#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 -2.87 2.25 0.00 0.00 7.35 -1.26 -1.45 117.46 121.48 1h2i n PHE 26 Ca 0.09 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1h2i n PHE 26 Cb 0.30 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.64 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 2.43 1.99 0.05 7.13 0.00 0.50 -4.85 105.19 112.44 1h2i n GLY 27 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.18 -1.60 1.61 6.02 -0.53 -3.93 117.38 118.14 1h2i n GLN 28 Ca 0.00 -1.08 -0.29 0.00 -0.01 0.00 0.00 57.00 55.62 1h2i n GLN 28 Cb 0.00 -1.02 0.13 0.00 1.02 0.00 0.00 30.24 30.37 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 -5.33 0.45 0.28 0.00 0.74 -1.26 -4.26 119.66 110.29 1h2i s GLN 30 Ca 0.63 -0.21 -0.29 0.00 0.05 0.00 0.00 55.36 55.55 1h2i s GLN 30 Cb -0.14 -0.44 -0.09 0.00 1.10 0.00 0.00 33.01 33.44 1h2i s GLN 30 CO 0.52 0.12 1.04 0.71 -0.55 0.00 0.00 175.29 177.13 1h2i s TYR 31 N -0.15 3.67 0.60 1.67 1.51 -1.26 -5.01 117.35 118.38 1h2i s TYR 31 Ca 0.02 1.76 -0.16 0.00 -1.01 0.00 0.00 57.07 57.68 1h2i s TYR 31 Cb -0.02 -3.16 -0.03 0.00 -0.11 0.00 0.00 41.96 38.63 1h2i s TYR 31 CO -0.00 -0.23 1.08 0.95 -1.11 0.00 0.00 175.55 176.24 1h2i s THR 32 N -1.24 3.59 0.30 -0.71 -4.23 -1.26 -4.81 115.64 107.28 1h2i s THR 32 Ca 0.45 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 1h2i s THR 32 Cb -0.29 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.55 1h2i s THR 32 CO 0.36 -0.41 1.83 0.00 -0.54 0.00 0.00 174.62 175.86 1h2i h ALA 33 N 0.47 1.62 -0.05 3.99 0.00 -1.99 -0.36 119.26 122.94 1h2i h ALA 33 Ca -0.47 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1h2i h ALA 33 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h2i h ALA 33 CO 0.57 0.10 0.01 1.49 0.00 0.00 0.00 179.25 181.42 1h2i h GLU 34 N 0.88 0.09 -0.46 0.00 4.81 -1.99 -0.44 114.58 117.47 1h2i h GLU 34 Ca 0.51 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.63 1h2i h GLU 34 Cb 0.63 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1h2i h GLU 34 CO -0.28 0.31 -0.05 1.49 -0.73 0.00 0.00 179.01 179.76 1h2i h GLU 35 N -0.14 0.84 -0.20 1.92 4.81 -1.81 -1.84 114.58 118.15 1h2i h GLU 35 Ca 0.02 -0.29 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1h2i h GLU 35 Cb 0.26 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1h2i h GLU 35 CO 0.00 0.92 -0.08 -0.92 -0.73 0.00 0.00 179.01 178.20 1h2i h TYR 36 N 0.68 -0.18 -0.71 0.92 3.20 -0.98 -0.91 116.97 118.99 1h2i h TYR 36 Ca 0.12 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1h2i h TYR 36 Cb 0.57 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1h2i h TYR 36 CO 0.04 -0.13 0.29 0.37 -1.64 0.00 0.00 178.16 177.10 1h2i h GLN 37 N -0.05 1.05 -0.60 1.82 4.15 -0.93 -0.19 115.11 120.37 1h2i h GLN 37 Ca 0.10 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1h2i h GLN 37 Cb 0.20 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1h2i h GLN 37 CO -0.23 0.86 0.27 0.00 -1.93 0.00 0.00 178.83 177.80 1h2i h ALA 38 N 1.14 0.77 -0.30 3.38 0.00 -0.98 -2.72 119.26 120.54 1h2i h ALA 38 Ca 0.24 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1h2i h ALA 38 Cb 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h2i h ALA 38 CO -0.02 0.35 -0.47 0.82 0.00 0.00 0.00 179.25 179.94 1h2i h ILE 39 N 0.82 1.28 -0.54 0.00 2.04 -0.88 -0.54 117.51 119.68 1h2i h ILE 39 Ca 0.20 -1.65 0.10 0.00 1.00 0.00 0.00 64.86 64.51 1h2i h ILE 39 Cb 0.15 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1h2i h ILE 39 CO -0.02 0.54 0.10 1.56 0.00 0.00 0.00 178.15 180.33 1h2i h GLN 40 N 0.63 0.23 0.35 2.37 1.08 -0.94 0.69 115.11 119.53 1h2i h GLN 40 Ca 0.03 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1h2i h GLN 40 Cb 1.07 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1h2i h GLN 40 CO 0.11 0.15 -0.17 0.87 -0.95 0.00 0.00 178.83 178.84 1h2i h LYS 41 N 0.23 -0.46 -0.99 1.46 1.57 -1.41 -3.15 116.57 113.83 1h2i h LYS 41 Ca 0.28 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.27 1h2i h LYS 41 Cb 0.40 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 1h2i h LYS 41 CO -0.37 -0.15 0.61 0.00 -0.57 0.00 0.00 179.45 178.98 1h2i h ALA 42 N -0.31 1.72 0.00 3.86 0.00 -0.78 -0.81 119.26 122.95 1h2i h ALA 42 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1h2i h ALA 42 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h2i h ALA 42 CO 0.08 -0.05 -0.06 -0.07 0.00 0.00 0.00 179.25 179.15 1h2i h LEU 43 N 0.77 0.00 -1.36 0.00 3.38 -0.83 -2.78 115.31 114.50 1h2i h LEU 43 Ca 0.55 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.47 1h2i h LEU 43 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1h2i h LEU 43 CO -0.33 0.06 -0.23 0.03 0.09 0.00 0.00 178.44 178.06 1h2i h ARG 44 N 0.00 0.00 -6.85 1.13 3.08 -1.15 0.12 114.38 110.70 1h2i h ARG 44 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1h2i h ARG 44 Cb 0.24 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.40 1h2i h ARG 44 CO 0.01 0.23 0.70 1.04 -1.07 0.00 0.00 179.97 180.88 1h2i n GLN 45 N -3.54 2.50 -3.13 0.04 6.02 -1.05 -4.61 117.38 113.61 1h2i n GLN 45 Ca -0.01 0.88 -0.30 0.00 -0.01 0.00 0.00 57.00 57.56 1h2i n GLN 45 Cb 0.38 -2.