#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3i h PRO 8 N 0.00 1.02 0.25 -0.67 0.11 -1.99 -2.60 132.00 128.13 1n3i h PRO 8 Ca 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1n3i h PRO 8 Cb 0.00 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1n3i h PRO 8 CO 0.00 0.68 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.89 1n3i h ASP 9 N 1.06 -0.35 -0.44 -2.05 5.19 -1.99 -0.86 116.42 116.97 1n3i h ASP 9 Ca 0.32 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.66 1n3i h ASP 9 Cb -0.02 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1n3i h ASP 9 CO -0.09 -0.23 -0.05 -0.08 -3.12 0.00 0.00 179.24 175.66 1n3i h GLU 10 N -0.37 0.88 -0.73 3.56 4.57 -1.98 -1.56 114.58 118.94 1n3i h GLU 10 Ca -0.03 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1n3i h GLU 10 Cb 0.30 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1n3i h GLU 10 CO 0.04 0.91 0.39 1.25 -1.18 0.00 0.00 179.01 180.41 1n3i h LEU 11 N 0.80 0.92 -0.63 1.64 5.85 -1.34 -0.74 115.31 121.81 1n3i h LEU 11 Ca 0.14 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1n3i h LEU 11 Cb 0.55 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1n3i h LEU 11 CO 0.03 0.76 -0.09 0.00 -0.34 0.00 0.00 178.44 178.81 1n3i h ALA 12 N 1.20 0.84 -0.29 1.25 0.00 -0.88 -1.77 119.26 119.60 1n3i h ALA 12 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1n3i h ALA 12 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n3i h ALA 12 CO -0.04 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.95 1n3i h ARG 13 N 0.88 0.47 -0.65 0.00 3.08 -0.88 0.57 114.38 117.86 1n3i h ARG 13 Ca 0.14 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1n3i h ARG 13 Cb 0.63 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1n3i h ARG 13 CO 0.04 0.54 0.42 0.00 -1.07 0.00 0.00 179.97 179.90 1n3i h ARG 14 N 0.31 0.82 -0.43 0.04 3.08 -1.05 0.11 114.38 117.26 1n3i h ARG 14 Ca 0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1n3i h ARG 14 Cb 0.28 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1n3i h ARG 14 CO 0.00 0.54 0.15 0.00 -1.07 0.00 0.00 179.97 179.60 1n3i h ALA 15 N 1.25 0.56 -0.63 0.04 0.00 -1.10 -2.28 119.26 117.10 1n3i h ALA 15 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n3i h ALA 15 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1n3i h ALA 15 CO -0.07 0.18 0.33 0.00 0.00 0.00 0.00 179.25 179.69 1n3i h ALA 16 N 1.00 1.39 -0.55 0.00 0.00 -0.33 -1.02 119.26 119.75 1n3i h ALA 16 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1n3i h ALA 16 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1n3i h ALA 16 CO -0.01 0.49 0.10 0.37 0.00 0.00 0.00 179.25 180.21 1n3i h GLN 17 N 0.88 0.91 -0.70 0.00 5.75 -0.47 -0.97 115.11 120.51 1n3i h GLN 17 Ca 0.22 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1n3i h GLN 17 Cb 0.05 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1n3i h GLN 17 CO -0.03 0.87 0.14 0.28 -2.65 0.00 0.00 178.83 177.44 1n3i h VAL 18 N 0.80 1.26 -0.73 2.39 2.07 -0.91 -0.55 116.25 120.59 1n3i h VAL 18 Ca 0.17 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1n3i h VAL 18 Cb 0.39 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1n3i h VAL 18 CO 0.01 0.38 0.45 0.40 0.02 0.00 0.00 177.57 178.83 1n3i h ILE 19 N 1.06 1.21 -0.56 4.57 2.04 -0.87 -0.28 117.51 124.68 1n3i h ILE 19 Ca 0.21 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1n3i h ILE 19 Cb 0.41 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1n3i h ILE 19 CO 0.01 0.21 -0.06 0.00 0.00 0.00 0.00 178.15 178.31 1n3i h ALA 20 N 1.24 0.77 -0.27 1.87 0.00 -0.81 -1.78 119.26 120.28 1n3i h ALA 20 Ca 0.26 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1n3i h ALA 20 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1n3i h ALA 20 CO -0.05 0.65 -0.34 -0.44 0.00 0.00 0.00 179.25 179.07 1n3i h ASP 21 N 0.92 0.61 0.83 0.00 3.32 -0.64 -1.35 116.42 120.10 1n3i h ASP 21 Ca 0.15 -0.25 -0.22 0.00 0.02 0.00 0.00 57.03 56.73 1n3i h ASP 21 Cb 0.62 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1n3i h ASP 21 CO 0.04 0.90 -1.26 0.03 -1.72 0.00 0.00 179.24 177.23 1n3i h ARG 22 N 0.49 0.00 0.00 3.56 2.47 -1.03 -3.34 114.38 116.53 1n3i h ARG 22 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1n3i h ARG 22 Cb 0.83 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1n3i h ARG 22 CO 0.07 0.68 -1.13 0.25 0.56 0.00 0.00 179.97 180.40 1n3i n THR 23 N -3.17 0.59 -0.98 2.04 -2.24 -0.68 -4.94 114.28 104.91 1n3i n THR 23 Ca -0.07 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1n3i n THR 23 Cb 0.95 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1n3i n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n3i n GLY 24 N 1.20 0.65 3.34 3.38 0.00 -0.51 -4.94 105.19 108.31 1n3i n GLY 24 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1n3i n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n3i s ILE 25 N -2.71 3.76 0.39 -0.61 1.01 -1.21 -4.99 121.20 116.84 1n3i s ILE 25 Ca 0.00 -0.56 0.27 0.00 0.00 0.00 0.00 60.65 60.36 1n3i s ILE 25 Cb 0.00 -2.84 0.29 0.00 0.01 0.00 0.00 42.46 39.93 1n3i s ILE 25 CO 0.00 0.24 2.06 1.23 0.00 0.00 0.00 174.94 178.47 1n3i h GLY 26 N 8.18 0.00 -5.29 6.18 0.00 -1.94 -3.39 103.07 106.81 1n3i h GLY 26 Ca -0.36 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1n3i h GLY 26 CO 0.60 0.00 -0.16 1.85 0.00 0.00 0.00 176.54 178.82 1n3i s GLU 27 N -4.15 0.54 0.19 4.80 2.12 -1.26 -4.90 118.70 116.04 1n3i s GLU 27 Ca -0.03 0.78 0.06 0.00 0.36 0.00 0.00 54.97 56.15 1n3i s GLU 27 Cb 0.13 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1n3i s GLU 27 CO 0.59 -0.10 0.10 -1.01 -0.54 0.00 0.00 175.26 174.29 1n3i s HIS 28 N 0.76 3.02 -0.14 5.30 3.76 -0.09 -4.88 115.29 123.02 1n3i s HIS 28 Ca -0.04 -0.08 0.14 0.00 -0.15 0.00 0.00 55.06 54.93 1n3i s HIS 28 Cb -0.05 -1.43 -0.20 0.00 1.11 0.00 0.00 32.58 32.01 1n3i s HIS 28 CO -0.06 0.53 0.09 -0.25 -0.85 0.00 0.00 174.74 174.20 1n3i n ASP 29 N -0.48 1.15 -4.02 1.40 8.00 -0.13 -2.15 116.55 120.32 1n3i n ASP 29 Ca -0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 1n3i n ASP 29 Cb 0.56 0.98 -0.11 0.00 -0.02 0.00 0.00 41.12 42.53 1n3i n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n3i s VAL 30 N -2.46 0.18 0.00 2.53 1.01 -1.20 -2.69 120.40 117.78 1n3i s VAL 30 Ca -0.08 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.80 1n3i s VAL 30 Cb 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1n3i s VAL 30 CO 0.65 -0.61 -0.11 0.00 0.00 0.00 0.00 175.10 175.03 1n3i s ALA 31 N -2.03 0.95 -0.06 5.51 0.00 -0.72 -0.68 121.76 124.72 1n3i s ALA 31 Ca -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1n3i s ALA 31 Cb -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1n3i s ALA 31 CO -0.03 0.21 -0.09 0.08 0.00 0.00 0.00 175.76 175.94 1n3i s VAL 32 N -0.41 0.88 -0.24 0.00 1.01 0.34 -0.34 120.40 121.63 1n3i s VAL 32 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1n3i s VAL 32 Cb -0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1n3i s VAL 32 CO -0.00 0.30 0.04 -0.69 0.00 0.00 0.00 175.10 174.75 1n3i s VAL 33 N 0.89 4.04 -0.20 2.92 1.01 -0.05 0.38 120.40 129.39 1n3i s VAL 33 Ca -0.11 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1n3i s VAL 33 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1n3i s VAL 33 CO 0.01 0.37 0.52 -0.76 0.00 0.00 0.00 175.10 175.24 1n3i s LEU 34 N 1.53 4.15 0.00 3.92 1.43 0.07 -1.65 118.68 128.13 1n3i s LEU 34 Ca 0.06 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1n3i s LEU 34 Cb -0.15 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1n3i s LEU 34 CO 0.02 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1n3i n GLY 35 N 3.87 1.50 3.72 -3.19 0.00 -1.20 -2.03 105.19 107.86 1n3i n GLY 35 Ca -0.05 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1n3i n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n3i n SER 36 N -0.42 3.98 0.00 1.61 7.64 -1.26 -1.58 113.62 123.59 1n3i n SER 36 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1n3i n SER 36 Cb 0.00 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.62 1n3i n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n3i n GLY 37 N 3.80 2.87 0.18 0.23 0.00 -1.26 -3.79 105.19 107.23 1n3i n GLY 37 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1n3i n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n3i n TRP 38 N -2.00 0.00 -0.17 1.61 7.02 -0.61 -3.89 117.44 119.40 1n3i n TRP 38 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1n3i n TRP 38 Cb 0.00 -0.16 0.04 0.00 -2.42 0.00 0.00 31.31 28.77 1n3i n TRP 38 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1n3i h LEU 39 N 0.90 -0.54 0.00 -0.99 6.46 -1.75 -1.21 115.31 118.18 1n3i h LEU 39 Ca 0.00 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1n3i h LEU 39 Cb 0.45 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1n3i h LEU 39 CO 0.00 -0.19 0.00 -0.81 -0.62 0.00 0.00 178.44 176.82 1n3i n PRO 40 N -5.38 0.07 0.00 5.25 -0.04 -1.26 -2.50 135.00 131.13 1n3i n PRO 40 Ca 0.05 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 1n3i n PRO 40 Cb 0.29 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.79 