#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2i s PHE 26 N -1.57 2.74 0.00 0.00 5.36 -1.26 -1.93 117.98 121.32 1h2i s PHE 26 Ca 0.16 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1h2i s PHE 26 Cb -0.01 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 1h2i s PHE 26 CO 0.11 -3.32 0.00 0.41 -1.46 0.00 0.00 175.22 170.96 1h2i n GLY 27 N 1.71 1.44 0.02 13.12 0.00 -0.28 -4.85 105.19 116.35 1h2i n GLY 27 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 2.31 -2.14 1.61 6.02 -0.81 -3.90 117.38 118.47 1h2i n GLN 28 Ca 0.00 -1.44 -0.29 0.00 -0.01 0.00 0.00 57.00 55.26 1h2i n GLN 28 Cb 0.00 -0.96 0.02 0.00 1.02 0.00 0.00 30.24 30.32 1h2i n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2i s GLN 30 N -5.11 1.33 0.35 0.00 0.74 -1.26 -4.17 119.66 111.53 1h2i s GLN 30 Ca 0.54 -0.49 -0.27 0.00 0.05 0.00 0.00 55.36 55.20 1h2i s GLN 30 Cb -0.11 -1.22 -0.09 0.00 1.10 0.00 0.00 33.01 32.69 1h2i s GLN 30 CO 0.50 0.23 1.16 0.71 -0.55 0.00 0.00 175.29 177.33 1h2i s TYR 31 N -0.03 3.27 0.56 1.67 1.51 -1.26 -5.00 117.35 118.05 1h2i s TYR 31 Ca -0.01 1.59 -0.16 0.00 -1.01 0.00 0.00 57.07 57.49 1h2i s TYR 31 Cb -0.09 -3.38 -0.06 0.00 -0.11 0.00 0.00 41.96 38.33 1h2i s TYR 31 CO 0.01 -1.07 1.02 0.95 -1.11 0.00 0.00 175.55 175.35 1h2i s THR 32 N -1.30 4.19 0.24 -0.71 -4.23 -1.26 -4.82 115.64 107.75 1h2i s THR 32 Ca 0.51 1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 62.01 1h2i s THR 32 Cb -0.32 -3.56 0.21 0.00 1.34 0.00 0.00 72.50 70.17 1h2i s THR 32 CO 0.41 -0.62 1.73 0.00 -0.54 0.00 0.00 174.62 175.60 1h2i h ALA 33 N 0.65 1.03 -0.24 3.99 0.00 -1.99 0.46 119.26 123.17 1h2i h ALA 33 Ca -0.47 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1h2i h ALA 33 Cb 1.20 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1h2i h ALA 33 CO 0.60 -0.22 0.12 1.49 0.00 0.00 0.00 179.25 181.23 1h2i h GLU 34 N 0.42 0.34 -0.36 0.00 4.81 -1.99 -0.58 114.58 117.22 1h2i h GLU 34 Ca 0.41 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1h2i h GLU 34 Cb 0.62 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1h2i h GLU 34 CO -0.41 0.34 -0.16 1.49 -0.73 0.00 0.00 179.01 179.54 1h2i h GLU 35 N 0.26 0.74 -0.12 1.92 4.81 -1.75 -1.66 114.58 118.79 1h2i h GLU 35 Ca 0.08 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1h2i h GLU 35 Cb 0.11 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1h2i h GLU 35 CO -0.01 0.93 -0.24 -0.92 -0.73 0.00 0.00 179.01 178.04 1h2i h TYR 36 N 0.53 -0.64 -0.41 0.92 3.20 -0.84 -0.72 116.97 119.01 1h2i h TYR 36 Ca 0.08 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1h2i h TYR 36 Cb 0.70 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1h2i h TYR 36 CO 0.06 -0.32 0.26 0.37 -1.64 0.00 0.00 178.16 176.89 1h2i h GLN 37 N -0.31 0.51 -0.67 1.82 4.15 -0.99 0.74 115.11 120.36 1h2i h GLN 37 Ca 0.10 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1h2i h GLN 37 Cb 0.45 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1h2i h GLN 37 CO -0.30 0.34 0.41 0.00 -1.93 0.00 0.00 178.83 177.35 1h2i h ALA 38 N 1.17 0.86 -0.28 3.38 0.00 -0.98 -2.49 119.26 120.91 1h2i h ALA 38 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 38 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1h2i h ALA 38 CO -0.05 0.33 -0.20 0.82 0.00 0.00 0.00 179.25 180.15 1h2i h ILE 39 N 0.91 1.30 -0.55 0.00 2.04 -0.78 -0.86 117.51 119.57 1h2i h ILE 39 Ca 0.24 -1.33 0.11 0.00 1.00 0.00 0.00 64.86 64.88 1h2i h ILE 39 Cb -0.03 1.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 1h2i h ILE 39 CO -0.05 0.42 0.01 1.56 0.00 0.00 0.00 178.15 180.10 1h2i h GLN 40 N 0.37 0.12 0.12 2.37 1.08 -0.66 0.20 115.11 118.72 1h2i h GLN 40 Ca 0.06 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1h2i h GLN 40 Cb 0.74 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1h2i h GLN 40 CO 0.05 0.08 -0.06 0.87 -0.95 0.00 0.00 178.83 178.83 1h2i h LYS 41 N 0.13 -0.16 -0.86 1.46 1.57 -1.41 -3.14 116.57 114.16 1h2i h LYS 41 Ca 0.28 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.17 1h2i h LYS 41 Cb 0.43 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1h2i h LYS 41 CO -0.45 0.12 0.56 0.00 -0.57 0.00 0.00 179.45 179.11 1h2i h ALA 42 N 0.40 1.70 0.00 3.86 0.00 -0.53 -1.75 119.26 122.93 1h2i h ALA 42 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 42 Cb 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1h2i h ALA 42 CO 0.03 0.11 -0.06 -0.07 0.00 0.00 0.00 179.25 179.27 1h2i h LEU 43 N 0.81 0.00 -1.14 0.00 3.38 -0.93 -2.70 115.31 114.74 1h2i h LEU 43 Ca 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 1h2i h LEU 43 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1h2i h LEU 43 CO -0.17 0.06 -0.35 0.03 0.09 0.00 0.00 178.44 178.10 1h2i h ARG 44 N 0.00 0.14 -6.59 1.13 3.08 -1.34 0.14 114.38 110.94 1h2i h ARG 44 Ca -0.00 -0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.40 1h2i h ARG 44 Cb 0.13 -0.01 0.12 0.00 0.08 0.00 0.00 29.97 30.30 1h2i h ARG 44 CO 0.01 0.48 0.19 1.04 -1.07 0.00 0.00 179.97 180.61 1h2i n GLN 45 N -4.09 1.45 -3.19 0.04 6.02 -1.02 -4.56 117.38 112.02 1h2i n GLN 45 Ca -0.01 0.51 -0.25 0.00 -0.01 0.00 0.00 57.00 57.24 1h2i n GLN 45 Cb 0.41 -1.99 -0.01 0.00 1.02 0.00 0.00 30.24 29.67 1h2i n GLN 45 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h2i s ARG 46 N -1.81 3.47 -0.05 -1.09 0.52 -1.26 -1.44 118.95 117.29 1h2i s ARG 46 Ca 0.60 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.52 1h2i s ARG 46 Cb -0.61 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1h2i s ARG 46 CO 0.59 0.04 0.18 -0.48 0.02 0.00 0.00 175.30 175.66 1h2i s LEU 47 N -4.43 4.38 1.15 2.53 2.34 -1.26 -4.92 118.68 118.48 1h2i s LEU 47 Ca 0.42 0.45 -0.15 0.00 0.06 0.00 0.00 54.13 54.92 1h2i s LEU 47 Cb -0.10 -2.39 0.27 0.00 -0.56 0.00 0.00 46.19 43.41 1h2i s LEU 47 CO 0.38 0.33 1.05 -0.83 -1.06 0.00 0.00 176.35 176.21 1h2i s GLY 48 N -1.49 1.54 0.59 -3.48 0.00 -1.26 -4.89 107.32 98.33 1h2i s GLY 48 Ca 0.22 -0.42 0.29 0.00 0.00 0.00 0.00 44.72 44.81 1h2i s GLY 48 CO 0.12 0.33 2.14 -2.55 0.00 0.00 0.00 173.10 173.14 1h2i h PRO 49 N -2.49 0.00 0.00 2.90 0.11 -1.95 -2.10 132.00 128.47 1h2i h PRO 49 