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.03 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 -1.80 3.78 0.10 -1.09 1.81 -1.26 -0.57 118.95 119.92 1h2i s ARG 46 Ca 0.56 0.35 -0.07 0.00 -1.72 0.00 0.00 55.73 54.84 1h2i s ARG 46 Cb -0.51 -2.51 -0.06 0.00 -0.45 0.00 0.00 34.95 31.43 1h2i s ARG 46 CO 0.61 0.12 0.38 -0.48 -0.68 0.00 0.00 175.30 175.25 1h2i s LEU 47 N -3.44 4.32 1.04 2.53 2.34 -1.26 -4.91 118.68 119.29 1h2i s LEU 47 Ca 0.49 0.68 -0.13 0.00 0.06 0.00 0.00 54.13 55.23 1h2i s LEU 47 Cb -0.11 -3.08 0.21 0.00 -0.56 0.00 0.00 46.19 42.65 1h2i s LEU 47 CO 0.27 0.13 1.09 -0.83 -1.06 0.00 0.00 176.35 175.95 1h2i s GLY 48 N -2.03 1.56 0.61 -3.48 0.00 -1.26 -4.91 107.32 97.82 1h2i s GLY 48 Ca 0.36 -0.44 0.30 0.00 0.00 0.00 0.00 44.72 44.93 1h2i s GLY 48 CO 0.20 0.22 2.02 -2.55 0.00 0.00 0.00 173.10 172.99 1h2i h PRO 49 N -2.05 0.00 0.00 2.90 0.11 -1.95 -1.85 132.00 129.15 1h2i h PRO 49 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 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 0.55 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 1h2i n GLU 50 N -3.52 0.11 -0.11 1.05 0.00 -1.26 -2.85 120.64 114.05 1h2i n GLU 50 Ca 0.02 0.21 -0.14 0.00 0.00 0.00 0.00 57.16 57.25 1h2i n GLU 50 Cb 0.42 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.22 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 -1.38 0.00 -2.64 -1.84 4.02 -0.70 -4.98 117.16 109.65 1h2i n TYR 51 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1h2i n TYR 51 Cb 0.13 -0.98 -0.03 0.00 -0.02 0.00 0.00 39.34 38.44 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 -2.50 4.61 0.34 -0.72 -1.09 -1.13 -4.43 121.20 116.28 1h2i s ILE 52 Ca -0.24 1.90 0.04 0.00 -2.23 0.00 0.00 60.65 60.13 1h2i s ILE 52 Cb 0.08 -4.22 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 1h2i s ILE 52 CO 0.69 0.16 0.05 -0.94 -1.23 0.00 0.00 174.94 173.67 1h2i s SER 53 N 0.92 2.64 0.11 3.58 1.04 -0.36 -4.98 113.70 116.65 1h2i s SER 53 Ca 0.53 -1.39 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 1h2i s SER 53 Cb -0.23 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1h2i s SER 53 CO 0.29 -0.60 0.20 -0.94 0.98 0.00 0.00 173.24 173.17 1h2i s SER 54 N -3.53 0.13 0.19 7.02 1.04 -1.26 -1.03 113.70 116.25 1h2i s SER 54 Ca 0.36 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 1h2i s SER 54 Cb 0.09 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1h2i s SER 54 CO 0.16 -0.76 0.19 0.00 0.98 0.00 0.00 173.24 173.80 1h2i s ARG 55 N -3.90 1.20 -0.27 4.02 1.70 -0.71 -4.95 118.95 116.05 1h2i s ARG 55 Ca 0.09 -1.49 -0.17 0.00 -0.47 0.00 0.00 55.73 53.69 1h2i s ARG 55 Cb 0.05 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.08 -0.41 0.47 -1.64 -1.08 0.00 0.00 175.30 172.56 1h2i s MET 56 N -4.10 4.04 0.72 3.89 -1.94 -1.26 -1.27 119.30 119.39 1h2i s MET 56 Ca 0.31 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.41 1h2i s MET 56 Cb 0.06 -3.66 0.02 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.08 -0.34 1.08 0.00 -0.01 0.00 0.00 175.02 175.83 1h2i s ALA 57 N 2.24 2.63 0.36 3.03 0.00 0.13 -4.88 121.76 125.28 1h2i s ALA 57 Ca 0.19 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1h2i s ALA 57 Cb -0.16 -3.11 0.80 0.00 0.00 0.00 0.00 23.12 20.66 1h2i s ALA 57 CO 0.09 -1.31 1.92 0.78 0.00 0.00 0.00 175.76 177.24 1h2i h GLY 58 N -0.78 1.04 -0.72 0.00 0.00 -1.98 0.25 103.07 100.88 1h2i h GLY 58 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1h2i h GLY 58 CO 0.60 0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1h2i n GLY 59 N -1.45 0.47 3.54 4.60 0.00 -1.26 -4.74 105.19 106.36 1h2i n GLY 59 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 0.17 -0.54 3.08 -0.02 0.00 0.07 -4.99 105.19 102.96 1h2i n GLY 60 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.26 1.04 0.33 1.61 -2.07 -1.20 -4.89 119.66 108.21 1h2i s GLN 61 Ca 0.56 -0.44 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 1h2i s GLN 61 Cb -0.25 -0.99 -0.11 0.00 -1.09 0.00 0.00 33.01 30.57 1h2i s GLN 61 CO 0.69 0.25 1.53 0.21 -1.32 0.00 0.00 175.29 176.66 1h2i s LYS 62 N -0.23 4.13 -0.09 9.60 2.20 -1.26 0.20 119.74 134.28 1h2i s LYS 62 Ca 0.04 2.56 -0.01 0.00 -0.36 0.00 0.00 55.97 58.20 1h2i s LYS 62 Cb -0.05 -3.00 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1h2i s LYS 62 CO -0.00 -0.57 -0.05 0.08 -0.36 0.00 0.00 175.35 174.45 1h2i s VAL 63 N -0.52 0.78 0.17 4.02 1.01 -0.39 -4.85 120.40 120.61 1h2i s VAL 63 Ca 0.58 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1h2i s VAL 63 Cb -0.47 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 1h2i s VAL 63 CO 0.55 0.32 0.51 0.00 0.00 0.00 0.00 175.10 176.48 1h2i s TYR 65 N -1.61 -0.22 -0.06 0.00 -0.85 -0.20 -4.99 117.35 109.42 1h2i s TYR 65 Ca 0.41 -0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.89 1h2i s TYR 65 Cb -0.13 0.64 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 1h2i s TYR 65 CO 0.20 -0.92 -0.14 0.42 -1.52 0.00 0.00 175.55 173.59 1h2i s ILE 66 N -3.51 3.04 0.26 -3.49 1.01 -1.26 -1.22 121.20 116.03 1h2i s ILE 66 Ca 0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1h2i s ILE 66 Cb -0.03 -2.20 -0.09 0.00 0.01 0.00 0.00 42.46 40.15 1h2i s ILE 66 CO 0.01 0.58 1.09 -1.61 0.00 0.00 0.00 174.94 175.01 1h2i s GLU 67 N -0.57 4.65 0.26 2.79 2.02 -1.26 -4.91 118.70 121.68 1h2i s GLU 67 Ca 0.08 1.77 -0.07 0.00 0.02 0.00 0.00 54.97 56.77 1h2i s GLU 67 Cb -0.11 -3.21 0.46 0.00 0.10 0.00 0.00 34.13 31.37 1h2i s GLU 67 CO 0.01 0.22 1.59 0.78 0.02 0.00 0.00 175.26 177.88 1h2i h GLY 68 N 4.02 0.77 2.00 -1.39 0.00 -1.98 0.11 103.07 106.59 1h2i h GLY 68 Ca -0.46 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1h2i h GLY 68 CO 0.68 -0.36 -0.08 1.12 0.00 0.00 0.00 176.54 177.89 1h2i h HIS 69 N 0.02 0.00 -0.19 5.60 2.07 -1.99 0.44 115.15 121.09 1h2i h HIS 69 Ca 0.45 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.76 1h2i h HIS 69 Cb 0.76 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.74 1h2i h HIS 69 CO -0.61 0.08 -0.70 0.00 -3.07 0.00 0.00 177.93 173.63 1h2i h ARG 70 N 0.00 0.77 -0.56 5.12 2.47 -1.18 -2.40 114.38 118.60 1h2i h ARG 70 Ca -0.00 -0.58 -0.04 0.00 -1.26 0.00 0.00 59.98 58.10 1h2i h ARG 70 Cb 0.16 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1h2i h ARG 70 CO 0.01 1.20 0.20 0.28 0.56 0.00 0.00 179.97 182.22 1h2i h VAL 71 N 0.55 1.23 -0.70 2.04 2.07 -0.71 0.91 116.25 121.64 1h2i h VAL 71 Ca -0.03 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1h2i h VAL 71 Cb 1.31 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1h2i h VAL 71 CO 0.14 0.28 0.46 0.40 0.02 0.00 0.00 177.57 178.88 1h2i h ILE 72 N 0.77 1.18 -0.11 4.57 2.04 -0.90 0.61 117.51 125.67 1h2i h ILE 72 Ca 0.18 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.57 1h2i h ILE 72 Cb 0.24 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1h2i h ILE 72 CO -0.01 0.17 -0.60 0.78 0.00 0.00 0.00 178.15 178.49 1h2i h ASN 73 N 0.94 0.40 -0.33 1.72 2.35 -1.06 -0.02 115.58 119.59 1h2i h ASN 73 Ca 0.26 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1h2i h ASN 73 Cb -0.11 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1h2i h ASN 73 CO -0.06 0.91 0.21 -0.07 -1.65 0.00 0.00 177.43 176.77 1h2i h LEU 74 N 0.27 0.40 0.09 1.61 3.38 -0.11 -1.67 115.31 119.27 1h2i h LEU 74 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h2i h LEU 74 Cb 1.