#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 -2.81 2.56 -0.02 0.00 7.35 -1.26 -1.68 117.46 121.60 1h2i n PHE 26 Ca 0.08 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1h2i n PHE 26 Cb 0.28 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.57 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 2.12 1.09 0.00 7.13 0.00 0.64 -4.85 105.19 111.32 1h2i n GLY 27 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 2.40 -2.06 1.61 6.02 -0.68 -3.94 117.38 118.73 1h2i n GLN 28 Ca 0.00 -1.31 -0.29 0.00 -0.01 0.00 0.00 57.00 55.38 1h2i n GLN 28 Cb 0.00 -0.94 0.04 0.00 1.02 0.00 0.00 30.24 30.36 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 -5.21 1.00 0.31 0.00 0.74 -1.26 -4.23 119.66 111.01 1h2i s GLN 30 Ca 0.56 -0.26 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 1h2i s GLN 30 Cb -0.11 -0.93 -0.10 0.00 1.10 0.00 0.00 33.01 32.98 1h2i s GLN 30 CO 0.50 0.05 1.30 0.71 -0.55 0.00 0.00 175.29 177.30 1h2i s TYR 31 N 0.45 3.10 0.63 1.67 1.51 -1.26 -4.99 117.35 118.46 1h2i s TYR 31 Ca -0.07 1.38 -0.14 0.00 -1.01 0.00 0.00 57.07 57.23 1h2i s TYR 31 Cb -0.11 -3.66 -0.02 0.00 -0.11 0.00 0.00 41.96 38.06 1h2i s TYR 31 CO 0.01 -1.84 1.06 0.95 -1.11 0.00 0.00 175.55 174.62 1h2i s THR 32 N -0.93 3.84 0.27 -0.71 -4.23 -1.26 -4.82 115.64 107.80 1h2i s THR 32 Ca 0.50 0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 61.79 1h2i s THR 32 Cb -0.39 -3.36 0.26 0.00 1.34 0.00 0.00 72.50 70.34 1h2i s THR 32 CO 0.50 -0.60 1.82 0.00 -0.54 0.00 0.00 174.62 175.80 1h2i h ALA 33 N 0.07 1.39 0.07 3.99 0.00 -1.99 -0.35 119.26 122.44 1h2i h ALA 33 Ca -0.46 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 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 0.57 0.14 -0.03 1.49 0.00 0.00 0.00 179.25 181.42 1h2i h GLU 34 N 0.88 -0.09 -0.39 0.00 4.81 -2.00 -0.07 114.58 117.72 1h2i h GLU 34 Ca 0.47 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.66 1h2i h GLU 34 Cb 0.49 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1h2i h GLU 34 CO -0.28 0.03 0.08 1.49 -0.73 0.00 0.00 179.01 179.61 1h2i h GLU 35 N -0.20 0.64 -0.11 1.92 4.81 -1.86 -1.72 114.58 118.06 1h2i h GLU 35 Ca -0.01 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1h2i h GLU 35 Cb 0.17 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1h2i h GLU 35 CO 0.02 0.68 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.79 1h2i h TYR 36 N 0.49 -0.72 -0.61 0.92 3.20 -0.96 0.08 116.97 119.37 1h2i h TYR 36 Ca 0.12 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1h2i h TYR 36 Cb 0.34 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 1h2i h TYR 36 CO 0.02 -0.35 0.35 0.37 -1.64 0.00 0.00 178.16 176.91 1h2i h GLN 37 N -0.35 0.65 -0.52 1.82 4.15 -0.83 0.14 115.11 120.17 1h2i h GLN 37 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1h2i h GLN 37 Cb 0.49 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1h2i h GLN 37 CO -0.31 0.43 0.30 0.00 -1.93 0.00 0.00 178.83 177.32 1h2i h ALA 38 N 1.30 0.66 -0.35 3.38 0.00 -0.72 -2.47 119.26 121.06 1h2i h ALA 38 Ca 0.26 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1h2i h ALA 38 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1h2i h ALA 38 CO -0.15 0.16 -0.34 0.82 0.00 0.00 0.00 179.25 179.75 1h2i h ILE 39 N 0.69 1.28 -0.62 0.00 2.04 -0.49 -0.40 117.51 120.02 1h2i h ILE 39 Ca 0.18 -1.51 0.11 0.00 1.00 0.00 0.00 64.86 64.65 1h2i h ILE 39 Cb 0.01 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 1h2i h ILE 39 CO -0.03 0.50 0.17 1.56 0.00 0.00 0.00 178.15 180.35 1h2i h GLN 40 N 0.63 0.31 0.08 2.37 1.08 -0.57 0.14 115.11 119.15 1h2i h GLN 40 Ca 0.06 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1h2i h GLN 40 Cb 0.92 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1h2i h GLN 40 CO 0.08 0.20 -0.04 0.87 -0.95 0.00 0.00 178.83 179.00 1h2i h LYS 41 N 0.32 -0.10 -1.00 1.46 1.57 -1.33 -3.23 116.57 114.26 1h2i h LYS 41 Ca 0.32 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.22 1h2i h LYS 41 Cb 0.46 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 1h2i h LYS 41 CO -0.38 0.28 0.63 0.00 -0.57 0.00 0.00 179.45 179.41 1h2i h ALA 42 N 0.36 1.52 0.00 3.86 0.00 -0.52 -1.86 119.26 122.63 1h2i h ALA 42 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 42 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1h2i h ALA 42 CO 0.02 0.24 -0.09 -0.07 0.00 0.00 0.00 179.25 179.35 1h2i h LEU 43 N 1.01 0.00 -1.58 0.00 3.38 -1.00 -2.64 115.31 114.48 1h2i h LEU 43 Ca 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.41 1h2i h LEU 43 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1h2i h LEU 43 CO -0.25 0.09 -0.18 0.03 0.09 0.00 0.00 178.44 178.23 1h2i h ARG 44 N 0.00 0.04 -6.71 1.13 3.08 -1.37 0.11 114.38 110.67 1h2i h ARG 44 Ca -0.00 -0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.47 1h2i h ARG 44 Cb 0.21 -0.01 0.12 0.00 0.08 0.00 0.00 29.97 30.37 1h2i h ARG 44 CO 0.01 0.22 0.41 1.04 -1.07 0.00 0.00 179.97 180.59 1h2i n GLN 45 N -4.31 1.89 -2.95 0.04 6.02 -0.99 -4.59 117.38 112.49 1h2i n GLN 45 Ca -0.02 0.67 -0.26 0.00 -0.01 0.00 0.00 57.00 57.38 1h2i n GLN 45 Cb 0.25 -2.24 -0.01 0.00 1.02 0.00 0.00 30.24 29.27 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 -1.92 3.52 -0.01 -1.09 0.52 -1.26 -1.37 118.95 117.34 1h2i s ARG 46 Ca 0.58 -0.03 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 1h2i s ARG 46 Cb -0.57 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1h2i s ARG 46 CO 0.60 -0.06 0.18 -0.48 0.02 0.00 0.00 175.30 175.57 1h2i s LEU 47 N -4.56 4.37 1.16 2.53 2.34 -1.26 -4.91 118.68 118.35 1h2i s LEU 47 Ca 0.44 0.35 -0.16 0.00 0.06 0.00 0.00 54.13 54.82 1h2i s LEU 47 Cb -0.10 -2.63 0.27 0.00 -0.56 0.00 0.00 46.19 43.17 1h2i s LEU 47 CO 0.41 0.26 1.06 -0.83 -1.06 0.00 0.00 176.35 176.19 1h2i s GLY 48 N -1.95 1.54 0.59 -3.48 0.00 -1.26 -4.90 107.32 97.85 1h2i s GLY 48 Ca 0.27 -0.57 0.28 0.00 0.00 0.00 0.00 44.72 44.71 1h2i s GLY 48 CO 0.19 0.21 2.19 -2.55 0.00 0.00 0.00 173.10 173.13 1h2i h PRO 49 N -2.48 0.00 0.00 