#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 -2.76 2.62 0.00 0.00 7.35 -1.26 -1.66 117.46 121.75 1h2i n PHE 26 Ca 0.07 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1h2i n PHE 26 Cb 0.24 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.54 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 1.92 1.40 0.01 7.13 0.00 -0.32 -4.85 105.19 110.48 1h2i n GLY 27 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 2.51 -2.24 1.61 6.02 -0.67 -4.02 117.38 118.60 1h2i n GLN 28 Ca 0.00 -1.46 -0.28 0.00 -0.01 0.00 0.00 57.00 55.25 1h2i n GLN 28 Cb 0.00 -0.97 0.03 0.00 1.02 0.00 0.00 30.24 30.31 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 -5.06 1.39 0.26 0.00 0.74 -1.26 -4.22 119.66 111.50 1h2i s GLN 30 Ca 0.54 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 1h2i s GLN 30 Cb -0.11 -1.23 -0.09 0.00 1.10 0.00 0.00 33.01 32.68 1h2i s GLN 30 CO 0.48 0.15 1.26 0.71 -0.55 0.00 0.00 175.29 177.34 1h2i s TYR 31 N 0.22 3.26 0.62 1.67 1.51 -1.26 -5.00 117.35 118.37 1h2i s TYR 31 Ca -0.05 1.39 -0.15 0.00 -1.01 0.00 0.00 57.07 57.25 1h2i s TYR 31 Cb -0.11 -3.56 -0.02 0.00 -0.11 0.00 0.00 41.96 38.16 1h2i s TYR 31 CO 0.02 -1.58 1.07 0.95 -1.11 0.00 0.00 175.55 174.89 1h2i s THR 32 N -0.58 3.71 0.28 -0.71 -4.23 -1.26 -4.80 115.64 108.05 1h2i s THR 32 Ca 0.51 0.77 0.01 0.00 -1.18 0.00 0.00 61.69 61.80 1h2i s THR 32 Cb -0.37 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.43 1h2i s THR 32 CO 0.44 -0.52 1.82 0.00 -0.54 0.00 0.00 174.62 175.82 1h2i h ALA 33 N 0.17 1.47 -0.01 3.99 0.00 -1.99 -0.56 119.26 122.34 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 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1h2i h ALA 33 CO 0.56 0.18 0.00 1.49 0.00 0.00 0.00 179.25 181.48 1h2i h GLU 34 N 0.94 0.01 -0.53 0.00 4.81 -1.99 -0.63 114.58 117.19 1h2i h GLU 34 Ca 0.49 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.62 1h2i h GLU 34 Cb 0.51 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1h2i h GLU 34 CO -0.28 0.20 -0.04 1.49 -0.73 0.00 0.00 179.01 179.65 1h2i h GLU 35 N -0.18 0.96 0.00 1.92 4.81 -1.86 -1.71 114.58 118.52 1h2i h GLU 35 Ca 0.00 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1h2i h GLU 35 Cb 0.19 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1h2i h GLU 35 CO -0.00 0.99 -0.16 -0.92 -0.73 0.00 0.00 179.01 178.19 1h2i h TYR 36 N 0.83 -0.42 -0.34 0.92 3.20 -1.04 -1.21 116.97 118.91 1h2i h TYR 36 Ca 0.14 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1h2i h TYR 36 Cb 0.58 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1h2i h TYR 36 CO 0.04 -0.23 0.18 0.37 -1.64 0.00 0.00 178.16 176.88 1h2i h GLN 37 N -0.27 0.36 -0.42 1.82 4.15 -0.99 0.65 115.11 120.42 1h2i h GLN 37 Ca 0.05 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1h2i h GLN 37 Cb 0.33 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 1h2i h GLN 37 CO -0.15 0.24 0.19 0.00 -1.93 0.00 0.00 178.83 177.18 1h2i h ALA 38 N 1.17 0.52 -0.35 3.38 0.00 -1.07 -2.36 119.26 120.55 1h2i h ALA 38 Ca 0.14 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1h2i h ALA 38 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h2i h ALA 38 CO -0.09 -0.17 -0.17 0.82 0.00 0.00 0.00 179.25 179.64 1h2i h ILE 39 N 0.40 1.29 -0.49 0.00 2.04 -0.95 -0.74 117.51 119.05 1h2i h ILE 39 Ca 0.18 -1.29 0.09 0.00 1.00 0.00 0.00 64.86 64.85 1h2i h ILE 39 Cb 0.11 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1h2i h ILE 39 CO -0.15 0.42 0.01 1.56 0.00 0.00 0.00 178.15 180.00 1h2i h GLN 40 N 0.52 0.12 0.36 2.37 1.08 -0.65 0.46 115.11 119.37 1h2i h GLN 40 Ca 0.08 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1h2i h GLN 40 Cb 0.71 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1h2i h GLN 40 CO 0.05 0.08 -0.18 0.87 -0.95 0.00 0.00 178.83 178.71 1h2i h LYS 41 N 0.13 -0.47 -0.96 1.46 1.57 -1.35 -3.19 116.57 113.76 1h2i h LYS 41 Ca 0.25 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.25 1h2i h LYS 41 Cb 0.36 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.69 1h2i h LYS 41 CO -0.40 -0.18 0.61 0.00 -0.57 0.00 0.00 179.45 178.91 1h2i h ALA 42 N -0.21 1.92 0.00 3.86 0.00 -0.68 -0.61 119.26 123.53 1h2i h ALA 42 Ca -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 42 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h2i h ALA 42 CO 0.08 -0.24 -0.13 -0.07 0.00 0.00 0.00 179.25 178.89 1h2i h LEU 43 N 0.61 0.00 -1.13 0.00 3.38 -0.90 -2.91 115.31 114.37 1h2i h LEU 43 Ca 0.52 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.41 1h2i h LEU 43 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1h2i h LEU 43 CO -0.27 0.13 -0.25 0.03 0.09 0.00 0.00 178.44 178.17 1h2i h ARG 44 N 0.00 0.31 -6.53 1.13 3.08 -1.13 0.10 114.38 111.35 1h2i h ARG 44 Ca -0.00 -0.10 -0.60 0.00 0.07 0.00 0.00 59.98 59.35 1h2i h ARG 44 Cb 0.37 -0.02 0.11 0.00 0.08 0.00 0.00 29.97 30.51 1h2i h ARG 44 CO 0.02 0.54 0.17 1.04 -1.07 0.00 0.00 179.97 180.67 1h2i n GLN 45 N -4.15 1.44 -3.05 0.04 6.02 -1.10 -4.54 117.38 112.04 1h2i n GLN 45 Ca -0.01 0.51 -0.27 0.00 -0.01 0.00 0.00 57.00 57.22 1h2i n GLN 45 Cb 0.37 -1.93 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 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 -1.67 3.57 0.04 -1.09 1.81 -1.26 -1.16 118.95 119.20 1h2i s ARG 46 Ca 0.59 0.02 -0.03 0.00 -1.72 0.00 0.00 55.73 54.59 1h2i s ARG 46 Cb -0.66 -2.53 -0.04 0.00 -0.45 0.00 0.00 34.95 31.27 1h2i s ARG 46 CO 0.60 0.02 0.25 -0.48 -0.68 0.00 0.00 175.30 175.00 1h2i s LEU 47 N -4.23 4.35 1.17 2.53 2.34 -1.26 -4.92 118.68 118.65 1h2i s LEU 47 Ca 0.45 0.42 -0.16 0.00 0.06 0.00 0.00 54.13 54.90 1h2i s LEU 47 Cb -0.10 -2.86 0.27 0.00 -0.56 0.00 0.00 46.19 42.94 1h2i s LEU 47 CO 0.37 0.19 1.06 -0.83 -1.06 0.00 0.00 176.35 176.09 1h2i s GLY 48 N -2.14 1.54 0.59 -3.48 0.00 -1.26 -4.90 107.32 97.67 1h2i s GLY 48 Ca 0.32 -0.59 0.29 0.00 0.00 0.00 0.00 44.72 44.74 1h2i s GLY 48 CO 0.22 0.20 2.24 -2.55 0.00 0.00 0.00 173.10 173.21 1h2i h PRO 49 N -2.51 0.00 0.00 2.90 0.11 -1.96 -2.17 132.00 128.36 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 -3.88 0.11 -0.09 1.05 0.00 -1.26 -2.64 120.64 113.92 1h2i n GLU 50 Ca -0.03 0.22 -0.12 0.00 0.00 0.00 0.00 57.16 57.24 1h2i n GLU 50 Cb 0.09 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.92 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 -1.31 0.00 -2.68 -1.84 4.02 -0.82 -5.00 117.16 109.53 1h2i n TYR 51 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 1h2i n TYR 51 Cb 0.08 -0.82 -0.04 0.00 -0.02 0.00 0.00 39.34 38.54 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 -2.41 4.37 0.34 -0.72 -1.09 -1.08 -4.44 121.20 116.18 1h2i s ILE 52 Ca -0.19 1.98 0.03 0.00 -2.23 0.00 0.00 60.65 60.24 1h2i s ILE 52 Cb 0.06 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1h2i s ILE 52 CO 0.58 0.31 0.11 -0.94 -1.23 0.00 0.00 174.94 173.76 1h2i s SER 53 N -0.01 2.23 0.16 3.58 1.04 -0.45 -4.98 113.70 115.27 1h2i s SER 53 Ca 0.48 -1.52 -0.13 0.00 0.48 0.00 0.00 55.95 55.25 1h2i s SER 53 Cb -0.25 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1h2i s SER 53 CO 0.31 -0.79 0.38 -0.94 0.98 0.00 0.00 173.24 173.18 1h2i s SER 54 N -3.49 -0.11 0.22 7.02 1.04 -1.26 -1.45 113.70 115.67 1h2i s SER 54 Ca 0.32 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 1h2i s SER 54 Cb 0.06 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 1h2i s SER 54 CO 0.15 -0.93 0.25 0.00 0.98 0.00 0.00 173.24 173.70 1h2i s ARG 55 N -3.89 1.34 -0.27 4.02 1.70 -0.66 -4.96 118.95 116.23 1h2i s ARG 55 Ca 0.10 -1.52 -0.16 0.00 -0.47 0.00 0.00 55.73 53.68 1h2i s ARG 55 Cb 0.02 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.05 -0.49 0.42 -1.64 -1.08 0.00 0.00 175.30 172.47 1h2i s MET 56 N -4.07 4.02 0.73 3.89 -1.94 -1.26 -1.39 119.30 119.28 1h2i s MET 56 Ca 0.34 0.12 -0.11 0.00 -1.71 0.00 0.00 55.69 54.33 1h2i s MET 56 Cb 0.04 -3.66 0.03 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.12 -0.31 1.08 0.00 -0.01 0.00 0.00 175.02 175.90 1h2i s ALA 57 N 2.15 2.56 0.34 3.03 0.00 0.35 -4.88 121.76 125.32 1h2i s ALA 57 Ca 0.17 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1h2i s ALA 57 Cb -0.16 -3.12 0.72 0.00 0.00 0.00 0.00 23.12 20.57 1h2i s ALA 57 CO 0.10 -1.38 1.91 0.78 0.00 0.00 0.00 175.76 177.16 1h2i h GLY 58 N -0.83 1.16 -0.83 0.00 0.00 -1.98 0.21 103.07 100.80 1h2i h GLY 58 Ca -0.45 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1h2i h GLY 58 CO 0.59 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.93 1h2i n GLY 59 N -1.43 0.62 3.57 4.60 0.00 -1.26 -4.74 105.19 106.55 1h2i n GLY 59 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.19 -0.53 3.06 -0.02 0.00 0.06 -4.98 105.19 102.97 1h2i n GLY 60 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.28 1.14 0.38 1.61 -2.07 -1.21 -4.89 119.66 108.34 1h2i s GLN 61 Ca 0.55 -0.42 -0.27 0.00 -1.82 0.00 0.00 55.36 53.40 1h2i s GLN 61 Cb -0.26 -1.06 -0.11 0.00 -1.09 0.00 0.00 33.01 30.50 1h2i s GLN 61 CO 0.68 0.21 1.37 1.17 -1.32 0.00 0.00 175.29 177.40 1h2i n LYS 62 N 3.04 2.30 -3.78 9.60 4.81 -1.26 -0.49 118.16 132.37 1h2i n LYS 62 Ca -0.16 0.81 -0.23 0.00 -0.87 0.00 0.00 58.31 57.85 1h2i n LYS 62 Cb 0.55 -2.50 -0.18 0.00 0.02 0.00 0.00 35.03 32.92 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 -1.14 0.42 0.24 3.15 1.01 -0.49 -4.84 120.40 118.76 1h2i s VAL 63 Ca 0.56 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1h2i s VAL 63 Cb -0.51 -0.57 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1h2i s VAL 63 CO 0.61 0.27 0.55 0.00 0.00 0.00 0.00 175.10 176.53 1h2i s TYR 65 N -1.89 -0.19 -0.07 0.00 -0.85 -0.53 -4.98 117.35 108.84 1h2i s TYR 65 Ca 0.46 -0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.98 1h2i s TYR 65 Cb -0.11 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1h2i s TYR 65 CO 0.24 -0.73 -0.12 0.42 -1.52 0.00 0.00 175.55 173.84 1h2i s ILE 66 N -3.22 3.24 0.21 -3.49 1.01 -1.26 -1.35 121.20 116.35 1h2i s ILE 66 Ca 0.10 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 1h2i s ILE 66 Cb -0.01 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.08 1h2i s ILE 66 CO -0.01 0.58 1.07 -1.61 0.00 0.00 0.00 174.94 174.97 1h2i s GLU 67 N -0.56 4.65 0.27 2.79 2.02 -1.26 -4.91 118.70 121.70 1h2i s GLU 67 Ca 0.08 1.70 -0.07 0.00 0.02 0.00 0.00 54.97 56.70 1h2i s GLU 67 Cb -0.12 -3.26 0.48 0.00 0.10 0.00 0.00 34.13 31.33 1h2i s GLU 67 CO 0.02 0.18 1.58 0.78 0.02 0.00 0.00 175.26 177.84 1h2i h GLY 68 N 4.64 0.79 2.00 -1.39 0.00 -1.98 0.23 103.07 107.36 1h2i h GLY 68 Ca -0.45 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1h2i h GLY 68 CO 0.70 -0.37 -0.03 1.12 0.00 0.00 0.00 176.54 177.96 1h2i h HIS 69 N 0.01 0.00 -0.14 5.60 2.07 -2.00 -0.10 115.15 120.60 1h2i h HIS 69 Ca 0.47 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.82 1h2i h HIS 69 Cb 0.78 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.77 1h2i h HIS 69 CO -0.65 0.03 -0.57 0.00 -3.07 0.00 0.00 177.93 173.67 1h2i h ARG 70 N 0.00 0.63 -0.59 5.12 2.47 -0.93 -2.51 114.38 118.57 1h2i h ARG 70 Ca -0.00 -0.49 -0.02 0.00 -1.26 0.00 0.00 59.98 58.21 1h2i h ARG 70 Cb 0.06 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1h2i h ARG 70 CO 0.00 1.11 0.30 0.28 0.56 0.00 0.00 179.97 182.23 1h2i h VAL 71 N 0.28 1.20 -0.45 2.04 2.07 -0.93 0.17 116.25 120.63 1h2i h VAL 71 Ca -0.03 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1h2i h VAL 71 Cb 1.20 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1h2i h VAL 71 CO 0.12 0.23 0.23 0.40 0.02 0.00 0.00 177.57 178.57 1h2i h ILE 72 N 0.80 0.98 -0.25 4.57 2.04 -0.99 0.42 117.51 125.07 1h2i h ILE 72 Ca 0.21 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 1h2i h ILE 72 Cb 0.08 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1h2i h ILE 72 CO -0.03 0.08 -0.34 0.78 0.00 0.00 0.00 178.15 178.65 1h2i h ASN 73 N 0.47 0.57 -0.25 1.72 2.35 -1.03 0.19 115.58 119.59 1h2i h ASN 73 Ca 0.20 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1h2i h ASN 73 Cb 0.09 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1h2i