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1h2i h LEU 74 CO 0.10 0.31 -0.08 0.00 0.09 0.00 0.00 178.44 178.86 1h2i h ALA 75 N 1.10 -0.17 -0.88 1.53 0.00 -0.57 0.26 119.26 120.53 1h2i h ALA 75 Ca 0.12 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1h2i h ALA 75 Cb -0.02 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1h2i h ALA 75 CO -0.02 -0.61 0.57 -0.91 0.00 0.00 0.00 179.25 178.28 1h2i h ASN 76 N -0.19 0.90 1.23 0.00 2.35 -0.82 -0.61 115.58 118.43 1h2i h ASN 76 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1h2i h ASN 76 Cb 0.18 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1h2i h ASN 76 CO -0.02 0.59 -0.73 -0.33 -1.65 0.00 0.00 177.43 175.29 1h2i h GLU 77 N 1.02 0.00 0.12 0.81 4.39 -1.08 0.23 114.58 120.07 1h2i h GLU 77 Ca 0.37 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.77 1h2i h GLU 77 Cb 0.15 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1h2i h GLU 77 CO -0.13 0.73 -1.25 1.98 -1.16 0.00 0.00 179.01 179.18 1h2i h MET 78 N 0.00 0.62 0.00 2.33 4.05 -0.35 -3.39 114.93 118.19 1h2i h MET 78 Ca -0.01 -0.83 0.00 0.00 -0.28 0.00 0.00 59.70 58.59 1h2i h MET 78 Cb 1.55 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 32.62 1h2i h MET 78 CO 0.10 1.38 -0.59 1.19 0.23 0.00 0.00 176.91 179.21 1h2i n PHE 79 N -3.78 0.00 0.00 1.39 3.72 -0.29 -4.98 117.46 113.52 1h2i n PHE 79 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1h2i n PHE 79 Cb 0.99 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 1.46 1.69 0.37 1.37 0.00 0.79 -3.34 105.19 107.54 1h2i n GLY 80 Ca 0.00 -1.62 0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.36 1.61 -0.00 -1.89 0.19 116.97 116.51 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 -3.77 4.12 -0.18 0.10 2.04 -1.26 -4.53 115.26 111.77 1h2i n ASN 82 Ca 0.06 -2.80 0.09 0.00 -0.44 0.00 0.00 54.58 51.49 1h2i n ASN 82 Cb 0.54 -0.52 -0.06 0.00 -2.53 0.00 0.00 39.78 37.21 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 -0.02 -0.39 3.13 4.83 0.00 0.67 -4.72 105.19 108.69 1h2i n GLY 83 Ca 0.21 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.46 0.27 0.21 1.61 1.48 -1.25 -1.10 118.94 117.69 1h2i s TRP 84 Ca 0.11 -0.67 -0.15 0.00 -1.06 0.00 0.00 56.10 54.33 1h2i s TRP 84 Cb 0.14 -0.18 0.01 0.00 -1.16 0.00 0.00 33.47 32.28 1h2i s TRP 84 CO 0.63 -0.41 0.47 0.00 -4.06 0.00 0.00 176.95 173.57 1h2i s ALA 85 N -3.27 -0.55 -0.04 2.67 0.00 0.13 -4.96 121.76 115.74 1h2i s ALA 85 Ca 0.01 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1h2i s ALA 85 Cb 0.03 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.10 1h2i s ALA 85 CO -0.08 -0.80 0.43 -3.38 0.00 0.00 0.00 175.76 171.93 1h2i s HIS 86 N -3.94 -0.35 0.12 0.00 -3.43 -1.26 0.48 115.29 106.92 1h2i s HIS 86 Ca 0.15 0.60 0.01 0.00 -0.80 0.00 0.00 55.06 55.02 1h2i s HIS 86 Cb -0.00 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1h2i s HIS 86 CO 0.02 -0.44 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.75 1h2i s SER 87 N -1.16 1.02 -0.47 7.38 1.04 0.12 -4.97 113.70 116.67 1h2i s SER 87 Ca -0.12 -1.09 -0.17 0.00 0.48 0.00 0.00 55.95 55.06 1h2i s SER 87 Cb -0.04 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1h2i s SER 87 CO 0.06 -0.54 0.48 -0.63 0.98 0.00 0.00 173.24 173.59 1h2i s ILE 88 N -3.70 5.07 0.32 -1.02 1.01 -1.26 -0.72 121.20 120.89 1h2i s ILE 88 Ca 0.17 -0.65 0.12 0.00 0.00 0.00 0.00 60.65 60.30 1h2i s ILE 88 Cb 0.06 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.42 1h2i s ILE 88 CO -0.01 -0.61 1.74 0.71 0.00 0.00 0.00 174.94 176.77 1h2i h THR 89 N 5.78 1.31 -1.31 2.92 1.35 -1.02 -3.46 112.91 118.47 1h2i h THR 89 Ca -0.27 -1.62 0.15 0.00 -0.55 0.00 0.00 66.41 64.11 1h2i h THR 89 Cb 1.11 1.88 -0.27 0.00 -1.73 0.00 0.00 68.15 69.13 1h2i h THR 89 CO 0.88 0.46 0.72 -1.58 -0.25 0.00 0.00 175.52 175.75 1h2i s GLN 90 N -3.93 0.31 -0.09 4.72 0.74 -1.20 -4.99 119.66 115.22 1h2i s GLN 90 Ca -0.02 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.57 1h2i s GLN 90 Cb 0.13 0.15 0.02 0.00 1.10 0.00 0.00 33.01 34.41 1h2i s GLN 90 CO 0.74 -0.07 -0.08 -1.14 -0.55 0.00 0.00 175.29 174.18 1h2i s GLN 91 N -0.58 1.43 -0.09 1.67 0.74 -1.26 0.04 119.66 121.60 1h2i s GLN 91 Ca 0.04 -0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.23 1h2i s GLN 91 Cb -0.02 -1.41 0.01 0.00 1.10 0.00 0.00 33.01 32.68 1h2i s GLN 91 CO -0.06 -0.17 -0.18 1.21 -0.55 0.00 0.00 175.29 175.54 1h2i s ASN 92 N 1.36 2.52 -0.39 6.67 3.84 0.12 -4.99 114.94 124.06 1h2i s ASN 92 Ca -0.02 -0.45 -0.26 0.00 0.21 0.00 0.00 52.86 52.34 1h2i s ASN 92 Cb -0.14 -1.15 0.02 0.00 -0.55 0.00 0.00 41.25 39.43 1h2i s ASN 92 CO -0.04 0.08 0.96 -0.69 -2.79 0.00 0.00 177.10 174.62 1h2i s VAL 93 N 0.65 4.52 0.14 -5.21 1.01 -1.26 -1.31 120.40 118.94 1h2i s VAL 93 Ca -0.13 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 1h2i s VAL 93 Cb -0.16 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1h2i s VAL 93 CO 0.04 -0.63 1.47 0.44 0.00 0.00 0.00 175.10 176.41 1h2i h ASP 94 N 8.63 1.00 -3.90 3.32 3.45 -1.31 -3.48 116.42 124.13 1h2i h ASP 94 Ca -0.23 -0.47 0.17 0.00 0.43 0.00 0.00 57.03 56.93 1h2i h ASP 94 Cb 1.07 -0.28 -0.23 0.00 -0.56 0.00 0.00 39.33 39.33 1h2i h ASP 94 CO 1.01 1.27 0.72 0.72 -1.57 0.00 0.00 179.24 181.38 1h2i s PHE 95 N -4.36 -0.22 -0.29 4.55 -0.12 -1.20 -4.99 117.98 111.35 1h2i s PHE 95 Ca -0.11 0.32 -0.02 0.00 -0.05 0.00 0.00 56.93 57.07 1h2i s PHE 95 Cb 0.11 0.48 0.09 0.00 -0.63 0.00 0.00 43.02 43.08 1h2i s PHE 95 CO 0.88 -0.24 0.09 0.08 -0.05 0.00 0.00 175.22 175.99 1h2i s VAL 96 N -1.52 0.60 -0.08 -2.49 1.01 -1.26 -2.39 120.40 114.27 1h2i s VAL 96 Ca 0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1h2i