1n3i n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n3i n ALA 41 N -1.39 2.70 -0.38 0.55 0.00 -0.46 -4.17 120.51 117.37 1n3i n ALA 41 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1n3i n ALA 41 Cb 0.09 -1.37 0.13 0.00 0.00 0.00 0.00 19.45 18.30 1n3i n ALA 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1n3i h VAL 42 N 0.08 1.22 -0.76 0.00 3.04 -1.61 -3.12 116.25 115.10 1n3i h VAL 42 Ca 0.00 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1n3i h VAL 42 Cb 0.46 -0.22 -0.04 0.00 -2.01 0.00 0.00 31.29 29.48 1n3i h VAL 42 CO 0.00 0.24 0.45 0.00 -1.01 0.00 0.00 177.57 177.26 1n3i h ALA 43 N 1.39 0.97 0.00 3.17 0.00 -1.84 -2.62 119.26 120.33 1n3i h ALA 43 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1n3i h ALA 43 Cb -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1n3i h ALA 43 CO -0.10 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1n3i h ALA 44 N 1.24 1.00 0.00 0.00 0.00 -1.82 -2.44 119.26 117.23 1n3i h ALA 44 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1n3i h ALA 44 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n3i h ALA 44 CO -0.05 0.00 -0.18 -0.07 0.00 0.00 0.00 179.25 178.95 1n3i h LEU 45 N 0.00 0.00 0.00 0.00 3.38 -1.57 -3.44 115.31 113.68 1n3i h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3i h LEU 45 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n3i h LEU 45 CO 0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1n3i n GLY 46 N -0.68 1.55 3.63 0.83 0.00 -0.92 -4.76 105.19 104.85 1n3i n GLY 46 Ca -0.02 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1n3i n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n3i s SER 47 N 0.00 6.79 0.36 1.61 1.04 -1.26 -4.84 113.70 117.40 1n3i s SER 47 Ca 0.00 0.91 -0.27 0.00 0.48 0.00 0.00 55.95 57.07 1n3i s SER 47 Cb 0.00 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 1n3i s SER 47 CO 0.00 -0.61 1.19 -2.84 0.98 0.00 0.00 173.24 171.95 1n3i s PRO 48 N 3.02 4.25 0.04 4.02 0.02 -1.26 -4.41 135.00 140.68 1n3i s PRO 48 Ca 0.36 1.92 0.23 0.00 0.02 0.00 0.00 61.00 63.52 1n3i s PRO 48 Cb -0.14 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.48 1n3i s PRO 48 CO 0.10 -0.18 0.95 0.25 -0.33 0.00 0.00 177.00 177.80 1n3i n THR 49 N 0.47 0.16 -3.71 0.99 -2.24 -0.25 -4.90 114.28 104.80 1n3i n THR 49 Ca 0.02 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1n3i n THR 49 Cb 0.45 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1n3i n THR 49 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n3i s THR 50 N -3.23 -0.00 -0.03 4.28 2.01 -1.23 -5.00 115.64 112.43 1n3i s THR 50 Ca 0.02 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1n3i s THR 50 Cb 0.14 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 72.01 1n3i s THR 50 CO 0.82 0.00 0.04 -0.69 -0.69 0.00 0.00 174.62 174.10 1n3i s VAL 51 N 0.41 -0.03 0.11 3.82 1.01 -1.26 -1.32 120.40 123.13 1n3i s VAL 51 Ca -0.01 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1n3i s VAL 51 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1n3i s VAL 51 CO -0.01 0.15 0.17 -1.48 0.00 0.00 0.00 175.10 173.92 1n3i s LEU 52 N 1.67 1.50 0.07 3.92 0.05 -0.05 -4.98 118.68 120.85 1n3i s LEU 52 Ca -0.01 -0.81 -0.31 0.00 0.05 0.00 0.00 54.13 53.05 1n3i s LEU 52 Cb -0.13 0.88 -0.06 0.00 -2.05 0.00 0.00 46.19 44.83 1n3i s LEU 52 CO -0.03 -0.75 1.29 -2.84 -0.55 0.00 0.00 176.35 173.47 1n3i s PRO 53 N -3.92 4.37 0.32 1.48 0.02 -1.26 -0.22 135.00 135.80 1n3i s PRO 53 Ca 0.10 1.89 0.04 0.00 0.02 0.00 0.00 61.00 63.06 1n3i s PRO 53 Cb 0.05 -3.35 0.66 0.00 0.02 0.00 0.00 34.50 31.88 1n3i s PRO 53 CO -0.07 -0.37 1.87 1.96 -0.33 0.00 0.00 177.00 180.07 1n3i h GLN 54 N 6.96 0.85 -0.15 5.54 4.20 -1.42 -0.77 115.11 130.31 1n3i h GLN 54 Ca -0.41 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.29 1n3i h GLN 54 Cb 1.21 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1n3i h GLN 54 CO 0.84 0.56 0.30 0.00 -0.67 0.00 0.00 178.83 179.86 1n3i h ALA 55 N 1.56 1.63 -0.11 3.87 0.00 -1.80 -0.80 119.26 123.61 1n3i h ALA 55 Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1n3i h ALA 55 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1n3i h ALA 55 CO -0.21 -0.38 -0.39 1.49 0.00 0.00 0.00 179.25 179.76 1n3i h GLU 56 N 0.00 0.23 -6.68 0.00 4.81 -1.47 -3.45 114.58 108.03 1n3i h GLU 56 Ca 0.07 -0.10 -0.51 0.00 -0.13 0.00 0.00 59.36 58.69 1n3i h GLU 56 Cb 0.67 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1n3i h GLU 56 CO -0.00 0.59 0.43 -0.51 -0.73 0.00 0.00 179.01 178.80 1n3i s LEU 57 N -8.27 4.53 0.24 1.64 1.43 -0.31 -4.99 118.68 112.94 1n3i s LEU 57 Ca -0.04 2.04 -0.31 0.00 -1.03 0.00 0.00 54.13 54.78 1n3i s LEU 57 Cb 0.14 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 1n3i s LEU 57 CO 0.77 -0.12 1.49 -2.65 0.23 0.00 0.00 176.35 176.07 1n3i n PRO 58 N 2.14 2.23 -0.16 1.29 -0.02 -1.26 -1.89 135.00 137.34 1n3i n PRO 58 Ca 0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1n3i n PRO 58 Cb 0.47 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1n3i n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n3i n GLY 59 N 2.47 2.36 3.56 -1.23 0.00 -1.26 -4.50 105.19 106.58 1n3i n GLY 59 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1n3i n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n3i s PHE 60 N -3.05 2.99 -0.11 1.61 0.40 -0.79 -4.91 117.98 114.12 1n3i s PHE 60 Ca 0.00 0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.37 1n3i s PHE 60 Cb 0.00 -3.74 -0.01 0.00 0.51 0.00 0.00 43.02 39.78 1n3i s PHE 60 CO 0.00 -0.98 1.01 0.08 0.70 0.00 0.00 175.22 176.03 1n3i s VAL 61 N 3.45 4.77 0.26 -0.44 1.01 -1.26 -4.57 120.40 123.62 1n3i s VAL 61 Ca 0.33 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 64.05 1n3i s VAL 61 Cb -0.11 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 1n3i s VAL 61 CO 0.23 0.00 1.50 -2.16 0.00 0.00 0.00 175.10 174.67 1n3i s PRO 62 N 2.04 4.21 0.62 2.72 0.04 -1.26 -4.81 135.00 138.57 1n3i s PRO 62 Ca 0.48 2.40 -0.19 0.00 0.04 0.00 0.00 61.00 63.74 1n3i s PRO 62 Cb -0.18 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1n3i s PRO 62 CO 0.18 -0.50 1.29 -2.14 0.04 0.00 0.00 177.00 175.87 1n3i s PRO 63 N -0.32 2.71 0.00 0.56 0.02 -1.26 -4.94 135.00 131.77 1n3i s PRO 63 Ca 0.61 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1n3i s PRO 63 Cb -0.44 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1n3i s PRO 63 CO 0.44 -1.48 0.00 0.25 -0.33 0.00 0.00 177.00 175.88 1n3i n THR 64 N -1.71 0.00 -2.06 0.99 -2.24 -1.26 -4.86 114.28 103.13 1n3i n THR 64 Ca 0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 1n3i n THR 64 Cb 0.48 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1n3i n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n3i s ALA 65 N -1.12 3.11 0.35 6.98 0.00 -1.26 -4.94 121.76 124.87 1n3i s ALA 65 Ca 0.00 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1n3i s ALA 65 Cb 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1n3i s ALA 65 CO 0.00 -0.88 1.48 0.00 0.00 0.00 0.00 175.76 176.36 1n3i s ALA 66 N -1.34 3.59 0.00 0.00 0.00 -1.26 -2.41 121.76 120.34 1n3i s ALA 66 Ca 0.61 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1n3i s ALA 66 Cb -0.36 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1n3i s ALA 66 CO 0.45 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1n3i n GLY 67 N 0.84 0.72 3.07 0.00 0.00 -1.26 -4.90 105.19 103.65 1n3i n GLY 67 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1n3i n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n3i s HIS 68 N -2.46 3.41 0.42 1.61 4.02 -1.01 -4.33 115.29 116.95 1n3i s HIS 68 Ca 0.00 -2.47 0.10 0.00 1.02 0.00 0.00 55.06 53.70 1n3i s HIS 68 Cb 0.00 -2.25 0.92 0.00 -1.02 0.00 0.00 32.58 30.23 1n3i s HIS 68 CO 0.00 -0.89 2.02 0.00 1.02 0.00 0.00 174.74 176.89 1n3i h ALA 69 N 7.75 1.69 -2.07 -1.40 0.00 -1.87 -3.45 119.26 119.92 1n3i h ALA 69 Ca -0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1n3i h ALA 69 Cb 1.04 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.75 1n3i h ALA 69 CO 0.49 0.24 -0.22 0.41 0.00 0.00 0.00 179.25 180.17 1n3i n GLY 70 N -1.26 0.27 3.46 0.00 0.00 0.15 -4.98 105.19 102.83 1n3i n GLY 70 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1n3i n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n3i s GLU 71 N -5.03 1.65 -0.09 1.61 2.02 -0.84 -1.15 118.70 116.87 1n3i s GLU 71 Ca 0.13 -1.75 0.03 0.00 0.02 0.00 0.00 54.97 53.40 1n3i s GLU 71 Cb -0.06 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.44 1n3i s GLU 71 CO 0.16 0.32 -0.20 -1.17 0.02 0.00 0.00 175.26 174.39 1n3i s LEU 72 N -3.47 1.96 0.07 1.80 2.96 0.70 -1.01 118.68 121.68 1n3i s LEU 72 Ca 0.29 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1n3i s LEU 72 Cb -0.05 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1n3i s LEU 72 CO 0.14 0.11 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.33 1n3i s LEU 73 N 0.49 2.23 -0.23 -0.68 1.02 -0.24 -0.88 118.68 120.39 1n3i s LEU 73 Ca -0.16 -0.59 -0.05 0.00 0.02 0.00 0.00 54.13 53.35 1n3i s LEU 73 Cb -0.17 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.12 