2.90 0.11 -1.96 -1.84 132.00 128.73 1h2i h PRO 49 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h2i h PRO 49 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1h2i h PRO 49 CO 0.45 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.39 1h2i n GLU 50 N -3.87 0.18 -0.08 1.05 0.00 -1.26 -2.48 120.64 114.18 1h2i n GLU 50 Ca -0.01 0.16 -0.08 0.00 0.00 0.00 0.00 57.16 57.23 1h2i n GLU 50 Cb 0.18 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.26 0.00 -2.85 -1.84 4.02 -0.69 -5.00 117.16 109.55 1h2i n TYR 51 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.53 1h2i n TYR 51 Cb 0.08 -0.75 -0.04 0.00 -0.02 0.00 0.00 39.34 38.61 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 -2.37 4.94 0.39 -0.72 -1.09 -1.03 -4.44 121.20 116.87 1h2i s ILE 52 Ca -0.09 1.80 0.04 0.00 -2.23 0.00 0.00 60.65 60.17 1h2i s ILE 52 Cb 0.05 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1h2i s ILE 52 CO 0.61 0.18 0.07 -0.94 -1.23 0.00 0.00 174.94 173.63 1h2i s SER 53 N 0.94 2.95 0.14 3.58 1.04 -0.22 -4.97 113.70 117.15 1h2i s SER 53 Ca 0.46 -1.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 1h2i s SER 53 Cb -0.19 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1h2i s SER 53 CO 0.23 -0.73 0.29 -0.94 0.98 0.00 0.00 173.24 173.07 1h2i s SER 54 N -3.61 -0.00 0.18 7.02 1.04 -1.26 -1.16 113.70 115.91 1h2i s SER 54 Ca 0.28 -0.68 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 1h2i s SER 54 Cb 0.06 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1h2i s SER 54 CO 0.14 -0.85 0.20 0.00 0.98 0.00 0.00 173.24 173.71 1h2i s ARG 55 N -3.90 1.17 -0.25 4.02 1.70 -0.76 -4.96 118.95 115.97 1h2i s ARG 55 Ca 0.10 -1.41 -0.17 0.00 -0.47 0.00 0.00 55.73 53.77 1h2i s ARG 55 Cb 0.03 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.06 -0.40 0.49 -1.64 -1.08 0.00 0.00 175.30 172.61 1h2i s MET 56 N -4.06 4.08 0.70 3.89 -1.94 -1.26 -1.41 119.30 119.30 1h2i s MET 56 Ca 0.27 0.28 -0.11 0.00 -1.71 0.00 0.00 55.69 54.42 1h2i s MET 56 Cb 0.05 -3.64 0.01 0.00 2.01 0.00 0.00 34.83 33.27 1h2i s MET 56 CO 0.06 -0.30 1.07 0.00 -0.01 0.00 0.00 175.02 175.84 1h2i s ALA 57 N 2.14 2.71 0.40 3.03 0.00 0.67 -4.89 121.76 125.82 1h2i s ALA 57 Ca 0.20 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.18 1h2i s ALA 57 Cb -0.16 -3.12 0.89 0.00 0.00 0.00 0.00 23.12 20.74 1h2i s ALA 57 CO 0.09 -1.21 1.97 0.78 0.00 0.00 0.00 175.76 177.39 1h2i h GLY 58 N -0.70 0.77 -1.05 0.00 0.00 -1.97 -0.03 103.07 100.08 1h2i h GLY 58 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.65 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 -1.48 1.08 3.60 4.60 0.00 -1.26 -4.75 105.19 106.97 1h2i n GLY 59 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.53 3.07 -0.02 0.00 -0.03 -4.98 105.19 102.86 1h2i n GLY 60 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.31 1.14 0.33 1.61 -2.07 -1.21 -4.90 119.66 108.25 1h2i s GLN 61 Ca 0.57 -0.43 -0.29 0.00 -1.82 0.00 0.00 55.36 53.39 1h2i s GLN 61 Cb -0.26 -1.06 -0.11 0.00 -1.09 0.00 0.00 33.01 30.48 1h2i s GLN 61 CO 0.71 0.22 1.56 1.17 -1.32 0.00 0.00 175.29 177.62 1h2i n LYS 62 N 3.00 2.72 -3.87 9.60 4.81 -1.26 -0.24 118.16 132.92 1h2i n LYS 62 Ca -0.16 0.96 -0.26 0.00 -0.87 0.00 0.00 58.31 57.98 1h2i n LYS 62 Cb 0.55 -2.73 -0.17 0.00 0.02 0.00 0.00 35.03 32.70 1h2i n LYS 62 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1h2i s VAL 63 N -0.45 0.89 0.24 3.15 1.01 -0.50 -4.86 120.40 119.88 1h2i s VAL 63 Ca 0.59 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1h2i s VAL 63 Cb -0.48 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 1h2i s VAL 63 CO 0.55 0.32 0.57 0.00 0.00 0.00 0.00 175.10 176.54 1h2i s TYR 65 N -1.84 -0.22 -0.09 0.00 -0.85 -0.31 -4.99 117.35 109.06 1h2i s TYR 65 Ca 0.48 -0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.97 1h2i s TYR 65 Cb -0.11 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1h2i s TYR 65 CO 0.21 -0.84 -0.09 0.42 -1.52 0.00 0.00 175.55 173.72 1h2i s ILE 66 N -3.41 3.47 0.19 -3.49 1.01 -1.26 -1.06 121.20 116.66 1h2i s ILE 66 Ca 0.09 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1h2i s ILE 66 Cb -0.02 -2.43 -0.08 0.00 0.01 0.00 0.00 42.46 39.94 1h2i s ILE 66 CO -0.01 0.57 1.08 -1.61 0.00 0.00 0.00 174.94 174.98 1h2i s GLU 67 N -0.44 4.62 0.29 2.79 2.02 -1.26 -4.91 118.70 121.81 1h2i s GLU 67 Ca 0.06 1.70 -0.01 0.00 0.02 0.00 0.00 54.97 56.74 1h2i s GLU 67 Cb -0.12 -3.27 0.66 0.00 0.10 0.00 0.00 34.13 31.49 1h2i s GLU 67 CO 0.02 0.13 1.58 0.78 0.02 0.00 0.00 175.26 177.78 1h2i h GLY 68 N 4.89 1.09 2.00 -1.39 0.00 -1.99 0.17 103.07 107.84 1h2i h GLY 68 Ca -0.45 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1h2i h GLY 68 CO 0.71 -0.46 -0.07 1.12 0.00 0.00 0.00 176.54 177.85 1h2i h HIS 69 N 0.02 0.00 -0.12 5.60 2.07 -2.00 -0.47 115.15 120.25 1h2i h HIS 69 Ca 0.55 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.88 1h2i h HIS 69 Cb 1.07 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.06 1h2i h HIS 69 CO -0.54 0.07 -0.67 0.00 -3.07 0.00 0.00 177.93 173.72 1h2i h ARG 70 N 0.00 0.67 -0.56 5.12 2.47 -1.05 -2.43 114.38 118.60 1h2i h ARG 70 Ca -0.00 -0.56 0.01 0.00 -1.26 0.00 0.00 59.98 58.17 1h2i h ARG 70 Cb 0.13 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1h2i h ARG 70 CO 0.01 1.17 0.37 0.28 0.56 0.00 0.00 179.97 182.36 1h2i h VAL 71 N 0.35 1.14 -0.74 2.04 2.07 -0.96 0.16 116.25 120.31 1h2i h VAL 71 Ca -0.05 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1h2i h VAL 71 Cb 1.31 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1h2i h VAL 71 CO 0.14 0.14 0.47 0.40 0.02 0.00 0.00 177.57 178.73 1h2i h ILE 72 N 0.76 1.12 -0.09 4.57 2.04 -1.09 0.57 117.51 125.39 1h2i h ILE 72 Ca 0.21 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.58 1h2i h ILE 72 Cb -0.08 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1h2i h ILE 72 CO -0.05 0.17 -0.67 0.78 0.00 0.00 0.00 178.15 178.38 1h2i h ASN 73 N 0.92 0.44 -0.34 1.72 2.35 -0.93 -0.45 115.58 119.30 1h2i h ASN 73 Ca 0.29 