s VAL 96 Cb -0.01 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1h2i s VAL 96 CO -0.03 -0.61 -0.04 -1.81 0.00 0.00 0.00 175.10 172.61 1h2i s ASP 97 N 1.77 4.91 -0.32 3.32 1.01 0.18 -4.94 116.67 122.60 1h2i s ASP 97 Ca 0.08 0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.36 1h2i s ASP 97 Cb -0.17 -1.32 0.06 0.00 1.01 0.00 0.00 42.92 42.50 1h2i s ASP 97 CO -0.25 0.37 0.04 -0.22 0.21 0.00 0.00 175.17 175.32 1h2i s LEU 98 N -0.82 4.13 0.00 1.23 2.96 -1.26 0.72 118.68 125.64 1h2i s LEU 98 Ca 0.12 -1.35 0.07 0.00 -0.22 0.00 0.00 54.13 52.76 1h2i s LEU 98 Cb -0.11 -1.75 0.13 0.00 0.50 0.00 0.00 46.19 44.95 1h2i s LEU 98 CO 0.02 -0.30 0.94 0.59 -1.32 0.00 0.00 176.35 176.27 1h2i n ASN 99 N 4.64 2.08 0.00 3.68 5.03 -0.86 -4.97 115.26 124.87 1h2i n ASN 99 Ca -0.12 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.70 1h2i n ASN 99 Cb 0.43 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 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 0.29 0.00 0.00 6.41 3.02 -1.26 -4.91 115.26 118.81 1h2i n ASN 100 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1h2i n ASN 100 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 2.67 3.59 7.41 0.00 -1.26 -5.03 105.19 112.57 1h2i n GLY 101 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.94 2.14 -0.07 1.61 1.02 -1.26 -4.48 119.74 117.76 1h2i s LYS 102 Ca 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 1h2i s LYS 102 Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1h2i s LYS 102 CO 0.00 0.46 0.05 -0.06 -0.92 0.00 0.00 175.35 174.87 1h2i s PHE 103 N -1.59 3.28 -0.22 3.18 0.40 0.36 -2.03 117.98 121.37 1h2i s PHE 103 Ca 0.24 0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.85 1h2i s PHE 103 Cb -0.09 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.68 1h2i s PHE 103 CO 0.15 0.55 -0.13 0.71 0.70 0.00 0.00 175.22 177.20 1h2i s TYR 104 N -1.00 2.84 -0.05 0.36 1.51 0.22 -1.42 117.35 119.82 1h2i s TYR 104 Ca 0.16 -1.90 0.04 0.00 -1.01 0.00 0.00 57.07 54.36 1h2i s TYR 104 Cb -0.12 -1.82 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1h2i s TYR 104 CO 0.06 -0.81 -0.16 0.08 -1.11 0.00 0.00 175.55 173.60 1h2i s VAL 105 N 1.25 1.37 -0.11 0.71 1.01 0.36 -0.64 120.40 124.34 1h2i s VAL 105 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1h2i s VAL 105 Cb -0.17 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1h2i s VAL 105 CO -0.08 0.40 -0.14 -0.83 0.00 0.00 0.00 175.10 174.45 1h2i s GLY 106 N 0.16 0.99 0.01 4.51 0.00 -1.00 -1.68 107.32 110.31 1h2i s GLY 106 Ca -0.06 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1h2i s GLY 106 CO 0.03 0.34 -0.11 0.14 0.00 0.00 0.00 173.10 173.50 1h2i s VAL 107 N 1.13 0.89 0.09 1.40 1.01 0.20 -0.75 120.40 124.36 1h2i s VAL 107 Ca -0.04 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1h2i s VAL 107 Cb -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1h2i s VAL 107 CO -0.03 0.13 -0.26 0.00 0.00 0.00 0.00 175.10 174.94 1h2i s ALA 109 N -0.95 1.02 -0.28 0.00 0.00 -0.34 -0.70 121.76 120.50 1h2i s ALA 109 Ca 0.12 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 1h2i s ALA 109 Cb -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1h2i s ALA 109 CO 0.04 0.24 0.06 -0.06 0.00 0.00 0.00 175.76 176.04 1h2i s PHE 110 N -0.23 3.13 -0.13 0.00 0.40 0.11 -0.43 117.98 120.82 1h2i s PHE 110 Ca 0.04 -0.97 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 1h2i s PHE 110 Cb -0.05 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1h2i s PHE 110 CO -0.00 -0.57 -0.08 0.08 0.70 0.00 0.00 175.22 175.36 1h2i s VAL 111 N 1.50 3.56 -0.24 -0.44 1.01 -0.47 -0.30 120.40 125.01 1h2i s VAL 111 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1h2i s VAL 111 Cb -0.17 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1h2i s VAL 111 CO 0.02 0.52 -0.03 -0.60 0.00 0.00 0.00 175.10 175.01 1h2i s ARG 112 N 0.20 3.15 -0.07 2.72 3.52 0.10 -1.56 118.95 127.01 1h2i s ARG 112 Ca -0.04 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1h2i s ARG 112 Cb -0.14 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1h2i s ARG 112 CO 0.04 -0.30 0.03 0.54 -0.81 0.00 0.00 175.30 174.79 1h2i s VAL 113 N 1.43 4.51 0.03 7.11 0.11 -0.32 -0.70 120.40 132.57 1h2i s VAL 113 Ca 0.03 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1h2i s VAL 113 Cb -0.15 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 1h2i s VAL 113 CO -0.03 0.54 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.61 1h2i s GLN 114 N -1.12 0.60 0.36 1.54 0.74 0.18 -1.53 119.66 120.43 1h2i s GLN 114 Ca 0.16 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.97 1h2i s GLN 114 Cb -0.12 -0.49 -0.02 0.00 1.10 0.00 0.00 33.01 33.48 1h2i s GLN 114 CO 0.05 0.11 0.55 -0.51 -0.55 0.00 0.00 175.29 174.95 1h2i s LEU 115 N -1.11 3.94 0.64 3.68 1.02 -0.14 0.19 118.68 126.90 1h2i s LEU 115 Ca -0.04 0.28 0.34 0.00 0.02 0.00 0.00 54.13 54.73 1h2i s LEU 115 Cb -0.07 -3.15 1.84 0.00 0.02 0.00 0.00 46.19 44.83 1h2i s LEU 115 CO 0.01 -0.40 2.03 0.07 0.02 0.00 0.00 176.35 178.07 1h2i h LYS 116 N 0.71 0.00 -0.40 1.70 2.10 -1.40 0.12 116.57 119.40 1h2i h LYS 116 Ca -0.48 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.08 1h2i h LYS 116 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1h2i h LYS 116 CO 0.59 0.00 -0.10 0.22 -2.00 0.00 0.00 179.45 178.16 1h2i h ASP 117 N 0.00 0.69 0.00 7.07 -0.00 -1.84 0.16 116.42 122.50 1h2i h ASP 117 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 1h2i h ASP 117 Cb 0.42 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1h2i h ASP 117 CO 0.00 0.82 0.00 0.61 -0.00 0.00 0.00 179.24 180.67 1h2i n GLY 118 N -0.51 2.59 3.75 -0.78 0.00 0.40 -4.61 105.19 106.04 1h2i n GLY 118 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.53 5.10 0.17 1.61 1.04 -1.26 -4.78 113.70 114.05 1h2i s SER 119 Ca 0.00 2.35 -0.22 0.00 0.48 0.00 0.00 55.95 58.56 1h2i s SER 119 Cb 0.00 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1h2i s SER 119 CO 0.00 -1.65 0.59 -0.72 0.98 0.00 0.00 173.24 172.44 1h2i s