1n3i s LEU 73 CO 0.06 0.11 -0.01 -0.55 0.02 0.00 0.00 176.35 175.98 1n3i s SER 74 N -1.50 4.52 -0.03 2.29 0.15 -0.44 0.14 113.70 118.83 1n3i s SER 74 Ca 0.06 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1n3i s SER 74 Cb -0.09 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1n3i s SER 74 CO 0.03 -0.03 -0.05 -0.69 1.20 0.00 0.00 173.24 173.69 1n3i s VAL 75 N 1.51 0.53 -0.19 4.45 1.01 0.57 -1.09 120.40 127.19 1n3i s VAL 75 Ca 0.06 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1n3i s VAL 75 Cb -0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1n3i s VAL 75 CO -0.02 0.20 0.86 -2.16 0.00 0.00 0.00 175.10 173.99 1n3i s PRO 76 N 0.59 4.27 -0.16 2.72 0.04 -1.26 0.03 135.00 141.24 1n3i s PRO 76 Ca -0.08 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 1n3i s PRO 76 Cb -0.11 -3.60 0.04 0.00 0.04 0.00 0.00 34.50 30.87 1n3i s PRO 76 CO 0.00 -0.40 -0.07 0.42 0.04 0.00 0.00 177.00 176.99 1n3i s ILE 77 N 2.41 1.19 0.00 0.56 1.01 -0.27 -4.79 121.20 121.32 1n3i s ILE 77 Ca 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1n3i s ILE 77 Cb -0.16 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.01 1n3i s ILE 77 CO 0.11 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1n3i n GLY 78 N 4.86 2.78 0.97 6.18 0.00 -1.26 -1.15 105.19 117.56 1n3i n GLY 78 Ca -0.13 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1n3i n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3i n ALA 79 N 11.22 2.45 -2.93 4.61 0.00 -1.26 -4.96 120.51 129.64 1n3i n ALA 79 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 53.44 52.33 1n3i n ALA 79 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1n3i n ALA 79 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1n3i s HIS 80 N -1.52 3.41 -0.32 0.00 4.02 -0.30 -5.08 115.29 115.50 1n3i s HIS 80 Ca 0.37 0.05 -0.08 0.00 1.02 0.00 0.00 55.06 56.41 1n3i s HIS 80 Cb 0.21 -1.60 0.01 0.00 -1.02 0.00 0.00 32.58 30.18 1n3i s HIS 80 CO 0.29 0.49 0.12 1.03 1.02 0.00 0.00 174.74 177.69 1n3i s ARG 81 N -3.47 3.04 -0.15 1.40 1.81 -1.26 -1.11 118.95 119.20 1n3i s ARG 81 Ca 0.34 -0.91 -0.05 0.00 -1.72 0.00 0.00 55.73 53.40 1n3i s ARG 81 Cb -0.10 -3.48 -0.03 0.00 -0.45 0.00 0.00 34.95 30.88 1n3i s ARG 81 CO 0.28 -0.51 -0.00 0.08 -0.68 0.00 0.00 175.30 174.47 1n3i s VAL 82 N 1.52 4.23 -0.25 3.52 1.01 0.10 -0.95 120.40 129.58 1n3i s VAL 82 Ca 0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1n3i s VAL 82 Cb -0.18 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1n3i s VAL 82 CO 0.04 0.50 0.55 -0.76 0.00 0.00 0.00 175.10 175.43 1n3i s LEU 83 N 0.18 4.06 -0.31 3.92 1.43 0.14 -0.32 118.68 127.78 1n3i s LEU 83 Ca 0.01 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1n3i s LEU 83 Cb -0.13 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1n3i s LEU 83 CO 0.02 -0.30 0.10 -0.69 0.23 0.00 0.00 176.35 175.70 1n3i s VAL 84 N 2.30 3.93 -0.71 -1.59 1.01 0.12 -0.51 120.40 124.96 1n3i s VAL 84 Ca 0.23 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1n3i s VAL 84 Cb -0.16 -3.11 0.12 0.00 0.00 0.00 0.00 36.38 33.24 1n3i s VAL 84 CO 0.09 -0.03 0.83 -0.76 0.00 0.00 0.00 175.10 175.22 1n3i s LEU 85 N 1.47 5.45 -0.84 3.92 1.43 0.16 -1.08 118.68 129.19 1n3i s LEU 85 Ca 0.01 -1.72 -0.23 0.00 -1.03 0.00 0.00 54.13 51.16 1n3i s LEU 85 Cb -0.18 -2.32 0.06 0.00 0.03 0.00 0.00 46.19 43.78 1n3i s LEU 85 CO 0.03 -1.05 1.23 0.00 0.23 0.00 0.00 176.35 176.79 1n3i s ALA 86 N 2.42 2.92 0.00 4.21 0.00 -0.18 -0.75 121.76 130.38 1n3i s ALA 86 Ca 0.18 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1n3i s ALA 86 Cb -0.17 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.73 1n3i s ALA 86 CO 0.01 -3.22 0.00 0.41 0.00 0.00 0.00 175.76 172.96 1n3i n GLY 87 N 5.83 2.58 3.35 0.00 0.00 -0.86 0.30 105.19 116.39 1n3i n GLY 87 Ca 0.14 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 1n3i n GLY 87 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n3i s ARG 88 N -3.74 1.24 0.30 1.61 1.70 -1.26 -4.75 118.95 114.05 1n3i s ARG 88 Ca 0.00 -1.31 0.07 0.00 -0.47 0.00 0.00 55.73 54.02 1n3i s ARG 88 Cb 0.00 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1n3i s ARG 88 CO 0.00 -0.45 0.31 0.96 -1.08 0.00 0.00 175.30 175.04 1n3i s ILE 89 N -4.03 4.12 0.15 4.99 -4.36 -1.26 -4.60 121.20 116.21 1n3i s ILE 89 Ca 0.23 -1.25 0.06 0.00 -0.26 0.00 0.00 60.65 59.43 1n3i s ILE 89 Cb 0.03 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 1n3i s ILE 89 CO 0.05 -0.24 -0.13 -1.00 0.24 0.00 0.00 174.94 173.85 1n3i s HIS 90 N -2.19 1.46 0.39 1.37 3.76 -1.26 -4.95 115.29 113.87 1n3i s HIS 90 Ca 0.39 -0.60 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 1n3i s HIS 90 Cb -0.08 -0.73 0.78 0.00 1.11 0.00 0.00 32.58 33.66 1n3i s HIS 90 CO 0.27 0.19 2.03 0.00 -0.85 0.00 0.00 174.74 176.38 1n3i h ALA 91 N 3.15 1.64 0.00 -1.40 0.00 -1.87 -1.45 119.26 119.32 1n3i h ALA 91 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n3i h ALA 91 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1n3i h ALA 91 CO 0.56 0.32 0.00 2.48 0.00 0.00 0.00 179.25 182.61 1n3i n TYR 92 N -4.45 0.25 1.71 0.00 0.18 -1.26 -0.93 117.16 112.66 1n3i n TYR 92 Ca 0.04 0.11 0.15 0.00 1.88 0.00 0.00 57.90 60.08 1n3i n TYR 92 Cb 0.07 -0.68 0.81 0.00 -0.38 0.00 0.00 39.34 39.16 1n3i n TYR 92 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1n3i n GLU 93 N -1.74 0.83 -0.30 -3.48 1.02 -0.55 -4.81 120.64 111.61 1n3i n GLU 93 Ca 0.01 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1n3i n GLU 93 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1n3i n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n3i n GLY 94 N 1.14 0.93 3.81 0.62 0.00 -0.11 -5.06 105.19 106.52 1n3i n GLY 94 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1n3i n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n3i s HIS 95 N -2.74 3.47 0.57 1.61 3.76 -1.26 -5.02 115.29 115.68 1n3i s HIS 95 Ca 0.00 1.60 -0.20 0.00 -0.15 0.00 0.00 55.06 56.31 1n3i s HIS 95 Cb 0.00 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1n3i s HIS 95 CO 0.00 0.05 1.21 -3.47 -0.85 0.00 0.00 174.74 171.68 1n3i n ASP 96 N -0.12 1.91 0.31 1.40 2.03 -1.26 -4.80 116.55 116.03 1n3i n ASP 96 Ca 0.04 0.90 0.21 0.00 0.52 0.00 0.00 54.79 56.47 1n3i n ASP 96 Cb 0.52 -1.50 1.12 0.00 -0.72 0.00 0.00 41.12 40.54 1n3i n ASP 96 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1n3i h LEU 97 N 0.98 0.00 -1.23 -2.67 3.38 -1.95 -0.84 115.31 112.98 1n3i h LEU 97 Ca -0.50 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.53 1n3i h LEU 97 Cb 1.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 1n3i h LEU 97 CO 0.54 0.00 0.55 -0.09 0.09 0.00 0.00 178.44 179.53 1n3i h ARG 98 N 0.00 0.92 0.06 1.13 2.43 -1.88 -1.13 114.38 115.91 1n3i h ARG 98 Ca 0.00 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.86 1n3i h ARG 98 Cb 0.03 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1n3i h ARG 98 CO 0.00 0.61 -1.20 1.88 -1.51 0.00 0.00 179.97 179.75 1n3i h TYR 99 N 0.95 0.24 -0.46 2.20 -1.99 -1.49 -2.66 116.97 113.75 1n3i h TYR 99 Ca 0.35 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 1n3i h TYR 99 Cb 0.18 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 1n3i h TYR 99 CO -0.00 1.15 -0.01 0.28 -0.00 0.00 0.00 178.16 179.58 1n3i h VAL 100 N 0.04 1.24 -0.02 -2.88 2.07 -1.28 -2.97 116.25 112.44 1n3i h VAL 100 Ca -0.10 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1n3i h VAL 100 Cb 1.89 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1n3i h VAL 100 CO 0.16 0.35 -0.12 1.33 0.02 0.00 0.00 177.57 179.31 1n3i n VAL 101 N -4.22 0.00 -0.21 2.57 0.24 -0.49 -4.47 118.33 111.75 1n3i n VAL 101 Ca 0.02 -0.38 -0.02 0.00 -2.04 0.00 0.00 64.34 61.92 1n3i n VAL 101 Cb 0.30 1.21 0.09 0.00 -1.47 0.00 0.00 33.84 33.97 1n3i n VAL 101 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1n3i h HIS 102 N 3.62 0.60 -0.58 6.34 6.17 -1.30 -1.97 115.15 128.03 1n3i h HIS 102 Ca 0.00 0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.20 1n3i h HIS 102 Cb 0.83 -0.18 -0.08 0.00 2.52 0.00 0.00 27.41 30.51 1n3i h HIS 102 CO 0.00 0.28 0.16 -1.35 0.71 0.00 0.00 177.93 177.73 1n3i h PRO 103 N 0.61 0.30 -0.64 5.26 0.11 -1.78 0.47 132.00 136.34 1n3i h PRO 103 Ca 0.28 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 1n3i h PRO 103 Cb 0.19 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 1n3i h PRO 103 CO -0.19 0.20 0.08 0.28 -0.21 0.00 0.00 178.00 178.16 1n3i h VAL 104 N 0.31 1.26 -0.27 3.15 2.07 -1.79 -0.43 116.25 120.56 1n3i h VAL 104 Ca 0.30 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 1n3i h VAL 104 Cb 0.40 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1n3i h VAL 104 CO -0.35 0.39 -0.36 0.03 0.02 0.00 0.00 177.57 177.30 1n3i h ARG 105 N 0.99 0.60 -0.47 1.57 3.08 -0.49 -0.76 114.38 118.90 1n3i h ARG 105 Ca 0.19 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1n3i h ARG 105 Cb 0.45 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1n3i h ARG 105 CO 0.02 0.87 -0.10 0.00 -1.07 0.00 0.00 179.97 179.69 1n3i h ALA 106 N 1.10 0.64 -0.72 0.04 0.00 0.12 -0.70 119.26 119.74 1n3i h ALA 106 