h ASN 73 CO -0.13 0.86 0.12 -0.07 -1.65 0.00 0.00 177.43 176.56 1h2i h LEU 74 N 0.46 0.18 0.04 1.61 3.38 0.07 -1.02 115.31 120.04 1h2i h LEU 74 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1h2i h LEU 74 Cb 0.81 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1h2i h LEU 74 CO 0.07 0.14 -0.03 0.00 0.09 0.00 0.00 178.44 178.70 1h2i h ALA 75 N 1.13 -0.07 -0.86 1.53 0.00 -0.50 0.81 119.26 121.30 1h2i h ALA 75 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1h2i h ALA 75 Cb 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1h2i h ALA 75 CO -0.07 -0.54 0.57 -0.91 0.00 0.00 0.00 179.25 178.29 1h2i h ASN 76 N -0.08 0.94 0.53 0.00 2.35 -0.73 0.17 115.58 118.76 1h2i h ASN 76 Ca 0.00 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1h2i h ASN 76 Cb 0.08 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1h2i h ASN 76 CO -0.01 0.66 -0.87 -0.33 -1.65 0.00 0.00 177.43 175.22 1h2i h GLU 77 N 1.10 0.23 -0.09 0.81 4.39 -0.93 0.39 114.58 120.47 1h2i h GLU 77 Ca 0.33 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1h2i h GLU 77 Cb -0.02 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1h2i h GLU 77 CO -0.09 0.97 -0.20 1.98 -1.16 0.00 0.00 179.01 180.51 1h2i h MET 78 N 0.13 0.29 0.00 2.33 4.05 -0.23 -3.38 114.93 118.12 1h2i h MET 78 Ca -0.05 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1h2i h MET 78 Cb 1.49 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.32 1h2i h MET 78 CO 0.14 0.79 -0.61 1.19 0.23 0.00 0.00 176.91 178.65 1h2i n PHE 79 N -4.54 0.00 0.00 1.39 3.72 -0.01 -4.98 117.46 113.05 1h2i n PHE 79 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1h2i n PHE 79 Cb 0.41 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 1.32 1.59 0.31 1.37 0.00 0.14 -3.31 105.19 106.60 1h2i n GLY 80 Ca 0.02 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.45 1.61 -0.00 -1.89 -0.98 116.97 115.26 1h2i h TYR 81 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 1h2i h TYR 81 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 1h2i h TYR 81 CO 0.00 0.00 0.03 0.27 -0.00 0.00 0.00 178.16 178.46 1h2i n ASN 82 N -4.40 4.74 -0.03 0.10 2.04 -1.26 -4.49 115.26 111.96 1h2i n ASN 82 Ca 0.01 -3.04 0.07 0.00 -0.44 0.00 0.00 54.58 51.19 1h2i n ASN 82 Cb 0.27 -0.63 -0.08 0.00 -2.53 0.00 0.00 39.78 36.81 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 -0.37 3.10 4.83 0.00 -0.37 -4.72 105.19 107.63 1h2i n GLY 83 Ca 0.27 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -2.36 0.38 0.21 1.61 1.48 -1.26 -1.27 118.94 117.75 1h2i s TRP 84 Ca 0.06 -0.85 -0.11 0.00 -1.06 0.00 0.00 56.10 54.14 1h2i s TRP 84 Cb 0.11 -0.28 -0.00 0.00 -1.16 0.00 0.00 33.47 32.14 1h2i s TRP 84 CO 0.59 -0.38 0.40 0.00 -4.06 0.00 0.00 176.95 173.50 1h2i s ALA 85 N -3.45 -0.13 -0.03 2.67 0.00 0.21 -4.96 121.76 116.07 1h2i s ALA 85 Ca 0.02 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 50.87 1h2i s ALA 85 Cb 0.04 1.02 0.05 0.00 0.00 0.00 0.00 23.12 24.23 1h2i s ALA 85 CO -0.08 -0.77 0.53 -3.38 0.00 0.00 0.00 175.76 172.06 1h2i s HIS 86 N -4.00 -0.46 0.08 0.00 -3.43 -1.26 0.07 115.29 106.29 1h2i s HIS 86 Ca 0.21 0.75 -0.03 0.00 -0.80 0.00 0.00 55.06 55.18 1h2i s HIS 86 Cb 0.01 0.29 -0.03 0.00 -1.43 0.00 0.00 32.58 31.42 1h2i s HIS 86 CO 0.05 -0.54 0.05 -1.54 -2.00 0.00 0.00 174.74 170.77 1h2i s SER 87 N -1.34 0.35 -0.49 7.38 1.04 -0.21 -4.98 113.70 115.46 1h2i s SER 87 Ca -0.11 -0.94 -0.15 0.00 0.48 0.00 0.00 55.95 55.22 1h2i s SER 87 Cb -0.02 0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.45 1h2i s SER 87 CO 0.07 -0.66 0.42 -0.63 0.98 0.00 0.00 173.24 173.41 1h2i s ILE 88 N -3.93 5.14 0.36 -1.02 1.01 -1.26 -1.00 121.20 120.51 1h2i s ILE 88 Ca 0.10 -1.22 0.10 0.00 0.00 0.00 0.00 60.65 59.62 1h2i s ILE 88 Cb 0.07 -4.15 0.11 0.00 0.01 0.00 0.00 42.46 38.51 1h2i s ILE 88 CO -0.08 -0.66 1.84 0.71 0.00 0.00 0.00 174.94 176.75 1h2i h THR 89 N 5.82 1.23 -1.40 2.92 1.35 -1.24 -3.46 112.91 118.13 1h2i h THR 89 Ca -0.28 -1.07 0.13 0.00 -0.55 0.00 0.00 66.41 64.63 1h2i h THR 89 Cb 1.10 1.44 -0.26 0.00 -1.73 0.00 0.00 68.15 68.71 1h2i h THR 89 CO 0.92 0.32 0.66 -1.58 -0.25 0.00 0.00 175.52 175.59 1h2i s GLN 90 N -4.46 0.39 -0.07 4.72 0.74 -1.21 -4.99 119.66 114.79 1h2i s GLN 90 Ca -0.05 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1h2i s GLN 90 Cb 0.15 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.46 1h2i s GLN 90 CO 0.74 -0.10 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.18 1h2i s GLN 91 N -0.70 1.11 -0.09 1.67 0.74 -1.26 -0.19 119.66 120.94 1h2i s GLN 91 Ca 0.03 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.29 1h2i s GLN 91 Cb -0.02 -1.12 0.01 0.00 1.10 0.00 0.00 33.01 32.98 1h2i s GLN 91 CO -0.04 -0.13 -0.13 1.21 -0.55 0.00 0.00 175.29 175.65 1h2i s ASN 92 N 1.18 2.13 -0.46 6.67 3.84 -0.09 -5.00 114.94 123.22 1h2i s ASN 92 Ca -0.06 -0.36 -0.28 0.00 0.21 0.00 0.00 52.86 52.37 1h2i s ASN 92 Cb -0.14 -0.95 0.03 0.00 -0.55 0.00 0.00 41.25 39.64 1h2i s ASN 92 CO -0.02 0.01 1.10 -0.69 -2.79 0.00 0.00 177.10 174.71 1h2i s VAL 93 N 0.91 4.28 0.18 -5.21 1.01 -1.26 -1.62 120.40 118.69 1h2i s VAL 93 Ca -0.09 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.02 1h2i s VAL 93 Cb -0.15 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.68 1h2i s VAL 93 CO 0.00 -0.92 1.58 0.44 0.00 0.00 0.00 175.10 176.20 1h2i h ASP 94 N 9.07 0.93 -4.19 3.32 3.45 -0.97 -3.48 116.42 124.56 1h2i h ASP 94 Ca -0.23 -0.35 0.16 0.00 0.43 0.00 0.00 57.03 57.04 1h2i h ASP 94 Cb 1.06 -0.26 -0.20 0.00 -0.56 0.00 0.00 39.33 39.37 1h2i h ASP 94 CO 1.10 1.12 0.66 0.72 -1.57 0.00 0.00 179.24 181.27 1h2i s PHE 95 N -4.62 -0.25 -0.32 4.55 -0.12 -1.17 -4.99 117.98 111.05 1h2i s PHE 95 Ca -0.10 0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 57.05 1h2i s PHE 95 Cb 0.12 0.50 0.11 0.00 -0.63 0.00 0.00 43.02 43.12 1h2i s PHE 95 CO 0.86 -0.32 0.15 0.08 -0.05 0.00 0.00 175.22 175.93 1h2i s VAL 96 N -2.04 0.31 -0.09 -2.49 1.01 -1.26 -2.61 120.40 