TYR 120 N -1.69 -0.44 -0.08 5.02 -0.85 -1.26 -0.96 117.35 117.09 1h2i s TYR 120 Ca 0.76 0.18 -0.07 0.00 -0.52 0.00 0.00 57.07 57.42 1h2i s TYR 120 Cb -0.29 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.61 1h2i s TYR 120 CO 0.35 -0.89 0.21 -1.01 -1.52 0.00 0.00 175.55 172.68 1h2i s HIS 121 N -3.78 -0.23 0.01 -3.49 3.76 -0.58 -5.01 115.29 105.96 1h2i s HIS 121 Ca 0.03 0.57 0.06 0.00 -0.15 0.00 0.00 55.06 55.57 1h2i s HIS 121 Cb -0.01 0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.73 1h2i s HIS 121 CO -0.10 -0.12 -0.19 -2.00 -0.85 0.00 0.00 174.74 171.48 1h2i s GLU 122 N 0.23 1.46 0.23 1.40 2.12 -1.26 -1.17 118.70 121.71 1h2i s GLU 122 Ca -0.01 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.45 1h2i s GLU 122 Cb -0.02 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.88 1h2i s GLU 122 CO -0.01 0.39 0.39 0.34 -0.54 0.00 0.00 175.26 175.84 1h2i s ASP 123 N -0.73 -0.03 0.07 -1.70 -1.08 -0.60 -4.87 116.67 107.73 1h2i s ASP 123 Ca 0.07 -1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 51.02 1h2i s ASP 123 Cb -0.08 0.53 -0.05 0.00 -1.46 0.00 0.00 42.92 41.86 1h2i s ASP 123 CO 0.00 -1.06 0.34 0.68 0.52 0.00 0.00 175.17 175.65 1h2i s VAL 124 N -4.04 5.20 0.19 1.11 -7.23 -1.26 -1.37 120.40 113.00 1h2i s VAL 124 Ca 0.25 0.17 0.09 0.00 -1.81 0.00 0.00 61.98 60.68 1h2i s VAL 124 Cb 0.01 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1h2i s VAL 124 CO 0.09 0.23 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.09 1h2i s GLY 125 N -2.00 1.47 0.05 2.32 0.00 0.42 -4.52 107.32 105.07 1h2i s GLY 125 Ca 0.34 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.52 1h2i s GLY 125 CO 0.20 -1.64 -0.13 -0.47 0.00 0.00 0.00 173.10 171.05 1h2i s TYR 126 N -2.28 1.15 -0.05 1.90 5.04 -1.26 -1.20 117.35 120.65 1h2i s TYR 126 Ca 0.19 -0.38 0.03 0.00 -2.44 0.00 0.00 57.07 54.47 1h2i s TYR 126 Cb -0.05 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.59 1h2i s TYR 126 CO 0.08 0.03 -0.15 0.20 -1.34 0.00 0.00 175.55 174.37 1h2i s GLY 127 N -1.29 0.84 0.01 8.97 0.00 0.19 -3.80 107.32 112.23 1h2i s GLY 127 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1h2i s GLY 127 CO 0.01 -0.18 -0.13 0.14 0.00 0.00 0.00 173.10 172.95 1h2i s VAL 128 N 0.25 0.99 -0.15 1.40 1.01 -1.26 -0.63 120.40 122.02 1h2i s VAL 128 Ca -0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1h2i s VAL 128 Cb -0.12 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.46 1h2i s VAL 128 CO 0.03 0.17 0.14 -0.55 0.00 0.00 0.00 175.10 174.89 1h2i s SER 129 N -0.57 1.61 -0.10 3.32 0.15 -0.67 -4.55 113.70 112.89 1h2i s SER 129 Ca 0.03 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1h2i s SER 129 Cb -0.06 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1h2i s SER 129 CO 0.00 -0.31 -0.15 -1.61 1.20 0.00 0.00 173.24 172.37 1h2i s GLU 130 N 2.23 2.18 0.00 5.44 2.02 -1.26 -0.49 118.70 128.81 1h2i s GLU 130 Ca 0.04 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1h2i s GLU 130 Cb -0.15 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.27 1h2i s GLU 130 CO -0.08 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1h2i n GLY 131 N 4.04 2.94 3.76 -1.39 0.00 -0.51 -5.00 105.19 109.03 1h2i n GLY 131 Ca -0.20 0.00 -0.31 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 2.84 -0.00 0.99 1.43 -1.26 -4.59 118.68 118.10 1h2i s LEU 132 Ca 0.00 1.73 0.21 0.00 -1.03 0.00 0.00 54.13 55.04 1h2i s LEU 132 Cb 0.00 -4.36 -0.22 0.00 0.03 0.00 0.00 46.19 41.63 1h2i s LEU 132 CO 0.00 -2.17 0.88 0.29 0.23 0.00 0.00 176.35 175.58 1h2i n LYS 133 N -3.60 0.05 -3.21 1.70 5.02 -1.26 -0.49 118.16 116.38 1h2i n LYS 133 Ca 0.08 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1h2i n LYS 133 Cb 0.54 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 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 -3.12 6.46 0.05 4.39 0.15 -1.26 -4.82 113.70 115.54 1h2i s SER 134 Ca 0.07 0.55 -0.25 0.00 0.70 0.00 0.00 55.95 57.02 1h2i s SER 134 Cb 0.16 -2.29 -0.17 0.00 -1.71 0.00 0.00 66.02 62.00 1h2i s SER 134 CO 0.87 -0.31 1.53 0.50 1.20 0.00 0.00 173.24 177.02 1h2i h LYS 135 N 8.00 -0.14 -0.11 5.44 3.64 -1.98 -1.29 116.57 130.13 1h2i h LYS 135 Ca -0.28 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1h2i h LYS 135 Cb 1.14 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1h2i h LYS 135 CO 0.73 0.07 -0.23 0.00 -2.27 0.00 0.00 179.45 177.75 1h2i h ALA 136 N 0.54 -0.22 -0.27 5.00 0.00 -1.99 0.11 119.26 122.43 1h2i h ALA 136 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1h2i h ALA 136 Cb 0.27 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1h2i h ALA 136 CO 0.02 -0.69 0.09 -0.07 0.00 0.00 0.00 179.25 178.60 1h2i h LEU 137 N -0.30 0.34 -0.05 0.00 -0.00 -1.96 -0.12 115.31 113.21 1h2i h LEU 137 Ca 0.09 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 137 Cb 0.44 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1h2i h LEU 137 CO -0.28 0.33 -0.04 0.28 -0.00 0.00 0.00 178.44 178.73 1h2i h SER 138 N 0.38 0.13 -0.42 -0.43 0.02 -0.01 -2.24 113.55 110.97 1h2i h SER 138 Ca 0.09 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1h2i h SER 138 Cb 0.11 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1h2i h SER 138 CO -0.01 0.55 0.27 -0.07 -1.14 0.00 0.00 176.83 176.44 1h2i h LEU 139 N -0.30 0.50 -0.31 5.07 -0.00 -0.52 -1.54 115.31 118.21 1h2i h LEU 139 Ca 0.01 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 1h2i h LEU 139 Cb 0.51 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 1h2i h LEU 139 CO 0.01 0.38 0.03 -0.08 -0.00 0.00 0.00 178.44 178.78 1h2i h GLU 140 N 0.57 0.13 -0.21 1.13 4.81 -1.02 0.19 114.58 120.17 1h2i h GLU 140 Ca 0.15 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1h2i h GLU 140 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1h2i h GLU 140 CO -0.03 0.08 0.10 -0.22 -0.73 0.00 0.00 179.01 178.21 1h2i h LYS 141 N 0.13 0.31 -0.60 1.92 3.64 -1.19 -2.01 116.57 118.78 1h2i h LYS 141 Ca 0.15 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1h2i h LYS 141 Cb 0.18 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1h2i