91 3ixl s ILE 34 CO -0.00 -0.27 0.00 0.00 0.24 0.00 0.00 174.94 174.91 3ixl s ALA 35 N -1.82 0.36 -0.04 2.27 0.00 -1.26 -0.45 121.76 120.81 3ixl s ALA 35 Ca 0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3ixl s ALA 35 Cb -0.07 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3ixl s ALA 35 CO 0.05 -0.36 0.09 0.45 0.00 0.00 0.00 175.76 175.99 3ixl s SER 36 N -2.72 -0.04 -0.15 0.00 0.15 -0.38 -4.86 113.70 105.70 3ixl s SER 36 Ca 0.04 0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.79 3ixl s SER 36 Cb 0.05 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 3ixl s SER 36 CO -0.09 -0.12 0.13 -0.83 1.20 0.00 0.00 173.24 173.53 3ixl s GLY 37 N 0.98 2.10 0.09 9.45 0.00 -1.26 -1.25 107.32 117.43 3ixl s GLY 37 Ca -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 43.99 3ixl s GLY 37 CO -0.04 -0.20 1.19 1.41 0.00 0.00 0.00 173.10 175.46 3ixl h LEU 38 N 5.59 0.20 -0.59 0.66 3.38 -1.01 -3.45 115.31 120.10 3ixl h LEU 38 Ca -0.50 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 3ixl h LEU 38 Cb 1.20 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3ixl h LEU 38 CO 0.64 1.17 -0.04 0.61 0.09 0.00 0.00 178.44 180.91 3ixl n GLY 39 N 1.45 0.67 3.73 0.83 0.00 0.02 -4.85 105.19 107.04 3ixl n GLY 39 Ca -0.05 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3ixl n GLY 39 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ixl n LEU 40 N -0.61 4.17 -0.02 0.99 7.94 0.30 -4.79 117.00 124.98 3ixl n LEU 40 Ca -0.01 1.13 -0.10 0.00 -1.11 0.00 0.00 56.01 55.92 3ixl n LEU 40 Cb 0.51 -1.57 -0.14 0.00 0.53 0.00 0.00 43.42 42.74 3ixl n LEU 40 CO 0.04 0.11 -0.53 1.23 -1.11 0.00 0.00 177.39 177.12 3ixl h GLY 41 N 5.20 0.03 -3.68 -3.96 0.00 -1.90 -3.46 103.07 95.31 3ixl h GLY 41 Ca -0.46 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3ixl h GLY 41 CO 0.83 0.06 0.16 -1.35 0.00 0.00 0.00 176.54 176.24 3ixl s SER 42 N -6.19 -0.58 -1.30 0.19 1.04 -1.26 -4.83 113.70 100.77 3ixl s SER 42 Ca -0.06 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 3ixl s SER 42 Cb 0.08 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.88 3ixl s SER 42 CO 0.82 -0.72 1.88 0.52 0.98 0.00 0.00 173.24 176.72 3ixl n VAL 43 N 0.48 4.19 -3.85 5.02 0.31 0.74 -4.28 118.33 120.93 3ixl n VAL 43 Ca -0.18 -4.20 -0.10 0.00 -0.01 0.00 0.00 64.34 59.84 3ixl n VAL 43 Cb 0.60 -2.41 -0.08 0.00 -0.91 0.00 0.00 33.84 31.04 3ixl n VAL 43 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ixl s THR 44 N 1.05 0.12 0.29 2.52 -4.23 -1.26 -4.74 115.64 109.38 3ixl s THR 44 Ca 0.41 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 3ixl s THR 44 Cb 0.09 -1.01 0.28 0.00 1.34 0.00 0.00 72.50 73.19 3ixl s THR 44 CO -0.01 -0.54 1.73 -0.65 -0.54 0.00 0.00 174.62 174.61 3ixl h PRO 45 N 3.30 0.52 -0.93 3.99 0.11 -1.98 0.15 132.00 137.16 3ixl h PRO 45 Ca -0.33 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.78 3ixl h PRO 45 Cb 1.19 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3ixl h PRO 45 CO 0.50 0.34 0.61 0.93 -0.21 0.00 0.00 178.00 180.17 3ixl h GLU 46 N 0.53 1.18 -0.29 1.05 3.07 -1.97 0.06 114.58 118.20 3ixl h GLU 46 Ca 0.55 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.30 3ixl h GLU 46 Cb 0.95 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3ixl h GLU 46 CO -0.46 0.78 0.05 0.78 -1.40 0.00 0.00 179.01 178.76 3ixl h GLY 47 N 1.21 0.52 0.92 -3.84 0.00 -1.15 -3.12 103.07 97.61 3ixl h GLY 47 Ca 0.35 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.36 3ixl h GLY 47 CO -0.10 0.32 0.44 -0.97 0.00 0.00 0.00 176.54 176.24 3ixl h TYR 48 N 0.30 0.84 -0.13 5.60 0.05 -0.28 -2.25 116.97 121.10 3ixl h TYR 48 Ca 0.09 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.93 3ixl h TYR 48 Cb 0.34 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3ixl h TYR 48 CO 0.02 0.50 0.09 -0.44 -1.05 0.00 0.00 178.16 177.28 3ixl h ASP 49 N 0.88 0.00 1.38 3.88 3.32 -0.94 0.66 116.42 125.60 3ixl h ASP 49 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ixl h ASP 49 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3ixl h ASP 49 CO -0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 3ixl h ALA 50 N 1.94 1.00 0.00 3.45 0.00 -1.35 -3.35 119.26 120.94 3ixl h ALA 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ixl h ALA 50 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ixl h ALA 50 CO -0.00 0.00 -0.41 1.33 0.00 0.00 0.00 179.25 180.17 3ixl n VAL 51 N -2.57 0.00 0.01 0.00 0.24 -0.71 -4.83 118.33 110.48 3ixl n VAL 51 Ca 0.04 -0.18 0.09 0.00 -2.04 0.00 0.00 64.34 62.25 3ixl n VAL 51 Cb 0.40 0.67 0.52 0.00 -1.47 0.00 0.00 33.84 33.95 3ixl n VAL 51 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 3ixl h ILE 52 N 0.00 0.97 0.00 1.34 6.09 -1.04 -1.04 117.51 123.82 3ixl h ILE 52 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3ixl h ILE 52 Cb 0.00 0.59 0.00 0.00 0.47 0.00 0.00 36.82 37.88 3ixl h ILE 52 CO 0.00 0.06 0.00 -0.33 -3.07 0.00 0.00 178.15 174.81 3ixl h GLU 53 N 0.35 0.00 -0.00 2.19 5.08 -1.84 -2.85 114.58 117.51 3ixl h GLU 53 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3ixl h GLU 53 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ixl h GLU 53 CO -0.04 0.00 -0.35 -1.13 -1.00 0.00 0.00 179.01 176.49 3ixl n SER 54 N -2.65 0.56 -0.16 1.42 3.41 -0.40 -4.34 113.62 111.46 3ixl n SER 54 Ca 0.02 -0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.26 3ixl n SER 54 Cb 0.28 0.11 0.07 0.00 -0.26 0.00 0.00 64.21 64.40 3ixl n SER 54 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ixl h VAL 55 N 0.33 0.76 -1.00 -3.33 2.07 -1.59 -1.91 116.25 111.58 3ixl h VAL 55 Ca 0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3ixl h VAL 55 Cb 0.49 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3ixl h VAL 55 CO 0.00 0.05 0.66 0.58 0.02 0.00 0.00 177.57 178.88 3ixl h VAL 56 N 0.29 1.26 -0.44 2.57 2.07 -1.82 -0.50 116.25 119.67 3ixl h VAL 56 Ca 0.25 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3ixl h VAL 56 Cb 0.31 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3ixl h VAL 56 CO -0.29 0.25 -0.08 0.44 0.02 0.00 0.00 177.57 177.90 3ixl h ASP 57 N 1.36 0.76 -0.32 0.57 3.32 -1.66 -1.45 116.42 119.00 3ixl h ASP 57 Ca 0.37 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3ixl h ASP 57 Cb -0.16 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 3ixl h ASP 57 CO -0.08 0.88 -0.24 0.45 -1.72 0.00 0.00 179.24 178.52 3ixl h HIS 58 N 0.71 0.93 -0.49 4.55 3.86 -0.70 -1.47 115.15 122.54 3ixl h HIS 58 Ca 0.12 -0.22 0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3ixl h HIS 58 Cb 0.55 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 3ixl h HIS 58 CO 0.03 0.97 0.25 0.00 0.86 0.00 0.00 177.93 180.04 3ixl h ALA 59 N 1.02 0.62 -0.81 2.45 0.00 -0.71 -1.70 119.26 120.14 3ixl h ALA 59 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ixl h ALA 59 Cb 0.77 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3ixl h ALA 59 CO 0.06 -0.09 0.40 0.00 0.00 0.00 0.00 179.25 179.63 3ixl h ARG 60 N 0.50 1.15 -0.21 0.00 3.08 -1.05 -0.90 114.38 116.95 3ixl h ARG 60 Ca 0.21 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3ixl