113.24 1h2i s VAL 96 Ca 0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 1h2i s VAL 96 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1h2i s VAL 96 CO -0.04 -0.78 0.04 -1.81 0.00 0.00 0.00 175.10 172.50 1h2i s ASP 97 N 1.65 5.51 -0.33 3.32 1.01 0.25 -4.94 116.67 123.14 1h2i s ASP 97 Ca 0.12 0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.58 1h2i s ASP 97 Cb -0.18 -1.61 0.07 0.00 1.01 0.00 0.00 42.92 42.21 1h2i s ASP 97 CO -0.24 0.38 0.05 -0.22 0.21 0.00 0.00 175.17 175.35 1h2i s LEU 98 N -0.97 4.29 0.00 1.23 2.96 -1.26 0.53 118.68 125.46 1h2i s LEU 98 Ca 0.14 -1.57 0.12 0.00 -0.22 0.00 0.00 54.13 52.61 1h2i s LEU 98 Cb -0.11 -1.72 0.13 0.00 0.50 0.00 0.00 46.19 44.99 1h2i s LEU 98 CO 0.03 -0.34 0.95 0.59 -1.32 0.00 0.00 176.35 176.26 1h2i n ASN 99 N 4.56 2.17 0.00 3.68 5.03 -0.85 -4.97 115.26 124.88 1h2i n ASN 99 Ca -0.09 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.78 1h2i n ASN 99 Cb 0.43 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 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 0.69 0.00 0.00 6.41 3.02 -1.26 -4.92 115.26 119.20 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 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 3.58 7.41 0.00 -1.26 -5.03 105.19 112.56 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 2.10 -0.08 1.61 1.02 -1.26 -4.49 119.74 117.70 1h2i s LYS 102 Ca 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 1h2i s LYS 102 Cb 0.00 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1h2i s LYS 102 CO 0.00 0.44 0.03 -0.06 -0.92 0.00 0.00 175.35 174.85 1h2i s PHE 103 N -1.67 3.25 -0.20 3.18 0.40 0.01 -2.01 117.98 120.94 1h2i s PHE 103 Ca 0.25 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.85 1h2i s PHE 103 Cb -0.09 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.67 1h2i s PHE 103 CO 0.15 0.53 -0.16 0.71 0.70 0.00 0.00 175.22 177.15 1h2i s TYR 104 N -0.95 2.85 -0.05 0.36 1.51 0.19 -1.67 117.35 119.60 1h2i s TYR 104 Ca 0.15 -1.81 0.03 0.00 -1.01 0.00 0.00 57.07 54.42 1h2i s TYR 104 Cb -0.12 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1h2i s TYR 104 CO 0.04 -0.82 -0.12 0.08 -1.11 0.00 0.00 175.55 173.62 1h2i s VAL 105 N 1.26 1.09 -0.13 0.71 1.01 0.24 -0.58 120.40 123.99 1h2i s VAL 105 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1h2i s VAL 105 Cb -0.15 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1h2i s VAL 105 CO -0.10 0.33 -0.16 -0.83 0.00 0.00 0.00 175.10 174.35 1h2i s GLY 106 N 0.42 1.11 -0.01 4.51 0.00 -1.07 -1.91 107.32 110.37 1h2i s GLY 106 Ca -0.09 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.83 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 1.15 0.91 0.14 1.40 1.01 -0.19 -0.23 120.40 124.59 1h2i s VAL 107 Ca -0.02 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.53 1h2i s VAL 107 Cb -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1h2i s VAL 107 CO -0.05 0.23 -0.25 0.00 0.00 0.00 0.00 175.10 175.03 1h2i s ALA 109 N -1.27 0.48 -0.22 0.00 0.00 0.02 -0.91 121.76 119.86 1h2i s ALA 109 Ca 0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1h2i s ALA 109 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1h2i s ALA 109 CO 0.07 0.03 -0.03 -0.06 0.00 0.00 0.00 175.76 175.77 1h2i s PHE 110 N -0.79 2.97 -0.11 0.00 0.40 0.73 -0.69 117.98 120.50 1h2i s PHE 110 Ca -0.05 -0.88 0.02 0.00 -0.60 0.00 0.00 56.93 55.42 1h2i s PHE 110 Cb -0.06 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 1h2i s PHE 110 CO 0.00 -0.52 -0.18 0.08 0.70 0.00 0.00 175.22 175.30 1h2i s VAL 111 N 1.48 2.66 -0.23 -0.44 1.01 -0.50 -0.64 120.40 123.74 1h2i s VAL 111 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1h2i s VAL 111 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1h2i s VAL 111 CO -0.03 0.55 -0.06 -0.60 0.00 0.00 0.00 175.10 174.96 1h2i s ARG 112 N 0.18 3.18 0.01 2.72 3.52 -0.17 -1.58 118.95 126.81 1h2i s ARG 112 Ca -0.10 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1h2i s ARG 112 Cb -0.16 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1h2i s ARG 112 CO 0.06 -0.27 -0.01 0.54 -0.81 0.00 0.00 175.30 174.82 1h2i s VAL 113 N 1.42 4.07 0.02 7.11 0.11 -0.05 -1.04 120.40 132.04 1h2i s VAL 113 Ca 0.04 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1h2i s VAL 113 Cb -0.15 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1h2i s VAL 113 CO -0.04 0.34 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.46 1h2i s GLN 114 N -1.64 0.30 0.40 1.54 0.74 0.11 -1.81 119.66 119.29 1h2i s GLN 114 Ca 0.20 -0.58 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1h2i s GLN 114 Cb -0.11 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.09 1h2i s GLN 114 CO 0.11 -0.05 0.58 -0.51 -0.55 0.00 0.00 175.29 174.87 1h2i s LEU 115 N -1.39 3.80 0.03 3.68 1.02 -0.43 0.66 118.68 126.05 1h2i s LEU 115 Ca -0.15 0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.11 1h2i s LEU 115 Cb -0.10 -2.97 0.22 0.00 0.02 0.00 0.00 46.19 43.36 1h2i s LEU 115 CO -0.01 -0.58 1.15 2.29 0.02 0.00 0.00 176.35 179.22 1h2i n LYS 116 N -1.88 0.01 -0.05 1.70 2.85 -0.40 -1.18 118.16 119.21 1h2i n LYS 116 Ca 0.01 0.47 -0.16 0.00 -1.05 0.00 0.00 58.31 57.57 1h2i n LYS 116 Cb 0.58 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 33.36 1h2i n LYS 116 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1h2i h ASP 117 N 0.00 0.97 0.00 -5.58 -0.00 -1.84 -0.46 116.42 109.50 1h2i h ASP 117 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.03 56.46 1h2i h ASP 117 Cb 0.05 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.10 1h2i h ASP 117 CO 0.00 1.37 0.00 0.61 -0.00 0.00 0.00 179.24 181.22 1h2i n GLY 118 N 0.52 1.63 3.76 -0.78 0.00 -0.33 -4.55 105.19 105.43 1h2i n GLY 118 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.85 4.69 0.13 1.61 1.04 -1.26 -4.77 113.70 113.29 1h2i s SER 119 Ca 0.00 2.03 -0.24 0.00 0.48 0.00 0.00 55.95 58.22 1h2i s SER 119 Cb 0.00 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.64 1h2i s SER 119 CO 0.00 -1.91 0.71 -0.72 0.98 0.00 0.00 173.24 172.30 1h2i s TYR 120 N -2.42 -0.43 -0.05 5.02 -0.85 -1.26 -1.31 117.35 116.05 1h2i s TYR 120 Ca 0.67 0.21 -0.08 0.00 -0.52 0.00 0.00 57.07 57.35 1h2i s TYR 120 Cb -0.21 0.57 0.02 0.00 0.38 0.00 0.00 41.96 42.72 1h2i s TYR 120 CO 0.46 -0.81 0.20 -1.01 -1.52 0.00 0.00 175.55 172.88 1h2i s HIS 121 N -3.57 -0.15 0.01 -3.49 3.76 -0.75 -5.00 115.29 106.10 1h2i s HIS 121 Ca 0.04 0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.31 1h2i s HIS 121 Cb -0.02 0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 1h2i s HIS 121 CO -0.09 -0.19 -0.09 -2.00 -0.85 0.00 0.00 174.74 171.52 1h2i s GLU 122 N -0.46 0.64 0.29 1.40 2.12 -1.26 -0.87 118.70 120.56 1h2i s GLU 122 Ca -0.06 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1h2i s GLU 122 Cb -0.04 -0.58 -0.00 0.00 0.26 0.00 0.00 34.13 33.77 1h2i s GLU 122 CO 0.01 0.15 0.46 0.34 -0.54 0.00 0.00 175.26 175.68 1h2i s ASP 123 N -0.69 0.38 0.04 -1.70 -1.08 -0.61 -4.90 116.67 108.10 1h2i s ASP 123 Ca -0.00 -1.23 -0.01 0.00 -0.52 0.00 0.00 52.55 50.79 1h2i s ASP 123 Cb -0.05 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1h2i s ASP 123 CO 0.00 -1.21 0.20 -0.69 0.52 0.00 0.00 175.17 173.99 1h2i s VAL 124 N -3.52 5.38 0.07 1.11 1.01 -1.26 -1.41 120.40 121.79 1h2i s VAL 124 Ca 0.27 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1h2i s VAL 124 Cb -0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1h2i s VAL 124 CO 0.14 0.19 -0.16 -0.83 0.00 0.00 0.00 175.10 174.44 1h2i s GLY 125 N -2.34 0.97 0.09 4.51 0.00 0.14 -4.47 107.32 106.21 1h2i s GLY 125 Ca 0.33 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 44.09 1h2i s GLY 125 CO 0.25 -1.05 -0.22 -0.47 0.00 0.00 0.00 173.10 171.62 1h2i s TYR 126 N -1.14 1.87 -0.05 1.90 5.04 -1.26 -0.80 117.35 122.91 1h2i s TYR 126 Ca 0.02 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 1h2i s TYR 126 Cb -0.10 -1.05 0.00 0.00 0.35 0.00 0.00 41.96 41.17 1h2i s TYR 126 CO 0.03 0.20 -0.15 0.20 -1.34 0.00 0.00 175.55 174.49 1h2i s GLY 127 N -1.75 0.84 0.03 8.97 0.00 0.24 -3.74 107.32 111.90 1h2i s GLY 127 Ca 0.08 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.29 1h2i s GLY 127 CO 0.04 -0.14 -0.14 0.14 0.00 0.00 0.00 173.10 172.99 1h2i s VAL 128 N 0.30 1.14 -0.20 1.40 1.01 -1.26 -1.02 120.40 121.77 1h2i s VAL 128 Ca -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1h2i s VAL 128 Cb -0.13 -1.02 0.09 0.00 0.00 0.00 0.00 36.38 35.33 1h2i s VAL 128 CO 0.03 0.08 0.24 -0.55 0.00 0.00 0.00 175.10 174.90 1h2i s SER 129 N -0.98 1.13 -0.08 3.32 0.15 -0.80 -4.53 113.70 111.91 1h2i s SER 129 Ca 0.03 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.63 1h2i s SER 129 Cb -0.07 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1h2i s SER 129 CO 0.01 -0.31 -0.16 -1.61 1.20 0.00 0.00 173.24 172.37 1h2i s GLU 130 N 2.36 2.15 0.00 5.44 2.02 -1.26 -0.59 118.70 128.82 1h2i s GLU 130 Ca 0.07 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1h2i s GLU 130 Cb -0.15 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1h2i s GLU 130 CO -0.12 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1h2i n GLY 131 N 3.75 3.29 3.72 -1.39 0.00 -0.67 -5.01 105.19 108.88 1h2i n GLY 131 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 2.78 0.00 0.99 1.43 -1.26 -4.56 118.68 118.06 1h2i s LEU 132 Ca 0.00 1.89 0.20 0.00 -1.03 0.00 0.00 54.13 55.19 1h2i s LEU 132 Cb 0.00 -4.41 -0.17 0.00 0.03 0.00 0.00 46.19 41.64 1h2i s LEU 132 CO 0.00 -2.55 0.89 0.29 0.23 0.00 0.00 176.35 175.21 1h2i n LYS 133 N -3.86 0.58 -3.37 1.70 5.02 -1.26 -0.81 118.16 116.16 1h2i n LYS 133 Ca 0.09 -0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 55.78 1h2i n LYS 133 Cb 0.53 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -2.78 6.33 0.03 4.39 0.15 -1.26 -4.84 113.70 115.72 1h2i s SER 134 Ca 0.10 0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.88 1h2i s SER 134 Cb 0.16 -2.23 -0.17 0.00 -1.71 0.00 0.00 66.02 62.07 1h2i s SER 134 CO 0.76 -0.17 1.40 0.50 1.20 0.00 0.00 173.24 176.93 1h2i h LYS 135 N 7.91 -0.26 -0.28 5.44 3.64 -1.98 -1.64 116.57 129.41 1h2i h LYS 135 Ca -0.32 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1h2i h LYS 135 Cb 1.16 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1h2i h LYS 135 CO 0.68 0.02 -0.15 0.00 -2.27 0.00 0.00 179.45 177.73 1h2i h ALA 136 N 0.21 0.06 -0.39 5.00 0.00 -1.99 0.28 119.26 122.42 1h2i h ALA 136 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 136 Cb 0.40 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1h2i h ALA 136 CO 0.04 -0.55 0.13 -0.07 0.00 0.00 0.00 179.25 178.80 1h2i h LEU 137 N -0.12 0.51 -0.02 0.00 -0.00 -1.97 -0.00 115.31 113.70 1h2i h LEU 137 Ca 0.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1h2i h LEU 137 Cb 0.34 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1h2i h LEU 137 CO -0.35 0.48 -0.01 0.28 -0.00 0.00 0.00 178.44 178.84 1h2i h SER 138 N 0.55 0.05 -0.15 -0.43 0.02 -0.22 -1.75 113.55 111.62 1h2i h SER 138 Ca 0.13 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1h2i h SER 138 Cb 0.15 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1h2i h SER 138 CO -0.01 0.43 0.09 -0.07 -1.14 0.00 0.00 176.83 176.13 1h2i h LEU 139 N -0.34 0.18 -0.62 5.07 -0.00 -0.81 -1.23 115.31 117.55 1h2i h LEU 139 Ca 0.01 -0.03 0.08 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 139 Cb 0.41 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 40.96 1h2i h LEU 139 CO 0.00 0.16 0.29 -0.08 -0.00 0.00 0.00 178.44 178.80 1h2i h GLU 140 N 0.18 0.50 -0.30 1.13 4.81 -0.99 -0.13 114.58 119.77 1h2i h GLU 140 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1h2i h GLU 140 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1h2i h GLU 140 CO -0.01 0.33 0.01 -0.22 -0.73 0.00 0.00 179.01 178.39 1h2i h LYS 141 N 0.51 0.53 -0.33 1.92 3.64 -1.00 -2.46 116.57 119.37 1h2i h LYS 141 Ca 0.30 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1h2i h LYS 141 Cb 0.31 