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1n3i h ALA 106 Cb 0.86 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1n3i h ALA 106 CO 0.07 0.53 0.33 0.00 0.00 0.00 0.00 179.25 180.19 1n3i h ALA 107 N 0.88 0.93 -0.54 0.00 0.00 -0.84 -0.75 119.26 118.94 1n3i h ALA 107 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1n3i h ALA 107 Cb 0.65 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1n3i h ALA 107 CO 0.04 0.51 0.23 -0.09 0.00 0.00 0.00 179.25 179.94 1n3i h ARG 108 N 1.01 0.79 0.00 0.00 9.65 -0.90 -1.55 114.38 123.38 1n3i h ARG 108 Ca 0.24 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1n3i h ARG 108 Cb 0.14 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1n3i h ARG 108 CO -0.03 0.68 -0.09 0.00 2.80 0.00 0.00 179.97 183.33 1n3i h ALA 109 N 1.07 1.20 -0.01 2.80 0.00 -0.66 -0.46 119.26 123.20 1n3i h ALA 109 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n3i h ALA 109 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1n3i h ALA 109 CO -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 1n3i n ALA 110 N -2.22 2.65 0.00 0.00 0.00 -0.33 -4.90 120.51 115.70 1n3i n ALA 110 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1n3i n ALA 110 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1n3i n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n3i n GLY 111 N 1.11 0.94 3.66 0.00 0.00 -0.18 -0.91 105.19 109.81 1n3i n GLY 111 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1n3i n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3i s ALA 112 N -2.01 3.63 -2.05 4.61 0.00 -0.66 -4.50 121.76 120.77 1n3i s ALA 112 Ca 0.00 0.85 0.17 0.00 0.00 0.00 0.00 51.96 52.97 1n3i s ALA 112 Cb 0.00 -3.70 0.15 0.00 0.00 0.00 0.00 23.12 19.57 1n3i s ALA 112 CO 0.00 -1.29 1.05 1.04 0.00 0.00 0.00 175.76 176.56 1n3i n GLN 113 N 6.78 1.39 -4.14 0.00 6.02 -1.09 -4.22 117.38 122.11 1n3i n GLN 113 Ca 0.16 -1.54 -0.23 0.00 -0.01 0.00 0.00 57.00 55.39 1n3i n GLN 113 Cb 0.43 -1.32 -0.17 0.00 1.02 0.00 0.00 30.24 30.20 1n3i n GLN 113 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1n3i s ILE 114 N -1.37 0.72 -0.19 5.09 1.01 -1.25 -0.83 121.20 124.39 1n3i s ILE 114 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1n3i s ILE 114 Cb 0.14 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1n3i s ILE 114 CO 0.21 0.28 -0.08 -0.04 0.00 0.00 0.00 174.94 175.31 1n3i s MET 115 N 1.17 3.38 -0.43 2.79 -1.94 0.31 -1.76 119.30 122.82 1n3i s MET 115 Ca -0.06 -0.65 -0.11 0.00 -1.71 0.00 0.00 55.69 53.15 1n3i s MET 115 Cb -0.14 -2.86 0.07 0.00 2.01 0.00 0.00 34.83 33.91 1n3i s MET 115 CO -0.01 -0.04 0.29 0.08 -0.01 0.00 0.00 175.02 175.33 1n3i s VAL 116 N 1.04 4.61 -0.31 -6.03 1.01 0.54 -0.76 120.40 120.50 1n3i s VAL 116 Ca -0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 1n3i s VAL 116 Cb -0.15 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1n3i s VAL 116 CO -0.01 -0.48 0.19 -0.76 0.00 0.00 0.00 175.10 174.04 1n3i s LEU 117 N 1.52 4.18 0.17 3.92 1.43 0.24 -0.87 118.68 129.26 1n3i s LEU 117 Ca 0.03 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1n3i s LEU 117 Cb -0.23 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1n3i s LEU 117 CO 0.04 -0.15 0.02 0.42 0.23 0.00 0.00 176.35 176.92 1n3i s THR 118 N 1.70 3.87 0.30 5.49 -4.23 -0.66 -1.33 115.64 120.79 1n3i s THR 118 Ca 0.06 -1.34 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 1n3i s THR 118 Cb -0.17 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1n3i s THR 118 CO 0.09 -0.10 0.76 0.54 -0.54 0.00 0.00 174.62 175.37 1n3i s ASN 119 N -2.95 -0.18 0.09 3.99 6.03 -0.71 -3.23 114.94 117.99 1n3i s ASN 119 Ca 0.28 -0.75 0.02 0.00 -1.03 0.00 0.00 52.86 51.38 1n3i s ASN 119 Cb -0.10 0.75 -0.04 0.00 -3.03 0.00 0.00 41.25 38.83 1n3i s ASN 119 CO 0.19 -1.42 0.16 0.00 -2.03 0.00 0.00 177.10 174.01 1n3i s ALA 120 N -3.40 3.78 0.06 3.54 0.00 -1.25 -0.97 121.76 123.52 1n3i s ALA 120 Ca 0.13 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 1n3i s ALA 120 Cb -0.05 -1.61 0.04 0.00 0.00 0.00 0.00 23.12 21.49 1n3i s ALA 120 CO 0.08 0.72 0.41 0.00 0.00 0.00 0.00 175.76 176.96 1n3i s ALA 121 N -1.53 -0.98 0.10 0.00 0.00 -0.62 -4.75 121.76 113.99 1n3i s ALA 121 Ca 0.32 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1n3i s ALA 121 Cb -0.12 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 1n3i s ALA 121 CO 0.25 -0.48 0.65 0.20 0.00 0.00 0.00 175.76 176.38 1n3i s GLY 122 N -2.13 2.76 -0.08 0.00 0.00 -0.03 -1.80 107.32 106.04 1n3i s GLY 122 Ca -0.04 0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.63 1n3i s GLY 122 CO -0.04 0.63 0.57 -0.32 0.00 0.00 0.00 173.10 173.94 1n3i s GLY 123 N -1.06 2.50 -0.09 0.20 0.00 0.87 -1.61 107.32 108.13 1n3i s GLY 123 Ca 0.32 -0.05 0.09 0.00 0.00 0.00 0.00 44.72 45.08 1n3i s GLY 123 CO 0.22 0.89 0.06 1.04 0.00 0.00 0.00 173.10 175.31 1n3i n LEU 124 N 3.54 0.00 -4.70 0.66 4.32 0.30 0.11 117.00 121.23 1n3i n LEU 124 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.52 1n3i n LEU 124 Cb 0.51 0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 42.49 1n3i n LEU 124 CO 0.44 0.21 0.64 -0.60 -1.22 0.00 0.00 177.39 176.87 1n3i s ARG 125 N -2.31 4.45 0.58 3.23 3.52 -1.18 -4.94 118.95 122.30 1n3i s ARG 125 Ca -0.05 1.23 0.31 0.00 -0.13 0.00 0.00 55.73 57.10 1n3i s ARG 125 Cb 0.04 -3.50 1.35 0.00 -1.56 0.00 0.00 34.95 31.28 1n3i s ARG 125 CO 0.42 -0.15 1.69 0.00 -0.81 0.00 0.00 175.30 176.45 1n3i h ALA 126 N 6.96 2.70 -0.00 6.12 0.00 -1.95 0.49 119.26 133.58 1n3i h ALA 126 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1n3i h ALA 126 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1n3i h ALA 126 CO 0.79 -1.27 -0.16 -0.40 0.00 0.00 0.00 179.25 178.21 1n3i n ASP 127 N -3.69 0.48 -4.76 0.00 5.68 -1.26 -4.85 116.55 108.16 1n3i n ASP 127 Ca 0.18 -0.44 -0.39 0.00 -0.50 0.00 0.00 54.79 53.64 1n3i n ASP 127 Cb 1.11 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.98 1n3i n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1n3i s LEU 128 N -2.60 4.43 0.19 -2.12 1.43 0.16 -5.07 118.68 115.08 1n3i s LEU 128 Ca 0.24 1.26 0.10 0.00 -1.03 0.00 0.00 54.13 54.70 1n3i s LEU 128 Cb 0.19 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1n3i s LEU 128 CO 0.51 0.07 -0.16 -1.10 0.23 0.00 0.00 176.35 175.91 1n3i s GLN 129 N -0.13 1.83 0.25 1.70 -0.21 -1.26 -4.95 119.66 116.90 1n3i s GLN 129 Ca 0.34 -1.38 -0.31 0.00 0.02 0.00 0.00 55.36 54.03 1n3i s GLN 129 Cb -0.19 -2.03 -0.11 0.00 1.00 0.00 0.00 33.01 31.68 1n3i s GLN 129 CO 0.19 0.42 1.61 0.08 -2.12 0.00 0.00 175.29 175.47 1n3i s VAL 130 N -1.69 2.17 0.00 1.09 1.01 -1.26 -1.94 120.40 119.77 1n3i s VAL 130 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1n3i s VAL 130 Cb -0.08 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1n3i s VAL 130 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1n3i n GLY 131 N 2.78 0.80 3.71 4.51 0.00 0.26 -5.01 105.19 112.24 1n3i n GLY 131 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1n3i n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n3i s GLN 132 N -0.62 4.31 0.14 1.61 0.74 -0.82 -4.79 119.66 120.24 1n3i s GLN 132 Ca 0.00 0.44 -0.28 0.00 0.05 0.00 0.00 55.36 55.57 1n3i s GLN 132 Cb 0.00 -3.46 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 1n3i s GLN 132 CO 0.00 0.10 0.89 -1.25 -0.55 0.00 0.00 175.29 174.48 1n3i s PRO 133 N 0.80 4.68 -0.06 1.67 0.04 -1.26 -1.64 135.00 139.23 1n3i s PRO 133 Ca 0.26 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.66 1n3i s PRO 133 Cb -0.15 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1n3i s PRO 133 CO 0.10 0.37 -0.11 0.08 0.04 0.00 0.00 177.00 177.49 1n3i s VAL 134 N -0.54 1.04 0.23 -0.36 1.01 0.23 -4.43 120.40 117.57 1n3i s VAL 134 Ca 0.42 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1n3i s VAL 134 Cb -0.24 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 1n3i s VAL 134 CO 0.29 0.33 1.07 -0.76 0.00 0.00 0.00 175.10 176.03 1n3i s LEU 135 N 0.73 4.54 -0.35 3.92 1.43 -0.21 0.03 118.68 128.77 1n3i s LEU 135 Ca -0.14 2.13 -0.24 0.00 -1.03 0.00 0.00 54.13 54.85 1n3i s LEU 135 Cb -0.15 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.46 1n3i s LEU 135 CO 0.03 -0.12 0.83 -0.63 0.23 0.00 0.00 176.35 176.69 1n3i s ILE 136 N -0.78 4.70 -0.08 -0.59 1.01 0.37 -0.86 121.20 124.96 1n3i s ILE 136 Ca 0.46 1.05 0.14 0.00 0.00 0.00 0.00 60.65 62.29 1n3i s ILE 136 Cb -0.30 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 37.83 1n3i s ILE 136 CO 0.37 -0.43 1.07 0.77 0.00 0.00 0.00 174.94 176.71 1n3i h SER 137 N 8.40 0.00 -5.56 3.58 4.64 -1.56 -3.41 113.55 119.64 1n3i h SER 137 Ca -0.24 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.32 1n3i h SER 137 Cb 1.09 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.11 1n3i h SER 137 CO 0.93 0.70 0.69 -0.62 -0.87 0.00 0.00 176.83 177.65 1n3i s ASP 138 N -6.20 -0.04 0.11 4.97 -1.08 -1.25 -4.60 116.67 108.58 1n3i s ASP 138 Ca -0.00 -0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 51.58 1n3i s ASP 138 Cb 0.08 0.35 -0.04 0.00 -1.46 0.00 0.00 42.92 41.86 1n3i s ASP 138 CO 0.80 -0.69 