h ARG 60 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ixl h ARG 60 CO -0.14 0.88 0.10 -0.09 -1.07 0.00 0.00 179.97 179.65 3ixl h ARG 61 N 1.14 0.21 -0.75 0.04 2.43 -0.90 -0.83 114.38 115.71 3ixl h ARG 61 Ca 0.28 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 3ixl h ARG 61 Cb 0.10 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3ixl h ARG 61 CO -0.04 0.14 0.40 -0.07 -1.51 0.00 0.00 179.97 178.89 3ixl h LEU 62 N 0.22 0.94 -0.36 3.80 3.38 -1.02 -1.30 115.31 120.96 3ixl h LEU 62 Ca 0.09 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ixl h LEU 62 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3ixl h LEU 62 CO -0.06 0.76 0.19 -0.61 0.09 0.00 0.00 178.44 178.81 3ixl h GLN 63 N 1.05 0.38 -0.32 1.13 -0.00 -0.79 -1.76 115.11 114.79 3ixl h GLN 63 Ca 0.26 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.87 3ixl h GLN 63 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 3ixl h GLN 63 CO -0.04 0.25 0.13 0.87 0.00 0.00 0.00 178.83 180.04 3ixl h LYS 64 N 0.39 0.45 0.00 1.69 1.57 -0.47 -0.64 116.57 119.56 3ixl h LYS 64 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3ixl h LYS 64 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ixl h LYS 64 CO -0.09 0.38 0.00 1.04 -0.57 0.00 0.00 179.45 180.21 3ixl n GLN 65 N -4.40 0.49 -0.22 3.15 6.02 -0.56 -4.87 117.38 116.98 3ixl n GLN 65 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3ixl n GLN 65 Cb 0.14 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3ixl n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixl n GLY 66 N 0.37 0.88 3.69 1.08 0.00 -0.25 -5.05 105.19 105.91 3ixl n GLY 66 Ca 0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3ixl n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixl n ALA 67 N -1.33 1.12 0.05 4.61 0.00 -0.70 -4.53 120.51 119.72 3ixl n ALA 67 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.79 3ixl n ALA 67 Cb 0.00 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.16 3ixl n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ixl h ALA 68 N 2.40 0.65 -2.58 0.00 0.00 -0.88 -3.44 119.26 115.41 3ixl h ALA 68 Ca -0.46 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 53.58 3ixl h ALA 68 Cb 1.29 0.22 -0.18 0.00 0.00 0.00 0.00 17.79 19.13 3ixl h ALA 68 CO 0.62 0.84 -0.38 0.14 0.00 0.00 0.00 179.25 180.47 3ixl s VAL 69 N -2.95 0.10 -0.07 0.00 -7.23 -1.24 -4.22 120.40 104.80 3ixl s VAL 69 Ca -0.02 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 3ixl s VAL 69 Cb 0.09 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 36.17 3ixl s VAL 69 CO 0.80 -0.46 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.29 3ixl s VAL 70 N -2.42 1.32 -0.08 1.32 1.01 -0.63 -0.74 120.40 120.17 3ixl s VAL 70 Ca -0.06 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3ixl s VAL 70 Cb -0.02 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 3ixl s VAL 70 CO -0.03 0.39 -0.23 -0.55 0.00 0.00 0.00 175.10 174.68 3ixl s SER 71 N 0.48 2.97 -0.63 3.32 0.15 -0.16 -1.04 113.70 118.79 3ixl s SER 71 Ca -0.13 -0.52 -0.28 0.00 0.70 0.00 0.00 55.95 55.72 3ixl s SER 71 Cb -0.15 -1.15 0.03 0.00 -1.71 0.00 0.00 66.02 63.04 3ixl s SER 71 CO 0.04 0.18 1.23 -0.22 1.20 0.00 0.00 173.24 175.67 3ixl s LEU 72 N 0.17 3.35 -1.19 3.45 2.96 -0.37 -0.86 118.68 126.19 3ixl s LEU 72 Ca -0.13 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3ixl s LEU 72 Cb -0.16 -2.96 0.08 0.00 0.50 0.00 0.00 46.19 43.65 3ixl s LEU 72 CO 0.07 -1.61 2.54 0.23 -1.32 0.00 0.00 176.35 176.25 3ixl n MET 73 N 8.76 4.13 -3.68 1.98 2.81 0.52 -0.59 117.12 131.05 3ixl n MET 73 Ca 0.07 -3.11 -0.12 0.00 -1.81 0.00 0.00 57.70 52.73 3ixl n MET 73 Cb 0.49 -2.56 -0.12 0.00 -0.71 0.00 0.00 33.22 30.32 3ixl n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ixl h THR 75 N 6.04 0.74 -0.18 0.00 2.02 -1.87 -3.18 112.91 116.48 3ixl h THR 75 Ca -0.24 -0.91 -0.12 0.00 0.77 0.00 0.00 66.41 65.91 3ixl h THR 75 Cb 1.13 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3ixl h THR 75 CO 0.21 0.17 -0.40 0.77 0.37 0.00 0.00 175.52 176.64 3ixl h SER 76 N -0.84 0.43 -0.05 4.18 4.64 -1.97 -0.35 113.55 119.59 3ixl h SER 76 Ca -0.03 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3ixl h SER 76 Cb 0.51 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3ixl h SER 76 CO 0.05 0.79 0.02 0.25 -0.87 0.00 0.00 176.83 177.07 3ixl h LEU 77 N 0.34 0.08 0.00 5.97 5.85 -1.99 -1.11 115.31 124.45 3ixl h LEU 77 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ixl h LEU 77 Cb 0.85 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3ixl h LEU 77 CO 0.07 0.09 -1.23 -1.54 -0.34 0.00 0.00 178.44 175.49 3ixl n SER 78 N -4.50 0.60 -0.00 1.25 3.41 -0.63 -4.40 113.62 109.35 3ixl n SER 78 Ca -0.02 0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.81 3ixl n SER 78 Cb 0.11 0.87 -0.09 0.00 -0.26 0.00 0.00 64.21 64.83 3ixl n SER 78 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3ixl n PHE 79 N -2.43 0.00 0.30 7.33 1.16 -0.24 -3.82 117.46 119.77 3ixl n PHE 79 Ca -0.00 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 55.75 3ixl n PHE 79 Cb 0.53 -0.07 0.80 0.00 -1.61 0.00 0.00 39.48 39.13 3ixl n PHE 79 CO 0.00 0.00 0.00 0.10 -1.87 0.00 0.00 176.76 174.99 3ixl h TYR 80 N 0.00 0.00 -0.19 2.97 -0.00 -1.41 -1.16 116.97 117.17 3ixl h TYR 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ixl h TYR 80 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.16 3ixl h TYR 80 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.70 3ixl n ARG 81 N -2.79 1.81 0.00 0.10 1.74 -1.26 -4.98 116.66 111.27 3ixl n ARG 81 Ca -0.01 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 3ixl n ARG 81 Cb 0.18 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3ixl n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ixl n GLY 82 N 0.93 0.89 0.30 -0.13 0.00 -0.44 -4.56 105.19 102.18 3ixl n GLY 82 Ca 0.12 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 3ixl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixl h ALA 83 N 0.00 0.81 -0.92 4.61 0.00 -1.87 -2.85 119.26 119.05 3ixl h ALA 83 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ixl h ALA 83 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3ixl h ALA 83 CO 0.00 0.61 0.60 0.00 0.00 0.00 0.00 179.25 180.46 3ixl h ALA 84 N 1.00 1.17 -0.42 0.00 0.00 -1.97 -2.06 119.26 116.98 3ixl h ALA 84 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3ixl h ALA 84 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ixl h ALA 84 CO 0.02 0.53 -0.28 0.35 0.00 0.00 0.00 179.25 179.87 3ixl h PHE 85 N 1.22 1.06 -0.55 0.00 3.57 -1.77 0.51 116.94 120.98 3ixl h PHE 85 Ca 0.34 -0.28 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3ixl h PHE 85 Cb -0.11 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.32 3ixl h PHE 85 CO -0.01 1.08 0.15 -0.97 -2.23 0.00 0.00 178.31 176.32 3ixl h ASN 86 N 0.77 0.07 -0.36 0.41 -1.24 -1.25 0.14 115.58 114.13 3ixl h ASN 86 Ca 0.09 0.09 -0.07 0.00 0.71 0.00 0.00 56.30 57.12 3ixl h ASN 86 Cb 0.85 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 3ixl h ASN 86 CO 0.07 0.06 -0.05 0.00 -1.29 