#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2i n PHE 26 N -2.65 2.53 0.00 0.00 7.35 -1.26 -1.69 117.46 121.74 1h2i n PHE 26 Ca 0.05 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1h2i n PHE 26 Cb 0.18 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.47 1h2i n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h2i n GLY 27 N 2.30 1.46 0.00 7.13 0.00 -0.29 -4.85 105.19 110.94 1h2i n GLY 27 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.79 -1.94 1.61 6.02 -0.68 -3.96 117.38 118.21 1h2i n GLN 28 Ca 0.00 -1.19 -0.30 0.00 -0.01 0.00 0.00 57.00 55.51 1h2i n GLN 28 Cb 0.00 -0.99 0.05 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 -5.34 0.79 0.27 0.00 0.74 -1.26 -4.21 119.66 110.65 1h2i s GLN 30 Ca 0.58 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 55.45 1h2i s GLN 30 Cb -0.11 -0.76 -0.09 0.00 1.10 0.00 0.00 33.01 33.14 1h2i s GLN 30 CO 0.51 0.09 1.17 0.71 -0.55 0.00 0.00 175.29 177.21 1h2i s TYR 31 N 0.22 3.43 0.56 1.67 1.51 -1.26 -5.00 117.35 118.48 1h2i s TYR 31 Ca -0.03 1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 57.44 1h2i s TYR 31 Cb -0.08 -3.40 -0.05 0.00 -0.11 0.00 0.00 41.96 38.32 1h2i s TYR 31 CO 0.00 -0.98 1.05 0.95 -1.11 0.00 0.00 175.55 175.46 1h2i s THR 32 N -0.91 3.84 0.30 -0.71 -4.23 -1.26 -4.80 115.64 107.87 1h2i s THR 32 Ca 0.47 0.93 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 1h2i s THR 32 Cb -0.34 -3.42 0.30 0.00 1.34 0.00 0.00 72.50 70.38 1h2i s THR 32 CO 0.43 -0.45 1.82 0.00 -0.54 0.00 0.00 174.62 175.88 1h2i h ALA 33 N 0.73 1.63 -0.04 3.99 0.00 -1.99 -0.29 119.26 123.28 1h2i h ALA 33 Ca -0.47 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1h2i h ALA 33 Cb 1.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h2i h ALA 33 CO 0.58 0.09 0.01 1.49 0.00 0.00 0.00 179.25 181.42 1h2i h GLU 34 N 0.87 0.07 -0.48 0.00 4.81 -2.00 -0.28 114.58 117.58 1h2i h GLU 34 Ca 0.51 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1h2i h GLU 34 Cb 0.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1h2i h GLU 34 CO -0.29 0.26 -0.17 1.49 -0.73 0.00 0.00 179.01 179.57 1h2i h GLU 35 N -0.13 0.93 0.03 1.92 4.81 -1.81 -1.75 114.58 118.57 1h2i h GLU 35 Ca 0.01 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1h2i h GLU 35 Cb 0.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1h2i h GLU 35 CO -0.00 1.02 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.29 1h2i h TYR 36 N 0.82 -0.24 -0.76 0.92 3.20 -0.95 -1.14 116.97 118.82 1h2i h TYR 36 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1h2i h TYR 36 Cb 0.71 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1h2i h TYR 36 CO 0.04 -0.14 0.45 0.37 -1.64 0.00 0.00 178.16 177.24 1h2i h GLN 37 N -0.18 1.04 -0.28 1.82 4.15 -0.92 -0.20 115.11 120.54 1h2i h GLN 37 Ca 0.03 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1h2i h GLN 37 Cb 0.20 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1h2i h GLN 37 CO -0.07 0.74 0.17 0.00 -1.93 0.00 0.00 178.83 177.73 1h2i h ALA 38 N 1.24 0.36 -0.31 3.38 0.00 -1.03 -2.34 119.26 120.56 1h2i h ALA 38 Ca 0.27 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1h2i h ALA 38 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1h2i h ALA 38 CO -0.05 -0.14 -0.40 0.82 0.00 0.00 0.00 179.25 179.48 1h2i h ILE 39 N 0.35 1.29 -0.49 0.00 2.04 -0.94 -0.61 117.51 119.15 1h2i h ILE 39 Ca 0.10 -1.58 0.06 0.00 1.00 0.00 0.00 64.86 64.44 1h2i h ILE 39 Cb 0.02 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1h2i h ILE 39 CO -0.02 0.51 0.21 1.56 0.00 0.00 0.00 178.15 180.41 1h2i h GLN 40 N 0.61 0.40 0.10 2.37 1.08 -0.90 0.67 115.11 119.45 1h2i h GLN 40 Ca 0.05 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1h2i h GLN 40 Cb 0.95 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1h2i h GLN 40 CO 0.09 0.26 -0.05 0.87 -0.95 0.00 0.00 178.83 179.05 1h2i h LYS 41 N 0.41 -0.13 -0.84 1.46 1.57 -1.27 -3.12 116.57 114.65 1h2i h LYS 41 Ca 0.23 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.11 1h2i h LYS 41 Cb 0.20 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1h2i h LYS 41 CO -0.20 0.20 0.54 0.00 -0.57 0.00 0.00 179.45 179.42 1h2i h ALA 42 N 0.38 1.71 0.00 3.86 0.00 -0.82 -1.88 119.26 122.51 1h2i h ALA 42 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 42 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1h2i h ALA 42 CO 0.02 0.11 -0.06 -0.07 0.00 0.00 0.00 179.25 179.26 1h2i h LEU 43 N 0.79 0.00 -1.20 0.00 3.38 -0.81 -2.81 115.31 114.67 1h2i h LEU 43 Ca 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 1h2i h LEU 43 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1h2i h LEU 43 CO -0.16 0.06 -0.39 0.03 0.09 0.00 0.00 178.44 178.07 1h2i h ARG 44 N 0.00 0.00 -6.66 1.13 3.08 -1.36 0.99 114.38 111.56 1h2i h ARG 44 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1h2i h ARG 44 Cb 0.17 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.32 1h2i h ARG 44 CO 0.01 0.39 0.52 1.04 -1.07 0.00 0.00 179.97 180.86 1h2i n GLN 45 N -3.98 2.02 -2.69 0.04 6.02 -1.06 -4.60 117.38 113.14 1h2i n GLN 45 Ca -0.02 0.71 -0.29 0.00 -0.01 0.00 0.00 57.00 57.40 1h2i n GLN 45 Cb 0.43 -2.31 -0.01 0.00 1.02 0.00 0.00 30.24 29.37 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 -1.24 3.65 0.03 -1.09 1.81 -1.26 -1.41 118.95 119.43 1h2i s ARG 46 Ca 0.61 0.35 -0.05 0.00 -1.72 0.00 0.00 55.73 54.92 1h2i s ARG 46 Cb -0.61 -2.37 -0.05 0.00 -0.45 0.00 0.00 34.95 31.48 1h2i s ARG 46 CO 0.57 -0.15 0.26 -0.48 -0.68 0.00 0.00 175.30 174.81 1h2i s LEU 47 N -4.37 4.36 1.27 2.53 2.34 -1.26 -4.92 118.68 118.62 1h2i s LEU 47 Ca 0.49 0.49 -0.18 0.00 0.06 0.00 0.00 54.13 54.99 1h2i s LEU 47 Cb -0.10 -2.77 0.31 0.00 -0.56 0.00 0.00 46.19 43.07 1h2i s LEU 47 CO 0.40 0.22 1.01 -0.83 -1.06 0.00 0.00 176.35 176.08 1h2i s GLY 48 N -1.93 1.50 0.53 -3.48 0.00 -1.26 -4.90 107.32 97.78 1h2i s GLY 48 Ca 0.30 -0.63 0.22 0.00 0.00 0.00 0.00 44.72 44.61 1h2i s GLY 48 CO 0.19 0.24 2.15 -2.55 0.00 0.00 0.00 173.10 173.14 1h2i h PRO 49 N -2.91 0.00 0.00 2.90 0.11 -1.96 -2.29 132.00 127.86 1h2i h PRO 49 