h LYS 141 CO -0.22 0.34 0.05 0.00 -2.27 0.00 0.00 179.45 177.35 1h2i h ALA 142 N 0.96 0.96 -0.21 5.00 0.00 -0.90 -1.18 119.26 123.89 1h2i h ALA 142 Ca 0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1h2i h ALA 142 Cb 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1h2i h ALA 142 CO -0.01 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.74 1h2i h ARG 143 N 0.93 0.47 -0.64 0.00 3.08 -0.90 -2.09 114.38 115.23 1h2i h ARG 143 Ca 0.18 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1h2i h ARG 143 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1h2i h ARG 143 CO 0.02 0.77 0.07 0.87 -1.07 0.00 0.00 179.97 180.63 1h2i h LYS 144 N 0.16 1.08 0.00 0.04 1.57 -1.26 -2.83 116.57 115.32 1h2i h LYS 144 Ca 0.04 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 1h2i h LYS 144 Cb 0.66 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1h2i h LYS 144 CO 0.04 1.01 -0.61 0.93 -0.57 0.00 0.00 179.45 180.25 1h2i h GLU 145 N 0.99 0.00 -0.30 3.15 5.08 -1.22 -2.56 114.58 119.72 1h2i h GLU 145 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1h2i h GLU 145 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1h2i h GLU 145 CO 0.02 0.61 0.18 0.00 -1.00 0.00 0.00 179.01 178.82 1h2i h ALA 146 N 1.39 0.39 0.45 3.43 0.00 -1.20 0.18 119.26 123.89 1h2i h ALA 146 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1h2i h ALA 146 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1h2i h ALA 146 CO 0.08 -0.11 -0.23 0.28 0.00 0.00 0.00 179.25 179.27 1h2i h VAL 147 N 0.39 0.53 -0.98 0.00 2.07 -1.34 0.22 116.25 117.13 1h2i h VAL 147 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1h2i h VAL 147 Cb 0.02 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1h2i h VAL 147 CO -0.02 0.00 0.65 0.74 0.02 0.00 0.00 177.57 178.96 1h2i h THR 148 N -0.63 1.20 -0.69 2.57 2.02 -1.40 0.15 112.91 116.13 1h2i h THR 148 Ca -0.06 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1h2i h THR 148 Cb 0.49 -0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1h2i h THR 148 CO 0.09 0.23 0.21 -0.78 0.37 0.00 0.00 175.52 175.64 1h2i h ASP 149 N 1.27 1.01 -0.20 4.18 -0.00 -0.32 -0.39 116.42 121.96 1h2i h ASP 149 Ca 0.38 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.03 57.18 1h2i h ASP 149 Cb -0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.01 1h2i h ASP 149 CO -0.11 0.95 0.05 1.23 -0.00 0.00 0.00 179.24 181.37 1h2i h GLY 150 N 1.01 0.35 0.58 -0.78 0.00 0.44 -1.30 103.07 103.37 1h2i h GLY 150 Ca 0.22 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1h2i h GLY 150 CO -0.01 0.20 0.03 -2.00 0.00 0.00 0.00 176.54 174.76 1h2i h LEU 151 N 0.15 -0.06 -0.66 3.11 5.85 -0.47 0.19 115.31 123.42 1h2i h LEU 151 Ca 0.06 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1h2i h LEU 151 Cb 0.26 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1h2i h LEU 151 CO -0.00 0.00 0.43 0.11 -0.34 0.00 0.00 178.44 178.65 1h2i h LYS 152 N 0.12 0.86 -0.50 1.25 1.57 -0.92 -1.36 116.57 117.59 1h2i h LYS 152 Ca 0.14 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1h2i h LYS 152 Cb 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1h2i h LYS 152 CO -0.22 0.57 -0.14 0.00 -0.57 0.00 0.00 179.45 179.09 1h2i h ARG 153 N 0.88 0.97 0.25 3.15 3.08 -0.58 -1.97 114.38 120.16 1h2i h ARG 153 Ca 0.25 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1h2i h ARG 153 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1h2i h ARG 153 CO -0.06 1.04 -0.17 0.00 -1.07 0.00 0.00 179.97 179.71 1h2i h ALA 154 N 0.97 -0.40 -0.80 0.04 0.00 -0.34 -2.77 119.26 115.95 1h2i h ALA 154 Ca 0.13 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1h2i h ALA 154 Cb 0.70 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1h2i h ALA 154 CO 0.05 -0.74 0.53 -0.07 0.00 0.00 0.00 179.25 179.03 1h2i h LEU 155 N -0.42 0.37 -1.73 0.00 4.07 -1.14 -1.86 115.31 114.61 1h2i h LEU 155 Ca -0.02 0.03 0.16 0.00 0.08 0.00 0.00 57.88 58.13 1h2i h LEU 155 Cb 0.35 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 1h2i h LEU 155 CO 0.01 0.18 0.48 0.03 -1.08 0.00 0.00 178.44 178.06 1h2i h ARG 156 N 0.39 0.26 -0.13 1.13 3.08 -1.05 -1.73 114.38 116.32 1h2i h ARG 156 Ca 0.40 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.47 1h2i h ARG 156 Cb 0.98 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1h2i h ARG 156 CO -0.13 0.17 0.19 0.77 -1.07 0.00 0.00 179.97 179.90 1h2i h SER 157 N 0.26 0.00 1.56 7.04 0.02 -1.42 -1.72 113.55 119.29 1h2i h SER 157 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1h2i h SER 157 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1h2i h SER 157 CO -0.08 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.35 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.52 -3.49 116.94 114.38 1h2i h PHE 158 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1h2i h PHE 158 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 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 0.65 1.19 0.18 -1.45 0.00 -0.65 -4.94 105.19 100.18 1h2i n GLY 159 Ca 0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.41 -0.07 1.61 2.35 -1.57 -1.04 115.58 116.45 1h2i h ASN 160 Ca 0.00 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1h2i h ASN 160 Cb 0.00 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1h2i h ASN 160 CO 0.00 -0.17 0.39 0.00 -1.65 0.00 0.00 177.43 176.00 1h2i h ALA 161 N 0.96 1.51 -0.52 -0.83 0.00 0.11 0.28 119.26 120.78 1h2i h ALA 161 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1h2i h ALA 161 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1h2i h ALA 161 CO -0.24 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 179.86 1h2i n LEU 162 N -3.01 3.99 0.00 0.00 7.99 -0.47 -4.93 117.00 120.57 1h2i n LEU 162 Ca -0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 56.01 53.66 1h2i n LEU 162 Cb 0.46 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1h2i n LEU 162 CO 0.15 0.80 0.00 0.61 -1.51 0.00 0.00 177.39 177.44 1h2i n GLY 163 N 0.78 1.22 0.31 -0.72 0.00 0.98 -3.92 105.19 103.85 1h2i n