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1h2i h ASN 73 Cb -0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1h2i h ASN 73 CO -0.10 0.98 0.20 -0.07 -1.65 0.00 0.00 177.43 176.80 1h2i h LEU 74 N 0.27 0.33 0.06 1.61 3.38 -0.07 -0.90 115.31 119.98 1h2i h LEU 74 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1h2i h LEU 74 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h2i h LEU 74 CO 0.11 0.24 -0.03 0.00 0.09 0.00 0.00 178.44 178.86 1h2i h ALA 75 N 1.15 -0.08 -0.92 1.53 0.00 -0.59 0.11 119.26 120.47 1h2i h ALA 75 Ca 0.13 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1h2i h ALA 75 Cb -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1h2i h ALA 75 CO -0.06 -0.51 0.60 -0.91 0.00 0.00 0.00 179.25 178.37 1h2i h ASN 76 N -0.15 0.98 0.37 0.00 2.35 -0.91 0.32 115.58 118.53 1h2i h ASN 76 Ca -0.01 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.53 1h2i h ASN 76 Cb 0.13 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1h2i h ASN 76 CO 0.01 0.66 -0.86 -0.33 -1.65 0.00 0.00 177.43 175.26 1h2i h GLU 77 N 1.13 0.36 -0.21 0.81 4.39 -0.87 0.39 114.58 120.58 1h2i h GLU 77 Ca 0.37 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1h2i h GLU 77 Cb 0.06 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1h2i h GLU 77 CO -0.12 1.03 -0.33 1.98 -1.16 0.00 0.00 179.01 180.40 1h2i h MET 78 N 0.21 0.59 0.00 2.33 4.05 -0.11 -3.37 114.93 118.63 1h2i h MET 78 Ca -0.06 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1h2i h MET 78 Cb 1.48 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.32 1h2i h MET 78 CO 0.14 0.97 -0.47 1.19 0.23 0.00 0.00 176.91 178.97 1h2i n PHE 79 N -4.30 0.00 0.00 1.39 3.72 0.04 -4.97 117.46 113.34 1h2i n PHE 79 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1h2i n PHE 79 Cb 0.50 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1h2i n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h2i n GLY 80 N 1.28 1.69 0.33 1.37 0.00 0.14 -3.27 105.19 106.72 1h2i n GLY 80 Ca 0.01 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.46 1.61 -0.00 -1.89 0.59 116.97 116.82 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 -4.03 4.32 -0.11 0.10 2.04 -1.26 -4.53 115.26 111.78 1h2i n ASN 82 Ca 0.02 -2.63 0.09 0.00 -0.44 0.00 0.00 54.58 51.62 1h2i n ASN 82 Cb 0.30 -0.52 -0.08 0.00 -2.53 0.00 0.00 39.78 36.95 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 0.42 -0.60 3.11 4.83 0.00 0.20 -4.70 105.19 108.45 1h2i n GLY 83 Ca 0.22 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.68 0.34 0.21 1.61 1.48 -1.25 -1.53 118.94 117.11 1h2i s TRP 84 Ca 0.10 -0.79 -0.11 0.00 -1.06 0.00 0.00 56.10 54.24 1h2i s TRP 84 Cb 0.15 -0.24 -0.00 0.00 -1.16 0.00 0.00 33.47 32.21 1h2i s TRP 84 CO 0.72 -0.40 0.40 0.00 -4.06 0.00 0.00 176.95 173.61 1h2i s ALA 85 N -3.39 -0.18 -0.11 2.67 0.00 0.93 -4.96 121.76 116.71 1h2i s ALA 85 Ca 0.02 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 1h2i s ALA 85 Cb 0.04 0.98 0.06 0.00 0.00 0.00 0.00 23.12 24.20 1h2i s ALA 85 CO -0.08 -0.76 0.58 -3.38 0.00 0.00 0.00 175.76 172.12 1h2i s HIS 86 N -3.99 -0.57 0.14 0.00 -3.43 -1.26 0.04 115.29 106.22 1h2i s HIS 86 Ca 0.20 1.16 0.03 0.00 -0.80 0.00 0.00 55.06 55.65 1h2i s HIS 86 Cb 0.01 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 31.39 1h2i s HIS 86 CO 0.04 -0.45 -0.08 -1.54 -2.00 0.00 0.00 174.74 170.72 1h2i s SER 87 N -0.61 1.56 -0.52 7.38 1.04 -0.05 -4.97 113.70 117.53 1h2i s SER 87 Ca -0.07 -1.04 -0.17 0.00 0.48 0.00 0.00 55.95 55.15 1h2i s SER 87 Cb -0.03 0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.21 1h2i s SER 87 CO 0.05 -0.40 0.55 -0.63 0.98 0.00 0.00 173.24 173.79 1h2i s ILE 88 N -3.45 5.04 0.30 -1.02 1.01 -1.26 -0.60 121.20 121.22 1h2i s ILE 88 Ca 0.17 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1h2i s ILE 88 Cb 0.04 -4.30 0.10 0.00 0.01 0.00 0.00 42.46 38.30 1h2i s ILE 88 CO -0.00 -0.83 1.78 0.71 0.00 0.00 0.00 174.94 176.59 1h2i h THR 89 N 5.85 1.24 -1.74 2.92 1.35 -1.20 -3.46 112.91 117.87 1h2i h THR 89 Ca -0.29 -1.08 0.04 0.00 -0.55 0.00 0.00 66.41 64.53 1h2i h THR 89 Cb 1.10 1.17 -0.21 0.00 -1.73 0.00 0.00 68.15 68.48 1h2i h THR 89 CO 0.99 0.35 0.44 -1.58 -0.25 0.00 0.00 175.52 175.47 1h2i s GLN 90 N -4.70 0.75 -0.06 4.72 0.74 -1.18 -4.99 119.66 114.95 1h2i s GLN 90 Ca -0.07 0.15 -0.00 0.00 0.05 0.00 0.00 55.36 55.49 1h2i s GLN 90 Cb 0.14 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.63 1h2i s GLN 90 CO 0.78 -0.24 -0.02 -1.14 -0.55 0.00 0.00 175.29 174.12 1h2i s GLN 91 N -1.26 0.70 -0.07 1.67 0.74 -1.26 -0.06 119.66 120.12 1h2i s GLN 91 Ca -0.04 -0.00 0.03 0.00 0.05 0.00 0.00 55.36 55.39 1h2i s GLN 91 Cb -0.00 -0.87 0.01 0.00 1.10 0.00 0.00 33.01 33.25 1h2i s GLN 91 CO 0.03 -0.18 -0.14 1.21 -0.55 0.00 0.00 175.29 175.67 1h2i s ASN 92 N 1.37 1.96 -0.39 6.67 3.84 0.30 -4.99 114.94 123.69 1h2i s ASN 92 Ca -0.04 -0.34 -0.26 0.00 0.21 0.00 0.00 52.86 52.44 1h2i s ASN 92 Cb -0.13 -0.91 0.02 0.00 -0.55 0.00 0.00 41.25 39.68 1h2i s ASN 92 CO -0.02 0.05 0.92 -0.69 -2.79 0.00 0.00 177.10 174.57 1h2i s VAL 93 N 0.61 4.56 0.14 -5.21 1.01 -1.26 -0.87 120.40 119.39 1h2i s VAL 93 Ca -0.15 1.