0.00 0.00 177.43 176.22 3ixl h ALA 87 N 1.42 0.49 -0.51 1.57 0.00 -1.02 -2.34 119.26 118.87 3ixl h ALA 87 Ca 0.28 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3ixl h ALA 87 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ixl h ALA 87 CO -0.34 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.11 3ixl h ALA 88 N 0.84 0.83 -0.62 0.00 0.00 -0.48 -1.70 119.26 118.13 3ixl h ALA 88 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3ixl h ALA 88 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ixl h ALA 88 CO 0.03 0.65 0.23 1.25 0.00 0.00 0.00 179.25 181.42 3ixl h LEU 89 N 0.85 0.86 -0.46 0.00 5.85 -0.72 -0.66 115.31 121.04 3ixl h LEU 89 Ca 0.13 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3ixl h LEU 89 Cb 0.66 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3ixl h LEU 89 CO 0.05 0.81 0.27 0.74 -0.34 0.00 0.00 178.44 179.96 3ixl h THR 90 N 0.87 1.03 -0.67 1.05 2.02 -1.10 -0.89 112.91 115.22 3ixl h THR 90 Ca 0.20 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3ixl h THR 90 Cb 0.22 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3ixl h THR 90 CO -0.01 0.10 0.28 0.58 0.37 0.00 0.00 175.52 176.83 3ixl h VAL 91 N 0.53 1.24 -0.65 3.16 2.07 -1.07 -0.89 116.25 120.64 3ixl h VAL 91 Ca 0.19 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3ixl h VAL 91 Cb 0.03 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3ixl h VAL 91 CO -0.10 0.29 0.36 0.00 0.02 0.00 0.00 177.57 178.14 3ixl h ALA 92 N 1.12 0.83 -0.53 1.67 0.00 -0.76 0.40 119.26 121.99 3ixl h ALA 92 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ixl h ALA 92 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ixl h ALA 92 CO -0.02 0.34 0.34 0.52 0.00 0.00 0.00 179.25 180.43 3ixl h MET 93 N 0.89 0.71 -0.48 0.00 2.86 -0.86 -1.66 114.93 116.38 3ixl h MET 93 Ca 0.23 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3ixl h MET 93 Cb 0.03 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 3ixl h MET 93 CO -0.04 0.49 0.12 -0.09 1.06 0.00 0.00 176.91 178.45 3ixl h ARG 94 N 0.72 0.76 0.00 1.72 2.43 -0.73 -2.28 114.38 117.01 3ixl h ARG 94 Ca 0.19 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3ixl h ARG 94 Cb -0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3ixl h ARG 94 CO -0.04 0.74 -0.26 0.93 -1.51 0.00 0.00 179.97 179.83 3ixl h GLU 95 N 0.65 0.00 0.00 0.20 5.08 -0.79 0.32 114.58 120.04 3ixl h GLU 95 Ca 0.15 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3ixl h GLU 95 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ixl h GLU 95 CO 0.00 0.26 -0.37 0.00 -1.00 0.00 0.00 179.01 177.90 3ixl h ALA 96 N 1.74 0.83 0.00 3.43 0.00 -0.96 -3.39 119.26 120.90 3ixl h ALA 96 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ixl h ALA 96 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ixl h ALA 96 CO 0.03 0.46 -1.03 0.25 0.00 0.00 0.00 179.25 178.96 3ixl n THR 97 N -3.28 0.02 -1.15 0.00 -2.24 -0.89 -4.80 114.28 101.94 3ixl n THR 97 Ca 0.01 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 3ixl n THR 97 Cb 0.61 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3ixl n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixl n GLY 98 N 2.79 0.74 3.61 3.38 0.00 0.11 -5.02 105.19 110.80 3ixl n GLY 98 Ca -0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 3ixl n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixl s LEU 99 N -1.18 3.09 0.15 0.99 1.43 -1.25 -5.08 118.68 116.83 3ixl s LEU 99 Ca 0.00 -0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 52.17 3ixl s LEU 99 Cb 0.00 -1.69 -0.11 0.00 0.03 0.00 0.00 46.19 44.43 3ixl s LEU 99 CO 0.00 0.05 1.82 -2.84 0.23 0.00 0.00 176.35 175.61 3ixl s PRO 100 N -3.29 4.13 0.11 1.29 0.02 -1.26 -4.56 135.00 131.44 3ixl s PRO 100 Ca 0.29 2.62 0.07 0.00 0.02 0.00 0.00 61.00 64.00 3ixl s PRO 100 Cb -0.07 -3.47 -0.03 0.00 0.02 0.00 0.00 34.50 30.94 3ixl s PRO 100 CO 0.18 -0.83 -0.19 0.00 -0.33 0.00 0.00 177.00 175.83 3ixl s THR 102 N -1.36 0.00 0.09 0.00 -1.32 -0.21 -4.97 115.64 107.87 3ixl s THR 102 Ca 0.06 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.10 3ixl s THR 102 Cb -0.09 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.21 3ixl s THR 102 CO 0.04 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.83 3ixl s THR 103 N -2.98 0.46 0.44 5.08 -4.23 -1.26 -1.24 115.64 111.91 3ixl s THR 103 Ca 0.26 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 59.07 3ixl s THR 103 Cb -0.02 -1.68 0.21 0.00 1.34 0.00 0.00 72.50 72.36 3ixl s THR 103 CO 0.17 -0.87 2.02 -0.03 -0.54 0.00 0.00 174.62 175.37 3ixl h MET 104 N 3.01 0.00 -0.33 3.99 4.05 -1.02 0.21 114.93 124.84 3ixl h MET 104 Ca -0.35 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.99 3ixl h MET 104 Cb 1.16 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 3ixl h MET 104 CO 0.65 0.17 -0.11 0.77 0.23 0.00 0.00 176.91 178.61 3ixl h SER 105 N 0.00 0.67 -0.85 1.39 0.02 -1.78 -1.71 113.55 111.28 3ixl h SER 105 Ca -0.00 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3ixl h SER 105 Cb 0.32 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3ixl h SER 105 CO 0.02 0.90 0.50 0.74 -1.14 0.00 0.00 176.83 177.85 3ixl h THR 106 N 0.43 1.24 -0.49 -2.27 2.02 -1.81 -1.97 112.91 110.06 3ixl h THR 106 Ca 0.08 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.76 3ixl h THR 106 Cb 0.62 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 3ixl h THR 106 CO 0.04 0.25 0.26 0.00 0.37 0.00 0.00 175.52 176.44 3ixl h ALA 107 N 1.37 0.63 -0.04 6.16 0.00 -0.76 0.64 119.26 127.25 3ixl h ALA 107 Ca 0.31 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 3ixl h ALA 107 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ixl h ALA 107 CO -0.06 -0.08 -0.72 -0.39 0.00 0.00 0.00 179.25 178.00 3ixl h VAL 108 N 0.51 1.42 -0.37 0.00 -1.51 -1.06 -0.13 116.25 115.11 3ixl h VAL 108 Ca 0.21 -2.24 -0.01 0.00 -1.23 0.00 0.00 66.70 63.43 3ixl h VAL 108 Cb 0.10 2.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.43 3ixl h VAL 108 CO -0.14 0.66 0.20 -0.07 -1.23 0.00 0.00 177.57 177.00 3ixl h LEU 109 N 0.17 0.46 -0.79 4.19 3.38 -1.05 0.24 115.31 121.91 3ixl h LEU 109 Ca -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3ixl h LEU 109 Cb 1.29 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3ixl h LEU 109 CO 0.11 0.41 0.39 0.78 0.09 0.00 0.00 178.44 180.22 3ixl h ASN 110 N 0.47 1.03 -0.32 -0.43 2.35 -0.66 -1.63 115.58 116.39 3ixl h ASN 110 Ca 0.13 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3ixl h ASN 110 Cb 0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3ixl h ASN 110 CO -0.02 0.87 -0.02 1.23 -1.65 0.00 0.00 177.43 177.83 3ixl h GLY 111 N 1.11 0.63 0.98 2.83 0.00 -0.73 -0.37 103.07 107.52 3ixl h GLY 111 Ca 0.27 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3ixl h GLY 111 CO -0.04 0.44 0.33 1.41 0.00 0.00 0.00 176.54 178.69 3ixl h LEU 112 N 0.38 0.57 -0.59 3.11 3.38 -0.81 -2.15 115.31 119.20 3ixl h LEU 112 Ca 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ixl h LEU 112 Cb 0.48 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3ixl h LEU 112 CO 0.02 0.41 0.17 0.03 