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1h2i h LYS 141 CO -0.25 0.66 0.02 0.00 -2.27 0.00 0.00 179.45 177.61 1h2i h ALA 142 N 0.85 0.45 -0.27 5.00 0.00 -0.84 -1.97 119.26 122.48 1h2i h ALA 142 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1h2i h ALA 142 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1h2i h ALA 142 CO 0.01 0.18 0.09 0.00 0.00 0.00 0.00 179.25 179.54 1h2i h ARG 143 N 0.39 0.41 -0.53 0.00 3.08 -1.04 -1.72 114.38 114.96 1h2i h ARG 143 Ca 0.10 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1h2i h ARG 143 Cb 0.41 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1h2i h ARG 143 CO 0.01 0.46 0.01 0.87 -1.07 0.00 0.00 179.97 180.25 1h2i h LYS 144 N 0.27 0.88 -0.13 0.04 1.57 -1.42 -2.83 116.57 114.95 1h2i h LYS 144 Ca 0.09 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1h2i h LYS 144 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1h2i h LYS 144 CO -0.00 0.87 -0.53 0.93 -0.57 0.00 0.00 179.45 180.14 1h2i h GLU 145 N 0.82 0.39 -0.35 3.15 5.08 -1.25 -2.40 114.58 120.02 1h2i h GLU 145 Ca 0.16 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1h2i h GLU 145 Cb 0.47 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1h2i h GLU 145 CO 0.02 0.83 0.23 0.00 -1.00 0.00 0.00 179.01 179.08 1h2i h ALA 146 N 1.13 0.45 0.28 3.43 0.00 -1.14 0.34 119.26 123.74 1h2i h ALA 146 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 146 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1h2i h ALA 146 CO 0.09 -0.11 -0.13 0.28 0.00 0.00 0.00 179.25 179.38 1h2i h VAL 147 N 0.46 0.74 -0.88 0.00 2.07 -1.34 0.27 116.25 117.58 1h2i h VAL 147 Ca 0.13 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1h2i h VAL 147 Cb -0.04 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1h2i h VAL 147 CO -0.04 0.02 0.56 0.74 0.02 0.00 0.00 177.57 178.87 1h2i h THR 148 N -0.42 1.23 -0.71 2.57 2.02 -1.27 1.00 112.91 117.33 1h2i h THR 148 Ca -0.04 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1h2i h THR 148 Cb 0.32 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1h2i h THR 148 CO 0.06 0.23 0.38 -0.78 0.37 0.00 0.00 175.52 175.78 1h2i h ASP 149 N 1.20 0.90 -0.41 4.18 -0.00 -0.14 -0.76 116.42 121.38 1h2i h ASP 149 Ca 0.32 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 57.18 1h2i h ASP 149 Cb -0.11 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 38.98 1h2i h ASP 149 CO -0.07 0.75 0.03 1.23 -0.00 0.00 0.00 179.24 181.18 1h2i h GLY 150 N 0.98 0.76 0.97 -0.78 0.00 -0.08 -0.57 103.07 104.34 1h2i h GLY 150 Ca 0.25 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1h2i h GLY 150 CO -0.04 0.50 0.58 -2.00 0.00 0.00 0.00 176.54 175.58 1h2i h LEU 151 N 0.54 0.99 -0.15 3.11 5.85 -0.52 0.02 115.31 125.15 1h2i h LEU 151 Ca 0.12 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1h2i h LEU 151 Cb 0.44 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1h2i h LEU 151 CO 0.02 0.71 0.00 0.11 -0.34 0.00 0.00 178.44 178.94 1h2i h LYS 152 N 1.17 0.27 -0.74 1.25 1.57 -0.86 -1.68 116.57 117.55 1h2i h LYS 152 Ca 0.33 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1h2i h LYS 152 Cb -0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1h2i h LYS 152 CO -0.09 0.49 0.38 0.00 -0.57 0.00 0.00 179.45 179.66 1h2i h ARG 153 N 0.01 1.04 -0.38 3.15 3.08 -0.71 -1.66 114.38 118.91 1h2i h ARG 153 Ca 0.04 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1h2i h ARG 153 Cb 0.37 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1h2i h ARG 153 CO 0.01 0.78 0.14 0.00 -1.07 0.00 0.00 179.97 179.83 1h2i h ALA 154 N 1.38 0.50 -0.25 0.04 0.00 -0.87 -2.75 119.26 117.30 1h2i h ALA 154 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1h2i h ALA 154 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1h2i h ALA 154 CO -0.04 0.12 0.06 -0.07 0.00 0.00 0.00 179.25 179.32 1h2i h LEU 155 N 0.47 0.33 -1.71 0.00 -0.00 -0.87 -2.56 115.31 110.97 1h2i h LEU 155 Ca 0.13 -0.03 0.22 0.00 -0.00 0.00 0.00 57.88 58.19 1h2i h LEU 155 Cb 0.22 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 1h2i h LEU 155 CO -0.01 0.34 0.59 0.03 -0.00 0.00 0.00 178.44 179.39 1h2i h ARG 156 N 0.36 0.23 -0.21 1.13 3.08 -1.00 -1.18 114.38 116.79 1h2i h ARG 156 Ca 0.09 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1h2i h ARG 156 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1h2i h ARG 156 CO -0.00 0.15 0.23 0.77 -1.07 0.00 0.00 179.97 180.05 1h2i h SER 157 N 0.24 0.00 1.34 7.04 0.02 -1.54 -1.75 113.55 118.90 1h2i h SER 157 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1h2i h SER 157 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1h2i h SER 157 CO -0.11 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.32 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.41 -3.49 116.94 114.48 1h2i h PHE 158 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1h2i h PHE 158 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 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 0.63 0.33 0.15 -1.45 0.00 -0.66 -4.93 105.19 99.26 1h2i n GLY 159 Ca 0.03 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 0.39 0.00 1.61 2.35 -1.54 -1.36 115.58 117.03 1h2i h ASN 160 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1h2i h ASN 160 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1h2i h ASN 160 CO 0.00 0.35 0.30 0.00 -1.65 0.00 0.00 177.43 176.44 1h2i h ALA 161 N 1.05 1.30 -0.32 -0.83 0.00 0.71 0.25 119.26 121.42 1h2i h ALA 161 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h2i h ALA 161 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1h2i h ALA 161 CO -0.02 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.21 1h2i n LEU 162 N -2.85 3.65 0.00 0.00 7.99 -0.93 -4.93 117.00 119.92 1h2i n LEU 162 Ca -0.02 -2.61 0.00 0.00 -0.01 0.00 0.00 56.01 53.37 1h2i n LEU 162 Cb 0.35 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 1h2i n LEU 162 CO 0.13 0.70 0.00 0.61 -1.51 0.00 0.00 177.39 177.33 1h2i n GLY 163 N -0.01 0.96 0.28 -0.72 0.00 0.88 -3.82 105.19 102.76 