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1h2i h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h2i h PRO 49 CO 0.49 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.43 1h2i n GLU 50 N -3.78 0.01 -0.09 1.05 0.00 -1.26 -2.58 120.64 113.99 1h2i n GLU 50 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 57.16 57.40 1h2i n GLU 50 Cb 0.26 -1.52 -0.15 0.00 0.00 0.00 0.00 31.44 30.03 1h2i n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1h2i n TYR 51 N -1.54 0.17 -2.86 -1.84 4.02 -0.79 -4.98 117.16 109.33 1h2i n TYR 51 Ca 0.02 0.05 -0.41 0.00 -0.01 0.00 0.00 57.90 57.56 1h2i n TYR 51 Cb 0.10 -1.03 -0.04 0.00 -0.02 0.00 0.00 39.34 38.35 1h2i n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1h2i s ILE 52 N -2.51 4.72 0.34 -0.72 -1.09 -1.06 -4.47 121.20 116.40 1h2i s ILE 52 Ca -0.15 1.83 0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1h2i s ILE 52 Cb 0.07 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1h2i s ILE 52 CO 0.78 0.30 0.11 -0.94 -1.23 0.00 0.00 174.94 173.96 1h2i s SER 53 N 0.26 2.15 0.13 3.58 1.04 -0.54 -4.98 113.70 115.34 1h2i s SER 53 Ca 0.43 -1.51 -0.13 0.00 0.48 0.00 0.00 55.95 55.23 1h2i s SER 53 Cb -0.21 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1h2i s SER 53 CO 0.25 -0.78 0.34 -0.94 0.98 0.00 0.00 173.24 173.09 1h2i s SER 54 N -3.48 -0.10 0.17 7.02 1.04 -1.26 -1.21 113.70 115.88 1h2i s SER 54 Ca 0.32 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 1h2i s SER 54 Cb 0.06 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1h2i s SER 54 CO 0.15 -0.85 0.19 0.00 0.98 0.00 0.00 173.24 173.71 1h2i s ARG 55 N -3.85 1.11 -0.25 4.02 1.70 -0.50 -4.96 118.95 116.23 1h2i s ARG 55 Ca 0.06 -1.36 -0.20 0.00 -0.47 0.00 0.00 55.73 53.76 1h2i s ARG 55 Cb 0.03 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.09 -0.38 0.59 -1.64 -1.08 0.00 0.00 175.30 172.71 1h2i s MET 56 N -4.04 4.12 0.74 3.89 -1.94 -1.26 -1.38 119.30 119.43 1h2i s MET 56 Ca 0.24 0.49 -0.11 0.00 -1.71 0.00 0.00 55.69 54.60 1h2i s MET 56 Cb 0.05 -3.64 0.04 0.00 2.01 0.00 0.00 34.83 33.29 1h2i s MET 56 CO 0.04 -0.36 1.08 0.00 -0.01 0.00 0.00 175.02 175.77 1h2i s ALA 57 N 2.33 2.51 0.37 3.03 0.00 0.27 -4.89 121.76 125.38 1h2i s ALA 57 Ca 0.25 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.16 1h2i s ALA 57 Cb -0.16 -3.12 0.79 0.00 0.00 0.00 0.00 23.12 20.63 1h2i s ALA 57 CO 0.09 -1.44 1.93 0.78 0.00 0.00 0.00 175.76 177.12 1h2i h GLY 58 N -0.88 0.99 -0.87 0.00 0.00 -1.97 -0.63 103.07 99.71 1h2i h GLY 58 Ca -0.46 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1h2i h GLY 58 CO 0.59 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.92 1h2i n GLY 59 N -1.45 0.69 3.49 4.60 0.00 -1.26 -4.74 105.19 106.53 1h2i n GLY 59 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.19 -0.53 3.05 -0.02 0.00 -0.25 -4.99 105.19 102.65 1h2i n GLY 60 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.20 1.27 0.32 1.61 -2.07 -1.22 -4.91 119.66 108.47 1h2i s GLN 61 Ca 0.52 -0.42 -0.29 0.00 -1.82 0.00 0.00 55.36 53.35 1h2i s GLN 61 Cb -0.24 -1.15 -0.12 0.00 -1.09 0.00 0.00 33.01 30.41 1h2i s GLN 61 CO 0.64 0.17 1.44 1.17 -1.32 0.00 0.00 175.29 177.39 1h2i n LYS 62 N 3.22 2.39 -3.91 9.60 4.81 -1.26 -0.56 118.16 132.45 1h2i n LYS 62 Ca -0.18 0.84 -0.25 0.00 -0.87 0.00 0.00 58.31 57.85 1h2i n LYS 62 Cb 0.54 -2.53 -0.17 0.00 0.02 0.00 0.00 35.03 32.89 1h2i n LYS 62 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1h2i s VAL 63 N -0.67 0.84 0.13 3.15 1.01 -0.48 -4.84 120.40 119.54 1h2i s VAL 63 Ca 0.59 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1h2i s VAL 63 Cb -0.54 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 1h2i s VAL 63 CO 0.57 0.33 0.43 0.00 0.00 0.00 0.00 175.10 176.44 1h2i s TYR 65 N -1.57 -0.24 -0.10 0.00 -0.85 -0.35 -4.99 117.35 109.25 1h2i s TYR 65 Ca 0.39 -0.05 -0.00 0.00 -0.52 0.00 0.00 57.07 56.88 1h2i s TYR 65 Cb -0.13 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1h2i s TYR 65 CO 0.21 -0.87 -0.07 0.42 -1.52 0.00 0.00 175.55 173.72 1h2i s ILE 66 N -3.46 3.66 0.27 -3.49 1.01 -1.26 -1.47 121.20 116.47 1h2i s ILE 66 Ca 0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 1h2i s ILE 66 Cb -0.02 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 1h2i s ILE 66 CO -0.01 0.56 1.14 -1.61 0.00 0.00 0.00 174.94 175.02 1h2i s GLU 67 N -0.36 4.58 0.30 2.79 2.02 -1.26 -4.90 118.70 121.87 1h2i s GLU 67 Ca 0.05 1.87 0.06 0.00 0.02 0.00 0.00 54.97 56.97 1h2i s GLU 67 Cb -0.12 -3.18 0.82 0.00 0.10 0.00 0.00 34.13 31.74 1h2i s GLU 67 CO 0.02 0.11 1.66 0.78 0.02 0.00 0.00 175.26 177.86 1h2i h GLY 68 N 3.97 1.59 2.00 -1.39 0.00 -1.98 0.76 103.07 108.01 1h2i h GLY 68 Ca -0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1h2i h GLY 68 CO 0.68 -0.38 -0.11 1.12 0.00 0.00 0.00 176.54 177.84 1h2i h HIS 69 N 0.28 0.00 0.06 5.60 2.07 -1.99 0.12 115.15 121.29 1h2i h HIS 69 Ca 0.60 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.85 1h2i h HIS 69 Cb 1.26 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.26 1h2i h HIS 69 CO -0.17 0.11 -1.13 0.00 -3.07 0.00 0.00 177.93 173.67 1h2i h ARG 70 N 0.00 0.59 -0.71 5.12 2.47 -1.23 -2.52 114.38 118.10 1h2i h ARG 70 Ca -0.00 -0.71 -0.07 0.00 -1.26 0.00 0.00 59.98 57.93 1h2i h ARG 70 Cb 0.27 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 1h2i h ARG 70 CO 0.01 1.30 0.17 0.28 0.56 0.00 0.00 179.97 182.30 1h2i h VAL 71 N 0.29 1.26 -0.46 2.04 2.07 -0.94 0.71 116.25 121.22 1h2i h VAL 71 Ca -0.15 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1h2i h VAL 71 Cb 1.79 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1h2i h VAL 71 CO 0.21 0.38 0.28 0.40 0.02 0.00 0.00 177.57 178.86 1h2i h ILE 72 N 1.08 1.14 -0.10 4.57 2.04 -0.98 -0.63 117.51 124.63 1h2i h ILE 72 Ca 0.22 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 1h2i h ILE 72 Cb 0.38 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1h2i h ILE 72 CO 0.00 0.15 -0.41 0.78 0.00 0.00 0.00 178.15 178.67 1h2i h ASN 73 N 0.62 0.23 -0.43 1.72 2.35 -1.02 -0.44 115.58 118.61 1h2i h ASN 73 Ca 0.17 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1h2i h ASN 73 Cb -0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1h2i h ASN 73 CO -0.03 0.62 0.15 -0.07 -1.65 0.00 0.00 177.43 176.45 1h2i h LEU 74 N 0.19 0.61 -0.28 1.61 3.38 -0.48 -1.26 115.31 119.07 1h2i h LEU 74 Ca 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1h2i h LEU 74 Cb 0.81 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1h2i h LEU 74 CO 0.06 0.64 0.11 0.00 0.09 0.00 0.00 178.44 179.34 1h2i h ALA 75 N 1.00 0.37 -0.88 1.53 0.00 -0.64 0.63 119.26 121.27 1h2i h ALA 75 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 75 Cb 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1h2i h ALA 75 CO -0.01 -0.03 0.54 -0.91 0.00 0.00 0.00 179.25 178.84 1h2i h ASN 76 N 0.30 1.05 0.53 0.00 2.35 -0.94 0.57 115.58 119.45 1h2i h ASN 76 Ca 0.09 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.62 1h2i h ASN 76 Cb 0.19 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1h2i h ASN 76 CO -0.01 0.80 -0.71 -0.33 -1.65 0.00 0.00 177.43 175.53 1h2i h GLU 77 N 1.20 0.15 -0.04 0.81 4.39 -1.03 0.27 114.58 120.33 1h2i h GLU 77 Ca 0.32 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 1h2i h GLU 77 Cb -0.06 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1h2i h GLU 77 CO -0.06 0.79 -0.52 1.98 -1.16 0.00 0.00 179.01 180.04 1h2i h MET 78 N 0.10 0.42 0.00 2.33 4.05 -0.32 -3.38 114.93 118.13 1h2i h MET 78 Ca -0.02 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1h2i h MET 78 Cb 1.26 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 1h2i h MET 78 CO 0.10 1.06 -0.55 1.19 0.23 0.00 0.00 176.91 178.94 1h2i n PHE 79 N -4.26 0.00 0.00 1.39 3.72 0.14 -4.97 117.46 113.48 1h2i n PHE 79 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1h2i n PHE 79 Cb 0.62 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 1h2i n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h2i n GLY 80 N 1.28 1.06 0.33 1.37 0.00 0.94 -3.25 105.19 106.91 1h2i n GLY 80 Ca 0.02 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.62 1h2i n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1h2i h TYR 81 N 0.00 0.00 -0.31 1.61 -0.00 -1.89 -0.24 116.97 116.14 1h2i h TYR 81 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 1h2i h TYR 81 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 1h2i h TYR 81 CO 0.00 0.00 0.01 0.27 -0.00 0.00 0.00 178.16 178.44 1h2i n ASN 82 N -3.58 3.56 -0.12 0.10 2.04 -1.26 -4.52 115.26 111.47 1h2i n ASN 82 Ca -0.00 -3.22 0.07 0.00 -0.44 0.00 0.00 54.58 50.99 1h2i n ASN 82 Cb 0.26 -0.58 -0.05 0.00 -2.53 0.00 0.00 39.78 36.87 1h2i n ASN 82 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h2i n GLY 83 N -0.67 -0.25 3.16 4.83 0.00 -0.10 -4.72 105.19 107.43 1h2i n GLY 83 Ca 0.26 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -2.17 0.32 0.22 1.61 1.48 -1.26 -1.27 118.94 117.88 1h2i s TRP 84 Ca 0.08 -0.79 -0.17 0.00 -1.06 0.00 0.00 56.10 54.16 1h2i s TRP 84 Cb 0.11 -0.20 0.02 0.00 -1.16 0.00 0.00 33.47 32.25 1h2i s TRP 84 CO 0.52 -0.48 0.55 0.00 -4.06 0.00 0.00 176.95 173.47 1h2i s ALA 85 N -3.89 -0.83 -0.03 2.67 0.00 0.62 -4.96 121.76 115.34 1h2i s ALA 85 Ca 0.06 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1h2i s ALA 85 Cb 0.06 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.13 1h2i s ALA 85 CO -0.10 -0.86 0.49 -3.38 0.00 0.00 0.00 175.76 171.91 1h2i s HIS 86 N -3.92 -0.41 0.06 0.00 -3.43 -1.26 0.47 115.29 106.81 1h2i s HIS 86 Ca 0.13 0.68 -0.01 0.00 -0.80 0.00 0.00 55.06 55.06 1h2i s HIS 86 Cb -0.02 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 1h2i s HIS 86 CO 0.02 -0.50 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.69 1h2i s SER 87 N -1.26 0.60 -0.53 7.38 1.04 -0.30 -4.97 113.70 115.66 1h2i s SER 87 Ca -0.12 -1.01 -0.18 0.00 0.48 0.00 0.00 55.95 55.12 1h2i s SER 87 Cb -0.03 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.36 1h2i s SER 87 CO 0.07 -0.58 0.57 -0.63 0.98 0.00 0.00 173.24 173.65 1h2i s ILE 88 N -3.87 5.00 0.37 -1.02 1.01 -1.26 -0.94 121.20 120.48 1h2i s ILE 88 Ca 0.08 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.90 1h2i s ILE 88 Cb 0.07 -4.32 0.13 0.00 0.01 0.00 0.00 42.46 38.36 1h2i s ILE 88 CO -0.09 -0.85 1.87 0.71 0.00 0.00 0.00 174.94 176.58 1h2i h THR 89 N 5.86 1.21 -1.51 2.92 1.35 -1.11 -3.46 112.91 118.17 1h2i h THR 89 Ca -0.29 -0.93 0.10 0.00 -0.55 0.00 0.00 66.41 64.74 1h2i h THR 89 Cb 1.10 1.30 -0.24 0.00 -1.73 0.00 0.00 68.15 68.58 1h2i h THR 89 CO 0.99 0.29 0.58 -1.58 -0.25 0.00 0.00 175.52 175.55 1h2i s GLN 90 N -4.61 0.52 -0.05 4.72 0.74 -1.18 -4.99 119.66 114.81 1h2i s GLN 90 Ca -0.05 0.18 -0.00 0.00 0.05 0.00 0.00 55.36 55.54 1h2i s GLN 90 Cb 0.15 0.25 0.02 0.00 1.10 0.00 0.00 33.01 34.53 1h2i s GLN 90 CO 0.74 -0.15 -0.02 -1.14 -0.55 0.00 0.00 175.29 174.17 1h2i s GLN 91 N -0.93 0.68 -0.08 1.67 0.74 -1.26 -0.23 119.66 120.25 1h2i s GLN 91 Ca -0.00 0.00 0.03 0.00 0.05 0.00 0.00 55.36 55.44 1h2i s GLN 91 Cb -0.01 -0.85 0.01 0.00 1.10 0.00 0.00 33.01 33.26 1h2i s GLN 91 CO -0.00 -0.18 -0.15 1.21 -0.55 0.00 0.00 175.29 175.61 1h2i s ASN 92 N 1.36 2.14 -0.45 6.67 3.84 0.05 -5.00 114.94 123.56 1h2i s ASN 92 Ca -0.04 -0.37 -0.27 0.00 0.21 0.00 0.00 52.86 52.39 1h2i s ASN 92 Cb -0.13 -0.98 0.03 0.00 -0.55 0.00 0.00 41.25 39.61 1h2i s ASN 92 CO -0.02 0.06 0.99 -0.69 -2.79 0.00 0.00 177.10 174.64 1h2i s VAL 93 N 0.63 4.41 0.14 -5.21 1.01 -1.26 -1.61 120.40 118.52 1h2i s VAL 93 Ca -0.15 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1h2i s VAL 93 Cb -0.16 -4.47 -0.00 0.00 0.00 0.00 0.00 36.38 31.75 1h2i s VAL 93 CO 0.04 -0.83 1.56 0.44 0.00 0.00 0.00 175.10 176.31 1h2i h ASP 94 N 9.01 0.87 -4.25 3.32 3.45 -1.26 -3.47 116.42 124.08 1h2i h ASP 94 Ca -0.24 -0.35 0.13 0.00 0.43 0.00 0.00 57.03 57.01 1h2i h ASP 94 Cb 1.07 -0.24 -0.20 0.00 -0.56 0.00 0.00 39.33 39.41 1h2i h ASP 94 CO 1.05 1.01 0.60 0.72 -1.57 0.00 0.00 179.24 181.05 1h2i s PHE 95 N -4.85 -0.30 -0.30 4.55 -0.12 -1.18 -4.98 117.98 110.81 1h2i s PHE 95 Ca -0.12 0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 57.09 1h2i s PHE 95 Cb 0.11 0.49 0.10 0.00 -0.63 0.00 0.00 43.02 43.09 1h2i s PHE 95 CO 0.83 -0.36 0.11 0.08 -0.05 0.00 0.00 175.22 175.83 1h2i s VAL 96 N -2.01 0.49 -0.03 -2.49 1.01 -1.26 -2.57 120.40 113.55 1h2i s VAL 96 Ca 0.03 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1h2i s VAL 96 Cb -0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1h2i s VAL 96 CO -0.04 -0.68 -0.02 -1.81 0.00 0.00 0.00 175.10 172.56 1h2i s ASP 97 N 1.82 4.99 -0.32 3.32 1.01 0.10 -4.93 116.67 122.65 1h2i s ASP 97 Ca 0.09 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.33 1h2i s ASP 97 Cb -0.17 -1.29 0.06 0.00 1.01 0.00 0.00 42.92 42.53 1h2i s ASP 97 CO -0.29 0.31 0.04 -0.22 0.21 0.00 0.00 175.17 175.22 1h2i s LEU 98 N -1.31 4.18 0.00 1.23 2.96 -1.26 0.60 118.68 125.08 1h2i s LEU 98 Ca 0.17 -1.43 0.09 0.00 -0.22 0.00 0.00 54.13 52.74 1h2i s LEU 98 Cb -0.11 -1.73 0.17 0.00 0.50 0.00 0.00 46.19 45.02 1h2i s LEU 98 CO 0.07 -0.32 1.02 0.59 -1.32 0.00 0.00 176.35 176.39 1h2i n ASN 99 N 4.61 2.32 0.00 3.68 5.03 -0.82 -4.97 115.26 125.11 1h2i n ASN 99 Ca -0.11 -1.71 0.00 0.00 0.87 0.00 0.00 54.58 53.63 1h2i n ASN 99 Cb 0.43 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 1h2i n ASN 99 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1h2i n ASN 100 N 0.46 0.00 -0.01 6.41 3.02 -1.26 -4.90 115.26 118.97 1h2i n ASN 100 Ca 0.08 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.64 1h2i n ASN 100 Cb 0.32 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1h2i n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h2i n GLY 101 N 0.00 3.21 3.57 7.41 0.00 -1.26 -5.03 105.19 113.09 1h2i n GLY 101 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1h2i n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2i s LYS 102 N -1.28 2.05 -0.01 1.61 1.02 -1.26 -4.47 119.74 117.40 1h2i s LYS 102 Ca 0.05 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.67 1h2i s LYS 102 Cb 0.04 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1h2i s LYS 102 CO 0.00 0.40 0.01 -0.06 -0.92 0.00 0.00 175.35 174.79 1h2i s PHE 103 N -1.97 3.12 -0.19 3.18 0.40 0.47 -1.95 117.98 121.04 1h2i s PHE 103 Ca 0.27 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.72 1h2i s PHE 103 Cb -0.08 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.80 1h2i s PHE 103 CO 0.16 0.48 -0.11 0.71 0.70 0.00 0.00 175.22 177.16 1h2i s TYR 104 N -1.08 2.35 -0.05 0.36 1.51 0.20 -1.36 117.35 119.28 1h2i s TYR 104 Ca 0.19 -1.50 0.04 0.00 -1.01 0.00 0.00 57.07 54.79 1h2i s TYR 104 Cb -0.12 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1h2i s TYR 104 CO 0.10 -0.73 -0.16 0.08 -1.11 0.00 0.00 175.55 173.74 1h2i s VAL 105 N 1.42 1.35 -0.11 0.71 1.01 0.21 0.01 120.40 124.99 1h2i s VAL 105 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1h2i s VAL 105 Cb -0.15 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1h2i s VAL 105 CO -0.09 0.39 -0.14 -0.83 0.00 0.00 0.00 175.10 174.43 1h2i s GLY 106 N 0.21 1.01 0.00 4.51 0.00 -1.06 -1.85 107.32 110.13 1h2i s GLY 106 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1h2i s GLY 106 CO 0.03 0.28 -0.13 0.14 0.00 0.00 0.00 173.10 173.42 1h2i s VAL 107 N 1.04 0.99 0.18 1.40 1.01 -0.06 -0.67 120.40 124.29 1h2i s VAL 107 Ca -0.06 -0.66 0.11 0.00 0.00 0.00 0.00 61.98 61.37 1h2i s VAL 107 Cb -0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1h2i s VAL 107 CO -0.02 0.19 -0.24 0.00 0.00 0.00 0.00 175.10 175.03 1h2i s ALA 109 N -1.61 0.04 -0.30 0.00 0.00 -0.40 -0.77 121.76 118.73 1h2i s ALA 109 Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1h2i s ALA 109 Cb -0.08 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1h2i s ALA 109 CO 0.09 -0.04 0.06 -0.06 0.00 0.00 0.00 175.76 175.81 1h2i s PHE 110 N -0.39 3.16 -0.17 0.00 0.40 0.68 -0.50 117.98 121.16 1h2i s PHE 110 Ca -0.04 -1.15 -0.04 0.00 -0.60 0.00 0.00 56.93 55.10 1h2i s PHE 110 Cb -0.03 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1h2i s PHE 110 CO -0.00 -0.63 -0.03 0.08 0.70 0.00 0.00 175.22 175.34 1h2i s VAL 111 N 1.46 3.86 -0.25 -0.44 1.01 -0.77 -0.43 120.40 124.84 1h2i s VAL 111 Ca 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1h2i s VAL 111 Cb -0.18 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1h2i s VAL 111 CO 0.02 0.48 0.01 -0.60 0.00 0.00 0.00 175.10 175.00 1h2i s ARG 112 N 0.53 3.34 -0.04 2.72 3.52 -0.12 -2.11 118.95 126.79 1h2i s ARG 112 Ca -0.03 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 54.89 1h2i s ARG 112 Cb -0.14 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1h2i s ARG 112 CO 0.03 -0.27 0.04 0.54 -0.81 0.00 0.00 175.30 174.83 1h2i s VAL 113 N 1.50 4.52 0.04 7.11 0.11 -0.12 -1.15 120.40 132.42 1h2i s VAL 113 Ca 0.05 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1h2i s VAL 113 Cb -0.15 -3.00 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1h2i s VAL 113 CO -0.00 0.46 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.57 1h2i s GLN 114 N -1.37 0.52 0.34 1.54 0.74 0.18 -1.80 119.66 119.79 1h2i s GLN 114 Ca 0.18 -0.72 0.05 0.00 0.05 0.00 0.00 55.36 54.93 1h2i s GLN 114 Cb -0.12 -0.30 -0.01 0.00 1.10 0.00 0.00 33.01 33.69 1h2i s GLN 114 CO 0.09 0.05 0.48 -0.51 -0.55 0.00 0.00 175.29 174.85 1h2i s LEU 115 N -1.48 3.99 0.27 3.68 1.02 0.48 -0.27 118.68 126.36 1h2i s LEU 115 Ca -0.09 -0.05 0.18 0.00 0.02 0.00 0.00 54.13 54.19 1h2i s LEU 115 Cb -0.09 -2.86 0.98 0.00 0.02 0.00 0.00 46.19 44.24 1h2i s LEU 115 CO 0.00 -0.41 1.55 2.29 0.02 0.00 0.00 176.35 179.81 1h2i n LYS 116 N -1.67 0.12 -0.08 1.70 2.85 -0.40 -0.18 118.16 120.50 1h2i n LYS 116 Ca -0.02 0.61 -0.12 0.00 -1.05 0.00 0.00 58.31 57.74 1h2i n LYS 116 Cb 0.58 -1.88 0.01 0.00 -0.65 0.00 0.00 35.03 33.08 1h2i n LYS 116 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1h2i h ASP 117 N 0.00 0.88 0.00 -5.58 -0.00 -1.83 -0.44 116.42 109.46 1h2i h ASP 117 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 57.03 56.60 1h2i h ASP 117 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.08 1h2i h ASP 117 CO 0.00 1.19 0.00 0.61 -0.00 0.00 0.00 179.24 181.04 1h2i n GLY 118 N 0.17 2.02 3.77 -0.78 0.00 0.74 -4.52 105.19 106.59 1h2i n GLY 118 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.71 5.52 0.15 1.61 1.04 -1.26 -4.74 113.70 114.31 1h2i s SER 119 Ca 0.00 2.22 -0.19 0.00 0.48 0.00 0.00 55.95 58.46 1h2i s