GLY 163 Ca 0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.26 1.61 -0.00 -1.30 -2.60 115.58 113.04 1h2i h ASN 164 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 1h2i h ASN 164 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1h2i h ASN 164 CO 0.00 0.02 -0.53 0.00 -0.00 0.00 0.00 177.43 176.92 1h2i n ILE 166 N -4.01 0.00 0.03 0.00 0.00 -0.98 0.86 119.36 115.27 1h2i n ILE 166 Ca -0.04 0.82 0.04 0.00 0.00 0.00 0.00 62.75 63.57 1h2i n ILE 166 Cb 0.62 -1.44 0.07 0.00 0.00 0.00 0.00 39.64 38.89 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 -2.70 2.24 -4.58 9.51 -0.00 -1.26 -4.91 117.00 115.30 1h2i n LEU 167 Ca 0.18 -1.64 -0.42 0.00 -0.00 0.00 0.00 56.01 54.13 1h2i n LEU 167 Cb 1.04 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 44.34 1h2i n LEU 167 CO 0.18 0.53 1.03 -0.62 -0.00 0.00 0.00 177.39 178.52 1h2i s ASP 168 N -0.86 6.46 0.43 1.45 3.68 0.25 -4.93 116.67 123.16 1h2i s ASP 168 Ca 0.13 0.10 0.19 0.00 2.13 0.00 0.00 52.55 55.10 1h2i s ASP 168 Cb 0.07 -2.54 1.13 0.00 -1.45 0.00 0.00 42.92 40.14 1h2i s ASP 168 CO 0.10 -1.41 1.85 0.11 0.13 0.00 0.00 175.17 175.95 1h2i h LYS 169 N 9.47 0.35 0.00 4.34 1.57 -1.91 -0.49 116.57 129.89 1h2i h LYS 169 Ca -0.25 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1h2i h LYS 169 Cb 1.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1h2i h LYS 169 CO 1.16 0.23 -0.48 -0.44 -0.57 0.00 0.00 179.45 179.35 1h2i h ASP 170 N 0.36 0.00 -0.00 0.86 3.32 -1.95 0.21 116.42 119.21 1h2i h ASP 170 Ca 0.47 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.37 1h2i h ASP 170 Cb 1.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.81 1h2i h ASP 170 CO -0.17 0.48 -0.57 0.22 -1.72 0.00 0.00 179.24 177.48 1h2i h TYR 171 N 0.00 0.59 -0.46 4.55 3.20 -1.46 -2.53 116.97 120.85 1h2i h TYR 171 Ca -0.00 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1h2i h TYR 171 Cb 0.92 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1h2i h TYR 171 CO 0.00 1.13 0.30 -0.07 -1.64 0.00 0.00 178.16 177.89 1h2i h LEU 172 N -0.13 0.53 0.19 2.82 3.38 -1.08 -0.99 115.31 120.04 1h2i h LEU 172 Ca -0.07 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1h2i h LEU 172 Cb 1.29 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1h2i h LEU 172 CO 0.11 0.39 -0.26 -0.09 0.09 0.00 0.00 178.44 178.68 1h2i h ARG 173 N 0.62 -0.50 0.00 1.13 2.43 -1.00 -0.89 114.38 116.18 1h2i h ARG 173 Ca 0.17 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1h2i h ARG 173 Cb -0.07 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1h2i h ARG 173 CO -0.04 -0.33 0.00 -1.13 -1.51 0.00 0.00 179.97 176.96 1h2i n SER 174 N -5.38 0.00 0.11 -3.80 3.41 -0.95 -1.85 113.62 105.16 1h2i n SER 174 Ca -0.08 0.39 -0.20 0.00 -0.26 0.00 0.00 58.87 58.73 1h2i n SER 174 Cb 0.29 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.60 -1.37 1.04 3.38 0.20 -3.27 115.31 115.88 1h2i h LEU 175 Ca 0.00 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 1h2i h LEU 175 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1h2i h LEU 175 CO 0.00 1.53 -0.09 0.78 0.09 0.00 0.00 178.44 180.75 1h2i h ASN 176 N 0.10 0.29 0.00 -0.43 2.35 -0.70 -2.26 115.58 114.92 1h2i h ASN 176 Ca -0.21 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1h2i h ASN 176 Cb 2.06 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.36 1h2i h ASN 176 CO 0.23 0.42 0.00 0.29 -1.65 0.00 0.00 177.43 176.71 1h2i n LYS 177 N -4.28 0.90 -4.73 0.81 5.02 -1.17 -4.68 118.16 110.02 1h2i n LYS 177 Ca -0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1h2i n LYS 177 Cb 0.25 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 33.70 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 2.51 0.19 -0.35 1.43 -0.85 -5.08 118.68 116.53 1h2i s LEU 178 Ca 0.00 -0.45 -0.32 0.00 -1.03 0.00 0.00 54.13 52.32 1h2i s LEU 178 Cb 0.00 -1.47 -0.15 0.00 0.03 0.00 0.00 46.19 44.60 1h2i s LEU 178 CO 0.00 0.26 1.26 -2.65 0.23 0.00 0.00 176.35 175.45 1h2i n PRO 179 N 1.64 1.48 -1.47 1.29 -0.02 -1.26 -4.91 135.00 131.75 1h2i n PRO 179 Ca -0.16 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 1h2i n PRO 179 Cb 0.52 -2.09 0.08 0.00 -0.02 0.00 0.00 33.50 31.99 1h2i n PRO 179 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1h2i n ARG 180 N 1.92 0.69 -4.76 -0.52 -4.01 -1.26 -4.98 116.66 103.75 1h2i n ARG 180 Ca 0.14 0.29 -0.27 0.00 -1.04 0.00 0.00 57.85 56.98 1h2i n ARG 180 Cb 0.27 -2.35 -0.14 0.00 -3.04 0.00 0.00 32.46 27.19 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 -3.41 1.52 0.32 2.89 -2.07 -1.26 -5.12 119.66 112.53 1h2i s GLN 181 Ca 0.77 -0.94 -0.27 0.00 -1.82 0.00 0.00 55.36 53.09 1h2i s GLN 181 Cb -0.36 -1.62 -0.09 0.00 -1.09 0.00 0.00 33.01 29.85 1h2i s GLN 181 CO 0.47 0.42 1.07 -0.48 -1.32 0.00 0.00 175.29 175.45 1h2i s LEU 182 N -1.08 4.40 0.31 2.60 2.34 -1.26 -4.97 118.68 121.03 1h2i s LEU 182 Ca 0.08 2.16 -0.28 0.00 0.06 0.00 0.00 54.13 56.16 1h2i s LEU 182 Cb -0.09 -3.84 -0.13 0.00 -0.56 0.00 0.00 46.19 41.57 1h2i s LEU 182 CO 0.01 -0.26 1.06 -2.65 -1.06 0.00 0.00 176.35 173.45 1h2i n PRO 183 N 0.72 1.49 -3.09 1.48 -0.02 -1.26 -4.92 135.00 129.40 1h2i n PRO 183 Ca 0.01 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 1h2i n PRO 183 Cb 0.47 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1h2i n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h2i s LEU 184 N 0.08 4.26 0.03 2.45 0.20 -1.26 -5.04 118.68 119.40 1h2i s LEU 184 Ca 0.58 1.40 -0.28 0.00 0.69 0.00 0.00 54.13 56.53 1h2i s LEU 184 Cb -0.66 -3.75 -0.05 0.00 -0.43 0.00 0.00 46.19 41.31 1h2i s LEU 184 CO 0.60 -0.04 0.87 -1.61 -0.29 0.00 0.00 176.35 175.88 1h2i s GLU 185 N -2.26 4.56 -0.24 1.98 0.41 -1.26 -5.03 118.70 116.86 1h2i s GLU 185 Ca 0.47 1.24 -0.19 0.00 -0.41 0.00 0.00 54.97 56.07 1h2i s GLU 185 Cb -0.15 -3.41 -0.02 0.00 -1.78 0.00 0.00 34.13 28.77 1h2i s GLU 185 CO 0.20 0.13 0.58 0.08 -0.49 0.00 0.00 175.26 175.76 1h2i s VAL 186 N 0.41 5.03 -1.04 2.63 1.01 -1.26 -5.01 120.40 122.17 1h2i s VAL 186 Ca 0.45 1.