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.39 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.37 1h2i n GLU 50 N -4.15 0.02 -0.09 1.05 0.00 -1.26 -2.41 120.64 113.80 1h2i n GLU 50 Ca -0.03 0.37 -0.08 0.00 0.00 0.00 0.00 57.16 57.42 1h2i n GLU 50 Cb 0.13 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.93 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 -1.44 0.00 -3.09 -1.84 4.02 -0.86 -4.98 117.16 108.96 1h2i n TYR 51 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.51 1h2i n TYR 51 Cb 0.05 -0.87 -0.05 0.00 -0.02 0.00 0.00 39.34 38.46 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 -2.44 4.99 0.37 -0.72 -1.09 -1.01 -4.40 121.20 116.90 1h2i s ILE 52 Ca -0.09 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.76 1h2i s ILE 52 Cb 0.05 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1h2i s ILE 52 CO 0.72 0.31 0.06 -0.94 -1.23 0.00 0.00 174.94 173.86 1h2i s SER 53 N 0.48 2.86 0.13 3.58 1.04 -0.46 -4.98 113.70 116.35 1h2i s SER 53 Ca 0.35 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.22 1h2i s SER 53 Cb -0.18 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1h2i s SER 53 CO 0.18 -0.67 0.29 -0.94 0.98 0.00 0.00 173.24 173.08 1h2i s SER 54 N -3.58 0.00 0.18 7.02 1.04 -1.26 -1.61 113.70 115.49 1h2i s SER 54 Ca 0.31 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 1h2i s SER 54 Cb 0.07 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1h2i s SER 54 CO 0.15 -0.84 0.21 0.00 0.98 0.00 0.00 173.24 173.73 1h2i s ARG 55 N -3.89 1.18 -0.27 4.02 1.70 -0.75 -4.96 118.95 115.99 1h2i s ARG 55 Ca 0.09 -1.42 -0.18 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 34.71 1h2i s ARG 55 CO -0.06 -0.41 0.53 -1.64 -1.08 0.00 0.00 175.30 172.64 1h2i s MET 56 N -4.06 4.05 0.74 3.89 -1.94 -1.26 -1.43 119.30 119.28 1h2i s MET 56 Ca 0.28 0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 54.47 1h2i s MET 56 Cb 0.05 -3.66 0.03 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.06 -0.38 1.08 0.00 -0.01 0.00 0.00 175.02 175.77 1h2i s ALA 57 N 2.35 2.53 0.37 3.03 0.00 0.96 -4.88 121.76 126.11 1h2i s ALA 57 Ca 0.22 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.16 1h2i s ALA 57 Cb -0.16 -3.12 0.82 0.00 0.00 0.00 0.00 23.12 20.66 1h2i s ALA 57 CO 0.09 -1.41 1.91 0.78 0.00 0.00 0.00 175.76 177.13 1h2i h GLY 58 N -0.86 1.03 -1.08 0.00 0.00 -1.97 -0.32 103.07 99.87 1h2i h GLY 58 Ca -0.45 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1h2i h GLY 58 CO 0.59 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.88 1h2i n GLY 59 N -1.45 1.04 3.67 4.60 0.00 -1.26 -4.75 105.19 107.05 1h2i n GLY 59 Ca 0.14 0.00 -0.27 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 0.20 -0.52 3.08 -0.02 0.00 -0.13 -4.98 105.19 102.82 1h2i n GLY 60 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.38 1.10 0.36 1.61 -2.07 -1.20 -4.90 119.66 108.18 1h2i s GLN 61 Ca 0.59 -0.46 -0.28 0.00 -1.82 0.00 0.00 55.36 53.39 1h2i s GLN 61 Cb -0.28 -1.05 -0.11 0.00 -1.09 0.00 0.00 33.01 30.48 1h2i s GLN 61 CO 0.73 0.26 1.52 0.21 -1.32 0.00 0.00 175.29 176.69 1h2i s LYS 62 N -0.22 4.10 -0.09 9.60 2.20 -1.26 -0.03 119.74 134.04 1h2i s LYS 62 Ca 0.03 2.59 -0.01 0.00 -0.36 0.00 0.00 55.97 58.22 1h2i s LYS 62 Cb -0.06 -2.98 0.03 0.00 -1.51 0.00 0.00 37.83 33.31 1h2i s LYS 62 CO -0.00 -0.57 -0.03 0.08 -0.36 0.00 0.00 175.35 174.47 1h2i s VAL 63 N -0.86 0.65 0.22 4.02 1.01 -0.52 -4.84 120.40 120.08 1h2i s VAL 63 Ca 0.55 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1h2i s VAL 63 Cb -0.47 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1h2i s VAL 63 CO 0.60 0.30 0.51 0.00 0.00 0.00 0.00 175.10 176.51 1h2i s TYR 65 N -1.82 -0.17 -0.07 0.00 -0.85 -0.63 -4.99 117.35 108.81 1h2i s TYR 65 Ca 0.45 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.92 1h2i s TYR 65 Cb -0.11 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 1h2i s TYR 65 CO 0.23 -0.78 -0.12 0.42 -1.52 0.00 0.00 175.55 173.78 1h2i s ILE 66 N -3.27 3.24 0.22 -3.49 1.01 -1.26 -1.36 121.20 116.30 1h2i s ILE 66 Ca 0.11 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1h2i s ILE 66 Cb -0.01 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.07 1h2i s ILE 66 CO 0.00 0.58 1.07 -1.61 0.00 0.00 0.00 174.94 174.98 1h2i s GLU 67 N -0.59 4.66 0.30 2.79 2.02 -1.26 -4.91 118.70 121.71 1h2i s GLU 67 Ca 0.08 1.70 0.03 0.00 0.02 0.00 0.00 54.97 56.81 1h2i s GLU 67 Cb -0.11 -3.25 0.76 0.00 0.10 0.00 0.00 34.13 31.63 1h2i s GLU 67 CO 0.01 0.20 1.63 0.78 0.02 0.00 0.00 175.26 177.91 1h2i h GLY 68 N 4.50 1.42 2.00 -1.39 0.00 -1.99 0.28 103.07 107.90 1h2i h GLY 68 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1h2i h GLY 68 CO 0.70 -0.42 -0.18 1.12 0.00 0.00 0.00 176.54 177.75 1h2i h HIS 69 N 0.17 0.00 -0.21 5.60 2.07 -1.99 0.85 115.15 121.64 1h2i h HIS 69 Ca 0.58 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.89 1h2i h HIS 69 Cb 1.21 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.20 1h2i h HIS 69 CO -0.28 0.18 -0.69 0.00 -3.07 0.00 0.00 177.93 174.08 1h2i h ARG 70 N 0.00 0.82 -0.61 5.12 2.47 -0.83 -2.42 114.38 118.93 1h2i h ARG 70 Ca -0.00 -0.61 -0.03 0.00 -1.26 0.00 0.00 59.98 58.08 1h2i h ARG 70 Cb 0.36 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 1h2i h ARG 70 CO 0.02 1.23 0.27 0.28 0.56 0.00 0.00 179.97 182.33 1h2i h VAL 71 N 0.59 1.22 -0.58 2.04 2.07 -0.74 0.98 116.25 121.84 1h2i h VAL 71 Ca -0.03 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1h2i h VAL 71 Cb 1.31 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1h2i h VAL 71 CO 0.14 0.27 0.38 0.40 0.02 0.00 0.00 177.57 178.78 1h2i h ILE 72 N 0.85 1.13 -0.17 4.57 2.04 -0.82 -0.59 117.51 124.51 1h2i h ILE 72 Ca 0.21 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 1h2i h ILE 72 Cb 0.16 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1h2i h ILE 72 CO -0.02 0.14 -0.46 0.78 0.00 0.00 0.00 178.15 178.58 1h2i h ASN 73 N 0.76 0.47 -0.55 1.72 2.35 -0.96 -0.40 115.58 118.97 1h2i h ASN 73 Ca 0.22 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1h2i h ASN 73 Cb -0.06 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1h2i h ASN 73 CO -0.06 0.87 0.34 -0.07 -1.65 0.00 0.00 177.43 176.86 1h2i h LEU 74 N 0.35 0.66 -0.13 1.61 3.38 -0.42 -0.90 115.31 119.85 1h2i h LEU 74 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1h2i h LEU 74 Cb 0.95 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1h2i h LEU 74 CO 0.08 0.52 0.06 0.00 0.09 0.00 0.00 178.44 179.20 1h2i h ALA 75 N 1.17 0.17 -0.66 1.53 0.00 -0.74 0.32 119.26 121.05 1h2i h ALA 75 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1h2i h ALA 75 Cb -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1h2i h ALA 75 CO -0.04 -0.26 0.35 -0.91 0.00 0.00 0.00 179.25 178.39 1h2i h ASN 76 N 0.08 0.82 0.58 0.00 2.35 -0.86 -0.03 115.58 118.52 1h2i h ASN 76 Ca 0.05 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 1h2i h ASN 76 Cb 0.