0.09 0.00 0.00 178.44 179.16 3ixl h ARG 113 N 0.68 0.93 -0.44 1.13 3.08 -1.19 -0.26 114.38 118.31 3ixl h ARG 113 Ca 0.19 -0.21 0.09 0.00 0.07 0.00 0.00 59.98 60.12 3ixl h ARG 113 Cb -0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3ixl h ARG 113 CO -0.05 0.84 0.30 0.00 -1.07 0.00 0.00 179.97 179.99 3ixl h ALA 114 N 1.05 2.13 -0.52 0.04 0.00 -0.76 -1.53 119.26 119.67 3ixl h ALA 114 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ixl h ALA 114 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ixl h ALA 114 CO -0.00 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.30 3ixl n LEU 115 N -4.46 3.49 -1.67 0.00 4.77 -0.83 -4.96 117.00 113.34 3ixl n LEU 115 Ca 0.07 -1.62 -0.13 0.00 -0.03 0.00 0.00 56.01 54.29 3ixl n LEU 115 Cb 0.35 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3ixl n LEU 115 CO 0.35 0.81 -0.10 0.61 -1.33 0.00 0.00 177.39 177.73 3ixl n GLY 116 N 1.54 -0.12 3.55 -0.72 0.00 -0.57 -4.96 105.19 103.91 3ixl n GLY 116 Ca 0.21 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3ixl n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixl s VAL 117 N -2.76 5.10 -0.19 1.61 1.01 -0.16 -4.89 120.40 120.12 3ixl s VAL 117 Ca 0.08 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3ixl s VAL 117 Cb -0.03 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 3ixl s VAL 117 CO 0.10 -0.13 -0.23 -1.14 0.00 0.00 0.00 175.10 173.70 3ixl n ARG 118 N 5.54 0.41 -3.32 2.72 3.00 -1.26 -4.47 116.66 119.27 3ixl n ARG 118 Ca -0.07 0.16 -0.40 0.00 -0.00 0.00 0.00 57.85 57.54 3ixl n ARG 118 Cb 0.49 -1.21 -0.09 0.00 0.00 0.00 0.00 32.46 31.65 3ixl n ARG 118 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3ixl s ARG 119 N -2.35 3.78 -0.12 -0.14 0.52 -1.26 -0.35 118.95 119.03 3ixl s ARG 119 Ca -0.26 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3ixl s ARG 119 Cb 0.10 -3.74 0.02 0.00 0.52 0.00 0.00 34.95 31.85 3ixl s ARG 119 CO 0.35 -0.47 -0.11 0.54 0.02 0.00 0.00 175.30 175.63 3ixl s VAL 120 N 2.20 1.27 0.29 3.52 0.11 0.10 -0.15 120.40 127.73 3ixl s VAL 120 Ca 0.16 -0.45 -0.28 0.00 -2.93 0.00 0.00 61.98 58.48 3ixl s VAL 120 Cb -0.16 -1.23 -0.09 0.00 -1.53 0.00 0.00 36.38 33.37 3ixl s VAL 120 CO 0.11 0.41 0.97 0.00 -3.33 0.00 0.00 175.10 173.26 3ixl s ALA 121 N 1.51 3.28 -0.19 1.54 0.00 -0.43 -0.96 121.76 126.51 3ixl s ALA 121 Ca 0.03 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 3ixl s ALA 121 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3ixl s ALA 121 CO -0.08 0.13 0.01 -0.51 0.00 0.00 0.00 175.76 175.30 3ixl s LEU 122 N -1.63 3.36 -0.24 0.00 1.43 0.82 -0.54 118.68 121.88 3ixl s LEU 122 Ca 0.46 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3ixl s LEU 122 Cb -0.24 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.20 3ixl s LEU 122 CO 0.30 0.10 -0.06 0.00 0.23 0.00 0.00 176.35 176.92 3ixl s ALA 123 N 0.76 2.13 0.24 4.21 0.00 0.11 -1.26 121.76 127.95 3ixl s ALA 123 Ca 0.01 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.52 3ixl s ALA 123 Cb -0.14 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 3ixl s ALA 123 CO 0.02 -1.21 -0.01 0.95 0.00 0.00 0.00 175.76 175.52 3ixl s THR 124 N 1.31 1.08 -1.27 0.00 -4.23 -0.50 -0.91 115.64 111.12 3ixl s THR 124 Ca -0.06 -2.04 0.26 0.00 -1.18 0.00 0.00 61.69 58.67 3ixl s THR 124 Cb -0.19 -2.37 0.15 0.00 1.34 0.00 0.00 72.50 71.43 3ixl s THR 124 CO -0.06 -0.31 1.56 0.00 -0.54 0.00 0.00 174.62 175.27 3ixl n ALA 125 N -0.44 3.21 -2.16 3.99 0.00 -0.95 -1.24 120.51 122.91 3ixl n ALA 125 Ca -0.05 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 3ixl n ALA 125 Cb 0.64 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.93 3ixl n ALA 125 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ixl s TYR 126 N -2.81 3.10 0.71 0.00 4.12 -1.26 -0.24 117.35 120.97 3ixl s TYR 126 Ca 0.17 0.22 -0.11 0.00 0.02 0.00 0.00 57.07 57.36 3ixl s TYR 126 Cb 0.18 -2.55 0.02 0.00 -1.52 0.00 0.00 41.96 38.09 3ixl s TYR 126 CO 0.61 -0.63 1.09 0.96 0.02 0.00 0.00 175.55 177.60 3ixl s ILE 127 N -2.71 3.57 0.30 2.71 -4.36 -1.26 -1.91 121.20 117.54 3ixl s ILE 127 Ca 0.52 0.51 0.18 0.00 -0.26 0.00 0.00 60.65 61.60 3ixl s ILE 127 Cb -0.10 -3.44 0.15 0.00 1.25 0.00 0.00 42.46 40.32 3ixl s ILE 127 CO 0.39 -0.67 1.84 0.44 0.24 0.00 0.00 174.94 177.19 3ixl h ASP 128 N -0.71 0.00 -0.70 4.36 3.32 -1.98 -1.78 116.42 118.93 3ixl h ASP 128 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ixl h ASP 128 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3ixl h ASP 128 CO 0.62 0.33 0.46 -0.78 -1.72 0.00 0.00 179.24 178.14 3ixl h ASP 129 N 0.00 0.81 -0.43 6.45 3.58 -1.99 0.11 116.42 124.95 3ixl h ASP 129 Ca -0.00 -0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 3ixl h ASP 129 Cb 0.69 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 3ixl h ASP 129 CO 0.04 0.60 -0.30 0.58 -2.88 0.00 0.00 179.24 177.28 3ixl h VAL 130 N 0.95 1.27 -0.87 2.25 2.07 -1.76 -2.37 116.25 117.78 3ixl h VAL 130 Ca 0.26 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ixl h VAL 130 Cb -0.09 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ixl h VAL 130 CO -0.05 0.50 0.53 0.78 0.02 0.00 0.00 177.57 179.34 3ixl h ASN 131 N 0.81 1.05 -0.62 0.57 2.35 -0.88 -0.33 115.58 118.53 3ixl h ASN 131 Ca 0.09 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3ixl h ASN 131 Cb 0.89 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3ixl h ASN 131 CO 0.08 0.80 0.17 -0.33 -1.65 0.00 0.00 177.43 176.51 3ixl h GLU 132 N 1.20 0.97 -0.47 0.81 5.08 -0.70 -1.13 114.58 120.35 3ixl h GLU 132 Ca 0.31 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3ixl h GLU 132 Cb -0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3ixl h GLU 132 CO -0.06 0.87 -0.06 0.00 -1.00 0.00 0.00 179.01 178.76 3ixl h ARG 133 N 0.89 0.83 -0.00 2.33 3.08 -0.95 -0.90 114.38 119.66 3ixl h ARG 133 Ca 0.20 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3ixl h ARG 133 Cb 0.32 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3ixl h ARG 133 CO -0.00 0.87 0.00 1.25 -1.07 0.00 0.00 179.97 181.02 3ixl h LEU 134 N 0.76 0.01 -0.88 3.04 5.85 -0.83 -0.65 115.31 122.61 3ixl h LEU 134 Ca 0.13 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3ixl h LEU 134 Cb 0.55 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 3ixl h LEU 134 CO 0.03 0.08 0.56 0.00 -0.34 0.00 0.00 178.44 178.77 3ixl h ALA 135 N 0.93 1.18 -0.52 1.25 0.00 -0.96 -0.76 119.26 120.37 3ixl h ALA 135 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ixl h ALA 135 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ixl h ALA 135 CO -0.00 0.38 0.11 0.00 0.00 0.00 0.00 179.25 179.74 3ixl h ALA 136 N 1.38 0.69 -0.07 0.00 0.00 -1.00 -1.37 119.26 118.89 3ixl h ALA 136 Ca 0.36 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ixl h ALA 136 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ixl h ALA 136 CO -0.14 0.41 0.00 0.35 0.00 0.00 0.00 179.25 179.87 3ixl h PHE 137 N 0.74 -0.00 -0.71 0.00 3.57 -0.68 -0.57 116.94 119.29 3ixl h PHE 137 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3ixl h PHE 137 Cb 0.37 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3ixl