0.07 -1.38 0.52 0.00 0.00 175.17 174.48 1n3i s HIS 139 N -2.38 0.71 -0.24 -5.34 -3.43 -1.26 -1.48 115.29 101.87 1n3i s HIS 139 Ca 0.20 -1.12 0.02 0.00 -0.80 0.00 0.00 55.06 53.36 1n3i s HIS 139 Cb -0.00 -0.40 0.05 0.00 -1.43 0.00 0.00 32.58 30.80 1n3i s HIS 139 CO 0.02 -0.51 -0.11 -0.51 -2.00 0.00 0.00 174.74 171.63 1n3i s LEU 140 N -3.00 3.00 -0.67 5.38 1.43 0.56 -4.90 118.68 120.47 1n3i s LEU 140 Ca 0.19 -1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 51.83 1n3i s LEU 140 Cb 0.07 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.92 1n3i s LEU 140 CO -0.02 -0.18 1.03 0.21 0.23 0.00 0.00 176.35 177.63 1n3i s ASN 141 N 1.21 6.18 -0.42 2.29 3.84 -1.26 -0.73 114.94 126.06 1n3i s ASN 141 Ca -0.06 -0.83 0.05 0.00 0.21 0.00 0.00 52.86 52.22 1n3i s ASN 141 Cb -0.19 -2.45 0.53 0.00 -0.55 0.00 0.00 41.25 38.59 1n3i s ASN 141 CO -0.06 -1.51 1.67 0.18 -2.79 0.00 0.00 177.10 174.58 1n3i n LEU 142 N 8.04 5.71 -0.00 3.21 4.77 -0.69 -4.47 117.00 133.57 1n3i n LEU 142 Ca -0.02 -4.01 0.10 0.00 -0.03 0.00 0.00 56.01 52.05 1n3i n LEU 142 Cb 0.46 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 1n3i n LEU 142 CO 0.66 1.39 -0.20 0.35 -1.33 0.00 0.00 177.39 178.26 1n3i n THR 143 N -1.02 0.00 -1.45 -5.08 -2.24 -1.25 -4.58 114.28 98.66 1n3i n THR 143 Ca 0.48 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 62.00 1n3i n THR 143 Cb 1.10 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 70.06 1n3i n THR 143 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n3i n ALA 144 N -1.64 -0.23 -2.42 6.98 0.00 -1.26 -4.95 120.51 116.98 1n3i n ALA 144 Ca 0.02 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 1n3i n ALA 144 Cb 0.37 -1.63 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 1n3i n ALA 144 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n3i s ARG 145 N -3.31 1.67 -0.10 0.00 0.52 -1.26 -5.17 118.95 111.31 1n3i s ARG 145 Ca 0.00 -1.96 -0.18 0.00 -0.52 0.00 0.00 55.73 53.07 1n3i s ARG 145 Cb 0.00 -0.51 0.04 0.00 0.52 0.00 0.00 34.95 35.00 1n3i s ARG 145 CO 0.00 -0.35 0.45 0.45 0.02 0.00 0.00 175.30 175.87 1n3i s SER 146 N -3.46 -0.42 0.00 0.23 0.15 -1.26 -5.03 113.70 103.91 1n3i s SER 146 Ca 0.33 0.61 0.28 0.00 0.70 0.00 0.00 55.95 57.88 1n3i s SER 146 Cb 0.06 0.67 1.15 0.00 -1.71 0.00 0.00 66.02 66.19 1n3i s SER 146 CO 0.15 -0.34 1.85 -0.81 1.20 0.00 0.00 173.24 175.29 1n3i n PRO 147 N 1.97 0.18 -3.37 5.44 -0.04 -1.26 -4.84 135.00 133.08 1n3i n PRO 147 Ca -0.17 -0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 62.92 1n3i n PRO 147 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1n3i n PRO 147 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n3i s LEU 148 N -2.85 4.22 -0.05 1.53 1.43 -1.26 -4.82 118.68 116.89 1n3i s LEU 148 Ca 0.18 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1n3i s LEU 148 Cb 0.19 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1n3i s LEU 148 CO 0.54 -0.02 0.04 0.68 0.23 0.00 0.00 176.35 177.82 1n3i s VAL 149 N -1.70 0.04 0.00 -1.59 -7.23 -1.26 -5.02 120.40 103.64 1n3i s VAL 149 Ca 0.45 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.92 1n3i s VAL 149 Cb -0.12 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.57 1n3i s VAL 149 CO 0.20 0.19 0.01 0.61 -0.31 0.00 0.00 175.10 175.80 1n3i n GLY 150 N 5.07 -4.34 3.37 2.32 0.00 -1.26 -4.45 105.19 105.91 1n3i n GLY 150 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1n3i n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n3i n GLY 151 N 1.90 1.37 3.46 -0.02 0.00 -1.26 -4.94 105.19 105.71 1n3i n GLY 151 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1n3i n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n3i s GLU 152 N -0.15 4.07 -1.12 1.61 2.02 -1.26 -4.93 118.70 118.94 1n3i s GLU 152 Ca 0.00 -2.56 -0.14 0.00 0.02 0.00 0.00 54.97 52.30 1n3i s GLU 152 Cb 0.00 -5.05 0.19 0.00 0.10 0.00 0.00 34.13 29.37 1n3i s GLU 152 CO 0.00 -1.76 1.28 -0.06 0.02 0.00 0.00 175.26 174.75 1n3i s PHE 153 N 1.57 3.60 -0.07 1.61 0.08 -1.26 -4.87 117.98 118.64 1n3i s PHE 153 Ca 0.42 -2.10 -0.21 0.00 0.12 0.00 0.00 56.93 55.16 1n3i s PHE 153 Cb -0.03 -4.19 -0.04 0.00 -0.57 0.00 0.00 43.02 38.18 1n3i s PHE 153 CO -0.01 -1.31 0.59 0.08 -0.10 0.00 0.00 175.22 174.48 1n3i s VAL 154 N 1.16 5.06 0.05 -0.44 1.01 -1.26 -5.05 120.40 120.93 1n3i s VAL 154 Ca 0.37 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 1n3i s VAL 154 Cb -0.05 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1n3i s VAL 154 CO -0.04 0.32 1.05 -0.62 0.00 0.00 0.00 175.10 175.81 1n3i s ASP 155 N 0.47 7.30 -0.24 3.32 2.15 -1.26 -4.95 116.67 123.46 1n3i s ASP 155 Ca 0.32 1.81 0.13 0.00 0.43 0.00 0.00 52.55 55.24 1n3i s ASP 155 Cb -0.17 -2.58 0.60 0.00 -0.30 0.00 0.00 42.92 40.47 1n3i s ASP 155 CO 0.15 -0.28 1.55 0.18 -0.17 0.00 0.00 175.17 176.60 1n3i n LEU 156 N 3.60 4.61 -4.74 -1.34 4.77 -1.26 -4.90 117.00 117.74 1n3i n LEU 156 Ca 0.06 -3.22 -0.41 0.00 -0.03 0.00 0.00 56.01 52.41 1n3i n LEU 156 Cb 0.49 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1n3i n LEU 156 CO 0.53 0.82 0.80 -0.89 -1.33 0.00 0.00 177.39 177.32 1n3i s THR 157 N -2.96 3.84 -1.45 -5.08 2.01 -1.26 -2.80 115.64 107.94 1n3i s THR 157 Ca 0.47 1.60 -0.09 0.00 0.31 0.00 0.00 61.69 63.98 1n3i s THR 157 Cb 0.38 -4.02 0.05 0.00 0.01 0.00 0.00 72.50 68.92 1n3i s THR 157 CO 0.09 0.28 0.73 0.47 -0.69 0.00 0.00 174.62 175.50 1n3i n ASP 158 N 2.30 -5.12 -0.24 3.53 8.00 -1.26 -4.84 116.55 118.92 1n3i n ASP 158 Ca 0.02 -0.47 0.12 0.00 0.71 0.00 0.00 54.79 55.17 1n3i n ASP 158 Cb 0.46 -4.13 0.39 0.00 -0.02 0.00 0.00 41.12 37.82 1n3i n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n3i h ALA 159 N 0.99 1.86 -2.87 2.24 0.00 -1.86 -3.13 119.26 116.47 1n3i h ALA 159 Ca -0.52 0.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.66 1n3i h ALA 159 Cb 1.35 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 1n3i h ALA 159 CO 0.58 -0.07 -0.18 0.71 0.00 0.00 0.00 179.25 180.30 1n3i s TYR 160 N -5.64 3.55 -0.37 0.00 1.51 -1.26 -4.08 117.35 111.07 1n3i s TYR 160 Ca -0.10 -2.19 -0.34 0.00 -1.01 0.00 0.00 57.07 53.43 1n3i s TYR 160 Cb 0.21 -3.54 -0.14 0.00 -0.11 0.00 0.00 41.96 38.38 1n3i s TYR 160 CO 0.78 -0.94 1.35 0.45 -1.11 0.00 0.00 175.55 176.08 1n3i n SER 161 N 4.04 0.74 -0.07 2.29 2.88 -1.01 -4.84 113.62 117.65 1n3i n SER 161 Ca 0.06 0.71 0.03 0.00 -1.33 0.00 0.00 58.87 58.34 1n3i n SER 161 Cb 0.42 -0.65 0.36 0.00 -0.75 0.00 0.00 64.21 63.59 1n3i n SER 161 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1n3i h PRO 162 N 4.94 0.69 -0.45 -1.46 0.11 -1.92 -2.19 132.00 131.72 1n3i h PRO 162 Ca -0.22 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.87 1n3i h PRO 162 Cb 1.02 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1n3i h PRO 162 CO 0.75 0.46 0.27 -0.09 -0.21 0.00 0.00 178.00 179.18 1n3i h ARG 163 N 0.71 0.53 -0.23 1.05 1.12 -1.99 -0.71 114.38 114.86 1n3i h ARG 163 Ca 0.19 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.91 1n3i h ARG 163 Cb -0.08 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.75 1n3i h ARG 163 CO -0.04 0.35 -0.35 -0.07 -3.11 0.00 0.00 179.97 176.76 1n3i h LEU 164 N 0.55 0.52 -1.00 3.80 3.38 -1.78 -1.96 115.31 118.82 1n3i h LEU 164 Ca 0.18 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1n3i h LEU 164 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1n3i h LEU 164 CO -0.07 0.83 -0.29 0.03 0.09 0.00 0.00 178.44 179.02 1n3i h ARG 165 N 0.42 0.37 -0.41 1.13 3.08 -0.93 -0.76 114.38 117.28 1n3i h ARG 165 Ca 0.05 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1n3i h ARG 165 Cb 0.81 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1n3i h ARG 165 CO 0.07 0.63 -0.34 1.49 -1.07 0.00 0.00 179.97 180.75 1n3i h GLU 166 N 0.32 0.95 -0.70 0.04 4.22 -0.82 -1.43 114.58 117.16 1n3i h GLU 166 Ca 0.05 -0.47 -0.06 0.00 0.08 0.00 0.00 59.36 58.96 1n3i h GLU 166 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1n3i h GLU 166 CO 0.05 1.13 0.20 -0.07 -2.18 0.00 0.00 179.01 178.14 1n3i h LEU 167 N 0.79 1.03 -0.64 1.64 3.38 -1.03 -0.78 115.31 119.69 1n3i h LEU 167 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1n3i h LEU 167 Cb 0.92 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1n3i h LEU 167 CO 0.09 0.97 0.34 0.00 0.09 0.00 0.00 178.44 179.93 1n3i h ALA 168 N 1.16 0.82 0.00 1.53 0.00 -0.90 -1.44 119.26 120.43 1n3i h ALA 168 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1n3i h ALA 168 Cb 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n3i h ALA 168 CO -0.00 0.34 -0.15 0.00 0.00 0.00 0.00 179.25 179.44 1n3i h ARG 169 N 0.87 0.00 -0.02 0.00 3.08 -0.72 -0.97 114.38 116.62 1n3i h ARG 169 Ca 0.22 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.17 1n3i h ARG 169 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1n3i h ARG 169 CO -0.03 0.15 -0.48 1.96 -1.07 0.00 0.00 179.97 180.49 1n3i h GLN 170 N 0.00 0.06 0.00 0.04 4.20 -0.08 0.19 115.11 119.52 1n3i h GLN 170 Ca -0.00 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1n3i h GLN 170 Cb 0.50 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1n3i h GLN 170 CO 