SER 119 Cb 0.00 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.58 1h2i s SER 119 CO 0.00 -1.36 0.49 -0.72 0.98 0.00 0.00 173.24 172.63 1h2i s TYR 120 N -1.78 -0.28 -0.04 5.02 -0.85 -1.26 -0.38 117.35 117.77 1h2i s TYR 120 Ca 0.73 -0.01 -0.06 0.00 -0.52 0.00 0.00 57.07 57.21 1h2i s TYR 120 Cb -0.25 0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.49 1h2i s TYR 120 CO 0.30 -0.81 0.16 -1.01 -1.52 0.00 0.00 175.55 172.67 1h2i s HIS 121 N -3.81 -0.12 0.02 -3.49 3.76 -0.75 -5.01 115.29 105.90 1h2i s HIS 121 Ca 0.04 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.28 1h2i s HIS 121 Cb 0.00 0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.71 1h2i s HIS 121 CO -0.10 -0.15 -0.14 -2.00 -0.85 0.00 0.00 174.74 171.51 1h2i s GLU 122 N -0.33 0.95 0.31 1.40 2.12 -1.26 -0.95 118.70 120.94 1h2i s GLU 122 Ca -0.04 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 1h2i s GLU 122 Cb -0.03 -0.95 0.01 0.00 0.26 0.00 0.00 34.13 33.42 1h2i s GLU 122 CO 0.01 0.24 0.52 0.34 -0.54 0.00 0.00 175.26 175.82 1h2i s ASP 123 N -0.90 0.35 0.08 -1.70 -1.08 -0.90 -4.90 116.67 107.62 1h2i s ASP 123 Ca 0.02 -1.20 0.02 0.00 -0.52 0.00 0.00 52.55 50.87 1h2i s ASP 123 Cb -0.07 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 42.00 1h2i s ASP 123 CO 0.01 -1.28 0.14 0.68 0.52 0.00 0.00 175.17 175.24 1h2i s VAL 124 N -3.37 4.90 0.18 1.11 -7.23 -1.26 -1.85 120.40 112.88 1h2i s VAL 124 Ca 0.25 -0.63 0.07 0.00 -1.81 0.00 0.00 61.98 59.85 1h2i s VAL 124 Cb -0.01 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 1h2i s VAL 124 CO 0.14 0.11 -0.14 -0.83 -0.31 0.00 0.00 175.10 174.07 1h2i s GLY 125 N -2.51 1.28 0.05 2.32 0.00 0.34 -4.48 107.32 104.32 1h2i s GLY 125 Ca 0.32 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1h2i s GLY 125 CO 0.25 -1.64 -0.11 -0.47 0.00 0.00 0.00 173.10 171.12 1h2i s TYR 126 N -2.87 0.97 -0.03 1.90 5.04 -1.26 -1.27 117.35 119.83 1h2i s TYR 126 Ca 0.19 -0.42 0.03 0.00 -2.44 0.00 0.00 57.07 54.43 1h2i s TYR 126 Cb -0.01 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.74 1h2i s TYR 126 CO 0.05 -0.00 -0.12 0.20 -1.34 0.00 0.00 175.55 174.34 1h2i s GLY 127 N -1.40 0.68 0.03 8.97 0.00 0.22 -3.90 107.32 111.92 1h2i s GLY 127 Ca -0.04 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.29 1h2i s GLY 127 CO 0.01 -0.15 -0.16 0.14 0.00 0.00 0.00 173.10 172.94 1h2i s VAL 128 N 0.19 1.27 -0.18 1.40 1.01 -1.26 -0.88 120.40 121.95 1h2i s VAL 128 Ca -0.04 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1h2i s VAL 128 Cb -0.10 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.23 1h2i s VAL 128 CO 0.01 0.10 0.19 -0.55 0.00 0.00 0.00 175.10 174.85 1h2i s SER 129 N -1.05 1.49 -0.10 3.32 0.15 -0.77 -4.53 113.70 112.20 1h2i s SER 129 Ca 0.04 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1h2i s SER 129 Cb -0.08 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 1h2i s SER 129 CO 0.01 -0.32 -0.17 -1.61 1.20 0.00 0.00 173.24 172.35 1h2i s GLU 130 N 2.29 2.30 0.00 5.44 2.02 -1.26 -0.62 118.70 128.86 1h2i s GLU 130 Ca 0.05 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1h2i s GLU 130 Cb -0.15 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1h2i s GLU 130 CO -0.11 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1h2i n GLY 131 N 3.96 3.31 3.74 -1.39 0.00 -0.46 -5.01 105.19 109.34 1h2i n GLY 131 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 3.10 0.00 0.99 1.43 -1.26 -4.57 118.68 118.38 1h2i s LEU 132 Ca 0.00 1.99 0.22 0.00 -1.03 0.00 0.00 54.13 55.31 1h2i s LEU 132 Cb 0.00 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.67 1h2i s LEU 132 CO 0.00 -2.19 1.06 0.29 0.23 0.00 0.00 176.35 175.74 1h2i n LYS 133 N -3.34 0.08 -3.27 1.70 5.02 -1.26 -0.40 118.16 116.69 1h2i n LYS 133 Ca 0.10 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 1h2i n LYS 133 Cb 0.52 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -2.96 6.42 0.02 4.39 0.15 -1.26 -4.83 113.70 115.62 1h2i s SER 134 Ca 0.10 0.50 -0.25 0.00 0.70 0.00 0.00 55.95 57.00 1h2i s SER 134 Cb 0.17 -2.27 -0.18 0.00 -1.71 0.00 0.00 66.02 62.03 1h2i s SER 134 CO 0.80 -0.24 1.41 0.50 1.20 0.00 0.00 173.24 176.90 1h2i h LYS 135 N 7.94 -0.09 -0.20 5.44 3.64 -1.98 -1.82 116.57 129.50 1h2i h LYS 135 Ca -0.30 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1h2i h LYS 135 Cb 1.15 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1h2i h LYS 135 CO 0.71 0.22 -0.19 0.00 -2.27 0.00 0.00 179.45 177.91 1h2i h ALA 136 N 0.50 -0.08 -0.24 5.00 0.00 -1.99 0.95 119.26 123.40 1h2i h ALA 136 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 136 Cb 0.35 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1h2i h ALA 136 CO 0.02 -0.63 0.11 -0.07 0.00 0.00 0.00 179.25 178.68 1h2i h LEU 137 N -0.21 0.29 -0.01 0.00 -0.00 -1.96 0.07 115.31 113.49 1h2i h LEU 137 Ca 0.12 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1h2i h LEU 137 Cb 0.40 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1h2i h LEU 137 CO -0.33 0.26 -0.01 0.28 -0.00 0.00 0.00 178.44 178.65 1h2i h SER 138 N 0.34 0.01 -0.59 -0.43 0.02 -0.34 -2.00 113.55 110.56 1h2i h SER 138 Ca 0.09 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1h2i h SER 138 Cb 0.04 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1h2i h SER 138 CO -0.01 0.48 0.35 -0.07 -1.14 0.00 0.00 176.83 176.44 1h2i h LEU 139 N -0.46 0.72 -0.27 5.07 -0.00 -0.50 -1.91 115.31 117.95 1h2i h LEU 139 Ca 0.00 -0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1h2i h LEU 139 Cb 0.48 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 1h2i h LEU 139 CO 0.00 0.57 0.10 -0.08 -0.00 0.00 0.00 178.44 179.03 1h2i h GLU 140 N 0.80 0.22 -0.16 1.13 4.81 -0.99 0.13 114.58 120.51 1h2i h GLU 140 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1h2i h GLU 140 Cb -0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1h2i h GLU 140 CO -0.04 0.14 0.07 -0.22 -0.73 0.00 0.00 179.01 178.24 1h2i h LYS 141 N 0.22 0.23 -0.37 1.92 3.64 -1.19 -2.25 116.57 118.78 1h2i h LYS 141 Ca 0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1h2i h LYS 141 Cb 0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1h2i h LYS 141 