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1h2i h ASN 76 CO -0.01 0.67 -0.85 -0.33 -1.65 0.00 0.00 177.43 175.27 1h2i h GLU 77 N 0.92 0.19 -0.07 0.81 4.39 -0.95 0.23 114.58 120.10 1h2i h GLU 77 Ca 0.23 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1h2i h GLU 77 Cb 0.05 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1h2i h GLU 77 CO -0.04 0.93 -0.35 1.98 -1.16 0.00 0.00 179.01 180.37 1h2i h MET 78 N 0.11 0.36 0.00 2.33 4.05 -0.44 -3.38 114.93 117.97 1h2i h MET 78 Ca -0.04 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1h2i h MET 78 Cb 1.47 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1h2i h MET 78 CO 0.13 0.94 -0.69 1.19 0.23 0.00 0.00 176.91 178.71 1h2i n PHE 79 N -4.39 0.00 0.00 1.39 3.72 -0.07 -4.97 117.46 113.13 1h2i n PHE 79 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1h2i n PHE 79 Cb 0.52 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.36 1.63 0.29 1.37 0.00 0.81 -3.27 105.19 107.38 1h2i n GLY 80 Ca 0.01 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.40 1.61 -0.00 -1.89 -0.28 116.97 116.01 1h2i h TYR 81 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h2i h TYR 81 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1h2i h TYR 81 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1h2i n ASN 82 N -4.15 4.68 -0.29 0.10 2.04 -1.26 -4.52 115.26 111.86 1h2i n ASN 82 Ca -0.02 -2.99 0.08 0.00 -0.44 0.00 0.00 54.58 51.21 1h2i n ASN 82 Cb 0.13 -0.61 -0.03 0.00 -2.53 0.00 0.00 39.78 36.74 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 -0.04 -0.16 3.22 4.83 0.00 -0.12 -4.73 105.19 108.20 1h2i n GLY 83 Ca 0.24 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.16 0.11 0.23 1.61 1.48 -1.26 -1.75 118.94 117.20 1h2i s TRP 84 Ca 0.12 -0.52 -0.16 0.00 -1.06 0.00 0.00 56.10 54.49 1h2i s TRP 84 Cb 0.14 -0.02 0.01 0.00 -1.16 0.00 0.00 33.47 32.44 1h2i s TRP 84 CO 0.50 -0.57 0.53 0.00 -4.06 0.00 0.00 176.95 173.35 1h2i s ALA 85 N -3.85 -0.63 -0.02 2.67 0.00 0.17 -4.97 121.76 115.13 1h2i s ALA 85 Ca 0.05 -0.57 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 1h2i s ALA 85 Cb 0.04 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.15 1h2i s ALA 85 CO -0.11 -0.86 0.46 -3.38 0.00 0.00 0.00 175.76 171.87 1h2i s HIS 86 N -3.95 -0.38 0.12 0.00 -3.43 -1.26 -0.11 115.29 106.28 1h2i s HIS 86 Ca 0.16 0.60 0.01 0.00 -0.80 0.00 0.00 55.06 55.02 1h2i s HIS 86 Cb -0.02 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1h2i s HIS 86 CO 0.04 -0.49 -0.01 -1.54 -2.00 0.00 0.00 174.74 170.74 1h2i s SER 87 N -1.33 0.89 -0.42 7.38 1.04 -0.38 -4.99 113.70 115.89 1h2i s SER 87 Ca -0.12 -1.10 -0.13 0.00 0.48 0.00 0.00 55.95 55.08 1h2i s SER 87 Cb -0.03 0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.30 1h2i s SER 87 CO 0.06 -0.58 0.30 -0.63 0.98 0.00 0.00 173.24 173.37 1h2i s ILE 88 N -3.77 4.88 0.27 -1.02 1.01 -1.26 -1.04 121.20 120.27 1h2i s ILE 88 Ca 0.18 -0.99 0.14 0.00 0.00 0.00 0.00 60.65 59.98 1h2i s ILE 88 Cb 0.06 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.76 1h2i s ILE 88 CO -0.01 -0.42 1.72 0.71 0.00 0.00 0.00 174.94 176.93 1h2i h THR 89 N 5.82 1.21 -1.33 2.92 1.35 -0.67 -3.46 112.91 118.75 1h2i h THR 89 Ca -0.26 -1.68 0.15 0.00 -0.55 0.00 0.00 66.41 64.07 1h2i h THR 89 Cb 1.11 1.94 -0.26 0.00 -1.73 0.00 0.00 68.15 69.21 1h2i h THR 89 CO 0.77 0.46 0.73 -1.58 -0.25 0.00 0.00 175.52 175.65 1h2i s GLN 90 N -3.78 0.34 -0.07 4.72 0.74 -1.20 -4.99 119.66 115.42 1h2i s GLN 90 Ca -0.01 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.52 1h2i s GLN 90 Cb 0.13 0.16 0.02 0.00 1.10 0.00 0.00 33.01 34.42 1h2i s GLN 90 CO 0.72 -0.10 -0.08 -1.14 -0.55 0.00 0.00 175.29 174.15 1h2i s GLN 91 N -0.90 1.28 -0.06 1.67 0.74 -1.26 -0.24 119.66 120.88 1h2i s GLN 91 Ca 0.03 -0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.25 1h2i s GLN 91 Cb -0.01 -1.21 0.00 0.00 1.10 0.00 0.00 33.01 32.89 1h2i s GLN 91 CO -0.04 -0.09 -0.17 1.21 -0.55 0.00 0.00 175.29 175.65 1h2i s ASN 92 N 1.05 2.26 -0.45 6.67 3.84 0.11 -4.99 114.94 123.44 1h2i s ASN 92 Ca -0.08 -0.38 -0.24 0.00 0.21 0.00 0.00 52.86 52.36 1h2i s ASN 92 Cb -0.14 -0.85 0.02 0.00 -0.55 0.00 0.00 41.25 39.74 1h2i s ASN 92 CO -0.01 0.12 0.85 -0.69 -2.79 0.00 0.00 177.10 174.58 1h2i s VAL 93 N 0.29 4.58 0.20 -5.21 1.01 -1.26 -1.16 120.40 118.85 1h2i s VAL 93 Ca -0.10 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1h2i s VAL 93 Cb -0.14 -4.36 0.06 0.00 0.00 0.00 0.00 36.38 31.93 1h2i s VAL 93 CO 0.04 -0.74 1.64 0.44 0.00 0.00 0.00 175.10 176.48 1h2i h ASP 94 N 8.97 0.93 -3.95 3.32 3.45 -1.31 -3.47 116.42 124.35 1h2i h ASP 94 Ca -0.24 -0.29 0.16 0.00 0.43 0.00 0.00 57.03 57.08 1h2i h ASP 94 Cb 1.08 -0.25 -0.22 0.00 -0.56 0.00 0.00 39.33 39.38 1h2i h ASP 94 CO 0.99 1.04 0.69 0.72 -1.57 0.00 0.00 179.24 181.11 1h2i s PHE 95 N -4.84 -0.24 -0.32 4.55 -0.12 -1.20 -4.99 117.98 110.82 1h2i s PHE 95 Ca -0.11 0.34 -0.01 0.00 -0.05 0.00 0.00 56.93 57.10 1h2i s PHE 95 Cb 0.13 0.48 0.11 0.00 -0.63 0.00 0.00 43.02 43.11 1h2i s PHE 95 CO 0.85 -0.26 0.12 0.08 -0.05 0.00 0.00 175.22 175.96 1h2i s VAL 96 N -1.56 0.76 -0.06 -2.49 1.01 -1.26 -2.60 120.40 114.21 1h2i s VAL 96 Ca 0.04 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 