#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 -2.60 2.88 0.00 0.00 7.35 -1.26 -1.81 117.46 122.02 1h2i n PHE 26 Ca 0.06 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1h2i n PHE 26 Cb 0.21 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.43 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 2.15 1.48 0.00 7.13 0.00 -0.11 -4.86 105.19 110.99 1h2i n GLY 27 Ca 0.08 0.00 0.00 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 2.74 -2.26 1.61 6.02 -0.75 -4.00 117.38 118.74 1h2i n GLN 28 Ca 0.00 -1.49 -0.28 0.00 -0.01 0.00 0.00 57.00 55.22 1h2i n GLN 28 Cb 0.00 -0.99 0.02 0.00 1.02 0.00 0.00 30.24 30.29 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 -5.03 1.31 0.40 0.00 0.74 -1.26 -4.17 119.66 111.65 1h2i s GLN 30 Ca 0.53 -0.42 -0.26 0.00 0.05 0.00 0.00 55.36 55.26 1h2i s GLN 30 Cb -0.11 -1.17 -0.09 0.00 1.10 0.00 0.00 33.01 32.74 1h2i s GLN 30 CO 0.48 0.15 1.24 0.71 -0.55 0.00 0.00 175.29 177.33 1h2i s TYR 31 N 0.18 2.94 0.54 1.67 1.51 -1.26 -5.00 117.35 117.92 1h2i s TYR 31 Ca -0.04 1.48 -0.16 0.00 -1.01 0.00 0.00 57.07 57.34 1h2i s TYR 31 Cb -0.10 -3.55 -0.07 0.00 -0.11 0.00 0.00 41.96 38.13 1h2i s TYR 31 CO 0.01 -1.74 1.00 0.95 -1.11 0.00 0.00 175.55 174.66 1h2i s THR 32 N -1.31 4.48 0.28 -0.71 -4.23 -1.26 -4.83 115.64 108.05 1h2i s THR 32 Ca 0.56 1.14 0.01 0.00 -1.18 0.00 0.00 61.69 62.23 1h2i s THR 32 Cb -0.35 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.06 1h2i s THR 32 CO 0.45 -0.72 1.81 0.00 -0.54 0.00 0.00 174.62 175.62 1h2i h ALA 33 N 0.72 1.47 -0.02 3.99 0.00 -1.99 0.93 119.26 124.37 1h2i h ALA 33 Ca -0.46 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1h2i h ALA 33 Cb 1.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1h2i h ALA 33 CO 0.61 0.13 0.00 1.49 0.00 0.00 0.00 179.25 181.48 1h2i h GLU 34 N 0.89 0.03 -0.62 0.00 4.81 -1.99 -0.45 114.58 117.24 1h2i h GLU 34 Ca 0.50 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.65 1h2i h GLU 34 Cb 0.56 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1h2i h GLU 34 CO -0.30 0.30 0.13 1.49 -0.73 0.00 0.00 179.01 179.90 1h2i h GLU 35 N -0.24 1.02 -0.01 1.92 4.81 -1.81 -1.82 114.58 118.45 1h2i h GLU 35 Ca 0.01 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1h2i h GLU 35 Cb 0.28 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1h2i h GLU 35 CO 0.00 0.94 -0.22 -0.92 -0.73 0.00 0.00 179.01 178.08 1h2i h TYR 36 N 0.93 -0.58 -0.75 0.92 3.20 -0.71 -1.40 116.97 118.58 1h2i h TYR 36 Ca 0.19 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1h2i h TYR 36 Cb 0.39 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1h2i h TYR 36 CO 0.03 -0.31 0.48 0.37 -1.64 0.00 0.00 178.16 177.09 1h2i h GLN 37 N -0.35 0.93 -0.50 1.82 4.15 -0.92 0.60 115.11 120.84 1h2i h GLN 37 Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1h2i h GLN 37 Cb 0.43 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1h2i h GLN 37 CO -0.21 0.61 0.28 0.00 -1.93 0.00 0.00 178.83 177.59 1h2i h ALA 38 N 1.30 0.64 -0.34 3.38 0.00 -0.97 -2.58 119.26 120.69 1h2i h ALA 38 Ca 0.29 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1h2i h ALA 38 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1h2i h ALA 38 CO -0.09 0.16 -0.26 0.82 0.00 0.00 0.00 179.25 179.87 1h2i h ILE 39 N 0.67 1.29 -0.40 0.00 2.04 -0.85 -0.30 117.51 119.96 1h2i h ILE 39 Ca 0.18 -1.42 0.08 0.00 1.00 0.00 0.00 64.86 64.70 1h2i h ILE 39 Cb 0.04 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 1h2i h ILE 39 CO -0.03 0.46 -0.07 1.56 0.00 0.00 0.00 178.15 180.07 1h2i h GLN 40 N 0.56 0.02 0.22 2.37 1.08 -0.74 0.57 115.11 119.19 1h2i h GLN 40 Ca 0.06 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1h2i h GLN 40 Cb 0.83 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1h2i h GLN 40 CO 0.07 0.02 -0.10 0.87 -0.95 0.00 0.00 178.83 178.73 1h2i h LYS 41 N 0.03 -0.28 -0.99 1.46 1.57 -1.37 -3.07 116.57 113.91 1h2i h LYS 41 Ca 0.20 