h PHE 137 CO 0.03 -0.01 0.43 -0.07 -2.23 0.00 0.00 178.31 176.46 3ixl h LEU 138 N 0.03 0.86 -0.86 0.59 3.38 -1.01 -2.12 115.31 116.17 3ixl h LEU 138 Ca 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ixl h LEU 138 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3ixl h LEU 138 CO -0.06 0.67 0.43 0.00 0.09 0.00 0.00 178.44 179.58 3ixl h ALA 139 N 1.22 1.11 -0.07 1.53 0.00 -1.07 -0.81 119.26 121.17 3ixl h ALA 139 Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ixl h ALA 139 Cb -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3ixl h ALA 139 CO -0.05 0.66 0.05 0.93 0.00 0.00 0.00 179.25 180.84 3ixl h GLU 140 N 1.22 0.00 -0.63 0.00 5.08 -0.60 -2.02 114.58 117.63 3ixl h GLU 140 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3ixl h GLU 140 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ixl h GLU 140 CO -0.04 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.36 3ixl n GLU 141 N -4.43 4.31 -1.87 2.33 -0.58 -0.62 -4.92 120.64 114.87 3ixl n GLU 141 Ca -0.01 -2.79 -0.12 0.00 -0.42 0.00 0.00 57.16 53.82 3ixl n GLU 141 Cb 0.16 -2.12 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 3ixl n GLU 141 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3ixl n SER 142 N 0.65 -4.02 -4.87 1.62 7.64 -0.76 -5.03 113.62 108.86 3ixl n SER 142 Ca 0.25 0.11 -0.21 0.00 1.01 0.00 0.00 58.87 60.03 3ixl n SER 142 Cb 1.05 -2.96 -0.03 0.00 -1.01 0.00 0.00 64.21 61.26 3ixl n SER 142 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ixl s LEU 143 N -3.08 3.71 -0.34 -3.43 1.43 -0.41 -5.01 118.68 111.56 3ixl s LEU 143 Ca 0.00 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3ixl s LEU 143 Cb 0.00 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 43.99 3ixl s LEU 143 CO 0.00 -0.28 0.06 -0.69 0.23 0.00 0.00 176.35 175.66 3ixl s VAL 144 N -2.24 2.06 0.29 -1.59 1.01 0.53 -3.64 120.40 116.82 3ixl s VAL 144 Ca 0.39 -2.20 -0.29 0.00 0.00 0.00 0.00 61.98 59.88 3ixl s VAL 144 Cb -0.07 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.68 3ixl s VAL 144 CO 0.27 -0.61 1.31 -2.84 0.00 0.00 0.00 175.10 173.23 3ixl s PRO 145 N 1.01 4.37 0.00 2.72 0.02 -1.26 -0.73 135.00 141.13 3ixl s PRO 145 Ca 0.11 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3ixl s PRO 145 Cb -0.19 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3ixl s PRO 145 CO -0.11 -0.21 0.00 0.25 -0.33 0.00 0.00 177.00 176.60 3ixl n THR 146 N 1.47 0.00 -0.27 0.99 -2.24 -0.13 -4.85 114.28 109.24 3ixl n THR 146 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3ixl n THR 146 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3ixl n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixl n GLY 147 N 4.98 -2.45 3.64 3.38 0.00 -1.26 -4.85 105.19 108.63 3ixl n GLY 147 Ca 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 3ixl n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ixl s ARG 149 N -1.83 0.21 0.12 1.61 1.81 -0.39 -0.13 118.95 120.35 3ixl s ARG 149 Ca 0.00 0.15 -0.06 0.00 -1.72 0.00 0.00 55.73 54.11 3ixl s ARG 149 Cb 0.00 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.58 3ixl s ARG 149 CO 0.00 -0.04 0.16 -1.54 -0.68 0.00 0.00 175.30 173.19 3ixl s SER 150 N -0.39 0.19 0.01 0.23 1.04 -1.26 -1.42 113.70 112.11 3ixl s SER 150 Ca 0.06 -0.93 0.22 0.00 0.48 0.00 0.00 55.95 55.78 3ixl s SER 150 Cb -0.03 0.34 -0.13 0.00 0.10 0.00 0.00 66.02 66.30 3ixl s SER 150 CO -0.09 -0.77 0.86 0.18 0.98 0.00 0.00 173.24 174.40 3ixl n LEU 151 N -0.10 0.59 -2.69 2.42 4.77 -0.37 -4.96 117.00 116.66 3ixl n LEU 151 Ca -0.10 -0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 55.52 3ixl n LEU 151 Cb 0.63 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3ixl n LEU 151 CO 0.26 0.10 0.08 0.61 -1.33 0.00 0.00 177.39 177.11 3ixl n GLY 152 N 1.39 -0.28 3.78 -0.72 0.00 -0.80 -4.91 105.19 103.65 3ixl n GLY 152 Ca 0.01 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3ixl n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixl s ILE 153 N -3.14 5.24 -0.26 -0.61 1.01 0.66 -4.64 121.20 119.46 3ixl s ILE 153 Ca 0.34 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.15 3ixl s ILE 153 Cb -0.15 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3ixl s ILE 153 CO 0.42 0.55 0.24 0.35 0.00 0.00 0.00 174.94 176.50 3ixl n THR 154 N 2.63 0.00 -3.02 2.92 -2.24 -1.26 -4.19 114.28 109.12 3ixl n THR 154 Ca -0.18 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.81 3ixl n THR 154 Cb 0.54 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 3ixl n THR 154 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ixl s GLY 155 N -1.38 2.76 0.06 3.38 0.00 -1.26 -0.19 107.32 110.70 3ixl s GLY 155 Ca 0.02 0.24 -0.26 0.00 0.00 0.00 0.00 44.72 44.72 3ixl s GLY 155 CO 0.19 1.04 1.60 -2.08 0.00 0.00 0.00 173.10 173.85 3ixl h VAL 156 N 4.13 0.87 -0.69 1.40 2.07 -1.93 -2.80 116.25 119.30 3ixl h VAL 156 Ca -0.44 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3ixl h VAL 156 Cb 1.20 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3ixl h VAL 156 CO 0.71 0.05 0.38 -0.33 0.02 0.00 0.00 177.57 178.40 3ixl h GLU 157 N -0.34 0.95 -0.57 1.57 3.07 -1.96 -2.65 114.58 114.66 3ixl h GLU 157 Ca -0.02 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 3ixl h GLU 157 Cb 0.26 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3ixl h GLU 157 CO 0.04 0.70 0.38 0.00 -1.40 0.00 0.00 179.01 178.72 3ixl h ALA 158 N 1.46 1.59 -0.42 3.43 0.00 -1.94 -2.40 119.26 120.97 3ixl h ALA 158 Ca 0.25 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ixl h ALA 158 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ixl h ALA 158 CO -0.04 0.38 -0.12 0.52 0.00 0.00 0.00 179.25 179.99 3ixl h MET 159 N 0.77 0.76 0.00 0.00 2.86 -1.20 -2.48 114.93 115.64 3ixl h MET 159 Ca 0.21 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ixl h MET 159 Cb -0.09 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3ixl h MET 159 CO -0.04 0.85 0.00 0.00 1.06 0.00 0.00 176.91 178.77 3ixl h ALA 160 N 1.18 1.00 0.00 6.32 0.00 -1.17 -2.84 119.26 123.75 3ixl h ALA 160 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ixl h ALA 160 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ixl h ALA 160 CO 0.04 0.00 -0.37 0.54 0.00 0.00 0.00 179.25 179.46 3ixl n ARG 161 N -2.65 0.08 -2.25 0.00 1.74 -0.93 -4.75 116.66 107.90 3ixl n ARG 161 Ca 0.00 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 3ixl n ARG 161 Cb 0.20 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 3ixl n ARG 161 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ixl s VAL 162 N -3.04 3.63 0.64 1.55 1.01 -1.07 -5.00 120.40 118.12 3ixl s VAL 162 Ca 0.11 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 63.10 3ixl s VAL 162 Cb 0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3ixl s VAL 162 CO 0.65 0.05 1.01 1.51 0.00 0.00 0.00 175.10 178.32 3ixl s ASP 163 N 1.42 5.79 0.18 3.32 1.47 -1.26 -4.65 116.67 122.94 3ixl s ASP 163 Ca 0.63 1.13 -0.14 0.00 1.18 0.00 0.00 52.55 55.35 3ixl s ASP 163 Cb -0.33 -2.09 0.13 0.00 -0.34 0.00 0.00 42.92 40.30 3ixl s ASP 163 CO 0.28 -1.07 1.76 0.74 0.68 0.00 0.00 