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.80 1h2i s VAL 93 Cb -0.16 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 1h2i s VAL 93 CO 0.04 -0.61 1.46 0.44 0.00 0.00 0.00 175.10 176.43 1h2i h ASP 94 N 8.63 0.96 -4.12 3.32 3.45 -0.98 -3.48 116.42 124.20 1h2i h ASP 94 Ca -0.23 -0.47 0.15 0.00 0.43 0.00 0.00 57.03 56.90 1h2i h ASP 94 Cb 1.08 -0.27 -0.21 0.00 -0.56 0.00 0.00 39.33 39.37 1h2i h ASP 94 CO 0.99 1.27 0.65 0.72 -1.57 0.00 0.00 179.24 181.30 1h2i s PHE 95 N -4.26 -0.26 -0.31 4.55 -0.12 -1.18 -4.99 117.98 111.41 1h2i s PHE 95 Ca -0.11 0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 57.09 1h2i s PHE 95 Cb 0.11 0.49 0.10 0.00 -0.63 0.00 0.00 43.02 43.09 1h2i s PHE 95 CO 0.88 -0.31 0.11 0.08 -0.05 0.00 0.00 175.22 175.93 1h2i s VAL 96 N -1.83 0.56 -0.09 -2.49 1.01 -1.26 -2.67 120.40 113.63 1h2i s VAL 96 Ca 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1h2i s VAL 96 Cb -0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1h2i s VAL 96 CO -0.03 -0.70 -0.00 -1.81 0.00 0.00 0.00 175.10 172.55 1h2i s ASP 97 N 1.76 5.17 -0.34 3.32 1.01 0.41 -4.95 116.67 123.06 1h2i s ASP 97 Ca 0.10 0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.45 1h2i s ASP 97 Cb -0.17 -1.49 0.07 0.00 1.01 0.00 0.00 42.92 42.34 1h2i s ASP 97 CO -0.29 0.36 0.07 -0.22 0.21 0.00 0.00 175.17 175.29 1h2i s LEU 98 N -0.75 4.35 0.00 1.23 2.96 -1.26 0.70 118.68 125.92 1h2i s LEU 98 Ca 0.12 -1.54 0.10 0.00 -0.22 0.00 0.00 54.13 52.59 1h2i s LEU 98 Cb -0.12 -1.75 0.17 0.00 0.50 0.00 0.00 46.19 44.99 1h2i s LEU 98 CO 0.02 -0.35 1.00 0.59 -1.32 0.00 0.00 176.35 176.29 1h2i n ASN 99 N 4.60 2.28 0.00 3.68 5.03 -0.90 -4.96 115.26 124.99 1h2i n ASN 99 Ca -0.09 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1h2i n ASN 99 Cb 0.43 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 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 0.52 0.00 0.00 6.41 3.02 -1.26 -4.92 115.26 119.04 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 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 2.02 3.61 7.41 0.00 -1.26 -5.03 105.19 111.94 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 -0.79 2.20 -0.05 1.61 1.02 -1.26 -4.50 119.74 117.98 1h2i s LYS 102 Ca 0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 55.97 54.81 1h2i s LYS 102 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1h2i s LYS 102 CO 0.00 0.46 0.05 -0.06 -0.92 0.00 0.00 175.35 174.88 1h2i s PHE 103 N -1.63 3.26 -0.20 3.18 0.40 0.23 -2.12 117.98 121.10 1h2i s PHE 103 Ca 0.25 0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1h2i s PHE 103 Cb -0.09 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.70 1h2i s PHE 103 CO 0.16 0.54 -0.13 0.71 0.70 0.00 0.00 175.22 177.20 1h2i s TYR 104 N -1.05 2.61 -0.05 0.36 1.51 0.22 -1.30 117.35 119.66 1h2i s TYR 104 Ca 0.18 -1.69 0.04 0.00 -1.01 0.00 0.00 57.07 54.58 1h2i s TYR 104 Cb -0.12 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1h2i s TYR 104 CO 0.08 -0.77 -0.15 0.08 -1.11 0.00 0.00 175.55 173.68 1h2i s VAL 105 N 1.33 1.26 -0.12 0.71 1.01 0.25 -0.44 120.40 124.40 1h2i s VAL 105 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1h2i s VAL 105 Cb -0.16 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1h2i s VAL 105 CO -0.09 0.37 -0.15 -0.83 0.00 0.00 0.00 175.10 174.40 1h2i s GLY 106 N 0.20 1.05 -0.01 4.51 0.00 -1.09 -1.67 107.32 110.31 1h2i s GLY 106 Ca -0.06 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 43.93 1h2i s GLY 106 CO 0.02 0.31 -0.12 0.14 0.00 0.00 0.00 173.10 173.46 1h2i s VAL 107 N 1.12 0.96 0.14 1.40 1.01 -0.07 -0.23 120.40 124.73 1h2i s VAL 107 Ca -0.04 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.54 1h2i s VAL 107 Cb -0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1h2i s VAL 107 CO -0.04 0.27 -0.25 0.00 0.00 0.00 0.00 175.10 175.09 1h2i s ALA 109 N -1.22 0.32 -0.25 0.00 0.00 -0.67 -0.54 121.76 119.39 1h2i s ALA 109 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1h2i s ALA 109 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1h2i s ALA 109 CO 0.08 0.08 0.03 -0.06 0.00 0.00 0.00 175.76 175.89 1h2i s PHE 110 N -0.08 3.06 -0.14 0.00 0.40 0.91 -0.51 117.98 121.62 1h2i s PHE 110 Ca 0.01 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 1h2i s PHE 110 Cb -0.02 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 1h2i s PHE 110 CO -0.00 -0.49 -0.16 0.08 0.70 0.00 0.00 175.22 175.35 1h2i s VAL 111 N 1.53 2.70 -0.21 -0.44 1.01 -0.77 -0.57 120.40 123.66 1h2i s VAL 111 Ca 0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1h2i s VAL 111 Cb -0.15 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1h2i s VAL 111 CO 0.01 0.52 0.02 -0.60 0.00 0.00 0.00 175.10 175.05 1h2i s ARG 112 N 0.64 3.66 -0.05 2.72 3.52 0.24 -2.26 118.95 127.42 1h2i s ARG 112 Ca -0.08 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1h2i s ARG 112 Cb -0.16 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1h2i s ARG 112 CO 0.02 0.01 -0.06 0.54 -0.81 0.00 0.00 175.30 175.00 1h2i s VAL 113 N 1.04 3.73 0.04 7.11 0.11 -0.19 -0.87 120.40 131.36 1h2i s VAL 113 Ca 0.02 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1h2i s VAL 113 Cb -0.14 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1h2i s VAL 113 CO 0.02 0.54 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.66 1h2i s GLN 114 N -0.98 0.60 0.43 1.54 0.74 0.11 -1.79 119.66 120.31 1h2i s GLN 114 Ca 0.14 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.81 1h2i s GLN 114 Cb -0.11 -0.44 0.00 0.00 1.10 0.00 0.00 33.01 33.56 1h2i s GLN 114 CO 0.03 0.09 0.63 -0.51 -0.55 0.00 0.00 175.29 174.98 1h2i s LEU 115 N -1.49 3.67 0.43 3.68 1.02 -0.03 -0.05 118.68 125.91 1h2i s LEU 115 Ca -0.07 0.09 0.29 0.00 0.02 0.00 0.00 54.13 54.46 1h2i s LEU 115 Cb -0.09 -2.99 1.54 0.00 0.02 0.00 0.00 46.19 44.66 1h2i s LEU 115 CO 0.01 -0.70 1.88 0.07 0.02 0.00 0.00 176.35 177.63 1h2i h LYS 116 N 0.48 0.00 -0.69 1.70 2.10 -1.56 -0.67 116.57 117.94 1h2i h LYS 116 Ca -0.45 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.14 1h2i h LYS 116 Cb 1.26 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1h2i h LYS 116 CO 0.55 0.00 0.20 0.22 -2.00 0.00 0.00 179.45 178.42 1h2i h ASP 117 N 0.00 1.02 0.00 7.07 -0.00 -1.84 0.20 116.42 122.88 1h2i h ASP 117 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 1h2i h ASP 117 Cb 0.04 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.10 1h2i h ASP 117 CO 0.00 0.97 0.00 0.61 -0.00 0.00 0.00 179.24 180.82 1h2i n GLY 118 N -0.71 1.52 3.76 -0.78 0.00 -0.26 -4.53 105.19 104.19 1h2i n GLY 118 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.85 5.16 0.21 1.61 1.04 -1.26 -4.75 113.70 113.87 1h2i s SER 119 Ca 0.00 2.14 -0.19 0.00 0.48 0.00 0.00 55.95 58.38 1h2i s SER 119 Cb 0.00 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1h2i s SER 119 CO 0.00 -1.60 0.58 -0.72 