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.15 1h2i h LYS 41 Cb 0.29 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 1h2i h LYS 41 CO -0.39 -0.03 0.60 0.00 -0.57 0.00 0.00 179.45 179.06 1h2i h ALA 42 N 0.22 1.57 0.00 3.86 0.00 -0.65 -0.99 119.26 123.27 1h2i h ALA 42 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 42 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h2i h ALA 42 CO 0.05 0.06 -0.05 -0.07 0.00 0.00 0.00 179.25 179.24 1h2i h LEU 43 N 0.85 0.00 -1.14 0.00 3.38 -0.80 -2.73 115.31 114.87 1h2i h LEU 43 Ca 0.54 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.42 1h2i h LEU 43 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1h2i h LEU 43 CO -0.33 0.05 -0.42 0.03 0.09 0.00 0.00 178.44 177.86 1h2i h ARG 44 N 0.00 0.00 -6.66 1.13 3.08 -1.18 0.11 114.38 110.86 1h2i h ARG 44 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1h2i h ARG 44 Cb 0.19 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.35 1h2i h ARG 44 CO 0.01 0.42 0.39 1.04 -1.07 0.00 0.00 179.97 180.76 1h2i n GLN 45 N -3.99 1.89 -2.84 0.04 6.02 -1.03 -4.58 117.38 112.89 1h2i n GLN 45 Ca -0.02 0.66 -0.26 0.00 -0.01 0.00 0.00 57.00 57.37 1h2i n GLN 45 Cb 0.46 -2.18 -0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 -1.75 3.52 0.05 -1.09 0.52 -1.26 -1.15 118.95 117.79 1h2i s ARG 46 Ca 0.57 0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.80 1h2i s ARG 46 Cb -0.61 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1h2i s ARG 46 CO 0.61 -0.11 0.23 -0.48 0.02 0.00 0.00 175.30 175.58 1h2i s LEU 47 N -4.62 4.35 1.09 2.53 2.34 -1.26 -4.90 118.68 118.20 1h2i s LEU 47 Ca 0.45 0.37 -0.14 0.00 0.06 0.00 0.00 54.13 54.86 1h2i s LEU 47 Cb -0.10 -2.89 0.24 0.00 -0.56 0.00 0.00 46.19 42.87 1h2i s LEU 47 CO 0.42 0.19 1.08 -0.83 -1.06 0.00 0.00 176.35 176.15 1h2i s GLY 48 N -2.27 1.56 0.62 -3.48 0.00 -1.26 -4.91 107.32 97.57 1h2i s GLY 48 Ca 0.33 -0.50 0.33 0.00 0.00 0.00 0.00 44.72 44.88 1h2i s GLY 48 CO 0.24 0.21 2.18 -2.55 0.00 0.00 0.00 173.10 173.18 1h2i h PRO 49 N -2.24 0.00 0.00 2.90 0.11 -1.96 -1.98 132.00 128.82 1h2i h PRO 49 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1h2i h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h2i h PRO 49 CO 0.51 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.45 1h2i n GLU 50 N -3.53 0.05 -0.10 1.05 0.00 -1.26 -2.84 120.64 114.00 1h2i n GLU 50 Ca -0.01 0.28 -0.12 0.00 0.00 0.00 0.00 57.16 57.31 1h2i n GLU 50 Cb 0.21 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.03 1h2i n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1h2i n TYR 51 N -1.43 0.00 -2.76 -1.84 4.02 -0.75 -4.99 117.16 109.41 1h2i n TYR 51 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 1h2i n TYR 51 Cb 0.11 -0.88 -0.04 0.00 -0.02 0.00 0.00 39.34 38.51 1h2i n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1h2i s ILE 52 N -2.44 4.69 0.39 -0.72 -1.09 -1.13 -4.41 121.20 116.48 1h2i s ILE 52 Ca -0.20 2.00 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 1h2i s ILE 52 Cb 0.07 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1h2i s ILE 52 CO 0.62 0.26 0.09 -0.94 -1.23 0.00 0.00 174.94 173.74 1h2i s SER 53 N 0.41 2.74 0.12 3.58 1.04 -0.56 -4.98 113.70 116.06 1h2i s SER 53 Ca 0.48 -1.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.22 1h2i s SER 53 Cb -0.22 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1h2i s SER 53 CO 0.28 -0.81 0.32 -0.94 0.98 0.00 0.00 173.24 173.08 1h2i s SER 54 N -3.58 -0.08 0.20 7.02 1.04 -1.26 -1.69 113.70 115.35 1h2i s SER 54 Ca 0.27 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 1h2i s SER 54 Cb 0.05 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1h2i s SER 54 CO 0.14 -0.83 0.16 0.00 0.98 0.00 0.00 173.24 173.69 1h2i s ARG 55 N -3.85 1.20 -0.29 4.02 1.70 -0.73 -4.95 118.95 116.05 1h2i s ARG 55 Ca 0.06 -1.56 -0.17 0.00 -0.47 0.00 0.00 55.73 53.60 1h2i s ARG 55 Cb 0.03 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1h2i