175.17 177.56 3ixl h THR 164 N -0.38 0.87 -0.34 2.11 2.02 -1.94 -2.41 112.91 112.84 3ixl h THR 164 Ca -0.45 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 3ixl h THR 164 Cb 1.23 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3ixl h THR 164 CO 0.63 0.07 -0.07 0.00 0.37 0.00 0.00 175.52 176.51 3ixl h ALA 165 N 1.29 1.25 -0.77 6.16 0.00 -1.98 0.05 119.26 125.25 3ixl h ALA 165 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ixl h ALA 165 Cb 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3ixl h ALA 165 CO -0.20 0.49 0.36 1.15 0.00 0.00 0.00 179.25 181.05 3ixl h THR 166 N 0.52 1.25 -0.32 0.00 2.02 -1.87 -1.40 112.91 113.12 3ixl h THR 166 Ca 0.10 -0.72 -0.16 0.00 0.77 0.00 0.00 66.41 66.40 3ixl h THR 166 Cb 0.45 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3ixl h THR 166 CO 0.02 0.30 -0.44 -0.07 0.37 0.00 0.00 175.52 175.70 3ixl h LEU 167 N 1.10 0.88 -0.29 2.58 3.38 -0.86 -0.53 115.31 121.56 3ixl h LEU 167 Ca 0.26 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ixl h LEU 167 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ixl h LEU 167 CO -0.03 1.19 0.19 0.58 0.09 0.00 0.00 178.44 180.45 3ixl h VAL 168 N 0.65 1.07 -0.83 1.22 2.07 -0.88 -1.95 116.25 117.60 3ixl h VAL 168 Ca 0.04 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ixl h VAL 168 Cb 1.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3ixl h VAL 168 CO 0.10 0.07 0.36 -0.78 0.02 0.00 0.00 177.57 177.34 3ixl h ASP 169 N 0.38 1.11 -0.48 0.57 3.58 -1.12 -1.36 116.42 119.10 3ixl h ASP 169 Ca 0.11 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.43 3ixl h ASP 169 Cb -0.04 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 40.70 3ixl h ASP 169 CO -0.03 0.96 0.29 0.25 -2.88 0.00 0.00 179.24 177.83 3ixl h LEU 170 N 1.19 0.47 -0.42 2.28 5.85 -0.83 0.21 115.31 124.06 3ixl h LEU 170 Ca 0.28 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3ixl h LEU 170 Cb 0.17 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3ixl h LEU 170 CO -0.03 0.34 0.16 0.00 -0.34 0.00 0.00 178.44 178.57 3ixl h VAL 172 N 0.53 1.19 -0.77 0.00 2.07 -1.01 -0.91 116.25 117.35 3ixl h VAL 172 Ca 0.14 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3ixl h VAL 172 Cb 0.20 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3ixl h VAL 172 CO -0.01 0.22 0.27 0.03 0.02 0.00 0.00 177.57 178.10 3ixl h ARG 173 N 0.50 1.18 -0.61 1.57 3.08 -0.89 0.53 114.38 119.75 3ixl h ARG 173 Ca 0.13 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3ixl h ARG 173 Cb 0.19 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3ixl h ARG 173 CO -0.01 0.98 0.25 0.00 -1.07 0.00 0.00 179.97 180.12 3ixl h ALA 174 N 1.14 0.79 -0.49 0.04 0.00 -1.03 -2.32 119.26 117.40 3ixl h ALA 174 Ca 0.25 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3ixl h ALA 174 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ixl h ALA 174 CO -0.01 0.40 -0.19 0.35 0.00 0.00 0.00 179.25 179.80 3ixl h PHE 175 N 0.85 1.11 0.00 0.00 3.04 -0.88 -2.93 116.94 118.13 3ixl h PHE 175 Ca 0.20 -0.25 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 3ixl h PHE 175 Cb 0.19 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.43 3ixl h PHE 175 CO 0.01 1.07 -0.02 0.93 -2.02 0.00 0.00 178.31 178.27 3ixl h GLU 176 N 0.85 0.00 0.00 1.11 5.08 -0.68 -0.27 114.58 120.66 3ixl h GLU 176 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ixl h GLU 176 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3ixl h GLU 176 CO 0.06 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 3ixl h ALA 177 N 1.98 1.00 -0.65 3.43 0.00 -1.22 -3.37 119.26 120.42 3ixl h ALA 177 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3ixl h ALA 177 Cb 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.02 3ixl h ALA 177 CO 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.66 3ixl n ALA 178 N -1.85 -0.82 1.54 0.00 0.00 -0.21 -4.69 120.51 114.47 3ixl n ALA 178 Ca 0.03 -1.65 0.11 0.00 0.00 0.00 0.00 53.44 51.93 3ixl n ALA 178 Cb 0.31 -1.28 0.67 0.00 0.00 0.00 0.00 19.45 19.15 3ixl n ALA 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ixl n PRO 179 N 2.03 0.77 -0.78 0.00 -0.04 -0.60 -1.91 135.00 134.48 3ixl n PRO 179 Ca 0.14 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 3ixl n PRO 179 Cb 0.59 -1.46 0.38 0.00 -0.04 0.00 0.00 33.50 32.97 3ixl n PRO 179 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ixl n ASP 180 N -0.96 5.28 -4.79 3.54 5.75 -1.26 -4.99 116.55 119.12 3ixl n ASP 180 Ca 0.17 -2.83 -0.32 0.00 -0.01 0.00 0.00 54.79 51.80 3ixl n ASP 180 Cb 0.08 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 39.57 3ixl n ASP 180 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3ixl s SER 181 N -0.96 5.29 0.23 -1.12 0.01 -0.80 -4.98 113.70 111.36 3ixl s SER 181 Ca 0.52 1.82 0.16 0.00 1.31 0.00 0.00 55.95 59.76 3ixl s SER 181 Cb 0.39 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3ixl s SER 181 CO 0.17 -1.51 1.29 0.44 0.41 0.00 0.00 173.24 174.04 3ixl h ASP 182 N -0.21 0.00 -1.18 2.44 3.32 -0.89 -3.49 116.42 116.41 3ixl h ASP 182 Ca -0.46 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.80 3ixl h ASP 182 Cb 1.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 3ixl h ASP 182 CO 0.55 0.49 0.51 0.61 -1.72 0.00 0.00 179.24 179.68 3ixl n GLY 183 N 1.26 0.34 3.05 2.75 0.00 -1.16 -4.21 105.19 107.21 3ixl n GLY 183 Ca -0.01 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 3ixl n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixl s ILE 184 N -2.05 1.06 -0.30 -0.61 1.01 -0.57 -1.32 121.20 118.42 3ixl s ILE 184 Ca 0.17 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 3ixl s ILE 184 Cb -0.00 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 3ixl s ILE 184 CO -0.01 0.32 0.18 -0.22 0.00 0.00 0.00 174.94 175.22 3ixl s LEU 185 N 0.23 4.13 -0.51 2.97 2.96 0.30 -0.76 118.68 128.00 3ixl s LEU 185 Ca -0.05 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 3ixl s LEU 185 Cb -0.11 -2.08 0.09 0.00 0.50 0.00 0.00 46.19 44.60 3ixl s LEU 185 CO 0.02 -0.14 0.48 -0.22 -1.32 0.00 0.00 176.35 175.17 3ixl s LEU 186 N 1.70 5.76 -0.18 -0.68 2.96 0.20 -0.71 118.68 127.72 3ixl s LEU 186 Ca 0.06 -1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 52.44 3ixl s LEU 186 Cb -0.17 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3ixl s LEU 186 CO 0.09 -0.78 0.03 -0.55 -1.32 0.00 0.00 176.35 173.82 3ixl s SER 187 N 3.05 5.31 0.00 3.68 0.15 -0.09 -1.42 113.70 124.38 3ixl s SER 187 Ca 0.05 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.69 3ixl s SER 187 Cb -0.26 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3ixl s SER 187 CO 0.06 0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.41 3ixl n SER 188 N 3.64 0.00 0.00 5.45 2.88 -1.26 -2.25 113.62 122.08 3ixl n SER 188 Ca -0.17 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.47 3ixl n SER 188 Cb 0.52 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.55 3ixl n SER 188 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ixl n GLY 189 N 0.00 -0.71 0.01 0.46 0.00 -1.26 -2.64 105.19 101.04 3ixl n GLY 189 