1h2i s VAL 96 Cb -0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1h2i s VAL 96 CO -0.03 -0.72 0.06 -1.81 0.00 0.00 0.00 175.10 172.59 1h2i s ASP 97 N 1.52 5.60 -0.33 3.32 1.01 0.95 -4.94 116.67 123.80 1h2i s ASP 97 Ca 0.11 0.19 -0.03 0.00 0.71 0.00 0.00 52.55 53.53 1h2i s ASP 97 Cb -0.18 -1.63 0.06 0.00 1.01 0.00 0.00 42.92 42.18 1h2i s ASP 97 CO -0.23 0.34 0.07 -0.22 0.21 0.00 0.00 175.17 175.34 1h2i s LEU 98 N -1.28 4.27 0.00 1.23 2.96 -1.26 0.11 118.68 124.71 1h2i s LEU 98 Ca 0.18 -1.39 0.11 0.00 -0.22 0.00 0.00 54.13 52.81 1h2i s LEU 98 Cb -0.12 -1.77 0.16 0.00 0.50 0.00 0.00 46.19 44.96 1h2i s LEU 98 CO 0.07 -0.33 0.99 0.59 -1.32 0.00 0.00 176.35 176.36 1h2i n ASN 99 N 4.66 2.28 0.00 3.68 5.03 -0.75 -4.96 115.26 125.20 1h2i n ASN 99 Ca -0.11 -1.65 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1h2i n ASN 99 Cb 0.43 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 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 0.62 0.00 -0.00 6.41 3.02 -1.26 -4.90 115.26 119.14 1h2i n ASN 100 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1h2i n ASN 100 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 2.86 3.53 7.41 0.00 -1.26 -5.02 105.19 112.70 1h2i n GLY 101 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.98 1.94 -0.12 1.61 1.02 -1.26 -4.49 119.74 117.46 1h2i s LYS 102 Ca 0.00 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 54.82 1h2i s LYS 102 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1h2i s LYS 102 CO 0.00 0.49 0.10 -0.06 -0.92 0.00 0.00 175.35 174.96 1h2i s PHE 103 N -1.19 3.45 -0.19 3.18 0.40 -0.15 -1.81 117.98 121.66 1h2i s PHE 103 Ca 0.20 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.93 1h2i s PHE 103 Cb -0.11 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1h2i s PHE 103 CO 0.12 0.61 -0.17 0.71 0.70 0.00 0.00 175.22 177.18 1h2i s TYR 104 N -0.84 2.83 -0.04 0.36 1.51 0.12 -1.82 117.35 119.47 1h2i s TYR 104 Ca 0.13 -1.56 0.02 0.00 -1.01 0.00 0.00 57.07 54.65 1h2i s TYR 104 Cb -0.12 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1h2i s TYR 104 CO 0.03 -0.77 -0.08 0.08 -1.11 0.00 0.00 175.55 173.70 1h2i s VAL 105 N 1.31 0.76 -0.11 0.71 1.01 0.43 -0.03 120.40 124.48 1h2i s VAL 105 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1h2i s VAL 105 Cb -0.13 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1h2i s VAL 105 CO -0.11 0.26 -0.18 -0.83 0.00 0.00 0.00 175.10 174.24 1h2i s GLY 106 N 0.59 1.14 0.00 4.51 0.00 -1.07 -1.50 107.32 110.99 1h2i s GLY 106 Ca -0.10 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1h2i s GLY 106 CO 0.01 0.04 -0.08 0.14 0.00 0.00 0.00 173.10 173.21 1h2i s VAL 107 N 0.76 0.62 0.10 1.40 1.01 0.22 -0.75 120.40 123.76 1h2i s VAL 107 Ca -0.11 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1h2i s VAL 107 Cb -0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1h2i s VAL 107 CO 0.01 0.09 -0.27 0.00 0.00 0.00 0.00 175.10 174.94 1h2i s ALA 109 N -0.96 0.85 -0.26 0.00 0.00 -0.43 -0.71 121.76 120.25 1h2i s ALA 109 Ca 0.13 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 1h2i s ALA 109 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1h2i s ALA 109 CO 0.04 0.15 0.03 -0.06 0.00 0.00 0.00 175.76 175.92 1h2i s PHE 110 N -0.68 3.08 -0.13 0.00 0.40 0.66 -0.12 117.98 121.19 1h2i s PHE 110 Ca 0.00 -0.98 0.01 0.00 -0.60 0.00 0.00 56.93 55.36 1h2i s PHE 110 Cb -0.06 -2.19 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 1h2i s PHE 110 CO 0.00 -0.56 -0.16 0.08 0.70 0.00 0.00 175.22 175.29 1h2i s VAL 111 N 1.48 2.76 -0.24 -0.44 1.01 -0.67 0.13 120.40 124.44 1h2i s VAL 111 Ca 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1h2i s VAL 111 Cb -0.16 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1h2i s VAL 111 CO 0.00 0.53 0.04 -0.60 0.00 0.00 0.00 175.10 175.07 1h2i s ARG 112 N 0.46 3.58 -0.05 2.72 3.52 -0.21 -1.81 118.95 127.15 1h2i s ARG 112 Ca -0.11 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1h2i s ARG 112 Cb -0.16 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1h2i s ARG 112 CO 0.05 -0.19 -0.02 0.54 -0.81 0.00 0.00 175.30 174.87 1h2i s VAL 113 N 1.58 4.09 0.05 7.11 0.11 0.04 -1.25 120.40 132.13 1h2i s VAL 113 Ca 0.06 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1h2i s VAL 113 Cb -0.15 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.93 1h2i s VAL 113 CO 0.02 0.52 -0.10 -1.58 -3.33 0.00 0.00 175.10 170.63 1h2i s GLN 114 N -1.12 0.62 0.38 1.54 0.74 0.84 -1.52 119.66 121.13 1h2i s GLN 114 Ca 0.15 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 54.83 1h2i s GLN 114 Cb -0.11 -0.48 -0.01 0.00 1.10 0.00 0.00 33.01 33.52 1h2i s GLN 114 CO 0.05 0.10 0.55 -0.51 -0.55 0.00 0.00 175.29 174.93 1h2i s LEU 115 N -1.52 3.84 0.06 3.68 1.02 -0.59 0.42 118.68 125.59 1h2i s LEU 115 Ca -0.07 -0.02 0.09 0.00 0.02 0.00 0.00 54.13 54.15 1h2i s LEU 115 Cb -0.09 -2.89 0.42 0.00 0.02 0.00 0.00 46.19 43.64 1h2i s LEU 115 CO 0.01 -0.55 1.28 2.29 0.02 0.00 0.00 176.35 179.40 1h2i n LYS 116 N -1.81 0.03 -0.08 1.70 2.85 -0.72 -0.75 118.16 119.38 1h2i n LYS 116 Ca 0.01 0.44 -0.15 0.00 -1.05 0.00 0.00 58.31 57.56 1h2i n LYS 116 Cb 0.58 -1.59 -0.04 0.00 -0.65 0.00 0.00 35.03 33.33 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 0.98 0.00 -5.58 -0.00 -1.83 -0.38 116.42 109.60 1h2i h ASP 117 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 1h2i h ASP 117 Cb 0.10 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.15 1h2i h ASP 117 CO 0.00 1.33 0.00 0.61 -0.00 0.00 0.00 179.24 181.18 1h2i n GLY 118 N 0.36 1.66 3.74 -0.78 0.00 0.07 -4.53 105.19 105.71 1h2i n GLY 118 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.78 4.33 0.20 1.61 1.04 -1.26 -4.76 113.70 113.09 1h2i s SER 119 Ca 0.00 2.10 -0.22 0.00 0.48 0.00 0.00 55.95 58.31 1h2i s SER 119 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1h2i s SER 119 CO 0.00 -2.16 0.67 -0.72 0.98 0.00 0.00 173.24 172.02 1h2i s TYR 120 N -2.40 -0.37 -0.10 5.02 -0.85 -1.26 -1.54 117.35 115.84 1h2i s TYR 120 Ca 0.68 0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 