0.02 0.53 -0.46 1.03 -0.67 0.00 0.00 178.83 179.28 1n3i h SER 171 N 0.05 0.40 -2.28 1.46 0.87 -0.83 -3.42 113.55 109.80 1n3i h SER 171 Ca -0.00 -0.78 -0.47 0.00 -1.23 0.00 0.00 61.79 59.32 1n3i h SER 171 Cb 0.88 -0.12 -0.35 0.00 -0.44 0.00 0.00 62.40 62.36 1n3i h SER 171 CO 0.07 1.12 -0.76 -0.62 -0.53 0.00 0.00 176.83 176.11 1n3i s ASP 172 N -6.57 2.09 0.60 6.23 2.15 -0.48 -5.00 116.67 115.68 1n3i s ASP 172 Ca -0.14 -1.78 0.26 0.00 0.43 0.00 0.00 52.55 51.31 1n3i s ASP 172 Cb 0.02 0.10 1.41 0.00 -0.30 0.00 0.00 42.92 44.15 1n3i s ASP 172 CO 0.79 -0.30 1.77 -0.65 -0.17 0.00 0.00 175.17 176.62 1n3i h PRO 173 N 7.17 0.00 -0.15 4.34 0.11 -0.87 -2.00 132.00 140.60 1n3i h PRO 173 Ca 0.03 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 1n3i h PRO 173 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1n3i h PRO 173 CO 0.25 0.00 -0.32 0.37 -0.21 0.00 0.00 178.00 178.09 1n3i h GLN 174 N 0.00 0.30 -6.20 1.05 4.15 -1.95 -3.47 115.11 109.00 1n3i h GLN 174 Ca 0.00 -0.12 -0.71 0.00 0.77 0.00 0.00 58.65 58.59 1n3i h GLN 174 Cb 0.68 -0.02 0.05 0.00 0.21 0.00 0.00 27.48 28.40 1n3i h GLN 174 CO 0.00 0.59 0.41 1.28 -1.93 0.00 0.00 178.83 179.18 1n3i n LEU 175 N -4.10 1.34 -4.98 -2.39 4.77 -0.75 -5.01 117.00 105.89 1n3i n LEU 175 Ca -0.01 1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 56.90 1n3i n LEU 175 Cb 0.42 -1.13 0.02 0.00 -2.33 0.00 0.00 43.42 40.41 1n3i n LEU 175 CO 0.41 -1.18 0.26 0.00 -1.33 0.00 0.00 177.39 175.56 1n3i s ALA 176 N 0.64 4.10 0.21 -1.18 0.00 -1.26 -4.95 121.76 119.32 1n3i s ALA 176 Ca 0.87 -1.41 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1n3i s ALA 176 Cb -1.04 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1n3i s ALA 176 CO 0.51 -0.50 -0.17 -1.21 0.00 0.00 0.00 175.76 174.39 1n3i s GLU 177 N -4.56 1.40 0.06 0.00 2.02 -1.26 -1.05 118.70 115.32 1n3i s GLU 177 Ca 0.54 -1.59 -0.26 0.00 0.02 0.00 0.00 54.97 53.68 1n3i s GLU 177 Cb -0.10 -1.32 0.09 0.00 0.10 0.00 0.00 34.13 32.89 1n3i s GLU 177 CO 0.36 0.24 0.79 0.20 0.02 0.00 0.00 175.26 176.87 1n3i s GLY 178 N -3.20 -0.50 -0.17 -1.39 0.00 -0.04 -4.88 107.32 97.13 1n3i s GLY 178 Ca 0.23 0.77 -0.21 0.00 0.00 0.00 0.00 44.72 45.50 1n3i s GLY 178 CO 0.09 0.25 0.64 0.14 0.00 0.00 0.00 173.10 174.21 1n3i s VAL 179 N -3.36 5.03 -0.20 1.40 1.01 -1.26 -1.39 120.40 121.64 1n3i s VAL 179 Ca 0.04 1.22 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 1n3i s VAL 179 Cb -0.01 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1n3i s VAL 179 CO -0.09 0.14 0.39 -0.47 0.00 0.00 0.00 175.10 175.07 1n3i s TYR 180 N 1.67 3.39 -0.27 5.22 5.04 -0.55 -0.51 117.35 131.35 1n3i s TYR 180 Ca 0.30 0.62 -0.12 0.00 -2.44 0.00 0.00 57.07 55.43 1n3i s TYR 180 Cb -0.16 -2.51 -0.05 0.00 0.35 0.00 0.00 41.96 39.59 1n3i s TYR 180 CO 0.11 0.02 0.24 0.00 -1.34 0.00 0.00 175.55 174.58 1n3i s ALA 181 N 1.21 3.55 -0.33 3.97 0.00 0.74 -0.33 121.76 130.58 1n3i s ALA 181 Ca 0.19 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 1n3i s ALA 181 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1n3i s ALA 181 CO 0.08 -0.50 0.28 0.20 0.00 0.00 0.00 175.76 175.81 1n3i s GLY 182 N 1.57 1.94 0.35 0.00 0.00 0.09 -1.15 107.32 110.13 1n3i s GLY 182 Ca 0.10 -1.28 0.08 0.00 0.00 0.00 0.00 44.72 43.61 1n3i s GLY 182 CO 0.09 0.84 0.20 1.08 0.00 0.00 0.00 173.10 175.32 1n3i s LEU 183 N 1.83 3.35 0.06 0.66 1.02 -0.14 -1.70 118.68 123.76 1n3i s LEU 183 Ca 0.08 -0.72 -0.20 0.00 0.02 0.00 0.00 54.13 53.31 1n3i s LEU 183 Cb -0.17 -1.86 -0.11 0.00 0.02 0.00 0.00 46.19 44.07 1n3i s LEU 183 CO 0.11 -0.35 1.48 -0.65 0.02 0.00 0.00 176.35 176.96 1n3i h PRO 184 N 1.43 0.33 0.00 1.29 0.11 -1.86 -3.39 132.00 129.91 1n3i h PRO 184 Ca -0.44 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1n3i h PRO 184 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n3i h PRO 184 CO 0.62 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 1n3i n GLY 185 N -0.25 -1.80 0.12 -0.55 0.00 -1.26 -4.01 105.19 97.43 1n3i n GLY 185 Ca -0.05 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.77 1n3i n GLY 185 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n3i n PRO 186 N -0.31 0.56 -2.27 1.61 -0.04 -1.26 -4.85 135.00 128.44 1n3i n PRO 186 Ca 0.00 -0.23 -0.36 0.00 -0.04 0.00 0.00 63.50 62.87 1n3i n PRO 186 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 1n3i n PRO 186 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1n3i s HIS 187 N -2.60 2.82 0.81 0.54 -3.43 -1.26 -5.02 115.29 107.16 1n3i s HIS 187 Ca 0.24 1.54 -0.12 0.00 -0.80 0.00 0.00 55.06 55.93 1n3i s HIS 187 Cb 0.19 -3.33 0.08 0.00 -1.43 0.00 0.00 32.58 28.09 1n3i s HIS 187 CO 0.52 -1.48 1.13 0.71 -2.00 0.00 0.00 174.74 173.61 1n3i s TYR 188 N -1.64 2.88 0.57 0.38 1.51 -1.26 -5.03 117.35 114.76 1n3i s TYR 188 Ca 0.67 0.95 -0.14 0.00 -1.01 0.00 0.00 57.07 57.53 1n3i s TYR 188 Cb -0.26 -3.28 -0.06 0.00 -0.11 0.00 0.00 41.96 38.25 1n3i s TYR 188 CO 0.31 -1.80 1.01 -1.21 -1.11 0.00 0.00 175.55 172.75 1n3i s GLU 189 N -5.34 3.71 0.51 -0.62 8.01 -1.26 -5.07 118.70 118.64 1n3i s GLU 189 Ca 0.61 0.90 -0.07 0.00 0.01 0.00 0.00 54.97 56.43 1n3i s GLU 189 Cb -0.13 -2.10 -0.04 0.00 -4.31 0.00 0.00 34.13 27.55 1n3i s GLU 189 CO 0.52 -0.47 0.84 0.95 0.01 0.00 0.00 175.26 177.11 1n3i s THR 190 N -2.83 4.86 0.27 3.63 -4.23 -1.26 -4.68 115.64 111.39 1n3i s THR 190 Ca 0.58 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 61.44 1n3i s THR 190 Cb -0.11 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.13 1n3i s THR 190 CO 0.41 -0.91 1.87 -0.65 -0.54 0.00 0.00 174.62 174.80 1n3i h PRO 191 N 0.13 1.08 -0.59 3.99 0.11 -1.98 -1.18 132.00 133.56 1n3i h PRO 191 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1n3i h PRO 191 Cb 1.20 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1n3i h PRO 191 CO 0.62 0.71 0.24 0.00 -0.21 0.00 0.00 178.00 179.36 1n3i h ALA 192 N 1.46 1.32 -0.29 -0.75 0.00 -1.93 -1.09 119.26 117.98 1n3i h ALA 192 Ca 0.44 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1n3i h ALA 192 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n3i h ALA 192 CO -0.19 0.51 -0.29 0.93 0.00 0.00 0.00 179.25 180.21 1n3i h GLU 193 N 0.84 0.59 -0.58 0.00 5.08 -1.63 -1.37 114.58 117.52 1n3i h GLU 193 Ca 0.20 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1n3i h GLU 193 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1n3i h GLU 193 CO -0.02 0.82 0.07 0.82 -1.00 0.00 0.00 179.01 179.70 1n3i h ILE 194 N 0.51 1.26 -0.38 3.13 1.08 -0.53 0.73 117.51 123.31 1n3i h ILE 194 Ca 0.06 -1.02 -0.07 0.00 -0.39 0.00 0.00 64.86 63.44 1n3i h ILE 194 Cb 0.76 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 1n3i h ILE 194 CO 0.06 0.37 -0.07 0.03 -0.69 0.00 0.00 178.15 177.86 1n3i h ARG 195 N 0.87 0.64 -0.27 2.37 3.08 -1.00 -1.43 114.38 118.63 1n3i h ARG 195 Ca 0.17 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1n3i h ARG 195 Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1n3i h ARG 195 CO 0.02 0.70 0.11 1.98 -1.07 0.00 0.00 179.97 181.71 1n3i h MET 196 N 0.59 0.41 -0.60 0.04 4.05 -0.70 -1.99 114.93 116.73 1n3i h MET 196 Ca 0.11 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1n3i h MET 196 Cb 0.47 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1n3i h MET 196 CO 0.02 0.43 0.36 -0.07 0.23 0.00 0.00 176.91 177.89 1n3i h LEU 197 N 0.30 0.70 -0.50 3.39 3.38 -0.42 -0.55 115.31 121.61 1n3i h LEU 197 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1n3i h LEU 197 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n3i h LEU 197 CO -0.01 0.54 0.16 1.56 0.09 0.00 0.00 178.44 180.78 1n3i h GLN 198 N 0.82 0.78 -0.11 1.13 4.20 -1.01 -0.65 115.11 120.28 1n3i h GLN 198 Ca 0.22 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1n3i h GLN 198 Cb -0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1n3i h GLN 198 CO -0.04 0.73 -0.12 1.15 -0.67 0.00 0.00 178.83 179.87 1n3i h THR 199 N 0.68 1.15 0.00 -0.54 2.02 -0.56 -1.97 112.91 113.69 1n3i h THR 199 Ca 0.16 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1n3i h THR 199 Cb 0.27 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1n3i h THR 199 CO -0.01 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.27 1n3i n LEU 200 N -4.31 0.00 0.00 2.58 4.77 -0.30 -4.91 117.00 114.83 1n3i n LEU 200 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1n3i n LEU 200 Cb 0.24 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1n3i n LEU 200 CO 0.37 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1n3i n GLY 201 N 1.25 0.97 3.77 -0.72 0.00 -0.74 -5.07 105.19 104.65 1n3i n GLY 201 Ca 0.11 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1n3i n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3i s ALA 202 N -2.00 3.43 -0.05 4.61 0.00 -0.31 -4.65 121.76 122.79 1n3i s ALA 202 Ca 0.00 0.36 0.10 0.00 0.00 0.00 0.00 51.96 52.42 1n3i s ALA 202 Cb 0.00 -2.98 -0.14 0.00 0.00 0.00 0.00 23.12 20.00 1n3i s ALA 202 CO 0.00 0.25 0.15 -0.25 0.00 0.00 0.00 175.76 175.91 1n3i n ASP 203 N 1.78 2.63 -4.08 0.00 8.00 0.34 -4.41 116.55 120.81 1n3i n ASP 203 Ca -0.05 