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3ixl n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixl n GLY 190 N 0.38 -1.23 3.83 -0.02 0.00 -1.26 -4.71 105.19 102.18 3ixl n GLY 190 Ca 0.14 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3ixl n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixl s LEU 191 N -3.12 4.29 -0.61 0.99 1.43 -1.08 -2.61 118.68 117.97 3ixl s LEU 191 Ca 0.10 1.33 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 3ixl s LEU 191 Cb 0.17 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.92 3ixl s LEU 191 CO 0.73 0.00 0.57 -0.76 0.23 0.00 0.00 176.35 177.12 3ixl s LEU 192 N -2.16 6.32 0.00 1.79 1.43 -1.26 -4.84 118.68 119.96 3ixl s LEU 192 Ca 0.44 -2.01 0.10 0.00 -1.03 0.00 0.00 54.13 51.62 3ixl s LEU 192 Cb -0.15 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.90 3ixl s LEU 192 CO 0.20 -0.79 0.72 0.35 0.23 0.00 0.00 176.35 177.06 3ixl n THR 193 N 4.93 0.00 -0.03 5.49 -2.24 -1.26 -4.70 114.28 116.47 3ixl n THR 193 Ca -0.07 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.29 3ixl n THR 193 Cb 0.42 1.16 0.37 0.00 -2.10 0.00 0.00 70.33 70.18 3ixl n THR 193 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ixl h LEU 194 N 1.52 0.53 0.00 3.22 3.38 -1.96 -1.27 115.31 120.73 3ixl h LEU 194 Ca 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3ixl h LEU 194 Cb 0.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ixl h LEU 194 CO 0.00 0.43 -0.42 0.44 0.09 0.00 0.00 178.44 178.98 3ixl h ASP 195 N 0.61 0.00 -0.14 -0.43 3.32 -1.94 -3.34 116.42 114.50 3ixl h ASP 195 Ca 0.16 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 3ixl h ASP 195 Cb 0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 3ixl h ASP 195 CO -0.03 0.18 -0.66 0.00 -1.72 0.00 0.00 179.24 177.01 3ixl h ALA 196 N 1.82 0.27 0.24 3.45 0.00 -1.55 -3.35 119.26 120.14 3ixl h ALA 196 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3ixl h ALA 196 Cb 1.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3ixl h ALA 196 CO 0.02 0.56 -0.38 0.82 0.00 0.00 0.00 179.25 180.27 3ixl h ILE 197 N 0.39 0.22 0.00 0.00 2.04 -1.52 -0.97 117.51 117.66 3ixl h ILE 197 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3ixl h ILE 197 Cb 1.29 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3ixl h ILE 197 CO 0.14 0.00 -0.13 1.55 0.00 0.00 0.00 178.15 179.71 3ixl h PRO 198 N -0.69 0.00 -0.25 2.37 0.13 -1.76 -1.35 132.00 130.46 3ixl h PRO 198 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 3ixl h PRO 198 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ixl h PRO 198 CO -0.15 0.13 -0.24 1.49 -0.23 0.00 0.00 178.00 178.99 3ixl h GLU 199 N 0.00 0.60 -0.36 0.86 4.57 -1.55 -0.90 114.58 117.80 3ixl h GLU 199 Ca -0.00 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3ixl h GLU 199 Cb 0.23 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3ixl h GLU 199 CO 0.02 0.91 0.17 0.28 -1.18 0.00 0.00 179.01 179.21 3ixl h VAL 200 N 0.31 1.17 -0.89 0.32 2.07 -0.81 -1.37 116.25 117.05 3ixl h VAL 200 Ca 0.04 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3ixl h VAL 200 Cb 0.80 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3ixl h VAL 200 CO 0.06 0.18 0.48 -0.33 0.02 0.00 0.00 177.57 177.98 3ixl h GLU 201 N 0.44 1.24 -0.07 1.57 5.08 -1.22 -0.69 114.58 120.93 3ixl h GLU 201 Ca 0.12 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ixl h GLU 201 Cb 0.13 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ixl h GLU 201 CO -0.01 0.91 0.04 -0.09 -1.00 0.00 0.00 179.01 178.86 3ixl h ARG 202 N 1.24 0.09 -0.17 2.33 2.43 -0.99 0.03 114.38 119.35 3ixl h ARG 202 Ca 0.31 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.30 3ixl h ARG 202 Cb 0.03 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3ixl h ARG 202 CO -0.05 0.09 -0.60 0.00 -1.51 0.00 0.00 179.97 177.90 3ixl h ARG 203 N 0.06 0.57 0.00 0.20 3.08 -0.96 -3.36 114.38 113.98 3ixl h ARG 203 Ca 0.02 -0.38 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 3ixl h ARG 203 Cb 0.02 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3ixl h ARG 203 CO -0.00 1.00 -2.00 1.28 -1.07 0.00 0.00 179.97 179.17 3ixl n LEU 204 N -3.94 0.00 -0.55 3.04 4.77 -0.29 -5.00 117.00 115.03 3ixl n LEU 204 Ca -0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 3ixl n LEU 204 Cb 0.64 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 3ixl n LEU 204 CO 0.48 0.16 -0.07 0.61 -1.33 0.00 0.00 177.39 177.24 3ixl n GLY 205 N 1.60 0.93 3.33 -0.72 0.00 -0.00 -5.03 105.19 105.30 3ixl n GLY 205 Ca -0.13 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 3ixl n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ixl s VAL 206 N -2.26 1.86 0.52 1.61 -7.23 -1.26 -5.09 120.40 108.56 3ixl s VAL 206 Ca 0.00 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 3ixl s VAL 206 Cb 0.00 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 35.06 3ixl s VAL 206 CO 0.00 -0.23 1.03 -2.16 -0.31 0.00 0.00 175.10 173.43 3ixl s PRO 207 N -2.57 3.70 -0.10 4.82 0.04 -1.26 -4.34 135.00 135.29 3ixl s PRO 207 Ca 0.14 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.41 3ixl s PRO 207 Cb -0.07 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3ixl s PRO 207 CO 0.06 -0.50 -0.20 0.08 0.04 0.00 0.00 177.00 176.49 3ixl s VAL 208 N -2.30 2.48 -0.21 -0.36 1.01 -1.26 -1.51 120.40 118.24 3ixl s VAL 208 Ca 0.64 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3ixl s VAL 208 Cb -0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3ixl s VAL 208 CO 0.28 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 175.23 3ixl s VAL 209 N 0.21 3.79 -0.06 2.92 1.01 0.06 -4.73 120.40 123.60 3ixl s VAL 209 Ca -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3ixl s VAL 209 Cb -0.16 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3ixl s VAL 209 CO 0.07 0.42 -0.15 -0.55 0.00 0.00 0.00 175.10 174.88 3ixl s SER 210 N 1.23 3.92 0.12 3.32 0.15 -1.26 -0.63 113.70 120.55 3ixl s SER 210 Ca 0.03 -0.25 -0.34 0.00 0.70 0.00 0.00 55.95 56.09 3ixl s SER 210 Cb -0.15 -0.96 -0.13 0.00 -1.71 0.00 0.00 66.02 63.08 3ixl s SER 210 CO 0.01 0.31 1.55 0.28 1.20 0.00 0.00 173.24 176.58 3ixl h SER 211 N 5.65 -1.75 0.36 5.45 0.02 -1.49 0.55 113.55 122.34 3ixl h SER 211 Ca -0.42 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3ixl h SER 211 Cb 1.16 0.69 0.00 0.00 0.14 0.00 0.00 62.40 64.40 3ixl h SER 211 CO 0.51 -0.47 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.27 3ixl h SER 212 N -0.56 -0.41 -0.88 3.07 0.87 -1.84 0.00 113.55 113.81 3ixl h SER 212 Ca 0.04 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3ixl h SER 212 Cb 0.67 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.68 3ixl h SER 212 CO -0.46 -0.12 0.55 -0.65 -0.53 0.00 0.00 176.83 175.62 3ixl h PRO 213 N -0.69 1.00 -0.71 2.24 0.11 -1.94 -1.40 132.00 130.61 3ixl h PRO 213 Ca -0.05 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 3ixl h PRO 213 Cb 0.49 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3ixl h PRO 213 CO 0.08 0.66 0.35 0.00 -0.21 0.00 0.00 178.00 178.88 3ixl h ALA 214 N 1.39 1.27 -0.62 -0.75 0.00 -0.77 -0.56 119.26 119.24 3ixl h