57.19 1h2i s TYR 120 Cb -0.23 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.76 1h2i s TYR 120 CO 0.48 -1.00 0.28 -1.01 -1.52 0.00 0.00 175.55 172.79 1h2i s HIS 121 N -3.78 -0.30 0.02 -3.49 3.76 -0.58 -5.00 115.29 105.92 1h2i s HIS 121 Ca 0.06 0.74 0.05 0.00 -0.15 0.00 0.00 55.06 55.75 1h2i s HIS 121 Cb -0.03 0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.74 1h2i s HIS 121 CO -0.04 -0.15 -0.15 -2.00 -0.85 0.00 0.00 174.74 171.55 1h2i s GLU 122 N 0.12 1.09 0.30 1.40 2.12 -1.26 -0.78 118.70 121.68 1h2i s GLU 122 Ca -0.00 -0.69 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 1h2i s GLU 122 Cb -0.02 -1.09 -0.01 0.00 0.26 0.00 0.00 34.13 33.27 1h2i s GLU 122 CO 0.00 0.28 0.41 0.34 -0.54 0.00 0.00 175.26 175.76 1h2i s ASP 123 N -0.83 0.63 0.08 -1.70 -1.08 -0.75 -4.89 116.67 108.12 1h2i s ASP 123 Ca 0.04 -1.37 0.01 0.00 -0.52 0.00 0.00 52.55 50.72 1h2i s ASP 123 Cb -0.07 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1h2i s ASP 123 CO 0.01 -1.18 0.19 -0.69 0.52 0.00 0.00 175.17 174.02 1h2i s VAL 124 N -3.47 5.15 0.14 1.11 1.01 -1.26 -1.66 120.40 121.42 1h2i s VAL 124 Ca 0.31 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1h2i s VAL 124 Cb 0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1h2i s VAL 124 CO 0.17 0.10 -0.16 -0.83 0.00 0.00 0.00 175.10 174.38 1h2i s GLY 125 N -2.60 1.22 0.08 4.51 0.00 0.82 -4.46 107.32 106.90 1h2i s GLY 125 Ca 0.33 -1.39 0.07 0.00 0.00 0.00 0.00 44.72 43.74 1h2i s GLY 125 CO 0.27 -1.45 -0.20 -0.47 0.00 0.00 0.00 173.10 171.25 1h2i s TYR 126 N -2.14 1.69 -0.07 1.90 5.04 -1.26 -1.32 117.35 121.19 1h2i s TYR 126 Ca 0.12 -0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.38 1h2i s TYR 126 Cb -0.05 -0.95 0.00 0.00 0.35 0.00 0.00 41.96 41.32 1h2i s TYR 126 CO 0.05 0.16 -0.18 0.20 -1.34 0.00 0.00 175.55 174.44 1h2i s GLY 127 N -1.71 1.00 0.01 8.97 0.00 0.25 -3.81 107.32 112.03 1h2i s GLY 127 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.14 1h2i s GLY 127 CO 0.03 -0.19 -0.15 0.14 0.00 0.00 0.00 173.10 172.94 1h2i s VAL 128 N 0.34 1.18 -0.08 1.40 1.01 -1.26 -0.61 120.40 122.38 1h2i s VAL 128 Ca -0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1h2i s VAL 128 Cb -0.15 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.26 1h2i s VAL 128 CO 0.05 0.22 0.08 -0.55 0.00 0.00 0.00 175.10 174.90 1h2i s SER 129 N -0.64 1.38 -0.07 3.32 0.15 -0.56 -4.55 113.70 112.72 1h2i s SER 129 Ca 0.05 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1h2i s SER 129 Cb -0.06 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1h2i s SER 129 CO 0.00 -0.27 -0.10 -1.61 1.20 0.00 0.00 173.24 172.46 1h2i s GLU 130 N 2.18 1.50 0.00 5.44 2.02 -1.26 -0.43 118.70 128.15 1h2i s GLU 130 Ca 0.04 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1h2i s GLU 130 Cb -0.13 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1h2i s GLU 130 CO -0.05 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1h2i n GLY 131 N 4.17 1.99 3.75 -1.39 0.00 -0.75 -5.02 105.19 107.93 1h2i n GLY 131 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 2.67 -0.01 0.99 1.43 -1.26 -4.64 118.68 117.87 1h2i s LEU 132 Ca 0.00 1.65 0.21 0.00 -1.03 0.00 0.00 54.13 54.97 1h2i s LEU 132 Cb 0.00 -4.23 -0.25 0.00 0.03 0.00 0.00 46.19 41.74 1h2i s LEU 132 CO 0.00 -2.30 0.75 0.29 0.23 0.00 0.00 176.35 175.32 1h2i n LYS 133 N -3.68 0.26 -2.99 1.70 5.02 -1.26 -0.98 118.16 116.24 1h2i n LYS 133 Ca 0.08 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1h2i n LYS 133 Cb 0.54 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 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 -3.62 6.66 0.05 4.39 0.15 -1.26 -4.81 113.70 115.26 1h2i s SER 134 Ca 0.02 0.73 -0.25 0.00 0.70 0.00 0.00 55.95 57.15 1h2i s SER 134 Cb 0.15 -2.39 -0.17 0.00 -1.71 0.00 0.00 66.02 61.90 1h2i s SER 134 CO 0.88 -0.53 1.53 0.50 1.20 0.00 0.00 173.24 176.82 1h2i h LYS 135 N 7.98 -0.14 -0.01 5.44 3.64 -1.98 -1.47 116.57 130.03 1h2i h LYS 135 Ca -0.25 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1h2i h LYS 135 Cb 1.10 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1h2i h LYS 135 CO 0.85 0.07 -0.26 0.00 -2.27 0.00 0.00 179.45 177.83 1h2i h ALA 136 N 0.54 -0.36 0.00 5.00 0.00 -1.99 0.11 119.26 122.56 1h2i h ALA 136 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 136 Cb 0.27 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h2i h ALA 136 CO 0.02 -0.77 -0.05 -0.07 0.00 0.00 0.00 179.25 178.39 1h2i h LEU 137 N -0.40 0.00 -0.03 0.00 -0.00 -1.96 -0.08 115.31 112.84 1h2i h LEU 137 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1h2i h LEU 137 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1h2i h LEU 137 CO -0.23 0.05 -0.10 0.28 -0.00 0.00 0.00 178.44 178.43 1h2i h SER 138 N 0.00 0.14 -0.27 -0.43 0.02 -0.12 -2.26 113.55 110.62 1h2i h SER 138 Ca -0.00 -0.64 0.01 0.00 -0.84 0.00 0.00 61.79 60.32 1h2i h SER 138 Cb 0.09 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1h2i h SER 138 CO 0.01 0.76 0.15 -0.07 -1.14 0.00 0.00 176.83 176.53 1h2i h LEU 139 N -0.47 0.23 -0.86 5.07 -0.00 -0.56 -1.45 115.31 117.28 1h2i h LEU 139 Ca -0.01 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 139 Cb 0.75 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.31 1h2i h LEU 139 CO 0.02 0.17 0.55 -0.08 -0.00 0.00 0.00 178.44 179.10 1h2i h GLU 140 N 0.31 1.00 -0.17 1.13 4.81 -1.06 0.11 114.58 120.71 1h2i h GLU 140 Ca 0.11 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1h2i h GLU 140 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1h2i h GLU 140 CO -0.06 0.66 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.61 1h2i h LYS 141 N 1.03 0.33 -0.41 1.92 3.64 -1.05 -2.45 116.57 119.58 1h2i h LYS 141 Ca 0.36 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1h2i h LYS 141 Cb 0.