s ARG 55 CO -0.09 -0.40 0.45 -1.64 -1.08 0.00 0.00 175.30 172.53 1h2i s MET 56 N -4.13 3.92 0.77 3.89 -1.94 -1.26 -1.31 119.30 119.25 1h2i s MET 56 Ca 0.35 0.07 -0.11 0.00 -1.71 0.00 0.00 55.69 54.28 1h2i s MET 56 Cb 0.06 -3.70 0.05 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.10 -0.40 1.08 0.00 -0.01 0.00 0.00 175.02 175.80 1h2i s ALA 57 N 2.22 2.34 0.38 3.03 0.00 0.83 -4.88 121.76 125.68 1h2i s ALA 57 Ca 0.18 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1h2i s ALA 57 Cb -0.16 -3.14 0.81 0.00 0.00 0.00 0.00 23.12 20.63 1h2i s ALA 57 CO 0.10 -1.61 1.97 0.78 0.00 0.00 0.00 175.76 177.00 1h2i h GLY 58 N -1.01 0.84 -0.90 0.00 0.00 -1.98 -0.57 103.07 99.46 1h2i h GLY 58 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1h2i h GLY 58 CO 0.58 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.93 1h2i n GLY 59 N -1.46 0.76 3.48 4.60 0.00 -1.26 -4.74 105.19 106.56 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 0.18 -0.53 3.09 -0.02 0.00 -0.23 -4.98 105.19 102.71 1h2i n GLY 60 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.18 1.16 0.36 1.61 -2.07 -1.21 -4.89 119.66 108.44 1h2i s GLN 61 Ca 0.51 -0.48 -0.28 0.00 -1.82 0.00 0.00 55.36 53.29 1h2i s GLN 61 Cb -0.23 -1.11 -0.11 0.00 -1.09 0.00 0.00 33.01 30.47 1h2i s GLN 61 CO 0.64 0.27 1.52 1.17 -1.32 0.00 0.00 175.29 177.57 1h2i n LYS 62 N 2.84 2.71 -3.83 9.60 4.81 -1.26 -0.12 118.16 132.92 1h2i n LYS 62 Ca -0.15 0.95 -0.25 0.00 -0.87 0.00 0.00 58.31 58.00 1h2i n LYS 62 Cb 0.55 -2.70 -0.17 0.00 0.02 0.00 0.00 35.03 32.72 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 -0.89 0.66 0.24 3.15 1.01 -0.42 -4.84 120.40 119.30 1h2i s VAL 63 Ca 0.55 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.36 1h2i s VAL 63 Cb -0.47 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 1h2i s VAL 63 CO 0.61 0.29 0.55 0.00 0.00 0.00 0.00 175.10 176.55 1h2i s TYR 65 N -1.86 -0.18 -0.06 0.00 -0.85 -0.68 -4.99 117.35 108.74 1h2i s TYR 65 Ca 0.47 -0.07 0.03 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 0.23 -0.71 -0.12 0.42 -1.52 0.00 0.00 175.55 173.85 1h2i s ILE 66 N -3.17 3.28 0.23 -3.49 1.01 -1.26 -1.50 121.20 116.29 1h2i s ILE 66 Ca 0.10 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 1h2i s ILE 66 Cb -0.01 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1h2i s ILE 66 CO -0.01 0.59 1.02 -1.61 0.00 0.00 0.00 174.94 174.94 1h2i s GLU 67 N -0.76 4.73 0.30 2.79 2.02 -1.26 -4.92 118.70 121.60 1h2i s GLU 67 Ca 0.12 1.63 0.03 0.00 0.02 0.00 0.00 54.97 56.77 1h2i s GLU 67 Cb -0.11 -3.26 0.77 0.00 0.10 0.00 0.00 34.13 31.63 1h2i s GLU 67 CO 0.01 0.31 1.62 0.78 0.02 0.00 0.00 175.26 178.00 1h2i h GLY 68 N 4.33 1.40 2.00 -1.39 0.00 -1.98 0.14 103.07 107.57 1h2i h GLY 68 Ca -0.45 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1h2i h GLY 68 CO 0.69 -0.43 -0.19 1.12 0.00 0.00 0.00 176.54 177.73 1h2i h HIS 69 N 0.15 0.00 -0.15 5.60 2.07 -1.99 0.13 115.15 120.95 1h2i h HIS 69 Ca 0.58 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.90 1h2i h HIS 69 Cb 1.22 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.21 1h2i h HIS 69 CO -0.30 0.19 -0.69 0.00 -3.07 0.00 0.00 177.93 174.06 1h2i h ARG 70 N 0.00 0.74 -0.50 5.12 2.47 -1.11 -2.56 114.38 118.55 1h2i h ARG 70 Ca -0.00 -0.59 -0.01 0.00 -1.26 0.00 0.00 59.98 58.12 1h2i h ARG 70 Cb 0.37 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 1h2i h ARG 70 CO 0.02 1.20 0.28 0.28 0.56 0.00 0.00 179.97 182.31 1h2i h VAL 71 N 0.45 1.17 -0.87 2.04 2.07 -0.96 0.24 116.25 120.39 1h2i h VAL 71 Ca -0.04 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1h2i h VAL 71 Cb 1.32 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1h2i h VAL 71 CO 0.14 0.18 0.56 0.40 0.02 0.00 0.00 177.57 178.87 1h2i h ILE 72 N 0.66 1.13 -0.08 4.57 2.04 -0.96 0.25 117.51 125.11 1h2i h ILE 72 Ca 0.18 -0.37 -0.21 0.00 1.00 0.00 0.00 64.86 65.46 1h2i h ILE 72 Cb 0.04 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1h2i