ALA 214 Ca 0.37 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3ixl h ALA 214 Cb 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3ixl h ALA 214 CO -0.15 0.57 0.36 0.78 0.00 0.00 0.00 179.25 180.80 3ixl h GLY 215 N 1.06 0.89 0.86 0.00 0.00 0.06 0.72 103.07 106.67 3ixl h GLY 215 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3ixl h GLY 215 CO -0.03 0.19 0.06 0.74 0.00 0.00 0.00 176.54 177.50 3ixl h PHE 216 N 0.69 0.30 -0.65 5.60 -1.00 -0.81 -1.08 116.94 119.98 3ixl h PHE 216 Ca 0.26 -0.03 0.07 0.00 2.81 0.00 0.00 57.97 61.08 3ixl h PHE 216 Cb 0.09 -0.09 -0.06 0.00 3.61 0.00 0.00 35.95 39.51 3ixl h PHE 216 CO -0.07 0.39 0.34 2.35 -1.61 0.00 0.00 178.31 179.71 3ixl h TRP 217 N 0.12 0.63 -0.21 -0.55 7.01 -0.74 -0.72 115.95 121.49 3ixl h TRP 217 Ca 0.06 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.90 3ixl h TRP 217 Cb 0.23 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 3ixl h TRP 217 CO 0.00 0.28 -0.61 0.22 -2.79 0.00 0.00 178.44 175.54 3ixl h ASP 218 N 0.63 0.81 -0.58 2.65 1.82 -0.78 -0.03 116.42 120.93 3ixl h ASP 218 Ca 0.30 -0.46 -0.08 0.00 -0.39 0.00 0.00 57.03 56.40 3ixl h ASP 218 Cb 0.22 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 3ixl h ASP 218 CO -0.20 1.23 0.06 0.00 -1.61 0.00 0.00 179.24 178.72 3ixl h ALA 219 N 0.77 0.78 -0.45 -0.78 0.00 -0.88 -1.28 119.26 117.42 3ixl h ALA 219 Ca -0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3ixl h ALA 219 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3ixl h ALA 219 CO 0.12 0.57 -0.15 0.28 0.00 0.00 0.00 179.25 180.07 3ixl h VAL 220 N 0.89 1.27 -0.27 0.00 2.07 -1.02 -1.47 116.25 117.72 3ixl h VAL 220 Ca 0.17 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3ixl h VAL 220 Cb 0.47 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3ixl h VAL 220 CO 0.02 0.43 -0.12 -0.09 0.02 0.00 0.00 177.57 177.83 3ixl h ARG 221 N 0.76 -0.08 0.00 1.57 2.43 -0.79 -2.59 114.38 115.68 3ixl h ARG 221 Ca 0.12 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3ixl h ARG 221 Cb 0.66 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3ixl h ARG 221 CO 0.05 -0.05 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.15 3ixl h LEU 222 N -0.08 0.00 -1.12 3.80 3.38 -0.81 -1.74 115.31 118.74 3ixl h LEU 222 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ixl h LEU 222 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ixl h LEU 222 CO -0.33 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.44 3ixl h ALA 223 N 1.77 1.00 -1.01 1.53 0.00 -0.87 -3.47 119.26 118.21 3ixl h ALA 223 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3ixl h ALA 223 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 3ixl h ALA 223 CO 0.03 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 179.40 3ixl n GLY 224 N -0.28 1.03 0.00 0.00 0.00 -0.66 -4.87 105.19 100.42 3ixl n GLY 224 Ca 0.01 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.78 3ixl n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixl n GLY 225 N -1.20 -1.00 2.27 -0.02 0.00 -1.26 -4.98 105.19 98.99 3ixl n GLY 225 Ca -0.15 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 3ixl n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixl n GLY 226 N 1.48 0.48 3.77 -0.02 0.00 -1.26 -4.98 105.19 104.66 3ixl n GLY 226 Ca 0.03 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3ixl n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixl s ALA 227 N -2.51 3.42 0.03 4.61 0.00 -1.26 -5.01 121.76 121.03 3ixl s ALA 227 Ca 0.00 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.46 3ixl s ALA 227 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 3ixl s ALA 227 CO 0.00 -1.02 -0.09 0.15 0.00 0.00 0.00 175.76 174.80 3ixl s LYS 228 N -2.19 2.41 0.64 0.00 -0.14 -1.26 -4.93 119.74 114.27 3ixl s LYS 228 Ca 0.55 -0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 54.23 3ixl s LYS 228 Cb -0.44 -2.42 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 3ixl s LYS 228 CO 0.58 0.57 1.04 0.00 -0.76 0.00 0.00 175.35 176.78 3ixl s ALA 229 N -1.04 2.91 0.63 5.17 0.00 -1.26 -4.92 121.76 123.25 3ixl s ALA 229 Ca 0.18 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 3ixl s ALA 229 Cb -0.11 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3ixl s ALA 229 CO 0.09 -0.88 1.20 0.54 0.00 0.00 0.00 175.76 176.71 3ixl n ARG 230 N -2.78 1.10 -1.80 0.00 5.12 -0.42 -4.96 116.66 112.91 3ixl n ARG 230 Ca 0.07 0.43 -0.31 0.00 -1.93 0.00 0.00 57.85 56.10 3ixl n ARG 230 Cb 0.54 -2.43 0.03 0.00 -1.16 0.00 0.00 32.46 29.43 3ixl n ARG 230 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ixl s PRO 231 N -3.15 3.28 0.00 5.56 0.04 -1.26 -4.43 135.00 135.03 3ixl s PRO 231 Ca 0.80 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3ixl s PRO 231 Cb -0.39 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3ixl s PRO 231 CO 0.43 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 177.05 3ixl n GLY 232 N -2.03 0.93 0.88 0.56 0.00 -1.26 -4.97 105.19 99.29 3ixl n GLY 232 Ca 0.07 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3ixl n GLY 232 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ixl n TYR 233 N -2.14 0.81 0.00 1.61 4.02 -1.26 -4.58 117.16 115.62 3ixl n TYR 233 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 3ixl n TYR 233 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 3ixl n TYR 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ixl n GLY 234 N 0.17 3.10 0.35 2.72 0.00 -1.26 -4.72 105.19 105.55 3ixl n GLY 234 Ca 0.18 -2.01 0.15 0.00 0.00 0.00 0.00 46.02 44.34 3ixl n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ixl h ARG 235 N 0.00 0.14 -0.66 1.61 3.08 -1.95 -1.48 114.38 115.12 3ixl h ARG 235 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.15 3ixl h ARG 235 Cb 0.00 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.94 3ixl h ARG 235 CO 0.00 0.09 0.26 1.25 -1.07 0.00 0.00 179.97 180.51 3ixl h LEU 236 N 0.15 0.27 0.13 3.04 5.85 -1.88 -1.33 115.31 121.55 3ixl h LEU 236 Ca 0.21 0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.79 3ixl h LEU 236 Cb 0.66 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.75 3ixl h LEU 236 CO -0.03 0.15 -1.11 -0.26 -0.34 0.00 0.00 178.44 176.85 3ixl h PHE 237 N 0.45 0.49 0.00 1.25 -1.00 -1.67 -3.38 116.94 113.09 3ixl h PHE 237 Ca 0.34 -0.36 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3ixl h PHE 237 Cb 0.43 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3ixl h PHE 237 CO -0.16 1.43 0.00 -0.44 -1.61 0.00 0.00 178.31 177.53 3ixl h ASP 238 N -0.34 0.00 -0.67 2.17 3.32 -1.16 -3.32 116.42 116.42 3ixl h ASP 238 Ca -0.22 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.40 3ixl h ASP 238 Cb 1.70 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 41.12 3ixl h ASP 238 CO 0.10 0.00 0.45 -0.62 -1.72 0.00 0.00 179.24 177.46 3ixl n GLU 239 N -2.45 2.51 0.00 3.56 1.02 -0.51 -5.05 120.64 119.72 3ixl n GLU 239 Ca 0.05 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 3ixl n GLU 239 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 3ixl n GLU 239 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76