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1h2i h LYS 141 CO -0.14 0.61 0.11 0.00 -2.27 0.00 0.00 179.45 177.76 1h2i h ALA 142 N 0.71 0.54 -0.34 5.00 0.00 -0.92 -1.26 119.26 122.99 1h2i h ALA 142 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1h2i h ALA 142 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1h2i h ALA 142 CO 0.02 0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.60 1h2i h ARG 143 N 0.52 0.51 -0.49 0.00 3.08 -0.80 -1.55 114.38 115.65 1h2i h ARG 143 Ca 0.13 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1h2i h ARG 143 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1h2i h ARG 143 CO -0.00 0.51 0.05 0.87 -1.07 0.00 0.00 179.97 180.33 1h2i h LYS 144 N 0.40 0.84 -0.25 0.04 1.57 -1.39 -2.91 116.57 114.87 1h2i h LYS 144 Ca 0.11 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1h2i h LYS 144 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1h2i h LYS 144 CO -0.01 0.85 -0.34 0.93 -0.57 0.00 0.00 179.45 180.31 1h2i h GLU 145 N 0.71 0.55 -0.69 3.15 5.08 -1.16 -2.49 114.58 119.73 1h2i h GLU 145 Ca 0.15 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1h2i h GLU 145 Cb 0.44 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1h2i h GLU 145 CO 0.02 0.82 0.35 0.00 -1.00 0.00 0.00 179.01 179.20 1h2i h ALA 146 N 1.16 0.93 -0.10 3.43 0.00 -1.12 0.59 119.26 124.16 1h2i h ALA 146 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1h2i h ALA 146 Cb 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h2i h ALA 146 CO 0.07 -0.02 -0.00 0.28 0.00 0.00 0.00 179.25 179.58 1h2i h VAL 147 N 0.62 1.25 -0.60 0.00 2.07 -1.33 -0.12 116.25 118.15 1h2i h VAL 147 Ca 0.33 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1h2i h VAL 147 Cb 0.30 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1h2i h VAL 147 CO -0.24 0.23 0.24 0.74 0.02 0.00 0.00 177.57 178.56 1h2i h THR 148 N -0.11 1.23 -0.73 2.57 2.02 -1.03 0.11 112.91 116.97 1h2i h THR 148 Ca 0.03 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1h2i h THR 148 Cb 0.35 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1h2i h THR 148 CO 0.01 0.28 0.44 -0.78 0.37 0.00 0.00 175.52 175.84 1h2i h ASP 149 N 0.84 0.88 -0.47 4.18 -0.00 0.24 0.16 116.42 122.25 1h2i h ASP 149 Ca 0.20 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.03 57.11 1h2i h ASP 149 Cb 0.21 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.30 1h2i h ASP 149 CO -0.02 0.69 0.08 1.23 -0.00 0.00 0.00 179.24 181.22 1h2i h GLY 150 N 1.00 0.84 0.96 -0.78 0.00 -0.42 -0.57 103.07 104.10 1h2i h GLY 150 Ca 0.26 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1h2i h GLY 150 CO -0.05 0.52 0.40 -2.00 0.00 0.00 0.00 176.54 175.41 1h2i h LEU 151 N 0.65 0.68 -0.38 3.11 5.85 -0.27 -0.19 115.31 124.75 1h2i h LEU 151 Ca 0.14 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1h2i h LEU 151 Cb 0.39 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1h2i h LEU 151 CO 0.01 0.48 0.18 0.11 -0.34 0.00 0.00 178.44 178.88 1h2i h LYS 152 N 0.80 0.56 -0.75 1.25 1.57 -0.69 -1.56 116.57 117.75 1h2i h LYS 152 Ca 0.23 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1h2i h LYS 152 Cb -0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1h2i h LYS 152 CO -0.07 0.50 0.25 0.00 -0.57 0.00 0.00 179.45 179.57 1h2i h ARG 153 N 0.48 1.15 0.01 3.15 3.08 -0.70 -2.11 114.38 119.45 1h2i h ARG 153 Ca 0.13 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1h2i h ARG 153 Cb 0.14 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1h2i h ARG 153 CO -0.01 0.97 -0.01 0.00 -1.07 0.00 0.00 179.97 179.85 1h2i h ALA 154 N 1.13 -0.02 -0.48 0.04 0.00 -0.83 -2.79 119.26 116.31 1h2i h ALA 154 Ca 0.24 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1h2i h ALA 154 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1h2i h ALA 154 CO -0.01 -0.50 0.32 -0.07 0.00 0.00 0.00 179.25 178.99 1h2i h LEU 155 N -0.04 0.38 -1.60 0.00 4.07 -1.11 -1.46 115.31 115.55 1h2i h LEU 155 Ca -0.00 -0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.12 1h2i h LEU 155 Cb 0.04 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 1h2i h LEU 155 CO 0.00 0.25 0.52 0.03 -1.08 0.00 0.00 178.44 178.17 1h2i h ARG 156 N 0.43 0.37 -0.21 1.13 3.08 -1.09 -1.23 114.38 116.86 1h2i h ARG 156 Ca 0.21 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.30 1h2i h ARG 156 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1h2i h ARG 156 CO -0.05 0.24 0.29 0.77 -1.07 0.00 0.00 179.97 180.15 1h2i h SER 157 N 0.38 0.00 1.48 7.04 0.02 -1.34 -1.45 113.55 119.69 1h2i h SER 157 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1h2i h SER 157 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1h2i h SER 157 CO -0.12 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.31 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.41 -3.49 116.94 114.49 1h2i h PHE 158 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1h2i h PHE 158 Cb 0.68 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1h2i h PHE 158 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1h2i n GLY 159 N 0.87 1.41 0.16 -1.45 0.00 -0.54 -4.93 105.19 100.71 1h2i n GLY 159 Ca 0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 0.13 -0.25 1.61 2.35 -1.60 -1.55 115.58 116.28 1h2i h ASN 160 Ca 0.00 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1h2i h ASN 160 Cb 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1h2i h ASN 160 CO 0.00 0.11 0.32 0.00 -1.65 0.00 0.00 177.43 176.21 1h2i h ALA 161 N 1.25 1.84 -0.61 -0.83 0.00 0.38 0.25 119.26 121.54 1h2i h ALA 161 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h2i h ALA 161 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h2i h ALA 161 CO -0.18 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 179.90 1h2i n LEU 162 N -3.61 4.39 0.00 0.00 7.99 -0.70 -4.93 117.00 120.14 1h2i n LEU 162 Ca 0.03 -2.37 0.00 0.00 -0.01 0.00 0.00 56.01 53.67 1h2i n LEU 162 Cb 0.45 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 1h2i n LEU 162 CO 0.25 0.83 0.00 0.61 -1.51 0.00 0.00 177.39 177.57 1h2i n GLY 163 N 1.04 1.37 0.33 -0.72 0.00 0.85 -3.98 105.19 104.08 1h2i n GLY 163 Ca 0.24 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.19 1.61 -0.00 -1.25 -1.69 115.58 114.05 1h2i h ASN 164 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.14 1h2i h ASN 164 