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1h2i s VAL 186 Cb -0.21 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.38 1h2i s VAL 186 CO 0.25 0.08 1.34 -0.62 0.00 0.00 0.00 175.10 176.16 1h2i s ASP 187 N 1.38 6.68 0.00 3.32 3.68 -1.26 -4.84 116.67 125.63 1h2i s ASP 187 Ca 0.25 -2.05 0.00 0.00 2.13 0.00 0.00 52.55 52.88 1h2i s ASP 187 Cb -0.16 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 1h2i s ASP 187 CO 0.09 -1.16 0.46 0.18 0.13 0.00 0.00 175.17 174.87 1h2i n LEU 188 N 7.33 0.21 -0.07 -1.34 4.77 -1.26 -4.00 117.00 122.65 1h2i n LEU 188 Ca 0.31 -0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1h2i n LEU 188 Cb 0.48 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1h2i n LEU 188 CO 0.60 0.05 0.93 0.74 -1.33 0.00 0.00 177.39 178.38 1h2i h THR 189 N 0.00 0.94 -1.19 -5.08 2.02 -2.04 -2.69 112.91 104.86 1h2i h THR 189 Ca 0.00 -0.08 -0.67 0.00 0.77 0.00 0.00 66.41 66.43 1h2i h THR 189 Cb 0.11 0.70 -0.32 0.00 -1.74 0.00 0.00 68.15 66.90 1h2i h THR 189 CO 0.00 0.04 0.56 0.29 0.37 0.00 0.00 175.52 176.78 1h2i n LYS 190 N -5.02 2.89 -2.59 6.66 5.02 -1.26 -5.00 118.16 118.86 1h2i n LYS 190 Ca -0.01 -3.54 -0.36 0.00 -2.02 0.00 0.00 58.31 52.38 1h2i n LYS 190 Cb 0.09 -2.28 -0.04 0.00 -0.02 0.00 0.00 35.03 32.77 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i s ALA 191 N -3.83 3.06 0.18 7.82 0.00 -1.02 -4.98 121.76 122.99 1h2i s ALA 191 Ca 0.59 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 1h2i s ALA 191 Cb 0.47 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 1h2i s ALA 191 CO -0.09 -0.16 1.41 0.21 0.00 0.00 0.00 175.76 177.12 1h2i s LYS 192 N -2.61 4.31 0.00 0.00 2.20 -1.26 -4.87 119.74 117.51 1h2i s LYS 192 Ca 0.59 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1h2i s LYS 192 Cb -0.20 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1h2i s LYS 192 CO 0.25 -0.41 0.13 0.54 -0.36 0.00 0.00 175.35 175.50 1h2i n ARG 193 N 3.23 1.71 -4.44 4.03 1.74 -1.26 -5.07 116.66 116.60 1h2i n ARG 193 Ca 0.09 -0.13 -0.21 0.00 -0.77 0.00 0.00 57.85 56.83 1h2i n ARG 193 Cb 0.41 -0.52 -0.10 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 -0.28 1.59 -0.18 5.56 -0.21 -1.26 -5.07 119.66 119.81 1h2i s GLN 194 Ca 0.00 -1.84 -0.18 0.00 0.02 0.00 0.00 55.36 53.36 1h2i s GLN 194 Cb 0.00 -1.02 -0.21 0.00 1.00 0.00 0.00 33.01 32.78 1h2i s GLN 194 CO 0.00 -0.07 0.27 -0.44 -2.12 0.00 0.00 175.29 172.93 1h2i h ASP 195 N 2.20 0.12 -2.25 5.90 3.45 -2.04 -3.47 116.42 120.32 1h2i h ASP 195 Ca -0.40 -0.63 -0.62 0.00 0.43 0.00 0.00 57.03 55.81 1h2i h ASP 195 Cb 1.24 -0.04 0.08 0.00 -0.56 0.00 0.00 39.33 40.05 1h2i h ASP 195 CO 0.69 1.58 0.47 -0.11 -1.57 0.00 0.00 179.24 180.30 1h2i n LEU 196 N -4.19 2.33 -3.70 1.55 -0.00 -1.26 -4.98 117.00 106.75 1h2i n LEU 196 Ca -0.32 1.14 -0.29 0.00 -0.00 0.00 0.00 56.01 56.54 1h2i n LEU 196 Cb 0.78 -1.32 -0.13 0.00 -0.00 0.00 0.00 43.42 42.75 1h2i n LEU 196 CO 0.26 -0.86 -0.24 -1.61 -0.00 0.00 0.00 177.39 174.94 1h2i s GLU 197 N -0.22 1.31 0.18 1.96 0.41 -1.26 -5.05 118.70 116.04 1h2i s GLU 197 Ca 0.72 -2.07 -0.14 0.00 -0.41 0.00 0.00 54.97 53.08 1h2i s GLU 197 Cb -0.76 -2.32 0.17 0.00 -1.78 0.00 0.00 34.13 29.44 1h2i s GLU 197 CO 0.49 -1.18 1.70 -1.35 -0.49 0.00 0.00 175.26 174.43 1h2i h PRO 198 N 6.60 0.16 -0.55 0.39 0.11 -1.98 0.19 132.00 136.92 1h2i h PRO 198 Ca 0.02 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1h2i h PRO 198 Cb 0.92 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1h2i h PRO 198 CO 0.48 0.11 0.10 0.66 -0.21 0.00 0.00 178.00 179.14 1h2i h SER 199 N 0.17 0.87 -0.54 -2.05 4.64 -2.00 -1.10 113.55 113.54 1h2i h SER 199 Ca 0.23 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1h2i h SER 199 Cb 0.33 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1h2i h SER 199 CO -0.35 0.90 0.36 0.58 -0.87 0.00 0.00 176.83 177.45 1h2i h VAL 200 N 0.80 1.13 -0.63 0.95 2.07 -1.91 -2.15 116.25 116.51 1h2i h VAL 200 Ca 0.17 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1h2i h VAL 200 Cb 0.40 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1h2i h VAL 200 CO 0.01 0.13 0.42 -0.08 0.02 0.00 0.00 177.57 178.07 1h2i h GLU 201 N 0.73 0.78 0.57 1.57 4.57 0.04 -2.05 114.58 120.78 1h2i h GLU 201 Ca 0.20 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1h2i h GLU 201 Cb -0.08 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1h2i h GLU 201 CO -0.04 0.52 -0.28 0.93 -1.18 0.00 0.00 179.01 178.95 1h2i h GLU 202 N 0.80 -0.74 -0.87 1.92 5.08 -0.59 0.13 114.58 120.30 1h2i h GLU 202 Ca 0.24 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.87 1h2i h GLU 202 Cb -0.02 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 1h2i h GLU 202 CO -0.06 -0.44 0.06 0.00 -1.00 0.00 0.00 179.01 177.57 1h2i h ALA 203 N -0.94 1.04 -0.18 3.43 0.00 -1.40 1.18 119.26 122.38 1h2i h ALA 203 Ca -0.08 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1h2i h ALA 203 Cb 0.64 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1h2i h ALA 203 CO 0.13 -0.48 0.07 -0.09 0.00 0.00 0.00 179.25 178.87 1h2i h ARG 204 N 0.09 0.27 -0.19 0.00 2.43 -1.24 -2.52 114.38 113.23 1h2i h ARG 204 Ca 0.51 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1h2i h ARG 204 Cb 1.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1h2i h ARG 204 CO -0.76 0.35 0.10 -0.92 -1.51 0.00 0.00 179.97 177.23 1h2i h TYR 205 N 0.13 0.26 0.00 2.20 3.20 0.22 -2.18 116.97 120.79 1h2i h TYR 205 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1h2i h TYR 205 Cb 0.18 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1h2i h TYR 205 CO -0.01 0.24 0.00 0.09 -1.64 0.00 0.00 178.16 176.84 1h2i n ASN 206 N -4.90 0.00 -0.00 -2.11 3.02 0.37 -2.73 115.26 108.92 1h2i n ASN 206 Ca -0.04 -0.50 0.07 0.00 -0.03 0.00 0.00 54.58 54.07 1h2i n ASN 206 Cb 0.07 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.69 1.25 -1.79 6.41 3.41 -0.82 -4.33 113.62 117.06 1h2i n SER 207 Ca 0.03 -0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 58.08 1h2i n SER 207 Cb 0.01 1.31 0.05 0.00 -0.26 0.00 0.00 64.21 65.32 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88