1h2i n GLY 163 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.44 1.61 -0.00 -1.22 -2.51 115.58 113.02 1h2i h ASN 164 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 56.16 1h2i h ASN 164 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1h2i h ASN 164 CO 0.00 0.07 -0.28 0.00 -0.00 0.00 0.00 177.43 177.22 1h2i n ILE 166 N -4.10 0.00 0.04 0.00 0.00 -0.95 0.11 119.36 114.46 1h2i n ILE 166 Ca -0.01 0.73 0.04 0.00 0.00 0.00 0.00 62.75 63.51 1h2i n ILE 166 Cb 0.49 -1.25 0.09 0.00 0.00 0.00 0.00 39.64 38.97 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 2.38 -4.56 9.51 -0.00 -1.26 -4.91 117.00 115.46 1h2i n LEU 167 Ca 0.18 -1.65 -0.42 0.00 -0.00 0.00 0.00 56.01 54.12 1h2i n LEU 167 Cb 0.95 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 44.22 1h2i n LEU 167 CO 0.18 0.56 1.08 -0.62 -0.00 0.00 0.00 177.39 178.60 1h2i s ASP 168 N -0.90 6.35 0.45 1.45 3.68 0.30 -4.92 116.67 123.07 1h2i s ASP 168 Ca 0.15 -0.11 0.22 0.00 2.13 0.00 0.00 52.55 54.94 1h2i s ASP 168 Cb 0.09 -2.55 1.22 0.00 -1.45 0.00 0.00 42.92 40.23 1h2i s ASP 168 CO 0.12 -1.58 1.85 0.11 0.13 0.00 0.00 175.17 175.80 1h2i h LYS 169 N 9.68 0.27 -0.01 4.34 1.57 -1.91 0.70 116.57 131.21 1h2i h LYS 169 Ca -0.26 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.21 0.18 -0.56 -0.44 -0.57 0.00 0.00 179.45 179.27 1h2i h ASP 170 N 0.28 0.03 -0.07 0.86 3.32 -1.95 -0.83 116.42 118.06 1h2i h ASP 170 Ca 0.49 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.37 1h2i h ASP 170 Cb 1.43 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.98 1h2i h ASP 170 CO -0.15 0.58 -0.54 0.22 -1.72 0.00 0.00 179.24 177.64 1h2i h TYR 171 N 0.02 0.67 -0.27 4.55 3.20 -1.25 -2.46 116.97 121.43 1h2i h TYR 171 Ca -0.00 -0.32 0.01 0.00 3.14 0.00 0.00 58.73 61.55 1h2i h TYR 171 Cb 0.99 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1h2i h TYR 171 CO 0.00 1.11 0.17 -0.07 -1.64 0.00 0.00 178.16 177.73 1h2i h LEU 172 N 0.05 0.28 0.05 2.82 3.38 -1.09 -1.73 115.31 119.07 1h2i h LEU 172 Ca -0.05 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1h2i h LEU 172 Cb 1.20 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1h2i h LEU 172 CO 0.11 0.21 -0.30 -0.09 0.09 0.00 0.00 178.44 178.45 1h2i h ARG 173 N 0.35 -0.46 0.00 1.13 2.43 -1.18 -0.54 114.38 116.10 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 -0.02 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1h2i h ARG 173 CO -0.03 -0.31 0.00 -1.13 -1.51 0.00 0.00 179.97 176.99 1h2i n SER 174 N -5.40 0.00 0.09 -3.80 3.41 -0.93 -2.03 113.62 104.96 1h2i n SER 174 Ca -0.06 0.29 -0.20 0.00 -0.26 0.00 0.00 58.87 58.64 1h2i n SER 174 Cb 0.32 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.56 -1.46 1.04 3.38 -0.18 -3.29 115.31 115.35 1h2i h LEU 175 Ca 0.00 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 1h2i h LEU 175 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1h2i h LEU 175 CO 0.00 1.58 -0.05 0.78 0.09 0.00 0.00 178.44 180.84 1h2i h ASN 176 N 0.10 0.26 0.00 -0.43 2.35 -0.73 -2.77 115.58 114.36 1h2i h ASN 176 Ca -0.25 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1h2i h ASN 176 Cb 2.07 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.37 1h2i h ASN 176 CO 0.20 0.36 0.00 0.29 -1.65 0.00 0.00 177.43 176.63 1h2i n LYS 177 N -4.33 0.85 -4.47 0.81 5.02 -1.16 -4.80 118.16 110.09 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 0.22 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 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 2.60 0.52 -0.35 1.43 -1.05 -5.08 118.68 116.75 1h2i s LEU 178 Ca 0.00 -1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 51.72 1h2i s LEU 178 Cb 0.00 -0.84 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 1h2i s LEU 178 CO 0.00 -0.22 1.33 -2.84 0.23 0.00 0.00 176.35 174.85 1h2i s PRO 179 N -3.65 3.32 1.18 1.29 0.02 -1.26 -4.99 135.00 130.91 1h2i s PRO 179 Ca 0.30 2.18 -0.16 0.00 0.02 0.00 0.00 61.00 63.33 1h2i s PRO 179 Cb 0.02 -2.34 0.22 0.00 0.02 0.00 0.00 34.50 32.42 1h2i s PRO 179 CO 0.14 -1.03 0.51 -2.13 -0.33 0.00 0.00 177.00 174.16 1h2i n ARG 180 N -0.82 -2.36 -3.69 5.54 0.63 -1.26 -5.00 116.66 109.69 1h2i n ARG 180 Ca 0.09 -0.67 -0.12 0.00 -0.92 0.00 0.00 57.85 56.23 1h2i n ARG 180 Cb 0.45 -1.90 -0.12 0.00 0.45 0.00 0.00 32.46 31.34 1h2i n ARG 180 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1h2i s GLN 181 N -3.96 0.22 0.14 -0.14 0.74 -1.26 -5.12 119.66 110.28 1h2i s GLN 181 Ca 0.61 0.70 -0.31 0.00 0.05 0.00 0.00 55.36 56.42 1h2i s GLN 181 Cb -0.18 -0.03 -0.08 0.00 1.10 0.00 0.00 33.01 33.83 1h2i s GLN 181 CO 0.64 -0.22 1.33 -0.48 -0.55 0.00 0.00 175.29 176.01 1h2i s LEU 182 N 1.84 4.39 -0.29 3.68 2.34 -1.26 -4.92 118.68 124.45 1h2i s LEU 182 Ca -0.05 2.31 -0.28 0.00 0.06 0.00 0.00 54.13 56.18 1h2i s LEU 182 Cb -0.11 -3.59 -0.04 0.00 -0.56 0.00 0.00 46.19 41.89 1h2i s LEU 182 CO -0.10 -0.58 2.10 -2.16 -1.06 0.00 0.00 176.35 174.55 1h2i s PRO 183 N 0.63 3.07 0.20 1.48 0.04 -1.26 -4.89 135.00 134.27 1h2i s PRO 183 Ca 0.61 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 63.09 1h2i s PRO 183 Cb -0.36 -4.34 -0.17 0.00 0.04 0.00 0.00 34.50 29.67 1h2i s PRO 183 CO 0.33 -2.18 0.56 -0.11 0.04 0.00 0.00 177.00 175.64 1h2i n LEU 184 N 11.74 -1.08 -4.75 -3.56 0.00 -1.26 -4.87 117.00 113.22 1h2i n LEU 184 Ca 0.28 1.13 -0.41 0.00 0.00 0.00 0.00 56.01 57.02 1h2i n LEU 184 Cb 0.47 -0.96 -0.04 0.00 0.00 0.00 0.00 43.42 42.88 1h2i n LEU 184 CO 0.67 -2.89 0.79 -1.61 0.00 0.00 0.00 177.39 174.36 1h2i s GLU 185 N -0.98 4.62 -0.52 1.96 0.41 -1.26 -4.99 118.70 117.93 1h2i s GLU 185 Ca 0.65 1.76 -0.24 0.00 -0.41 0.00 0.00 54.97 56.73 1h2i s GLU 185 Cb -0.93 -3.23 0.04 0.00 -1.78 0.00 0.00 34.13 28.22 1h2i s GLU 185 CO 0.56 0.15 0.90 0.08 -0.49 0.00 0.00 175.26 176.47 1h2i s VAL 186 N -0.74 4.46 -0.93 2.63 1.01 -1.26 -4.99 120.40 120.59 1h2i s VAL 186 Ca 0.47 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.54 1h2i s VAL 186 Cb -0.31 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.64 