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1h2i h ASN 164 CO 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 177.43 176.98 1h2i n ILE 166 N -4.02 0.00 -0.00 0.00 0.00 -0.64 0.66 119.36 115.36 1h2i n ILE 166 Ca -0.03 0.95 0.04 0.00 0.00 0.00 0.00 62.75 63.72 1h2i n ILE 166 Cb 0.57 -1.64 0.09 0.00 0.00 0.00 0.00 39.64 38.66 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 2.41 -4.57 9.51 -0.00 -1.26 -4.90 117.00 115.20 1h2i n LEU 167 Ca 0.24 -1.73 -0.41 0.00 -0.00 0.00 0.00 56.01 54.10 1h2i n LEU 167 Cb 1.24 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 44.51 1h2i n LEU 167 CO 0.24 0.58 1.15 -0.62 -0.00 0.00 0.00 177.39 178.74 1h2i s ASP 168 N -0.91 6.25 0.52 1.45 3.68 0.21 -4.93 116.67 122.95 1h2i s ASP 168 Ca 0.15 -0.13 0.29 0.00 2.13 0.00 0.00 52.55 55.00 1h2i s ASP 168 Cb 0.08 -2.56 1.43 0.00 -1.45 0.00 0.00 42.92 40.43 1h2i s ASP 168 CO 0.11 -1.69 1.90 0.11 0.13 0.00 0.00 175.17 175.73 1h2i h LYS 169 N 10.06 0.04 -0.01 4.34 1.57 -1.91 0.12 116.57 130.78 1h2i h LYS 169 Ca -0.27 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 1h2i h LYS 169 Cb 1.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1h2i h LYS 169 CO 1.23 0.03 -0.70 -0.44 -0.57 0.00 0.00 179.45 179.00 1h2i h ASP 170 N 0.04 0.07 -0.07 0.86 3.32 -1.95 -1.12 116.42 117.56 1h2i h ASP 170 Ca 0.41 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.35 1h2i h ASP 170 Cb 1.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1h2i h ASP 170 CO -0.02 0.74 -0.21 0.22 -1.72 0.00 0.00 179.24 178.25 1h2i h TYR 171 N 0.04 0.35 -0.34 4.55 3.20 -1.15 -2.29 116.97 121.33 1h2i h TYR 171 Ca -0.01 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.75 1h2i h TYR 171 Cb 1.24 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1h2i h TYR 171 CO 0.01 0.83 0.13 -0.07 -1.64 0.00 0.00 178.16 177.42 1h2i h LEU 172 N -0.23 0.17 0.02 2.82 3.38 -1.21 -1.51 115.31 118.74 1h2i h LEU 172 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1h2i h LEU 172 Cb 0.83 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1h2i h LEU 172 CO 0.05 0.13 -0.37 -0.09 0.09 0.00 0.00 178.44 178.25 1h2i h ARG 173 N 0.29 -0.52 0.00 1.13 2.43 -1.20 -0.15 114.38 116.36 1h2i h ARG 173 Ca 0.15 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1h2i h ARG 173 Cb 0.10 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1h2i h ARG 173 CO -0.14 -0.34 0.00 -1.13 -1.51 0.00 0.00 179.97 176.85 1h2i n SER 174 N -5.44 0.00 0.08 -3.80 3.41 -0.86 -2.05 113.62 104.96 1h2i n SER 174 Ca -0.06 0.10 -0.20 0.00 -0.26 0.00 0.00 58.87 58.46 1h2i n SER 174 Cb 0.35 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 63.85 1h2i n SER 174 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1h2i h LEU 175 N 0.00 0.52 -1.42 1.04 3.38 0.02 -3.30 115.31 115.55 1h2i h LEU 175 Ca 0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 1h2i h LEU 175 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1h2i h LEU 175 CO 0.00 1.59 0.01 0.78 0.09 0.00 0.00 178.44 180.91 1h2i h ASN 176 N 0.09 0.36 0.00 -0.43 2.35 -0.76 -2.92 115.58 114.27 1h2i h ASN 176 Ca -0.27 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1h2i h ASN 176 Cb 2.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 40.34 1h2i h ASN 176 CO 0.18 0.41 0.00 0.29 -1.65 0.00 0.00 177.43 176.67 1h2i n LYS 177 N -4.34 0.71 -4.30 0.81 5.02 -1.18 -4.70 118.16 110.19 1h2i n LYS 177 Ca 0.01 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.11 1h2i n LYS 177 Cb 0.20 -1.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 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 2.47 -0.36 -0.35 1.43 -1.11 -5.08 118.68 115.69 1h2i s LEU 178 Ca 0.00 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 1h2i s LEU 178 Cb 0.00 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.59 1h2i s LEU 178 CO 0.00 -0.14 0.76 -2.16 0.23 0.00 0.00 176.35 175.04 1h2i s PRO 179 N -3.09 3.77 0.05 1.29 0.04 -1.26 -5.00 135.00 130.79 1h2i s PRO 179 Ca 0.15 0.31 -0.33 0.00 0.04 0.00 0.00 61.00 61.17 1h2i s PRO 179 Cb -0.03 -3.80 -0.17 0.00 0.04 0.00 0.00 34.50 30.54 1h2i s PRO 179 CO 0.05 -0.81 0.82 2.89 0.04 0.00 0.00 177.00 179.98 1h2i n ARG 180 N 6.34 0.00 -3.83 4.56 -4.01 -1.26 -4.89 116.66 113.57 1h2i n ARG 180 Ca 0.02 0.00 -0.36 0.00 -1.04 0.00 0.00 57.85 56.47 1h2i n ARG 180 Cb 0.48 -1.22 -0.13 0.00 -3.04 0.00 0.00 32.46 28.55 1h2i n ARG 180 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 1h2i s GLN 181 N -0.25 2.94 0.31 2.89 1.03 -1.26 -5.08 119.66 120.23 1h2i s GLN 181 Ca 0.75 -0.94 -0.26 0.00 0.04 0.00 0.00 55.36 54.95 1h2i s GLN 181 Cb -1.05 -3.24 -0.15 0.00 0.03 0.00 0.00 33.01 28.60 1h2i s GLN 181 CO 0.51 -0.45 0.62 1.47 -2.54 0.00 0.00 175.29 174.89 1h2i n LEU 182 N 4.78 -0.22 -4.60 2.60 -0.00 -1.26 -4.83 117.00 113.46 1h2i n LEU 182 Ca -0.15 1.05 -0.48 0.00 -0.00 0.00 0.00 56.01 56.43 1h2i n LEU 182 Cb 0.47 -1.08 -0.04 0.00 -0.00 0.00 0.00 43.42 42.77 1h2i n LEU 182 CO 0.30 -2.64 0.80 -0.81 -0.00 0.00 0.00 177.39 175.03 1h2i n PRO 183 N 0.84 1.41 -1.76 1.47 -0.04 -1.26 -4.96 135.00 130.70 1h2i n PRO 183 Ca 0.13 0.50 -0.32 0.00 -0.04 0.00 0.00 63.50 63.77 1h2i n PRO 183 Cb 0.33 -2.05 0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1h2i n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1h2i s LEU 184 N 0.50 3.33 -0.34 1.53 1.43 -1.26 -5.03 118.68 118.84 1h2i s LEU 184 Ca 0.72 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 55.53 1h2i s LEU 184 Cb -0.79 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 40.88 1h2i s LEU 184 CO 0.51 -1.48 0.23 -1.61 0.23 0.00 0.00 176.35 174.24 1h2i s GLU 185 N -4.38 3.43 0.01 1.70 0.41 -1.26 -5.06 118.70 113.56 1h2i s GLU 185 Ca 0.63 -0.68 -0.30 0.00 -0.41 0.00 0.00 54.97 54.20 1h2i s GLU 185 Cb -0.17 -3.79 -0.06 0.00 -1.78 0.00 0.00 34.13 28.33 1h2i s GLU 185 CO 0.44 -0.47 1.48 0.08 -0.49 0.00 0.00 175.26 176.31 1h2i s VAL 186 N 1.70 3.53 -0.97 2.63 1.01 -1.26 -4.95 120.40 122.09 1h2i s VAL 186 Ca 0.06 0.91 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 1h2i s VAL 186 Cb -0.17 