h ILE 72 CO -0.03 0.20 -0.80 0.78 0.00 0.00 0.00 178.15 178.30 1h2i h ASN 73 N 1.07 0.65 -0.25 1.72 2.35 -1.00 -0.73 115.58 119.39 1h2i h ASN 73 Ca 0.35 -0.45 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1h2i h ASN 73 Cb 0.03 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1h2i h ASN 73 CO -0.13 1.22 0.01 -0.07 -1.65 0.00 0.00 177.43 176.81 1h2i h LEU 74 N 0.36 -0.08 -0.20 1.61 3.38 0.08 -0.35 115.31 120.10 1h2i h LEU 74 Ca -0.05 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1h2i h LEU 74 Cb 1.40 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1h2i h LEU 74 CO 0.15 -0.01 0.07 0.00 0.09 0.00 0.00 178.44 178.73 1h2i h ALA 75 N 1.21 0.22 -0.90 1.53 0.00 -0.76 0.20 119.26 120.77 1h2i h ALA 75 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1h2i h ALA 75 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1h2i h ALA 75 CO -0.19 -0.36 0.58 -0.91 0.00 0.00 0.00 179.25 178.37 1h2i h ASN 76 N 0.16 1.04 0.48 0.00 2.35 -0.80 -0.07 115.58 118.73 1h2i h ASN 76 Ca 0.09 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.59 1h2i h ASN 76 Cb 0.06 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1h2i h ASN 76 CO -0.10 0.76 -0.94 -0.33 -1.65 0.00 0.00 177.43 175.17 1h2i h GLU 77 N 1.22 0.30 -0.12 0.81 4.39 -0.70 0.32 114.58 120.80 1h2i h GLU 77 Ca 0.33 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1h2i h GLU 77 Cb -0.13 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1h2i h GLU 77 CO -0.07 1.05 -0.06 1.98 -1.16 0.00 0.00 179.01 180.75 1h2i h MET 78 N 0.16 0.26 0.00 2.33 4.05 -0.19 -3.38 114.93 118.16 1h2i h MET 78 Ca -0.07 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1h2i h MET 78 Cb 1.59 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.38 1h2i h MET 78 CO 0.15 0.60 -0.82 1.19 0.23 0.00 0.00 176.91 178.27 1h2i n PHE 79 N -4.68 0.00 0.00 1.39 3.72 -0.08 -4.98 117.46 112.83 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 0.29 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.45 1.94 0.32 1.37 0.00 0.11 -3.44 105.19 106.95 1h2i n GLY 80 Ca 0.01 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.49 1h2i n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1h2i h TYR 81 N 0.00 0.00 -0.32 1.61 -0.00 -1.89 -0.79 116.97 115.58 1h2i h TYR 81 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1h2i h TYR 81 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1h2i h TYR 81 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1h2i n ASN 82 N -3.69 4.16 -0.07 0.10 2.04 -1.26 -4.54 115.26 112.00 1h2i n ASN 82 Ca -0.01 -3.03 0.06 0.00 -0.44 0.00 0.00 54.58 51.16 1h2i n ASN 82 Cb 0.19 -0.57 -0.06 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 -0.35 -0.18 3.09 4.83 0.00 -0.30 -4.73 105.19 107.55 1h2i n GLY 83 Ca 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.08 0.37 0.20 1.61 1.48 -1.25 -1.24 118.94 118.04 1h2i s TRP 84 Ca 0.06 -0.81 -0.11 0.00 -1.06 0.00 0.00 56.10 54.18 1h2i s TRP 84 Cb 0.10 -0.27 -0.00 0.00 -1.16 0.00 0.00 33.47 32.13 1h2i s TRP 84 CO 0.48 -0.36 0.38 0.00 -4.06 0.00 0.00 176.95 173.39 1h2i s ALA 85 N -3.19 -0.12 -0.05 2.67 0.00 0.72 -4.96 121.76 116.82 1h2i s ALA 85 Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 1h2i s ALA 85 Cb 0.03 0.98 0.06 0.00 0.00 0.00 0.00 23.12 24.18 1h2i s ALA 85 CO -0.07 -0.74 0.57 -3.38 0.00 0.00 0.00 175.76 172.13 1h2i s HIS 86 N -3.99 -0.52 0.05 0.00 -3.43 -1.26 -0.41 115.29 105.73 1h2i s HIS 86 Ca 0.20 0.90 -0.01 0.00 -0.80 0.00 0.00 55.06 55.36 1h2i s HIS 86 Cb 0.01 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1h2i s HIS 86 CO 0.04 -0.53 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.68 1h2i s SER 87 N -1.13 0.54 -0.49 7.38 1.04 -0.41 -4.98 113.70 115.65 1h2i s SER 87 Ca -0.11 -0.99 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 1h2i s SER 87 Cb -0.02 0.19 0.09 0.00 0.10 0.00 0.00 66.02 66.38 1h2i s SER 87 CO 0.08 -0.58 0.43 -0.63 