0.98 0.00 0.00 173.24 172.48 1h2i s TYR 120 N -2.05 -0.20 -0.15 5.02 -0.85 -1.26 -0.85 117.35 117.01 1h2i s TYR 120 Ca 0.71 -0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.97 1h2i s TYR 120 Cb -0.24 0.49 0.04 0.00 0.38 0.00 0.00 41.96 42.63 1h2i s TYR 120 CO 0.37 -0.98 0.40 -1.01 -1.52 0.00 0.00 175.55 172.80 1h2i s HIS 121 N -3.87 -0.44 0.02 -3.49 3.76 -0.74 -5.01 115.29 105.54 1h2i s HIS 121 Ca 0.09 1.06 0.05 0.00 -0.15 0.00 0.00 55.06 56.11 1h2i s HIS 121 Cb -0.02 0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.80 1h2i s HIS 121 CO -0.02 -0.21 -0.16 -2.00 -0.85 0.00 0.00 174.74 171.50 1h2i s GLU 122 N 0.23 1.10 0.31 1.40 2.12 -1.26 -1.03 118.70 121.58 1h2i s GLU 122 Ca -0.00 -0.72 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 1h2i s GLU 122 Cb -0.03 -1.12 -0.00 0.00 0.26 0.00 0.00 34.13 33.25 1h2i s GLU 122 CO 0.00 0.29 0.46 0.34 -0.54 0.00 0.00 175.26 175.81 1h2i s ASP 123 N -0.90 0.58 0.03 -1.70 -1.08 -0.96 -4.89 116.67 107.76 1h2i s ASP 123 Ca 0.04 -1.33 0.01 0.00 -0.52 0.00 0.00 52.55 50.74 1h2i s ASP 123 Cb -0.07 0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1h2i s ASP 123 CO 0.01 -1.24 0.10 0.68 0.52 0.00 0.00 175.17 175.24 1h2i s VAL 124 N -3.34 4.80 0.18 1.11 -7.23 -1.26 -1.84 120.40 112.82 1h2i s VAL 124 Ca 0.29 -0.51 0.09 0.00 -1.81 0.00 0.00 61.98 60.03 1h2i s VAL 124 Cb -0.00 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1h2i s VAL 124 CO 0.17 0.24 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.19 1h2i s GLY 125 N -2.08 1.43 0.04 2.32 0.00 0.33 -4.49 107.32 104.88 1h2i s GLY 125 Ca 0.27 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.50 1h2i s GLY 125 CO 0.19 -1.60 -0.15 -0.47 0.00 0.00 0.00 173.10 171.06 1h2i s TYR 126 N -2.22 1.33 -0.06 1.90 5.04 -1.26 -1.66 117.35 120.42 1h2i s TYR 126 Ca 0.18 -0.37 0.03 0.00 -2.44 0.00 0.00 57.07 54.47 1h2i s TYR 126 Cb -0.05 -0.79 0.00 0.00 0.35 0.00 0.00 41.96 41.48 1h2i s TYR 126 CO 0.07 0.05 -0.16 0.20 -1.34 0.00 0.00 175.55 174.37 1h2i s GLY 127 N -1.22 0.95 0.03 8.97 0.00 0.25 -3.85 107.32 112.45 1h2i s GLY 127 Ca 0.02 -0.63 0.06 0.00 0.00 0.00 0.00 44.72 44.18 1h2i s GLY 127 CO 0.02 -0.14 -0.19 0.14 0.00 0.00 0.00 173.10 172.92 1h2i s VAL 128 N 0.37 1.50 -0.18 1.40 1.01 -1.26 -0.89 120.40 122.34 1h2i s VAL 128 Ca -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 1h2i s VAL 128 Cb -0.15 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 35.02 1h2i s VAL 128 CO 0.04 0.21 0.20 -0.55 0.00 0.00 0.00 175.10 175.01 1h2i s SER 129 N -0.99 1.30 -0.10 3.32 0.15 -0.67 -4.53 113.70 112.19 1h2i s SER 129 Ca 0.06 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.61 1h2i s SER 129 Cb -0.08 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1h2i s SER 129 CO 0.01 -0.31 -0.15 -1.61 1.20 0.00 0.00 173.24 172.38 1h2i s GLU 130 N 2.31 2.14 0.00 5.44 2.02 -1.26 -0.58 118.70 128.78 1h2i s GLU 130 Ca 0.06 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1h2i s GLU 130 Cb -0.15 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1h2i s GLU 130 CO -0.11 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1h2i n GLY 131 N 4.06 2.59 3.79 -1.39 0.00 -0.42 -5.01 105.19 108.81 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 3.17 0.00 0.99 1.43 -1.26 -4.63 118.68 118.39 1h2i s LEU 132 Ca 0.00 1.78 0.22 0.00 -1.03 0.00 0.00 54.13 55.10 1h2i s LEU 132 Cb 0.00 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 1h2i s LEU 132 CO 0.00 -1.68 0.96 0.29 0.23 0.00 0.00 176.35 176.15 1h2i n LYS 133 N -3.05 0.08 -3.25 1.70 5.02 -1.26 -0.60 118.16 116.79 1h2i n LYS 133 Ca 0.09 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 1h2i n LYS 133 Cb 0.53 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -3.22 6.48 0.04 4.39 0.15 -1.26 -4.83 113.70 115.46 1h2i s SER 134 Ca 0.07 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 57.08 1h2i s SER 134 Cb 0.16 -2.28 -0.15 0.00 -1.71 0.00 0.00 66.02 62.04 1h2i s SER 134 CO 0.84 -0.22 1.46 0.50 1.20 0.00 0.00 173.24 177.02 1h2i h LYS 135 N 7.73 0.17 -0.12 5.44 3.64 -1.98 -2.06 116.57 129.40 1h2i h LYS 135 Ca -0.32 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1h2i h LYS 135 Cb 1.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1h2i h LYS 135 CO 0.72 0.44 -0.07 0.00 -2.27 0.00 0.00 179.45 178.27 1h2i h ALA 136 N 0.73 0.03 0.00 5.00 0.00 -1.99 -0.44 119.26 122.59 1h2i h ALA 136 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 136 Cb 0.36 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1h2i h ALA 136 CO 0.01 -0.53 -0.19 -0.07 0.00 0.00 0.00 179.25 178.47 1h2i h LEU 137 N -0.07 0.00 0.02 0.00 -0.00 -1.97 -0.03 115.31 113.25 1h2i h LEU 137 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1h2i h LEU 137 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1h2i h LEU 137 CO -0.16 0.19 -0.01 0.28 -0.00 0.00 0.00 178.44 178.74 1h2i h SER 138 N 0.00 -0.03 -0.27 -0.43 0.02 -0.62 -2.35 113.55 109.88 1h2i h SER 138 Ca -0.00 -0.59 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1h2i h SER 138 Cb 0.37 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1h2i h SER 138 CO 0.02 0.59 0.11 -0.07 -1.14 0.00 0.00 176.83 176.34 1h2i h LEU 139 N -0.66 0.13 -0.42 5.07 -0.00 -0.92 -1.34 115.31 117.17 1h2i h LEU 139 Ca -0.00 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1h2i h LEU 139 Cb 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.22 1h2i h LEU 139 CO 0.01 0.11 0.11 -0.08 -0.00 0.00 0.00 178.44 178.59 1h2i h GLU 140 N 0.24 0.25 -0.19 1.13 4.81 -1.05 0.18 114.58 119.95 1h2i h GLU 140 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1h2i h GLU 140 Cb 0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1h2i h GLU 140 CO -0.11 0.16 0.07 -0.22 -0.73 0.00 0.00 179.01 178.18 1h2i h LYS 141 N 0.25 0.28 -0.42 1.92 3.64 -1.11 -1.72 116.57 119.41 1h2i h LYS 141 Ca 0.20 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1h2i h LYS 141 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1h2i h LYS 141 CO -0.24 