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.77 1h2i s VAL 186 CO 0.10 -0.01 1.14 -0.62 0.00 0.00 0.00 175.10 175.71 1h2i s ASP 187 N 2.11 6.73 0.00 3.32 3.68 -1.26 -4.90 116.67 126.35 1h2i s ASP 187 Ca 0.67 -2.30 0.00 0.00 2.13 0.00 0.00 52.55 53.05 1h2i s ASP 187 Cb -0.34 -2.38 0.00 0.00 -1.45 0.00 0.00 42.92 38.76 1h2i s ASP 187 CO 0.28 -0.94 0.85 0.18 0.13 0.00 0.00 175.17 175.67 1h2i n LEU 188 N 6.05 2.54 0.14 -1.34 4.77 -1.26 -4.30 117.00 123.59 1h2i n LEU 188 Ca 0.25 -1.27 -0.06 0.00 -0.03 0.00 0.00 56.01 54.90 1h2i n LEU 188 Cb 0.48 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1h2i n LEU 188 CO 0.50 0.43 0.51 0.74 -1.33 0.00 0.00 177.39 178.24 1h2i h THR 189 N 0.13 0.00 -0.13 -5.08 2.02 -2.03 -3.08 112.91 104.74 1h2i h THR 189 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1h2i h THR 189 Cb 0.85 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1h2i h THR 189 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1h2i n LYS 190 N -2.99 1.42 -1.57 6.66 5.02 -1.26 -4.94 118.16 120.50 1h2i n LYS 190 Ca -0.04 -0.51 -0.52 0.00 -2.02 0.00 0.00 58.31 55.21 1h2i n LYS 190 Cb 0.14 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.05 -1.43 -1.71 7.82 0.00 -1.17 -4.81 120.51 119.17 1h2i n ALA 191 Ca 0.05 0.52 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 1h2i n ALA 191 Cb 0.19 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1h2i n ALA 191 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h2i n LYS 192 N 2.15 2.32 0.00 0.00 4.81 -1.26 -4.91 118.16 121.26 1h2i n LYS 192 Ca 0.18 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1h2i n LYS 192 Cb 0.19 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1h2i n LYS 192 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h2i n ARG 193 N 1.60 4.20 -4.24 1.64 1.74 -1.26 -5.07 116.66 115.26 1h2i n ARG 193 Ca 0.08 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.96 1h2i n ARG 193 Cb 0.35 -0.44 -0.12 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.82 1.00 0.03 5.56 -0.21 -1.26 -5.07 119.66 118.89 1h2i s GLN 194 Ca 0.00 -1.14 -0.25 0.00 0.02 0.00 0.00 55.36 53.99 1h2i s GLN 194 Cb 0.00 -1.03 -0.18 0.00 1.00 0.00 0.00 33.01 32.80 1h2i s GLN 194 CO 0.00 0.22 1.45 -0.44 -2.12 0.00 0.00 175.29 174.40 1h2i h ASP 195 N 3.89 -0.10 -0.87 5.90 3.45 -2.05 -3.45 116.42 123.18 1h2i h ASP 195 Ca -0.42 -0.22 -0.61 0.00 0.43 0.00 0.00 57.03 56.20 1h2i h ASP 195 Cb 1.19 0.03 0.08 0.00 -0.56 0.00 0.00 39.33 40.07 1h2i h ASP 195 CO 0.44 0.17 -0.32 -0.11 -1.57 0.00 0.00 179.24 177.86 1h2i n LEU 196 N -5.02 -0.78 -3.64 1.55 -0.00 -1.26 -4.97 117.00 102.87 1h2i n LEU 196 Ca -0.08 0.99 -0.29 0.00 -0.00 0.00 0.00 56.01 56.63 1h2i n LEU 196 Cb 0.18 -0.82 -0.12 0.00 -0.00 0.00 0.00 43.42 42.65 1h2i n LEU 196 CO 0.33 -2.34 -0.25 -1.61 -0.00 0.00 0.00 177.39 173.52 1h2i s GLU 197 N -0.62 1.22 0.09 1.96 0.41 -1.26 -5.03 118.70 115.46 1h2i s GLU 197 Ca 0.62 -2.02 -0.28 0.00 -0.41 0.00 0.00 54.97 52.88 1h2i s GLU 197 Cb -0.89 -2.14 -0.13 0.00 -1.78 0.00 0.00 34.13 29.19 1h2i s GLU 197 CO 0.49 -1.21 1.65 -1.35 -0.49 0.00 0.00 175.26 174.35 1h2i h PRO 198 N 6.52 -0.52 -0.65 0.39 0.11 -1.99 0.54 132.00 136.40 1h2i h PRO 198 Ca 0.05 0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.31 1h2i h PRO 198 Cb 0.92 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.06 1h2i h PRO 198 CO 0.45 -0.35 0.22 0.66 -0.21 0.00 0.00 178.00 178.77 1h2i h SER 199 N -0.54 0.18 0.16 -2.05 4.64 -2.00 -1.36 113.55 112.58 1h2i h SER 199 Ca -0.01 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1h2i h SER 199 Cb 0.48 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1h2i h SER 199 CO -0.03 0.09 -0.08 0.58 -0.87 0.00 0.00 176.83 176.52 1h2i h VAL 200 N 0.38 0.83 -0.89 0.95 2.07 -1.96 -1.23 116.25 116.40 1h2i h VAL 200 Ca 0.34 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.93 1h2i h VAL 200 Cb 0.47 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1h2i h VAL 200 CO -0.36 0.00 0.55 -0.08 0.02 0.00 0.00 177.57 177.70 1h2i h GLU 201 N -0.23 0.95 0.44 1.57 4.57 -0.43 0.44 114.58 121.89 1h2i h GLU 201 Ca -0.02 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1h2i h GLU 201 Cb 0.18 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1h2i h GLU 201 CO 0.03 0.63 -0.21 1.49 -1.18 0.00 0.00 179.01 179.76 1h2i h GLU 202 N 0.97 -0.57 -0.95 1.92 4.81 -0.96 0.65 114.58 120.45 1h2i h GLU 202 Ca 0.40 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.71 1h2i h GLU 202 Cb 0.24 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1h2i h GLU 202 CO -0.20 -0.37 0.62 0.00 -0.73 0.00 0.00 179.01 178.33 1h2i h ALA 203 N -0.03 1.26 0.00 2.92 0.00 -0.68 -0.88 119.26 121.85 1h2i h ALA 203 Ca -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1h2i h ALA 203 Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h2i h ALA 203 CO 0.10 0.48 -0.18 -0.09 0.00 0.00 0.00 179.25 179.56 1h2i h ARG 204 N 1.18 0.00 -0.13 0.00 2.43 0.41 -2.51 114.38 115.76 1h2i h ARG 204 Ca 0.38 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.40 1h2i h ARG 204 Cb 0.03 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1h2i h ARG 204 CO -0.13 0.18 -0.54 -0.92 -1.51 0.00 0.00 179.97 177.05 1h2i h TYR 205 N 0.00 0.79 0.00 2.20 3.20 0.53 -3.17 116.97 120.53 1h2i h TYR 205 Ca -0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1h2i h TYR 205 Cb 0.36 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1h2i h TYR 205 CO 0.00 1.12 0.00 0.09 -1.64 0.00 0.00 178.16 177.73 1h2i n ASN 206 N -4.18 0.00 0.07 -2.11 3.02 -0.93 -2.67 115.26 108.47 1h2i n ASN 206 Ca -0.08 0.11 -0.05 0.00 -0.03 0.00 0.00 54.58 54.53 1h2i n ASN 206 Cb 0.62 -0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 39.36 1h2i n ASN 206 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h2i h SER 207 N 0.00 0.00 0.00 6.41 4.64 -1.43 -3.10 113.55 120.07 1h2i h SER 207 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h2i h SER 207 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1h2i h SER 207 CO 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 176.83 176.87