0.98 0.00 0.00 173.24 173.52 1h2i s ILE 88 N -3.83 5.22 0.30 -1.02 1.01 -1.26 -1.41 121.20 120.20 1h2i s ILE 88 Ca 0.07 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1h2i s ILE 88 Cb 0.07 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.44 1h2i s ILE 88 CO -0.09 -0.66 1.76 0.71 0.00 0.00 0.00 174.94 176.65 1h2i h THR 89 N 5.79 1.25 -1.56 2.92 1.35 -1.33 -3.46 112.91 117.87 1h2i h THR 89 Ca -0.29 -1.18 0.08 0.00 -0.55 0.00 0.00 66.41 64.47 1h2i h THR 89 Cb 1.11 1.31 -0.23 0.00 -1.73 0.00 0.00 68.15 68.60 1h2i h THR 89 CO 0.92 0.38 0.54 -1.58 -0.25 0.00 0.00 175.52 175.52 1h2i s GLN 90 N -4.55 0.58 -0.07 4.72 0.74 -1.20 -5.00 119.66 114.88 1h2i s GLN 90 Ca -0.07 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.54 1h2i s GLN 90 Cb 0.14 0.28 0.02 0.00 1.10 0.00 0.00 33.01 34.55 1h2i s GLN 90 CO 0.78 -0.17 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.15 1h2i s GLN 91 N -0.96 1.17 -0.07 1.67 0.74 -1.26 -0.46 119.66 120.49 1h2i s GLN 91 Ca -0.01 -0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1h2i s GLN 91 Cb -0.01 -1.17 0.01 0.00 1.10 0.00 0.00 33.01 32.94 1h2i s GLN 91 CO 0.01 -0.13 -0.15 1.21 -0.55 0.00 0.00 175.29 175.68 1h2i s ASN 92 N 1.19 2.07 -0.40 6.67 3.84 0.02 -5.00 114.94 123.34 1h2i s ASN 92 Ca -0.06 -0.36 -0.26 0.00 0.21 0.00 0.00 52.86 52.40 1h2i s ASN 92 Cb -0.14 -0.94 0.02 0.00 -0.55 0.00 0.00 41.25 39.64 1h2i s ASN 92 CO -0.02 0.07 0.94 -0.69 -2.79 0.00 0.00 177.10 174.61 1h2i s VAL 93 N 0.56 4.53 0.18 -5.21 1.01 -1.26 -1.29 120.40 118.92 1h2i s VAL 93 Ca -0.15 1.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 1h2i s VAL 93 Cb -0.16 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1h2i s VAL 93 CO 0.05 -0.65 1.51 0.44 0.00 0.00 0.00 175.10 176.44 1h2i h ASP 94 N 8.71 0.73 -4.08 3.32 3.45 -1.04 -3.48 116.42 124.03 1h2i h ASP 94 Ca -0.23 -0.36 0.18 0.00 0.43 0.00 0.00 57.03 57.04 1h2i h ASP 94 Cb 1.08 -0.21 -0.21 0.00 -0.56 0.00 0.00 39.33 39.43 1h2i h ASP 94 CO 1.00 1.09 0.71 0.72 -1.57 0.00 0.00 179.24 181.19 1h2i s PHE 95 N -4.15 -0.22 -0.31 4.55 -0.12 -1.19 -4.99 117.98 111.57 1h2i s PHE 95 Ca -0.08 0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 57.02 1h2i s PHE 95 Cb 0.11 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 43.11 1h2i s PHE 95 CO 0.85 -0.27 0.13 0.08 -0.05 0.00 0.00 175.22 175.96 1h2i s VAL 96 N -1.94 0.28 -0.06 -2.49 1.01 -1.26 -2.64 120.40 113.30 1h2i s VAL 96 Ca 0.06 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1h2i s VAL 96 Cb -0.01 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1h2i s VAL 96 CO -0.04 -0.74 -0.00 -1.81 0.00 0.00 0.00 175.10 172.50 1h2i s ASP 97 N 1.81 5.17 -0.33 3.32 1.01 0.33 -4.94 116.67 123.04 1h2i s ASP 97 Ca 0.10 0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.44 1h2i s ASP 97 Cb -0.17 -1.41 0.07 0.00 1.01 0.00 0.00 42.92 42.41 1h2i s ASP 97 CO -0.29 0.34 0.06 -0.22 0.21 0.00 0.00 175.17 175.28 1h2i s LEU 98 N -1.11 4.36 0.00 1.23 2.96 -1.26 0.47 118.68 125.33 1h2i s LEU 98 Ca 0.15 -1.57 0.13 0.00 -0.22 0.00 0.00 54.13 52.62 1h2i s LEU 98 Cb -0.11 -1.73 0.17 0.00 0.50 0.00 0.00 46.19 45.01 1h2i s LEU 98 CO 0.05 -0.35 1.01 0.59 -1.32 0.00 0.00 176.35 176.33 1h2i n ASN 99 N 4.58 2.35 0.00 3.68 5.03 -0.81 -4.96 115.26 125.12 1h2i n ASN 99 Ca -0.08 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.70 1h2i n ASN 99 Cb 0.43 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1h2i n ASN 99 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1h2i n ASN 100 N 0.73 0.00 -0.11 6.41 3.02 -1.26 -4.91 115.26 119.14 1h2i n ASN 100 Ca 0.09 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.65 1h2i n ASN 100 Cb 0.36 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.56 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 2.80 3.59 7.41 0.00 -1.26 -5.02 105.19 112.72 1h2i n GLY 101 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.97 2.13 -0.07 1.61 1.02 -1.26 -4.48 