1h2i s VAL 186 CO 0.38 -1.00 1.38 -0.62 0.00 0.00 0.00 175.10 175.24 1h2i s ASP 187 N 2.65 6.40 -0.07 3.32 3.68 -1.26 -4.85 116.67 126.53 1h2i s ASP 187 Ca 0.31 -1.17 0.02 0.00 2.13 0.00 0.00 52.55 53.84 1h2i s ASP 187 Cb -0.12 -2.56 0.17 0.00 -1.45 0.00 0.00 42.92 38.95 1h2i s ASP 187 CO 0.20 -1.59 0.94 0.18 0.13 0.00 0.00 175.17 175.04 1h2i n LEU 188 N 8.93 2.74 0.00 -1.34 4.77 -1.26 -4.57 117.00 126.27 1h2i n LEU 188 Ca 0.23 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1h2i n LEU 188 Cb 0.50 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1h2i n LEU 188 CO 0.67 0.45 0.11 0.41 -1.33 0.00 0.00 177.39 177.69 1h2i n THR 189 N 0.14 0.00 0.29 -5.08 -1.04 -1.26 -2.92 114.28 104.40 1h2i n THR 189 Ca 0.09 0.72 0.02 0.00 -2.04 0.00 0.00 64.05 62.83 1h2i n THR 189 Cb 0.58 -1.53 0.12 0.00 -1.82 0.00 0.00 70.33 67.67 1h2i n THR 189 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1h2i n LYS 190 N -0.30 0.14 -1.44 -2.82 5.02 -1.26 -4.88 118.16 112.62 1h2i n LYS 190 Ca 0.00 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.78 1h2i n LYS 190 Cb 0.00 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 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 -0.92 -2.90 -1.72 7.82 0.00 -1.15 -4.82 120.51 116.83 1h2i n ALA 191 Ca 0.03 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 1h2i n ALA 191 Cb 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.70 4.13 0.00 0.00 2.20 -1.26 -4.87 119.74 119.24 1h2i s LYS 192 Ca 0.72 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.94 1h2i s LYS 192 Cb -1.02 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 1h2i s LYS 192 CO 0.56 -0.81 0.18 0.54 -0.36 0.00 0.00 175.35 175.46 1h2i n ARG 193 N 5.07 3.31 -4.33 4.03 1.74 -1.26 -5.05 116.66 120.17 1h2i n ARG 193 Ca 0.17 -0.18 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 1h2i n ARG 193 Cb 0.37 -0.65 -0.12 0.00 -1.02 0.00 0.00 32.46 31.04 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 -0.52 1.24 -0.10 5.56 -0.21 -1.26 -5.04 119.66 119.32 1h2i s GLN 194 Ca 0.00 -1.26 -0.22 0.00 0.02 0.00 0.00 55.36 53.90 1h2i s GLN 194 Cb 0.00 -1.56 -0.19 0.00 1.00 0.00 0.00 33.01 32.27 1h2i s GLN 194 CO 0.00 0.36 0.71 -0.44 -2.12 0.00 0.00 175.29 173.79 1h2i h ASP 195 N 3.89 -0.04 -1.89 5.90 3.45 -2.05 -3.46 116.42 122.22 1h2i h ASP 195 Ca -0.47 -0.64 -0.62 0.00 0.43 0.00 0.00 57.03 55.72 1h2i h ASP 195 Cb 1.18 0.01 0.14 0.00 -0.56 0.00 0.00 39.33 40.11 1h2i h ASP 195 CO 0.41 0.73 -0.63 -0.11 -1.57 0.00 0.00 179.24 178.08 1h2i n LEU 196 N -4.73 -1.30 -3.05 1.55 -0.00 -1.26 -4.99 117.00 103.22 1h2i n LEU 196 Ca -0.08 0.91 -0.18 0.00 -0.00 0.00 0.00 56.01 56.66 1h2i n LEU 196 Cb 0.33 -1.00 -0.03 0.00 -0.00 0.00 0.00 43.42 42.72 1h2i n LEU 196 CO 0.26 -3.39 -0.12 -0.62 -0.00 0.00 0.00 177.39 173.52 1h2i n GLU 197 N 0.95 0.63 -0.66 1.96 -0.58 -1.26 -5.04 120.64 116.64 1h2i n GLU 197 Ca 0.12 -2.67 0.50 0.00 -0.42 0.00 0.00 57.16 54.70 1h2i n GLU 197 Cb 0.37 -1.38 0.79 0.00 -0.57 0.00 0.00 31.44 30.65 1h2i n GLU 197 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1h2i n PRO 198 N 1.85 -0.01 0.02 3.49 -0.02 -1.26 0.17 135.00 139.25 1h2i n PRO 198 Ca 0.19 1.13 -0.10 0.00 -2.02 0.00 0.00 63.50 62.70 1h2i n PRO 198 Cb 0.55 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 1h2i n PRO 198 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h2i h SER 199 N 0.00 0.08 0.11 2.55 4.64 -1.97 0.16 113.55 119.12 1h2i h SER 199 Ca 0.93 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 62.12 1h2i h SER 199 Cb 3.57 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 65.63 1h2i h SER 199 CO -0.13 1.10 -0.05 0.58 -0.87 0.00 0.00 176.83 177.46 1h2i h VAL 200 N 0.01 1.09 -0.01 0.95 2.07 -0.71 -0.85 116.25 118.80 1h2i h VAL 200 Ca -0.19 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1h2i h VAL 200 Cb 1.93 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1h2i h VAL 200 CO 0.11 0.26 0.02 -0.08 0.02 0.00 0.00 177.57 177.90 1h2i h GLU 201 N -0.72 0.00 0.18 1.57 4.57 -0.59 -1.20 114.58 118.39 1h2i h GLU 201 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1h2i h GLU 201 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1h2i h GLU 201 CO 0.02 0.00 -0.08 0.93 -1.18 0.00 0.00 179.01 178.70 1h2i h GLU 202 N 0.00 -0.23 -0.45 1.92 5.08 -0.63 -2.94 114.58 117.33 1h2i h GLU 202 Ca 0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1h2i h GLU 202 Cb 0.04 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1h2i h GLU 202 CO -0.00 -0.15 -0.24 0.00 -1.00 0.00 0.00 179.01 177.62 1h2i h ALA 203 N -1.71 0.06 0.00 3.43 0.00 -0.94 -0.85 119.26 119.26 1h2i h ALA 203 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h2i h ALA 203 Cb 0.18 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h2i h ALA 203 CO 0.04 -0.60 0.00 -2.13 0.00 0.00 0.00 179.25 176.56 1h2i n ARG 204 N -5.40 0.16 0.01 0.00 0.63 -0.47 -0.96 116.66 110.62 1h2i n ARG 204 Ca 0.03 0.56 -0.06 0.00 -0.92 0.00 0.00 57.85 57.46 1h2i n ARG 204 Cb 0.32 -1.93 -0.12 0.00 0.45 0.00 0.00 32.46 31.17 1h2i n ARG 204 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1h2i h TYR 205 N 0.00 0.00 0.00 -0.14 3.20 -0.96 -3.33 116.97 115.74 1h2i h TYR 205 Ca 0.00 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1h2i h TYR 205 Cb 0.13 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1h2i h TYR 205 CO 0.00 0.92 -0.96 -0.91 -1.64 0.00 0.00 178.16 175.57 1h2i h ASN 206 N 0.00 0.00 0.28 -2.11 2.35 -0.72 -3.29 115.58 112.08 1h2i h ASN 206 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1h2i h ASN 206 Cb 1.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.23 1h2i h ASN 206 CO 0.09 0.74 0.00 0.77 -1.65 0.00 0.00 177.43 177.38 1h2i h SER 207 N 0.00 0.00 -0.11 5.81 4.64 -1.21 0.24 113.55 122.91 1h2i h SER 207 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1h2i h SER 207 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1h2i h SER 207 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05