0.37 0.16 0.00 -2.27 0.00 0.00 179.45 177.47 1h2i h ALA 142 N 0.90 0.55 -0.19 5.00 0.00 -0.92 -1.15 119.26 123.45 1h2i h ALA 142 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1h2i h ALA 142 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h2i h ALA 142 CO -0.00 0.16 0.10 0.00 0.00 0.00 0.00 179.25 179.51 1h2i h ARG 143 N 0.54 0.27 -0.58 0.00 3.08 -0.91 -1.80 114.38 114.98 1h2i h ARG 143 Ca 0.14 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1h2i h ARG 143 Cb 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1h2i h ARG 143 CO -0.01 0.28 0.18 0.87 -1.07 0.00 0.00 179.97 180.22 1h2i h LYS 144 N 0.20 0.91 -0.08 0.04 1.57 -1.21 -2.90 116.57 115.09 1h2i h LYS 144 Ca 0.07 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1h2i h LYS 144 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1h2i h LYS 144 CO -0.01 0.81 -0.46 0.93 -0.57 0.00 0.00 179.45 180.15 1h2i h GLU 145 N 0.82 0.20 -0.32 3.15 5.08 -1.15 -2.15 114.58 120.20 1h2i h GLU 145 Ca 0.19 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1h2i h GLU 145 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1h2i h GLU 145 CO -0.01 0.62 0.17 0.00 -1.00 0.00 0.00 179.01 178.80 1h2i h ALA 146 N 1.36 0.40 -0.15 3.43 0.00 -1.13 0.29 119.26 123.46 1h2i h ALA 146 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 146 Cb 0.88 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1h2i h ALA 146 CO 0.07 -0.20 0.06 0.28 0.00 0.00 0.00 179.25 179.46 1h2i h VAL 147 N 0.35 1.14 -0.71 0.00 2.07 -1.33 0.44 116.25 118.22 1h2i h VAL 147 Ca 0.13 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1h2i h VAL 147 Cb 0.03 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1h2i h VAL 147 CO -0.08 0.13 0.18 0.74 0.02 0.00 0.00 177.57 178.56 1h2i h THR 148 N 0.10 1.26 -0.61 2.57 2.02 -1.13 0.25 112.91 117.36 1h2i h THR 148 Ca 0.05 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1h2i h THR 148 Cb 0.14 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1h2i h THR 148 CO -0.01 0.37 0.25 -0.78 0.37 0.00 0.00 175.52 175.73 1h2i h ASP 149 N 1.06 0.84 -0.61 4.18 -0.00 -0.26 -0.43 116.42 121.20 1h2i h ASP 149 Ca 0.22 -0.16 -0.09 0.00 -0.00 0.00 0.00 57.03 57.00 1h2i h ASP 149 Cb 0.36 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.45 1h2i h ASP 149 CO 0.00 0.77 0.01 1.23 -0.00 0.00 0.00 179.24 181.26 1h2i h GLY 150 N 0.85 1.14 1.00 -0.78 0.00 -0.38 -0.24 103.07 104.66 1h2i h GLY 150 Ca 0.21 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1h2i h GLY 150 CO -0.02 0.77 0.14 -2.00 0.00 0.00 0.00 176.54 175.43 1h2i h LEU 151 N 0.96 0.25 -0.33 3.11 5.85 -0.60 0.12 115.31 124.67 1h2i h LEU 151 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1h2i h LEU 151 Cb 0.54 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1h2i h LEU 151 CO 0.03 0.18 0.22 0.11 -0.34 0.00 0.00 178.44 178.64 1h2i h LYS 152 N 0.29 0.43 -0.74 1.25 1.57 -0.87 -1.44 116.57 117.06 1h2i h LYS 152 Ca 0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1h2i h LYS 152 Cb -0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1h2i h LYS 152 CO -0.02 0.29 0.24 0.00 -0.57 0.00 0.00 179.45 179.39 1h2i h ARG 153 N 0.45 1.14 -0.62 3.15 3.08 -0.63 -2.23 114.38 118.72 1h2i h ARG 153 Ca 0.12 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1h2i h ARG 153 Cb -0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1h2i h ARG 153 CO -0.03 0.97 0.36 0.00 -1.07 0.00 0.00 179.97 180.20 1h2i h ALA 154 N 1.15 0.79 -0.36 0.04 0.00 -0.52 -2.69 119.26 117.68 1h2i h ALA 154 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1h2i h ALA 154 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h2i h ALA 154 CO -0.01 0.29 0.11 -0.07 0.00 0.00 0.00 179.25 179.57 1h2i h LEU 155 N 0.84 0.47 -1.56 0.00 4.07 -0.99 -2.64 115.31 115.51 1h2i h LEU 155 Ca 0.22 -0.05 0.18 0.00 0.08 0.00 0.00 57.88 58.31 1h2i h LEU 155 Cb 0.01 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.57 1h2i h LEU 155 CO -0.04 0.46 0.56 0.03 -1.08 0.00 0.00 178.44 178.37 1h2i h ARG 156 N 0.52 0.39 -0.16 1.13 3.08 -1.05 -1.31 114.38 116.97 1h2i h ARG 156 Ca 0.12 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.20 1h2i h ARG 156 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1h2i h ARG 156 CO -0.01 0.26 0.30 0.77 -1.07 0.00 0.00 179.97 180.22 1h2i h SER 157 N 0.40 0.00 1.64 7.04 0.02 -1.55 -1.29 113.55 119.80 1h2i h SER 157 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1h2i h SER 157 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1h2i h SER 157 CO -0.15 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.28 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.44 -3.49 116.94 114.46 1h2i h PHE 158 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 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 0.88 -0.80 0.13 -1.45 0.00 -0.49 -4.93 105.19 98.52 1h2i n GLY 159 Ca 0.04 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 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 0.25 0.00 1.61 2.35 -1.57 -0.52 115.58 117.71 1h2i h ASN 160 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1h2i h ASN 160 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h2i h ASN 160 CO 0.00 0.19 0.21 0.00 -1.65 0.00 0.00 177.43 176.18 1h2i h ALA 161 N 1.11 1.21 -0.51 -0.83 0.00 0.45 0.38 119.26 121.07 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 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h2i h ALA 161 CO -0.04 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1h2i n LEU 162 N -2.94 3.43 0.00 0.00 7.99 -0.95 -4.94 117.00 119.60 1h2i n LEU 162 Ca -0.02 -2.04 0.00 0.00 -0.01 0.00 0.00 56.01 53.93 1h2i n LEU 162 Cb 0.27 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 1h2i n LEU 162 CO 0.16 0.84 0.00 0.61 -1.51 0.00 0.00 177.39 177.48 1h2i n GLY 163 N 0.96 1.17 0.27 -0.72 0.00 0.13 -3.94 105.19 103.06 1h2i n GLY 163 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.48 1.61 -0.00 -1.00 -2.68 115.58 113.03 1h2i h ASN 164 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.20 