119.74 117.72 1h2i s LYS 102 Ca 0.04 -1.25 -0.02 0.00 0.02 0.00 0.00 55.97 54.76 1h2i s LYS 102 Cb 0.02 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1h2i s LYS 102 CO 0.03 0.44 0.03 -0.06 -0.92 0.00 0.00 175.35 174.86 1h2i s PHE 103 N -1.74 3.22 -0.20 3.18 0.40 0.05 -1.93 117.98 120.96 1h2i s PHE 103 Ca 0.26 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1h2i s PHE 103 Cb -0.09 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.69 1h2i s PHE 103 CO 0.16 0.51 -0.16 0.71 0.70 0.00 0.00 175.22 177.14 1h2i s TYR 104 N -0.96 2.81 -0.06 0.36 1.51 0.18 -1.54 117.35 119.64 1h2i s TYR 104 Ca 0.15 -1.79 0.03 0.00 -1.01 0.00 0.00 57.07 54.46 1h2i s TYR 104 Cb -0.11 -1.86 0.01 0.00 -0.11 0.00 0.00 41.96 39.88 1h2i s TYR 104 CO 0.05 -0.81 -0.14 0.08 -1.11 0.00 0.00 175.55 173.62 1h2i s VAL 105 N 1.27 1.27 -0.11 0.71 1.01 0.40 -0.51 120.40 124.43 1h2i s VAL 105 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1h2i s VAL 105 Cb -0.15 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1h2i s VAL 105 CO -0.10 0.38 -0.18 -0.83 0.00 0.00 0.00 175.10 174.37 1h2i s GLY 106 N 0.39 1.13 0.00 4.51 0.00 -1.08 -1.82 107.32 110.45 1h2i s GLY 106 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1h2i s GLY 106 CO 0.03 0.03 -0.06 0.14 0.00 0.00 0.00 173.10 173.24 1h2i s VAL 107 N 0.75 0.49 0.11 1.40 1.01 -0.12 -0.32 120.40 123.72 1h2i s VAL 107 Ca -0.11 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1h2i s VAL 107 Cb -0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1h2i s VAL 107 CO 0.02 0.05 -0.26 0.00 0.00 0.00 0.00 175.10 174.91 1h2i s ALA 109 N -1.03 0.33 -0.24 0.00 0.00 -0.43 -0.80 121.76 119.60 1h2i s ALA 109 Ca 0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1h2i s ALA 109 Cb -0.10 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1h2i s ALA 109 CO 0.05 -0.00 -0.04 -0.06 0.00 0.00 0.00 175.76 175.71 1h2i s PHE 110 N -0.71 3.01 -0.09 0.00 0.40 0.39 0.10 117.98 121.08 1h2i s PHE 110 Ca -0.05 -1.17 0.03 0.00 -0.60 0.00 0.00 56.93 55.14 1h2i s PHE 110 Cb -0.05 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.36 1h2i s PHE 110 CO -0.00 -0.62 -0.19 0.08 0.70 0.00 0.00 175.22 175.19 1h2i s VAL 111 N 1.43 2.55 -0.21 -0.44 1.01 -0.19 -0.80 120.40 123.75 1h2i s VAL 111 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1h2i s VAL 111 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1h2i s VAL 111 CO -0.03 0.55 -0.10 -0.60 0.00 0.00 0.00 175.10 174.93 1h2i s ARG 112 N 0.07 3.18 -0.06 2.72 3.52 -0.50 -1.72 118.95 126.16 1h2i s ARG 112 Ca -0.08 -0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1h2i s ARG 112 Cb -0.15 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 1h2i s ARG 112 CO 0.05 -0.23 -0.02 0.54 -0.81 0.00 0.00 175.30 174.84 1h2i s VAL 113 N 1.40 4.12 0.06 7.11 0.11 -0.10 -1.28 120.40 131.81 1h2i s VAL 113 Ca 0.05 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1h2i s VAL 113 Cb -0.14 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 1h2i s VAL 113 CO -0.07 0.55 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.56 1h2i s GLN 114 N -1.03 0.71 0.38 1.54 0.74 0.45 -1.43 119.66 121.02 1h2i s GLN 114 Ca 0.15 -0.90 0.05 0.00 0.05 0.00 0.00 55.36 54.71 1h2i s GLN 114 Cb -0.11 -0.58 -0.00 0.00 1.10 0.00 0.00 33.01 33.41 1h2i s GLN 114 CO 0.04 0.12 0.54 -0.51 -0.55 0.00 0.00 175.29 174.93 1h2i s LEU 115 N -1.76 3.83 0.30 3.68 1.02 -0.30 -0.20 118.68 125.27 1h2i s LEU 115 Ca -0.04 -0.09 0.21 0.00 0.02 0.00 0.00 54.13 54.22 1h2i s LEU 115 Cb -0.09 -2.84 1.12 0.00 0.02 0.00 0.00 46.19 44.39 1h2i s LEU 115 CO 0.01 -0.56 1.64 2.29 0.02 0.00 0.00 176.35 179.75 1h2i n LYS 116 N -1.80 0.14 -0.14 1.70 2.85 -0.37 -1.11 118.16 119.44 1h2i n LYS 116 Ca 0.01 0.62 -0.11 0.00 -1.05 0.00 0.00 58.31 57.78 1h2i n LYS 116 Cb 0.58 -1.94 -0.01 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.85 0.00 -5.58 -0.00 -1.84 0.06 116.42 109.90 1h2i h ASP 117 