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.31 1n3i n ASP 203 Cb 0.49 1.17 -0.12 0.00 -0.02 0.00 0.00 41.12 42.64 1n3i n ASP 203 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n3i s LEU 204 N -4.13 2.25 -0.03 0.64 1.43 -0.41 -0.54 118.68 117.90 1n3i s LEU 204 Ca -0.04 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1n3i s LEU 204 Cb 0.05 -0.22 0.01 0.00 0.03 0.00 0.00 46.19 46.06 1n3i s LEU 204 CO 0.42 -0.18 -0.08 0.54 0.23 0.00 0.00 176.35 177.28 1n3i s VAL 205 N -1.33 0.70 0.12 -1.59 0.11 -0.64 -0.19 120.40 117.59 1n3i s VAL 205 Ca -0.08 -0.29 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1n3i s VAL 205 Cb -0.10 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1n3i s VAL 205 CO 0.01 0.23 0.19 0.61 -3.33 0.00 0.00 175.10 172.81 1n3i n GLY 206 N 3.48 2.47 1.56 6.54 0.00 -0.30 -0.85 105.19 118.11 1n3i n GLY 206 Ca -0.20 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1n3i n GLY 206 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n3i n MET 207 N -0.18 1.86 0.00 1.61 2.81 -1.26 -0.97 117.12 120.99 1n3i n MET 207 Ca -0.01 -3.32 0.00 0.00 -1.81 0.00 0.00 57.70 52.56 1n3i n MET 207 Cb 0.19 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1n3i n MET 207 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1n3i n SER 208 N -0.58 0.00 0.00 7.83 3.41 -1.26 -4.59 113.62 118.42 1n3i n SER 208 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1n3i n SER 208 Cb 0.88 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1n3i n SER 208 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n3i n THR 209 N 0.00 0.00 -0.28 6.66 -1.04 -1.26 -4.62 114.28 113.74 1n3i n THR 209 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1n3i n THR 209 Cb 0.00 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 68.70 1n3i n THR 209 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1n3i h VAL 210 N 0.00 0.77 -0.20 12.58 -1.51 -1.96 0.49 116.25 126.42 1n3i h VAL 210 Ca 0.00 -0.21 -0.20 0.00 -1.23 0.00 0.00 66.70 65.06 1n3i h VAL 210 Cb 0.00 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.27 1n3i h VAL 210 CO 0.00 0.11 -0.68 0.45 -1.23 0.00 0.00 177.57 176.22 1n3i h HIS 211 N 0.61 1.03 -0.82 5.19 3.86 -1.97 -1.93 115.15 121.11 1n3i h HIS 211 Ca 0.42 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1n3i h HIS 211 Cb 0.54 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1n3i h HIS 211 CO -0.11 1.24 0.43 0.93 0.86 0.00 0.00 177.93 181.28 1n3i h GLU 212 N 0.57 1.16 -0.48 2.45 3.07 -1.74 0.77 114.58 120.38 1n3i h GLU 212 Ca -0.02 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1n3i h GLU 212 Cb 1.29 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1n3i h GLU 212 CO 0.14 0.87 0.05 1.15 -1.40 0.00 0.00 179.01 179.82 1n3i h THR 213 N 1.16 1.25 -0.30 1.13 2.02 -0.83 0.99 112.91 118.34 1n3i h THR 213 Ca 0.29 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1n3i h THR 213 Cb 0.06 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1n3i h THR 213 CO -0.04 0.34 0.13 0.40 0.37 0.00 0.00 175.52 176.72 1n3i h ILE 214 N 0.67 1.17 -0.65 3.11 2.04 -0.78 -1.31 117.51 121.76 1n3i h ILE 214 Ca 0.14 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1n3i h ILE 214 Cb 0.43 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1n3i h ILE 214 CO 0.01 0.17 0.28 0.00 0.00 0.00 0.00 178.15 178.62 1n3i h ALA 215 N 0.98 0.84 -0.27 1.87 0.00 -0.70 -0.54 119.26 121.44 1n3i h ALA 215 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n3i h ALA 215 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n3i h ALA 215 CO -0.01 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.84 1n3i h ALA 216 N 1.12 0.34 -0.61 0.00 0.00 -0.54 -0.63 119.26 118.93 1n3i h ALA 216 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1n3i h ALA 216 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1n3i h ALA 216 CO -0.02 -0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.30 1n3i h ARG 217 N 0.34 0.90 0.00 0.00 2.47 -1.01 -0.22 114.38 116.85 1n3i h ARG 217 Ca 0.10 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1n3i h ARG 217 Cb -0.02 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.14 1n3i h ARG 217 CO -0.03 0.74 -0.09 0.00 0.56 0.00 0.00 179.97 181.14 1n3i h ALA 218 N 1.11 1.79 -0.29 0.04 0.00 -0.71 -1.36 119.26 119.84 1n3i h ALA 218 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n3i h ALA 218 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n3i h ALA 218 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1n3i n ALA 219 N -2.50 2.47 -0.84 0.00 0.00 -0.28 -4.94 120.51 114.43 1n3i n ALA 219 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1n3i n ALA 219 Cb 0.17 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1n3i n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n3i n GLY 220 N 1.22 0.51 3.79 0.00 0.00 -0.51 -5.05 105.19 105.15 1n3i n GLY 220 Ca 0.16 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1n3i n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3i s ALA 221 N -2.00 3.61 0.53 4.61 0.00 -0.16 -4.98 121.76 123.36 1n3i s ALA 221 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1n3i s ALA 221 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1n3i s ALA 221 CO 0.00 0.75 0.90 -1.21 0.00 0.00 0.00 175.76 176.19 1n3i s GLU 222 N -2.27 3.64 -0.02 0.00 2.02 -0.01 -3.90 118.70 118.16 1n3i s GLU 222 Ca 0.28 0.52 0.02 0.00 0.02 0.00 0.00 54.97 55.82 1n3i s GLU 222 Cb -0.12 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1n3i s GLU 222 CO 0.21 -0.33 -0.08 0.08 0.02 0.00 0.00 175.26 175.17 1n3i s VAL 223 N -2.84 0.65 -0.17 2.63 1.01 -1.26 -0.53 120.40 119.88 1n3i s VAL 223 Ca 0.52 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1n3i s VAL 223 Cb -0.11 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1n3i s VAL 223 CO 0.45 0.20 -0.20 -0.22 0.00 0.00 0.00 175.10 175.33 1n3i s LEU 224 N 0.05 2.14 -0.12 3.92 2.96 0.06 -2.41 118.68 125.29 1n3i s LEU 224 Ca -0.00 -0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1n3i s LEU 224 Cb -0.06 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1n3i s LEU 224 CO -0.00 0.01 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.16 1n3i s GLY 225 N 1.21 1.71 -0.11 7.98 0.00 -1.26 -0.60 107.32 116.25 1n3i s GLY 225 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1n3i s GLY 225 CO -0.11 -0.32 -0.02 0.14 0.00 0.00 0.00 173.10 172.79 1n3i s VAL 226 N -0.14 0.67 -0.03 1.40 1.01 -0.44 -0.48 120.40 122.38 1n3i s VAL 226 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1n3i s VAL 226 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1n3i s VAL 226 CO 0.03 0.20 0.12 -0.44 0.00 0.00 0.00 175.10 175.01 1n3i s SER 227 N 1.84 6.04 -0.28 3.32 0.01 0.10 -1.74 113.70 123.00 1n3i s SER 227 Ca 0.04 0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.54 1n3i s SER 227 Cb -0.13 -1.84 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1n3i s SER 227 CO -0.07 0.30 0.01 -0.22 0.41 0.00 0.00 173.24 173.67 1n3i s LEU 228 N -1.63 3.60 -0.47 2.44 2.96 -0.15 0.74 118.68 126.18 1n3i s LEU 228 Ca 0.22 -0.90 -0.27 0.00 -0.22 0.00 0.00 54.13 52.96 1n3i s LEU 228 Cb -0.12 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1n3i s LEU 228 CO 0.13 -0.18 1.86 -0.69 -1.32 0.00 0.00 176.35 176.15 1n3i s VAL 229 N 1.38 3.40 -1.21 1.68 1.01 -0.65 -1.58 120.40 124.42 1n3i s VAL 229 Ca -0.00 0.34 0.24 0.00 0.00 0.00 0.00 61.98 62.56 1n3i s VAL 229 Cb -0.18 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1n3i s VAL 229 CO -0.01 -0.61 1.29 0.35 0.00 0.00 0.00 175.10 176.12 1n3i n THR 230 N 7.36 0.00 -3.58 3.92 -2.24 -0.74 0.92 114.28 119.91 1n3i n THR 230 Ca 0.23 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1n3i n THR 230 Cb 0.50 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1n3i n THR 230 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n3i s ASN 231 N -2.88 -0.23 0.32 3.42 4.22 -1.25 -4.70 114.94 113.84 1n3i s ASN 231 Ca 0.13 0.14 -0.26 0.00 -2.14 0.00 0.00 52.86 50.73 1n3i s ASN 231 Cb 0.17 0.21 -0.10 0.00 1.28 0.00 0.00 41.25 42.82 1n3i s ASN 231 CO 0.70 -0.30 0.94 -0.76 -2.04 0.00 0.00 177.10 175.65 1n3i s LEU 232 N -1.67 4.35 0.82 3.54 1.43 -1.26 -0.09 118.68 125.81 1n3i s LEU 232 Ca 0.05 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 1n3i s LEU 232 Cb -0.01 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1n3i s LEU 232 CO -0.04 -0.06 0.71 0.00 0.23 0.00 0.00 176.35 177.19 1n3i n ALA 233 N 0.60 -1.38 -1.63 4.21 0.00 0.12 -4.65 120.51 117.78 1n3i n ALA 233 Ca 0.02 -0.38 -0.46 0.00 0.00 0.00 0.00 53.44 52.61 1n3i n ALA 233 Cb 0.50 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1n3i n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3i n ALA 234 N -3.06 0.23 0.00 0.00 0.00 -1.26 -1.91 120.51 114.52 1n3i n ALA 234 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1n3i n ALA 234 Cb 0.51 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1n3i n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n3i n GLY 235 N 1.91 3.14 0.26 0.00 0.00 -1.26 -4.35 105.19 104.89 1n3i n GLY 235 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1n3i