1h2i h ASN 164 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.30 1h2i h ASN 164 CO 0.00 0.09 -0.07 0.00 -0.00 0.00 0.00 177.43 177.45 1h2i n ILE 166 N -4.26 0.00 0.01 0.00 0.00 -1.01 0.10 119.36 114.20 1h2i n ILE 166 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 62.75 63.48 1h2i n ILE 166 Cb 0.37 -1.19 0.09 0.00 0.00 0.00 0.00 39.64 38.90 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 -2.60 2.36 -4.55 9.51 -0.00 -1.26 -4.91 117.00 115.55 1h2i n LEU 167 Ca 0.17 -1.70 -0.42 0.00 -0.00 0.00 0.00 56.01 54.06 1h2i n LEU 167 Cb 0.89 -0.11 -0.03 0.00 -0.00 0.00 0.00 43.42 44.17 1h2i n LEU 167 CO 0.17 0.56 1.06 -0.62 -0.00 0.00 0.00 177.39 178.56 1h2i s ASP 168 N -0.90 6.31 0.46 1.45 3.68 0.29 -4.93 116.67 123.03 1h2i s ASP 168 Ca 0.14 -0.23 0.25 0.00 2.13 0.00 0.00 52.55 54.84 1h2i s ASP 168 Cb 0.08 -2.54 1.27 0.00 -1.45 0.00 0.00 42.92 40.28 1h2i s ASP 168 CO 0.11 -1.59 1.83 0.11 0.13 0.00 0.00 175.17 175.76 1h2i h LYS 169 N 9.71 0.22 -0.04 4.34 1.57 -1.91 0.61 116.57 131.08 1h2i h LYS 169 Ca -0.27 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 1h2i h LYS 169 Cb 1.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1h2i h LYS 169 CO 1.21 0.15 -0.61 -0.44 -0.57 0.00 0.00 179.45 179.19 1h2i h ASP 170 N 0.23 0.16 -0.11 0.86 3.32 -1.96 -0.59 116.42 118.34 1h2i h ASP 170 Ca 0.51 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.37 1h2i h ASP 170 Cb 1.58 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1h2i h ASP 170 CO -0.14 0.73 -0.31 0.22 -1.72 0.00 0.00 179.24 178.02 1h2i h TYR 171 N 0.10 0.52 -0.24 4.55 3.20 -1.26 -2.46 116.97 121.38 1h2i h TYR 171 Ca -0.01 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.68 1h2i h TYR 171 Cb 1.10 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1h2i h TYR 171 CO 0.01 0.92 0.10 -0.07 -1.64 0.00 0.00 178.16 177.49 1h2i h LEU 172 N -0.04 0.14 -0.02 2.82 3.38 -1.17 -1.53 115.31 118.91 1h2i h LEU 172 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1h2i h LEU 172 Cb 0.93 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1h2i h LEU 172 CO 0.07 0.11 -0.30 -0.09 0.09 0.00 0.00 178.44 178.32 1h2i h ARG 173 N 0.23 -0.42 0.00 1.13 2.43 -1.13 -0.76 114.38 115.86 1h2i h ARG 173 Ca 0.10 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1h2i h ARG 173 Cb 0.05 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1h2i h ARG 173 CO -0.08 -0.28 0.00 -1.13 -1.51 0.00 0.00 179.97 176.97 1h2i n SER 174 N -5.40 0.00 0.11 -3.80 3.41 -0.93 -2.02 113.62 105.00 1h2i n SER 174 Ca -0.05 0.12 -0.23 0.00 -0.26 0.00 0.00 58.87 58.45 1h2i n SER 174 Cb 0.31 -0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.69 -1.59 1.04 3.38 -0.10 -3.30 115.31 115.42 1h2i h LEU 175 Ca 0.00 -0.85 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 1h2i h LEU 175 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1h2i h LEU 175 CO 0.00 1.69 0.04 0.78 0.09 0.00 0.00 178.44 181.05 1h2i h ASN 176 N 0.12 0.27 0.00 -0.43 2.35 -0.74 -2.40 115.58 114.76 1h2i h ASN 176 Ca -0.28 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1h2i h ASN 176 Cb 2.12 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.42 1h2i h ASN 176 CO 0.22 0.29 0.00 0.29 -1.65 0.00 0.00 177.43 176.59 1h2i n LYS 177 N -4.40 0.91 -4.28 0.81 5.02 -1.17 -4.79 118.16 110.26 1h2i n LYS 177 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1h2i n LYS 177 Cb 0.16 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 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 3.11 0.03 -0.35 1.43 -0.90 -5.08 118.68 116.92 1h2i s LEU 178 Ca 0.00 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 1h2i s LEU 178 Cb 0.00 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 1h2i s LEU 178 CO 0.00 -0.11 1.77 -2.84 0.23 0.00 0.00 176.35 175.40 1h2i s PRO 179 N -3.71 4.17 0.21 1.29 0.02 -1.26 -4.90 135.00 130.82 1h2i s PRO 179 Ca 0.33 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.46 1h2i s PRO 179 Cb -0.04 -3.88 -0.16 0.00 0.02 0.00 0.00 34.50 30.44 1h2i s PRO 179 CO 0.20 -0.85 0.96 2.89 -0.33 0.00 0.00 177.00 179.87 1h2i n ARG 180 N 6.64 0.91 -4.09 5.54 1.85 -1.26 -4.88 116.66 121.36 1h2i n ARG 180 Ca 0.18 0.32 -0.25 0.00 -1.00 0.00 0.00 57.85 57.09 1h2i n ARG 180 Cb 0.41 -1.66 -0.05 0.00 -1.05 0.00 0.00 32.46 30.11 1h2i n ARG 180 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1h2i s GLN 181 N -0.92 2.89 -0.19 2.89 -2.07 -1.26 -5.09 119.66 115.91 1h2i s GLN 181 Ca 0.67 -0.91 -0.17 0.00 -1.82 0.00 0.00 55.36 53.13 1h2i s GLN 181 Cb -0.84 -2.62 -0.04 0.00 -1.09 0.00 0.00 33.01 28.42 1h2i s GLN 181 CO 0.56 0.47 0.45 -0.48 -1.32 0.00 0.00 175.29 174.96 1h2i s LEU 182 N -3.24 4.16 0.02 2.60 2.34 -1.26 -5.02 118.68 118.27 1h2i s LEU 182 Ca 0.31 0.60 -0.35 0.00 0.06 0.00 0.00 54.13 54.75 1h2i s LEU 182 Cb -0.10 -2.60 -0.14 0.00 -0.56 0.00 0.00 46.19 42.80 1h2i s LEU 182 CO 0.24 -0.10 1.67 -2.65 -1.06 0.00 0.00 176.35 174.45 1h2i n PRO 183 N 4.50 1.93 -0.78 1.48 -0.02 -1.26 -4.92 135.00 135.92 1h2i n PRO 183 Ca -0.07 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1h2i n PRO 183 Cb 0.51 -2.47 0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1h2i n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h2i s LEU 184 N 2.27 2.61 -0.23 2.45 1.43 -1.26 -5.02 118.68 120.94 1h2i s LEU 184 Ca 0.87 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1h2i s LEU 184 Cb -0.76 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.01 1h2i s LEU 184 CO 0.47 -3.07 0.18 -1.61 0.23 0.00 0.00 176.35 172.54 1h2i s GLU 185 N -4.68 4.11 -0.17 1.70 0.41 -1.26 -5.07 118.70 113.74 1h2i s GLU 185 Ca 0.66 -0.21 -0.26 0.00 -0.41 0.00 0.00 54.97 54.75 1h2i s GLU 185 Cb -0.22 -3.51 -0.01 0.00 -1.78 0.00 0.00 34.13 28.60 1h2i s GLU 185 CO 0.58 0.10 0.86 0.08 -0.49 0.00 0.00 175.26 176.40 1h2i s VAL 186 N 0.93 4.86 -0.42 2.63 1.01 -1.26 -5.02 120.40 123.13 1h2i s VAL 186 Ca 0.09 1.70 -0.24 0.00 0.00 0.00 0.00 61.98 63.53 1h2i s VAL 186 Cb -0.13 