CO -0.12 0.28 0.11 0.00 -2.27 0.00 0.00 179.45 177.45 1h2i h ALA 142 N 0.94 0.49 -0.53 5.00 0.00 -1.03 -1.01 119.26 123.12 1h2i h ALA 142 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1h2i h ALA 142 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1h2i h ALA 142 CO -0.01 0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.50 1h2i h ARG 143 N 0.45 0.86 -0.51 0.00 3.08 -0.76 -1.50 114.38 116.01 1h2i h ARG 143 Ca 0.12 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1h2i h ARG 143 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1h2i h ARG 143 CO -0.00 0.82 0.07 0.87 -1.07 0.00 0.00 179.97 180.65 1h2i h LYS 144 N 0.75 0.85 0.00 0.04 1.57 -1.26 -2.71 116.57 115.82 1h2i h LYS 144 Ca 0.17 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1h2i h LYS 144 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1h2i h LYS 144 CO 0.00 0.85 -0.59 0.93 -0.57 0.00 0.00 179.45 180.07 1h2i h GLU 145 N 0.73 0.00 -0.58 3.15 5.08 -1.09 -2.29 114.58 119.59 1h2i h GLU 145 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1h2i h GLU 145 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1h2i h GLU 145 CO 0.01 0.59 0.31 0.00 -1.00 0.00 0.00 179.01 178.92 1h2i h ALA 146 N 1.41 0.74 -0.08 3.43 0.00 -1.08 0.45 119.26 124.13 1h2i h ALA 146 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1h2i h ALA 146 Cb 1.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1h2i h ALA 146 CO 0.08 0.27 0.02 0.28 0.00 0.00 0.00 179.25 179.89 1h2i h VAL 147 N 0.78 1.19 -0.76 0.00 2.07 -1.15 -0.92 116.25 117.46 1h2i h VAL 147 Ca 0.20 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1h2i h VAL 147 Cb 0.06 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1h2i h VAL 147 CO -0.03 0.17 0.36 0.74 0.02 0.00 0.00 177.57 178.82 1h2i h THR 148 N -0.09 1.24 -0.58 2.57 2.02 -1.27 0.16 112.91 116.97 1h2i h THR 148 Ca 0.02 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 1h2i h THR 148 Cb 0.25 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1h2i h THR 148 CO 0.00 0.29 0.35 -0.78 0.37 0.00 0.00 175.52 175.75 1h2i h ASP 149 N 1.07 0.69 -0.60 4.18 -0.00 -0.82 0.41 116.42 121.35 1h2i h ASP 149 Ca 0.26 -0.06 -0.07 0.00 -0.00 0.00 0.00 57.03 57.16 1h2i h ASP 149 Cb 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.26 1h2i h ASP 149 CO -0.03 0.55 0.09 1.23 -0.00 0.00 0.00 179.24 181.07 1h2i h GLY 150 N 0.78 1.08 0.99 -0.78 0.00 -0.53 -0.26 103.07 104.35 1h2i h GLY 150 Ca 0.21 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1h2i h GLY 150 CO -0.04 0.68 0.29 -2.00 0.00 0.00 0.00 176.54 175.47 1h2i h LEU 151 N 0.91 0.72 -0.39 3.11 5.85 -0.43 0.48 115.31 125.55 1h2i h LEU 151 Ca 0.18 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1h2i h LEU 151 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1h2i h LEU 151 CO 0.01 0.62 0.08 0.11 -0.34 0.00 0.00 178.44 178.93 1h2i h LYS 152 N 0.76 0.63 -0.48 1.25 1.57 -0.59 -1.59 116.57 118.12 1h2i h LYS 152 Ca 0.20 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1h2i h LYS 152 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1h2i h LYS 152 CO -0.03 0.67 -0.12 0.00 -0.57 0.00 0.00 179.45 179.41 1h2i h ARG 153 N 0.49 0.89 -0.41 3.15 3.08 -0.77 -2.14 114.38 118.66 1h2i h ARG 153 Ca 0.12 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.87 1h2i h ARG 153 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1h2i h ARG 153 CO 0.00 0.95 0.26 0.00 -1.07 0.00 0.00 179.97 180.12 1h2i h ALA 154 N 1.07 0.52 -0.71 0.04 0.00 -0.73 -2.87 119.26 116.60 1h2i h ALA 154 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1h2i h ALA 154 Cb 0.64 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1h2i h ALA 154 CO 0.04 -0.05 0.47 -0.07 0.00 0.00 0.00 179.25 179.64 1h2i h LEU 155 N 0.53 0.80 -1.49 0.00 4.07 -1.06 -2.55 115.31 115.60 1h2i h LEU 155 Ca 0.16 -0.02 0.22 0.00 0.08 0.00 0.00 57.88 58.32 1h2i h LEU 155 Cb -0.03 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 41.44 1h2i h LEU 155 CO -0.05 0.58 0.62 0.03 -1.08 0.00 0.00 178.44 178.53 1h2i h ARG 156 N 0.94 0.39 -0.18 1.13 3.08 -1.15 -0.82 114.38 117.77 1h2i h ARG 156 Ca 0.26 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.34 1h2i h ARG 156 Cb -0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1h2i h ARG 156 CO -0.06 0.26 0.32 0.77 -1.07 0.00 0.00 179.97 180.19 1h2i h SER 157 N 0.40 0.00 1.66 7.04 0.02 -1.55 -0.75 113.55 120.38 1h2i h SER 157 Ca 0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.43 1h2i h SER 157 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1h2i h SER 157 CO -0.19 0.00 -0.08 -0.26 -1.14 0.00 0.00 176.83 175.16 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.35 -3.49 116.94 114.55 1h2i h PHE 158 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1h2i h PHE 158 Cb 0.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.28 1h2i h PHE 158 CO 0.00 0.08 0.00 0.41 -1.61 0.00 0.00 178.31 177.19 1h2i n GLY 159 N 0.83 0.68 0.27 -1.45 0.00 -0.29 -4.94 105.19 100.29 1h2i n GLY 159 Ca 0.03 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 1h2i n GLY 159 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1h2i h ASN 160 N 0.00 0.67 -0.00 1.61 2.35 -1.45 -1.48 115.58 117.28 1h2i h ASN 160 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1h2i h ASN 160 Cb 0.00 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1h2i h ASN 160 CO 0.00 0.45 0.00 0.00 -1.65 0.00 0.00 177.43 176.23 1h2i h ALA 161 N 1.31 1.11 -0.55 -0.83 0.00 0.40 -0.29 119.26 120.42 1h2i h ALA 161 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1h2i h ALA 161 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1h2i h ALA 161 CO -0.13 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1h2i n LEU 162 N -3.24 4.11 0.00 0.00 7.99 -0.64 -4.92 117.00 120.30 1h2i n LEU 162 Ca -0.03 -2.33 0.00 0.00 -0.01 0.00 0.00 56.01 53.64 1h2i n LEU 162 Cb 0.08 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 1h2i n LEU 162 CO 0.21 0.81 0.00 0.61 -1.51 0.00 0.00 177.39 177.52 1h2i n GLY 163 N 0.89 1.17 0.30 -0.72 0.00 -0.12 -3.87 105.19 102.84 1h2i n GLY 163 Ca 0.22 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.44 1h2i