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 1h2i h ASP 117 Cb 0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.13 1h2i h ASP 117 CO 0.00 1.04 0.00 0.61 -0.00 0.00 0.00 179.24 180.89 1h2i n GLY 118 N -0.13 1.63 3.76 -0.78 0.00 -0.26 -4.49 105.19 104.91 1h2i n GLY 118 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.88 4.64 0.13 1.61 1.04 -1.26 -4.76 113.70 113.22 1h2i s SER 119 Ca 0.00 1.97 -0.25 0.00 0.48 0.00 0.00 55.95 58.15 1h2i s SER 119 Cb 0.00 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.65 1h2i s SER 119 CO 0.00 -1.95 0.76 -0.72 0.98 0.00 0.00 173.24 172.31 1h2i s TYR 120 N -2.56 -0.37 -0.04 5.02 -0.85 -1.26 -1.14 117.35 116.14 1h2i s TYR 120 Ca 0.65 0.13 -0.09 0.00 -0.52 0.00 0.00 57.07 57.24 1h2i s TYR 120 Cb -0.20 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.74 1h2i s TYR 120 CO 0.49 -0.82 0.22 -1.01 -1.52 0.00 0.00 175.55 172.91 1h2i s HIS 121 N -3.52 -0.14 0.02 -3.49 3.76 -0.51 -5.00 115.29 106.41 1h2i s HIS 121 Ca 0.05 0.28 0.03 0.00 -0.15 0.00 0.00 55.06 55.28 1h2i s HIS 121 Cb -0.02 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.70 1h2i s HIS 121 CO -0.06 -0.24 -0.09 -2.00 -0.85 0.00 0.00 174.74 171.49 1h2i s GLU 122 N -0.72 0.66 0.26 1.40 2.12 -1.26 -0.93 118.70 120.23 1h2i s GLU 122 Ca -0.08 -0.54 -0.10 0.00 0.36 0.00 0.00 54.97 54.62 1h2i s GLU 122 Cb -0.05 -0.59 -0.01 0.00 0.26 0.00 0.00 34.13 33.75 1h2i s GLU 122 CO 0.02 0.15 0.45 0.34 -0.54 0.00 0.00 175.26 175.67 1h2i s ASP 123 N -0.83 0.12 -0.01 -1.70 -1.08 -0.70 -4.89 116.67 107.58 1h2i s ASP 123 Ca -0.01 -1.09 -0.03 0.00 -0.52 0.00 0.00 52.55 50.90 1h2i s ASP 123 Cb -0.06 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1h2i s ASP 123 CO 0.00 -1.15 0.19 -0.69 0.52 0.00 0.00 175.17 174.04 1h2i s VAL 124 N -3.80 5.42 0.17 1.11 1.01 -1.26 -1.02 120.40 122.02 1h2i s VAL 124 Ca 0.25 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.21 1h2i s VAL 124 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1h2i s VAL 124 CO 0.11 0.33 -0.20 -0.83 0.00 0.00 0.00 175.10 174.52 1h2i s GLY 125 N -1.90 1.45 0.09 4.51 0.00 0.11 -4.51 107.32 107.08 1h2i s GLY 125 Ca 0.27 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.56 1h2i s GLY 125 CO 0.18 -1.55 -0.19 -0.47 0.00 0.00 0.00 173.10 171.07 1h2i s TYR 126 N -1.93 1.67 -0.04 1.90 5.04 -1.26 -1.31 117.35 121.42 1h2i s TYR 126 Ca 0.16 -0.42 0.03 0.00 -2.44 0.00 0.00 57.07 54.40 1h2i s TYR 126 Cb -0.06 -0.92 0.01 0.00 0.35 0.00 0.00 41.96 41.33 1h2i s TYR 126 CO 0.07 0.17 -0.12 0.20 -1.34 0.00 0.00 175.55 174.53 1h2i s GLY 127 N -1.84 0.71 0.04 8.97 0.00 0.26 -3.58 107.32 111.88 1h2i s GLY 127 Ca 0.05 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.39 1h2i s GLY 127 CO 0.04 -0.06 -0.15 0.14 0.00 0.00 0.00 173.10 173.08 1h2i s VAL 128 N 0.35 1.15 -0.20 1.40 1.01 -1.26 -0.94 120.40 121.91 1h2i s VAL 128 Ca -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1h2i s VAL 128 Cb -0.12 -1.04 0.10 0.00 0.00 0.00 0.00 36.38 35.31 1h2i s VAL 128 CO 0.02 0.01 0.26 -0.55 0.00 0.00 0.00 175.10 174.84 1h2i s SER 129 N -1.17 1.00 -0.09 3.32 0.15 -0.76 -4.49 113.70 111.67 1h2i s SER 129 Ca 0.02 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1h2i s SER 129 Cb -0.08 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 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 2.38 2.12 0.00 5.44 2.02 -1.26 -0.46 118.70 128.95 1h2i s GLU 130 Ca 0.07 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1h2i s GLU 130 Cb -0.15 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1h2i s GLU 130 CO -0.12 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1h2i n GLY 131 N 3.92 3.17 3.71 -1.39 0.00 -0.59 -5.01 105.19 108.99 1h2i n GLY 131 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 2.61 0.00 0.99 1.43 -1.26 -4.57 118.68 117.89 1h2i s LEU 132 Ca 0.00 1.82 0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1h2i s LEU 132 Cb 0.00 -4.30 -0.16 0.00 