n GLY 235 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n3i h ILE 236 N 0.00 1.27 0.00 -0.61 2.04 -1.71 -3.35 117.51 115.16 1n3i h ILE 236 Ca 0.00 -1.29 -0.18 0.00 1.00 0.00 0.00 64.86 64.39 1n3i h ILE 236 Cb 0.00 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1n3i h ILE 236 CO 0.00 0.44 -1.70 0.35 0.00 0.00 0.00 178.15 177.24 1n3i n THR 237 N -4.23 0.70 -0.27 -0.27 -2.24 -1.26 -5.01 114.28 101.69 1n3i n THR 237 Ca -0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1n3i n THR 237 Cb 0.41 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1n3i n THR 237 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n3i n GLY 238 N 2.52 0.68 3.84 3.38 0.00 -1.26 -5.06 105.19 109.29 1n3i n GLY 238 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1n3i n GLY 238 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n3i s GLU 239 N -0.69 4.07 0.25 1.61 4.04 -1.26 -4.96 118.70 121.76 1n3i s GLU 239 Ca 0.00 0.87 -0.30 0.00 0.04 0.00 0.00 54.97 55.58 1n3i s GLU 239 Cb 0.00 -2.29 -0.09 0.00 0.02 0.00 0.00 34.13 31.77 1n3i s GLU 239 CO 0.00 0.02 1.12 -1.25 -1.84 0.00 0.00 175.26 173.32 1n3i s PRO 240 N -3.23 4.60 0.01 -4.83 0.04 -1.26 -4.86 135.00 125.47 1n3i s PRO 240 Ca 0.58 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 1n3i s PRO 240 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1n3i s PRO 240 CO 0.18 0.12 0.23 -0.51 0.04 0.00 0.00 177.00 177.06 1n3i s LEU 241 N -1.05 4.36 0.00 -3.56 1.43 -1.26 -5.09 118.68 113.52 1n3i s LEU 241 Ca 0.47 0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.85 1n3i s LEU 241 Cb -0.32 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1n3i s LEU 241 CO 0.40 0.24 0.32 -0.94 0.23 0.00 0.00 176.35 176.59 1n3i s SER 242 N -1.94 -0.18 0.27 2.29 1.04 -1.26 -5.05 113.70 108.87 1n3i s SER 242 Ca 0.29 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1n3i s SER 242 Cb -0.13 0.33 0.34 0.00 0.10 0.00 0.00 66.02 66.66 1n3i s SER 242 CO 0.19 -0.50 1.94 -0.74 0.98 0.00 0.00 173.24 175.11 1n3i h HIS 243 N 3.67 1.18 -0.99 5.02 2.76 -1.99 -1.62 115.15 123.19 1n3i h HIS 243 Ca -0.30 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.91 1n3i h HIS 243 Cb 1.18 -0.40 -0.05 0.00 1.55 0.00 0.00 27.41 29.69 1n3i h HIS 243 CO 0.50 0.73 0.65 0.00 -1.30 0.00 0.00 177.93 178.52 1n3i h ALA 244 N 1.42 1.31 -0.68 5.26 0.00 -1.98 0.11 119.26 124.69 1n3i h ALA 244 Ca 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1n3i h ALA 244 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.25 1n3i h ALA 244 CO -0.08 0.64 0.14 0.93 0.00 0.00 0.00 179.25 180.87 1n3i h GLU 245 N 1.33 1.10 -0.16 0.00 4.39 -1.75 0.28 114.58 119.77 1n3i h GLU 245 Ca 0.37 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1n3i h GLU 245 Cb -0.13 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1n3i h GLU 245 CO -0.08 1.00 0.09 0.28 -1.16 0.00 0.00 179.01 179.14 1n3i h VAL 246 N 1.03 1.02 -0.57 3.13 2.07 -0.38 0.97 116.25 123.53 1n3i h VAL 246 Ca 0.21 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1n3i h VAL 246 Cb 0.41 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1n3i h VAL 246 CO 0.01 0.04 0.26 -0.07 0.02 0.00 0.00 177.57 177.82 1n3i h LEU 247 N 0.20 0.76 -0.49 2.57 3.38 -0.75 -1.59 115.31 119.39 1n3i h LEU 247 Ca 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1n3i h LEU 247 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n3i h LEU 247 CO -0.02 0.69 0.26 0.00 0.09 0.00 0.00 178.44 179.46 1n3i h ALA 248 N 1.10 0.63 -0.64 1.53 0.00 -0.66 -1.00 119.26 120.23 1n3i h ALA 248 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n3i h ALA 248 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1n3i h ALA 248 CO -0.02 0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.78 1n3i h ALA 249 N 1.11 0.81 -0.69 0.00 0.00 -0.60 -2.34 119.26 117.55 1n3i h ALA 249 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1n3i h ALA 249 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1n3i h ALA 249 CO -0.03 0.27 0.22 0.78 0.00 0.00 0.00 179.25 180.49 1n3i h GLY 250 N 0.86 1.13 1.60 0.00 0.00 -0.98 -2.74 103.07 102.95 1n3i h GLY 250 Ca 0.23 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1n3i h GLY 250 CO -0.05 0.61 0.23 0.00 0.00 0.00 0.00 176.54 177.33 1n3i h ALA 251 N 1.22 1.66 0.00 3.60 0.00 -0.66 -1.89 119.26 123.18 1n3i h ALA 251 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n3i h ALA 251 Cb 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1n3i h ALA 251 CO -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1n3i h ALA 252 N 1.71 1.10 -0.27 0.00 0.00 -1.15 -2.39 119.26 118.26 1n3i h ALA 252 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n3i h ALA 252 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n3i h ALA 252 CO -0.03 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1n3i n SER 253 N -3.25 2.83 -0.32 0.00 7.64 -0.73 -4.72 113.62 115.06 1n3i n SER 253 Ca -0.02 -2.10 0.12 0.00 1.01 0.00 0.00 58.87 57.88 1n3i n SER 253 Cb 0.16 -0.22 0.30 0.00 -1.01 0.00 0.00 64.21 63.44 1n3i n SER 253 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n3i h ALA 254 N 1.62 1.51 0.38 -0.43 0.00 -1.19 -0.72 119.26 120.42 1n3i h ALA 254 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n3i h ALA 254 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1n3i h ALA 254 CO 0.02 -0.18 -0.18 1.15 0.00 0.00 0.00 179.25 180.06 1n3i h THR 255 N 0.59 0.63 -0.59 0.00 2.02 -1.84 0.29 112.91 114.02 1n3i h THR 255 Ca 0.55 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.68 1n3i h THR 255 Cb 0.93 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1n3i h THR 255 CO -0.43 0.01 0.31 -0.09 0.37 0.00 0.00 175.52 175.68 1n3i h ARG 256 N -0.52 0.83 0.30 6.66 2.43 -1.81 -2.13 114.38 120.14 1n3i h ARG 256 Ca -0.05 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1n3i h ARG 256 Cb 0.40 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1n3i h ARG 256 CO 0.08 0.65 -0.17 0.52 -1.51 0.00 0.00 179.97 179.54 1n3i h MET 257 N 0.80 -0.43 -0.72 0.20 2.86 -0.99 0.11 114.93 116.76 1n3i h MET 257 Ca 0.21 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1n3i h MET 257 Cb 0.07 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1n3i h MET 257 CO -0.03 -0.29 0.43 0.78 1.06 0.00 0.00 176.91 178.86 1n3i h GLY 258 N -0.45 1.05 0.93 8.32 0.00 -0.91 -1.80 103.07 110.21 1n3i h GLY 258 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1n3i h GLY 258 CO 0.04 0.43 0.12 0.00 0.00 0.00 0.00 176.54 177.14 1n3i h ALA 259 N 1.22 0.33 -0.10 3.60 0.00 -1.23 -2.19 119.26 120.90 1n3i h ALA 259 Ca 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1n3i h ALA 259 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1n3i h ALA 259 CO -0.05 -0.10 -0.10 1.25 0.00 0.00 0.00 179.25 180.25 1n3i h LEU 260 N 0.29 -0.32 -0.24 0.00 5.85 -0.51 -1.45 115.31 118.93 1n3i h LEU 260 Ca 0.09 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1n3i h LEU 260 Cb 0.12 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1n3i h LEU 260 CO -0.01 -0.14 0.10 -0.07 -0.34 0.00 0.00 178.44 177.98 1n3i h LEU 261 N -0.13 0.14 -0.73 2.25 3.38 -1.25 -0.63 115.31 118.35 1n3i h LEU 261 Ca 0.07 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1n3i h LEU 261 Cb 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1n3i h LEU 261 CO -0.18 0.11 0.48 0.00 0.09 0.00 0.00 178.44 178.94 1n3i h ALA 262 N 1.13 0.93 -0.15 1.53 0.00 -1.19 -1.76 119.26 119.75 1n3i h ALA 262 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1n3i h ALA 262 Cb 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1n3i h ALA 262 CO -0.09 0.31 -0.34 0.22 0.00 0.00 0.00 179.25 179.36 1n3i h ASP 263 N 0.96 0.55 -0.31 0.00 3.58 -1.02 -2.99 116.42 117.19 1n3i h ASP 263 Ca 0.27 -0.57 -0.04 0.00 0.42 0.00 0.00 57.03 57.12 1n3i h ASP 263 Cb -0.08 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1n3i h ASP 263 CO -0.07 1.02 0.04 0.58 -2.88 0.00 0.00 179.24 177.92 1n3i h VAL 264 N 0.11 1.24 -0.63 2.25 2.07 -1.05 -2.95 116.25 117.29 1n3i h VAL 264 Ca 0.00 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1n3i h VAL 264 Cb 0.94 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1n3i h VAL 264 CO 0.07 0.28 0.42 0.40 0.02 0.00 0.00 177.57 178.76 1n3i h ILE 265 N 0.34 1.10 0.00 4.57 2.04 -1.41 0.18 117.51 124.34 1n3i h ILE 265 Ca 0.09 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1n3i h ILE 265 Cb 0.37 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1n3i h ILE 265 CO 0.01 0.14 -0.13 0.00 0.00 0.00 0.00 178.15 178.17 1n3i h ALA 266 N 1.63 1.18 0.00 1.87 0.00 -1.36 -2.24 119.26 120.33 1n3i h ALA 266 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n3i h ALA 266 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n3i h ALA 266 CO -0.07 0.16 -0.15 0.00 0.00 0.00 0.00 179.25 179.19 1n3i h ARG 267 N 0.00 0.00 0.00 0.00 3.08 -0.82 -3.44 114.38 113.20 1n3i h ARG 267 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n3i h ARG 267 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1n3i h ARG 267 CO 0.02 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.11