n GLY 163 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1h2i h ASN 164 N 0.00 0.00 -0.20 1.61 -0.00 -1.31 -2.47 115.58 113.21 1h2i h ASN 164 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.11 1h2i h ASN 164 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.33 1h2i h ASN 164 CO 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 177.43 176.80 1h2i n ILE 166 N -4.03 0.00 -0.04 0.00 0.00 -0.93 0.12 119.36 114.47 1h2i n ILE 166 Ca -0.06 0.86 0.06 0.00 0.00 0.00 0.00 62.75 63.60 1h2i n ILE 166 Cb 0.67 -1.45 0.13 0.00 0.00 0.00 0.00 39.64 38.99 1h2i n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h2i n LEU 167 N -3.00 2.72 -4.56 9.51 -0.00 -1.26 -4.90 117.00 115.52 1h2i n LEU 167 Ca 0.24 -1.79 -0.42 0.00 -0.00 0.00 0.00 56.01 54.04 1h2i n LEU 167 Cb 1.15 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 44.35 1h2i n LEU 167 CO 0.24 0.66 1.03 -0.62 -0.00 0.00 0.00 177.39 178.70 1h2i s ASP 168 N -0.99 6.38 0.47 1.45 3.68 0.32 -4.93 116.67 123.05 1h2i s ASP 168 Ca 0.21 -0.09 0.24 0.00 2.13 0.00 0.00 52.55 55.05 1h2i s ASP 168 Cb 0.12 -2.53 1.27 0.00 -1.45 0.00 0.00 42.92 40.32 1h2i s ASP 168 CO 0.16 -1.49 1.87 0.11 0.13 0.00 0.00 175.17 175.94 1h2i h LYS 169 N 9.58 0.21 -0.06 4.34 1.57 -1.90 -0.00 116.57 130.30 1h2i h LYS 169 Ca -0.26 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1h2i h LYS 169 CO 1.18 0.14 -0.54 -0.44 -0.57 0.00 0.00 179.45 179.23 1h2i h ASP 170 N 0.22 0.19 -0.09 0.86 3.32 -1.96 -0.58 116.42 118.38 1h2i h ASP 170 Ca 0.45 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 1h2i h ASP 170 Cb 1.43 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1h2i h ASP 170 CO -0.11 0.69 -0.26 0.22 -1.72 0.00 0.00 179.24 178.06 1h2i h TYR 171 N 0.13 0.43 -0.39 4.55 3.20 -1.38 -2.11 116.97 121.40 1h2i h TYR 171 Ca 0.00 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.72 1h2i h TYR 171 Cb 0.99 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1h2i h TYR 171 CO 0.01 0.88 0.22 -0.07 -1.64 0.00 0.00 178.16 177.57 1h2i h LEU 172 N -0.14 0.36 -0.17 2.82 3.38 -1.11 -1.11 115.31 119.33 1h2i h LEU 172 Ca -0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1h2i h LEU 172 Cb 0.89 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1h2i h LEU 172 CO 0.06 0.26 -0.10 -0.09 0.09 0.00 0.00 178.44 178.66 1h2i h ARG 173 N 0.46 -0.08 0.00 1.13 2.43 -1.09 -0.98 114.38 116.24 1h2i h ARG 173 Ca 0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1h2i h ARG 173 Cb 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1h2i h ARG 173 CO -0.08 -0.06 0.00 0.45 -1.51 0.00 0.00 179.97 178.78 1h2i n SER 174 N -5.25 0.40 0.11 -3.80 2.88 -0.80 -2.14 113.62 105.02 1h2i n SER 174 Ca -0.03 0.59 -0.20 0.00 -1.33 0.00 0.00 58.87 57.91 1h2i n SER 174 Cb 0.17 -0.68 -0.15 0.00 -0.75 0.00 0.00 64.21 62.80 1h2i n SER 174 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1h2i h LEU 175 N 0.00 0.60 -1.44 2.46 3.38 0.09 -3.25 115.31 117.14 1h2i h LEU 175 Ca 0.00 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 1h2i h LEU 175 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1h2i h LEU 175 CO 0.00 1.53 -0.04 0.78 0.09 0.00 0.00 178.44 180.80 1h2i h ASN 176 N 0.10 0.29 0.00 -0.43 2.35 -0.85 -2.32 115.58 114.72 1h2i h ASN 176 Ca -0.21 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1h2i h ASN 176 Cb 2.06 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.36 1h2i h ASN 176 CO 0.23 0.38 0.00 0.29 -1.65 0.00 0.00 177.43 176.68 1h2i n LYS 177 N -4.32 0.84 -4.25 0.81 5.02 -1.16 -4.76 118.16 110.33 1h2i n LYS 177 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1h2i n LYS 177 Cb 0.22 -1.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.83 1h2i n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h2i s LEU 178 N 0.00 2.31 1.00 -0.35 1.43 -0.88 -5.08 118.68 117.11 1h2i s LEU 178 Ca 0.00 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 1h2i s LEU 178 Cb 0.00 -0.76 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 1h2i s LEU 178 CO 0.00 0.01 -0.51 -0.81 0.23 0.00 0.00 176.35 175.26 1h2i n PRO 179 N 1.07 -0.24 0.00 1.29 -0.04 -1.26 -4.94 135.00 130.87 1h2i n PRO 179 Ca -0.19 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1h2i n PRO 179 Cb 0.54 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1h2i n PRO 179 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1h2i n ARG 180 N 0.89 2.70 -3.26 0.54 1.85 -1.26 -5.02 116.66 113.09 1h2i n ARG 180 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.74 1h2i n ARG 180 Cb 0.59 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.95 1h2i n ARG 180 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1h2i s GLN 181 N 0.00 0.76 0.25 2.89 2.00 -1.26 -4.99 119.66 119.31 1h2i s GLN 181 Ca 0.00 -0.84 -0.30 0.00 -2.00 0.00 0.00 55.36 52.22 1h2i s GLN 181 Cb 0.00 -0.51 -0.10 0.00 0.80 0.00 0.00 33.01 33.21 1h2i s GLN 181 CO 0.00 -1.23 1.40 -0.48 -0.50 0.00 0.00 175.29 174.48 1h2i s LEU 182 N 1.35 4.40 -0.23 3.68 2.34 -1.26 -4.95 118.68 124.00 1h2i s LEU 182 Ca 0.19 2.63 -0.29 0.00 0.06 0.00 0.00 54.13 56.73 1h2i s LEU 182 Cb -0.10 -3.63 -0.03 0.00 -0.56 0.00 0.00 46.19 41.88 1h2i s LEU 182 CO -0.05 -0.65 1.73 -2.16 -1.06 0.00 0.00 176.35 174.16 1h2i s PRO 183 N -0.56 3.65 0.23 1.48 0.04 -1.26 -4.98 135.00 133.60 1h2i s PRO 183 Ca 0.57 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 1h2i s PRO 183 Cb -0.41 -4.11 -0.08 0.00 0.04 0.00 0.00 34.50 29.94 1h2i s PRO 183 CO 0.44 -1.48 0.62 -1.17 0.04 0.00 0.00 177.00 175.45 1h2i s LEU 184 N 5.82 4.20 0.31 -3.56 0.20 -1.26 -5.08 118.68 119.31 1h2i s LEU 184 Ca 0.77 1.12 -0.28 0.00 0.69 0.00 0.00 54.13 56.42 1h2i s LEU 184 Cb -0.26 -3.68 -0.09 0.00 -0.43 0.00 0.00 46.19 41.73 1h2i s LEU 184 CO 0.32 -0.05 1.13 -1.61 -0.29 0.00 0.00 176.35 175.84 1h2i s GLU 185 N -2.55 4.48 -0.11 1.98 0.41 -1.26 -5.05 118.70 116.60 1h2i s GLU 185 Ca 0.46 1.83 -0.05 0.00 -0.41 0.00 0.00 54.97 56.81 1h2i s GLU 185 Cb -0.12 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 1h2i s GLU 185 CO 0.20 0.06 0.07 0.08 -0.49 0.00 0.00 175.26 175.17 1h2i s VAL 186 N -1.24 4.88 -0.40 2.63 1.01 -1.26 -5.07 120.40 120.94 1h2i