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1h2i s VAL 186 CO 0.04 0.01 0.81 -0.62 0.00 0.00 0.00 175.10 175.34 1h2i s ASP 187 N 1.16 6.48 -0.28 3.32 3.68 -1.26 -4.93 116.67 124.83 1h2i s ASP 187 Ca 0.40 0.09 0.06 0.00 2.13 0.00 0.00 52.55 55.22 1h2i s ASP 187 Cb -0.17 -2.40 0.55 0.00 -1.45 0.00 0.00 42.92 39.45 1h2i s ASP 187 CO 0.12 -0.88 1.60 0.18 0.13 0.00 0.00 175.17 176.32 1h2i n LEU 188 N 6.71 5.38 0.22 -1.34 4.77 -1.26 -4.43 117.00 127.06 1h2i n LEU 188 Ca 0.03 -2.82 0.15 0.00 -0.03 0.00 0.00 56.01 53.34 1h2i n LEU 188 Cb 0.48 -0.72 0.49 0.00 -2.33 0.00 0.00 43.42 41.35 1h2i n LEU 188 CO 0.58 0.78 0.91 0.74 -1.33 0.00 0.00 177.39 179.07 1h2i h THR 189 N 1.56 0.00 0.00 -5.08 2.02 -2.05 -3.24 112.91 106.12 1h2i h THR 189 Ca 0.31 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1h2i h THR 189 Cb 2.13 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1h2i h THR 189 CO 0.67 0.00 -0.06 0.29 0.37 0.00 0.00 175.52 176.79 1h2i n LYS 190 N -2.84 1.58 -1.54 6.66 5.02 -1.26 -5.07 118.16 120.71 1h2i n LYS 190 Ca 0.02 -1.73 -0.44 0.00 -2.02 0.00 0.00 58.31 54.14 1h2i n LYS 190 Cb 0.36 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.74 -0.77 -2.11 7.82 0.00 -1.22 -4.86 120.51 118.63 1h2i n ALA 191 Ca 0.06 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1h2i n ALA 191 Cb 0.49 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1h2i n ALA 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1h2i s LYS 192 N -1.53 4.29 0.00 0.00 2.20 -1.26 -4.86 119.74 118.58 1h2i s LYS 192 Ca 0.61 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1h2i s LYS 192 Cb -0.70 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1h2i s LYS 192 CO 0.59 -0.49 0.00 0.54 -0.36 0.00 0.00 175.35 175.63 1h2i n ARG 193 N 4.01 1.56 -4.55 4.03 1.74 -1.26 -5.04 116.66 117.15 1h2i n ARG 193 Ca 0.12 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 1h2i n ARG 193 Cb 0.41 -0.87 -0.13 0.00 -1.02 0.00 0.00 32.46 30.85 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 -1.69 1.54 0.17 5.56 -0.21 -1.26 -5.05 119.66 118.71 1h2i s GLN 194 Ca 0.00 -1.27 -0.12 0.00 0.02 0.00 0.00 55.36 53.99 1h2i s GLN 194 Cb 0.00 -1.93 0.06 0.00 1.00 0.00 0.00 33.01 32.14 1h2i s GLN 194 CO 0.00 0.47 1.69 -0.44 -2.12 0.00 0.00 175.29 174.89 1h2i h ASP 195 N 4.15 0.84 -1.92 5.90 3.45 -2.04 -3.45 116.42 123.36 1h2i h ASP 195 Ca -0.50 -0.22 -0.65 0.00 0.43 0.00 0.00 57.03 56.10 1h2i h ASP 195 Cb 1.16 -0.22 0.09 0.00 -0.56 0.00 0.00 39.33 39.80 1h2i h ASP 195 CO 0.41 0.84 0.16 -0.11 -1.57 0.00 0.00 179.24 178.97 1h2i n LEU 196 N -4.41 1.26 -3.55 1.55 -0.00 -1.26 -4.98 117.00 105.61 1h2i n LEU 196 Ca 0.03 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 56.91 1h2i n LEU 196 Cb 0.22 -1.19 -0.11 0.00 -0.00 0.00 0.00 43.42 42.33 1h2i n LEU 196 CO 0.40 -1.50 -0.25 -1.61 -0.00 0.00 0.00 177.39 174.44 1h2i s GLU 197 N -0.64 1.25 0.19 1.96 0.41 -1.26 -5.01 118.70 115.60 1h2i s GLU 197 Ca 0.70 -2.28 -0.18 0.00 -0.41 0.00 0.00 54.97 52.81 1h2i s GLU 197 Cb -0.85 -1.96 0.15 0.00 -1.78 0.00 0.00 34.13 29.69 1h2i s GLU 197 CO 0.54 -1.32 1.61 -1.35 -0.49 0.00 0.00 175.26 174.26 1h2i h PRO 198 N 5.89 -0.11 -0.34 0.39 0.11 -1.98 0.16 132.00 136.12 1h2i h PRO 198 Ca 0.18 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.36 1h2i h PRO 198 Cb 0.89 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 1h2i h PRO 198 CO 0.45 -0.07 -0.40 0.66 -0.21 0.00 0.00 178.00 178.42 1h2i h SER 199 N -0.12 -1.32 0.22 -2.05 4.64 -2.00 -1.14 113.55 111.78 1h2i h SER 199 Ca 0.24 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1h2i h SER 199 Cb 0.50 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1h2i h SER 199 CO -0.61 -0.37 -0.11 0.58 -0.87 0.00 0.00 176.83 175.45 1h2i h VAL 200 N -0.35 0.80 -0.61 0.95 2.07 -1.84 -2.50 116.25 114.77 1h2i h VAL 200 Ca 0.13 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.72 1h2i h VAL 200 Cb 0.58 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1h2i h VAL 200 CO -0.52 0.02 0.43 -0.08 0.02 0.00 0.00 177.57 177.43 1h2i h GLU 201 N -0.33 0.18 0.42 1.57 4.57 -0.43 0.22 114.58 120.77 1h2i h GLU 201 Ca -0.03 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1h2i h GLU 201 Cb 0.26 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1h2i h GLU 201 CO 0.05 0.12 -0.20 0.93 -1.18 0.00 0.00 179.01 178.72 1h2i h GLU 202 N 0.18 -0.54 -0.81 1.92 5.08 -1.02 -1.21 114.58 118.18 1h2i h GLU 202 Ca 0.29 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.85 1h2i h GLU 202 Cb 0.91 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.19 1h2i h GLU 202 CO -0.05 -0.36 0.36 0.00 -1.00 0.00 0.00 179.01 177.96 1h2i h ALA 203 N -1.32 1.20 0.81 3.43 0.00 -0.96 -0.56 119.26 121.85 1h2i h ALA 203 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 203 Cb 0.43 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1h2i h ALA 203 CO 0.09 -0.19 -0.39 -0.09 0.00 0.00 0.00 179.25 178.67 1h2i h ARG 204 N 0.50 -1.05 -0.96 0.00 2.43 -0.61 -1.99 114.38 112.70 1h2i h ARG 204 Ca 0.46 0.07 0.27 0.00 -0.81 0.00 0.00 59.98 59.97 1h2i h ARG 204 Cb 0.71 0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.45 1h2i h ARG 204 CO -0.41 -0.70 0.68 -0.92 -1.51 0.00 0.00 179.97 177.11 1h2i h TYR 205 N -1.09 0.13 -0.01 2.20 3.20 -0.45 0.48 116.97 121.44 1h2i h TYR 205 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1h2i h TYR 205 Cb 0.83 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1h2i h TYR 205 CO -0.02 0.02 -0.04 0.09 -1.64 0.00 0.00 178.16 176.57 1h2i n ASN 206 N -4.32 0.74 -0.52 -2.11 3.02 -0.29 -3.73 115.26 108.06 1h2i n ASN 206 Ca 0.21 -1.06 0.13 0.00 -0.03 0.00 0.00 54.58 53.82 1h2i n ASN 206 Cb 0.97 -0.01 0.27 0.00 -0.61 0.00 0.00 39.78 40.41 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 -0.54 1.81 -1.75 6.41 3.41 0.17 -3.99 113.62 119.14 1h2i n SER 207 Ca 0.19 -1.44 -0.01 0.00 -0.26 0.00 0.00 58.87 57.35 1h2i n SER 207 Cb 0.26 0.14 0.29 0.00 -0.26 0.00 0.00 64.21 64.64 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88