s VAL 186 Ca 0.48 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 1h2i s VAL 186 Cb -0.32 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1h2i s VAL 186 CO 0.41 0.60 0.63 -0.62 0.00 0.00 0.00 175.10 176.12 1h2i s ASP 187 N -0.82 6.36 -0.20 3.32 3.68 -1.26 -4.90 116.67 122.85 1h2i s ASP 187 Ca 0.13 -0.15 0.07 0.00 2.13 0.00 0.00 52.55 54.73 1h2i s ASP 187 Cb -0.12 -2.32 0.51 0.00 -1.45 0.00 0.00 42.92 39.54 1h2i s ASP 187 CO 0.03 -0.70 1.40 0.18 0.13 0.00 0.00 175.17 176.21 1h2i n LEU 188 N 6.16 4.50 0.06 -1.34 4.77 -1.26 -4.47 117.00 125.42 1h2i n LEU 188 Ca -0.02 -2.31 -0.02 0.00 -0.03 0.00 0.00 56.01 53.63 1h2i n LEU 188 Cb 0.48 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1h2i n LEU 188 CO 0.52 0.60 0.41 0.74 -1.33 0.00 0.00 177.39 178.33 1h2i h THR 189 N 2.02 0.00 0.00 -5.08 2.02 -2.04 -3.01 112.91 106.82 1h2i h THR 189 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1h2i h THR 189 Cb 1.69 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1h2i h THR 189 CO 0.44 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.62 1h2i n LYS 190 N -2.48 0.85 -1.33 6.66 5.02 -1.26 -4.91 118.16 120.70 1h2i n LYS 190 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1h2i n LYS 190 Cb 0.06 -1.03 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i n ALA 191 N -0.53 -2.74 -2.32 7.82 0.00 -1.14 -4.85 120.51 116.75 1h2i n ALA 191 Ca 0.01 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1h2i n ALA 191 Cb 0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1h2i n ALA 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1h2i s LYS 192 N -1.11 4.32 -0.00 0.00 2.20 -1.26 -4.92 119.74 118.97 1h2i s LYS 192 Ca 0.60 1.85 0.07 0.00 -0.36 0.00 0.00 55.97 58.13 1h2i s LYS 192 Cb -0.63 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.07 1h2i s LYS 192 CO 0.62 -0.49 0.23 0.54 -0.36 0.00 0.00 175.35 175.89 1h2i n ARG 193 N 5.08 2.76 -4.17 4.03 1.74 -1.26 -5.05 116.66 119.80 1h2i n ARG 193 Ca 0.12 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1h2i n ARG 193 Cb 0.45 -0.97 -0.10 0.00 -1.02 0.00 0.00 32.46 30.82 1h2i n ARG 193 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h2i s GLN 194 N -2.01 0.85 0.10 5.56 -0.21 -1.26 -5.08 119.66 117.61 1h2i s GLN 194 Ca 0.00 -1.36 -0.16 0.00 0.02 0.00 0.00 55.36 53.86 1h2i s GLN 194 Cb 0.05 -0.09 -0.07 0.00 1.00 0.00 0.00 33.01 33.90 1h2i s GLN 194 CO 0.28 -0.08 1.47 -0.44 -2.12 0.00 0.00 175.29 174.40 1h2i h ASP 195 N 2.94 0.66 -1.69 5.90 3.45 -2.05 -3.45 116.42 122.19 1h2i h ASP 195 Ca -0.35 -0.40 -0.68 0.00 0.43 0.00 0.00 57.03 56.02 1h2i h ASP 195 Cb 1.17 -0.18 0.05 0.00 -0.56 0.00 0.00 39.33 39.81 1h2i h ASP 195 CO 0.64 0.92 0.53 0.18 -1.57 0.00 0.00 179.24 179.93 1h2i n LEU 196 N -4.39 1.80 -3.73 1.55 7.99 -1.26 -4.97 117.00 113.99 1h2i n LEU 196 Ca -0.03 1.11 -0.28 0.00 -0.01 0.00 0.00 56.01 56.80 1h2i n LEU 196 Cb 0.37 -1.19 -0.11 0.00 -0.11 0.00 0.00 43.42 42.38 1h2i n LEU 196 CO 0.42 -0.94 -0.13 -1.61 -1.51 0.00 0.00 177.39 173.63 1h2i s GLU 197 N 0.91 1.95 0.28 3.23 0.41 -1.26 -5.00 118.70 119.21 1h2i s GLU 197 Ca 0.86 -2.94 -0.02 0.00 -0.41 0.00 0.00 54.97 52.46 1h2i s GLU 197 Cb -0.96 -2.76 0.61 0.00 -1.78 0.00 0.00 34.13 29.24 1h2i s GLU 197 CO 0.49 -1.32 1.62 -1.35 -0.49 0.00 0.00 175.26 174.21 1h2i h PRO 198 N 5.48 0.10 -0.03 0.39 0.11 -1.98 0.29 132.00 136.36 1h2i h PRO 198 Ca 0.18 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.12 1h2i h PRO 198 Cb 0.81 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1h2i h PRO 198 CO 0.60 0.06 -0.73 0.66 -0.21 0.00 0.00 178.00 178.38 1h2i h SER 199 N 0.10 0.24 -0.11 -2.05 4.64 -1.99 -0.55 113.55 113.82 1h2i h SER 199 Ca 0.51 -0.16 -0.19 0.00 -0.47 0.00 0.00 61.79 61.48 1h2i h SER 199 Cb 0.98 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1h2i h SER 199 CO -0.75 0.89 -0.63 0.58 -0.87 0.00 0.00 176.83 176.04 1h2i h VAL 200 N 0.13 1.30 -0.18 0.95 2.07 -1.64 -2.22 116.25 116.65 1h2i h VAL 200 Ca -0.02 -1.86 -0.08 0.00 0.82 0.00 0.00 66.70 65.56 1h2i h VAL 200 Cb 1.29 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1h2i h VAL 200 CO 0.11 0.59 -0.24 -0.08 0.02 0.00 0.00 177.57 177.97 1h2i h GLU 201 N 0.54 0.33 0.97 1.57 4.57 -0.23 0.23 114.58 122.55 1h2i h GLU 201 Ca -0.01 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 1h2i h GLU 201 Cb 1.23 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1h2i h GLU 201 CO 0.13 0.56 -0.47 0.93 -1.18 0.00 0.00 179.01 178.98 1h2i h GLU 202 N 0.29 -1.26 -0.67 1.92 5.08 -0.93 0.58 114.58 119.59 1h2i h GLU 202 Ca 0.05 0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1h2i h GLU 202 Cb 0.59 0.29 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1h2i h GLU 202 CO 0.04 -0.84 0.33 0.00 -1.00 0.00 0.00 179.01 177.54 1h2i h ALA 203 N -1.34 0.91 -0.65 3.43 0.00 -1.29 0.14 119.26 120.46 1h2i h ALA 203 Ca -0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1h2i h ALA 203 Cb 1.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1h2i h ALA 203 CO 0.22 -0.06 0.32 -0.09 0.00 0.00 0.00 179.25 179.65 1h2i h ARG 204 N 0.58 0.93 -0.76 0.00 2.43 -0.43 -2.35 114.38 114.77 1h2i h ARG 204 Ca 0.32 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1h2i h ARG 204 Cb 0.32 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1h2i h ARG 204 CO -0.25 0.73 0.46 -0.92 -1.51 0.00 0.00 179.97 178.48 1h2i h TYR 205 N 0.89 1.01 0.00 2.20 3.20 0.44 -2.87 116.97 121.84 1h2i h TYR 205 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1h2i h TYR 205 Cb 0.10 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1h2i h TYR 205 CO 0.00 0.68 0.00 0.09 -1.64 0.00 0.00 178.16 177.29 1h2i n ASN 206 N -4.49 0.00 0.09 -2.11 3.02 -0.09 -3.32 115.26 108.35 1h2i n ASN 206 Ca 0.07 -0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.73 1h2i n ASN 206 Cb 0.06 -0.27 0.35 0.00 -0.61 0.00 0.00 39.78 39.31 1h2i n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h2i n SER 207 N -1.27 0.73 -0.61 6.41 3.41 -1.08 -4.06 113.62 117.15 1h2i n SER 207 Ca 0.09 0.43 0.02 0.00 -0.26 0.00 0.00 58.87 59.15 1h2i n SER 207 Cb 0.14 -0.51 0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88