0.03 0.00 0.00 46.19 41.77 1h2i s LEU 132 CO 0.00 -2.66 0.79 0.29 0.23 0.00 0.00 176.35 175.00 1h2i n LYS 133 N -3.92 1.21 -3.29 1.70 5.02 -1.26 -0.77 118.16 116.84 1h2i n LYS 133 Ca 0.09 -0.17 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 1h2i n LYS 133 Cb 0.53 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.57 6.44 0.02 4.39 0.15 -1.26 -4.84 113.70 116.03 1h2i s SER 134 Ca 0.08 0.52 -0.25 0.00 0.70 0.00 0.00 55.95 57.00 1h2i s SER 134 Cb 0.14 -2.26 -0.17 0.00 -1.71 0.00 0.00 66.02 62.01 1h2i s SER 134 CO 0.68 -0.21 1.40 0.50 1.20 0.00 0.00 173.24 176.81 1h2i h LYS 135 N 7.78 -0.19 -0.29 5.44 3.64 -1.98 -1.65 116.57 129.32 1h2i h LYS 135 Ca -0.32 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1h2i h LYS 135 Cb 1.15 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1h2i h LYS 135 CO 0.71 0.10 -0.12 0.00 -2.27 0.00 0.00 179.45 177.87 1h2i h ALA 136 N 0.32 0.13 -0.33 5.00 0.00 -1.99 0.76 119.26 123.13 1h2i h ALA 136 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 136 Cb 0.38 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1h2i h ALA 136 CO 0.03 -0.51 0.03 -0.07 0.00 0.00 0.00 179.25 178.73 1h2i h LEU 137 N -0.07 0.47 0.02 0.00 -0.00 -1.97 -0.28 115.31 113.48 1h2i h LEU 137 Ca 0.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1h2i h LEU 137 Cb 0.29 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1h2i h LEU 137 CO -0.34 0.52 -0.01 0.28 -0.00 0.00 0.00 178.44 178.89 1h2i h SER 138 N 0.49 -0.02 -0.16 -0.43 0.02 -0.35 -2.00 113.55 111.10 1h2i h SER 138 Ca 0.11 -0.42 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1h2i h SER 138 Cb 0.28 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1h2i h SER 138 CO 0.01 0.41 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.01 1h2i h LEU 139 N -0.46 -0.11 -0.62 5.07 -0.00 -0.73 -1.79 115.31 116.67 1h2i h LEU 139 Ca -0.00 0.04 0.09 0.00 -0.00 0.00 0.00 57.88 58.01 1h2i h LEU 139 Cb 0.44 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.11 1h2i h LEU 139 CO 0.00 -0.03 0.26 -0.08 -0.00 0.00 0.00 178.44 178.59 1h2i h GLU 140 N 0.03 0.44 -0.09 1.13 4.81 -1.05 -0.32 114.58 119.54 1h2i h GLU 140 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1h2i h GLU 140 Cb 0.11 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1h2i h GLU 140 CO -0.15 0.29 0.03 -0.22 -0.73 0.00 0.00 179.01 178.24 1h2i h LYS 141 N 0.46 0.13 -0.62 1.92 3.64 -1.04 -2.26 116.57 118.80 1h2i h LYS 141 Ca 0.31 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1h2i h LYS 141 Cb 0.35 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1h2i h LYS 141 CO -0.28 0.26 0.27 0.00 -2.27 0.00 0.00 179.45 177.42 1h2i h ALA 142 N 0.87 0.80 -0.19 5.00 0.00 -1.00 -0.73 119.26 124.01 1h2i h ALA 142 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1h2i h ALA 142 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h2i h ALA 142 CO -0.00 0.40 -0.00 0.00 0.00 0.00 0.00 179.25 179.65 1h2i h ARG 143 N 0.86 0.33 -0.61 0.00 3.08 -1.06 -1.66 114.38 115.33 1h2i h ARG 143 Ca 0.21 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1h2i h ARG 143 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1h2i h ARG 143 CO -0.02 0.54 0.03 0.87 -1.07 0.00 0.00 179.97 180.32 1h2i h LYS 144 N 0.09 1.04 -0.33 0.04 1.57 -1.33 -2.82 116.57 114.83 1h2i h LYS 144 Ca 0.05 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 144 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1h2i h LYS 144 CO 0.01 1.00 -0.39 0.93 -0.57 0.00 0.00 179.45 180.43 1h2i h GLU 145 N 0.96 0.78 -0.42 3.15 5.08 -1.10 -2.45 114.58 120.58 1h2i h GLU 145 Ca 0.18 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1h2i h GLU 145 Cb 0.51 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1h2i h GLU 145 CO 0.02 1.03 0.08 0.00 -1.00 0.00 0.00 179.01 179.15 1h2i h ALA 146 N 0.92 0.46 0.28 3.43 0.00 -1.20 0.37 119.26 123.53 1h2i h ALA 146 Ca 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h2i h ALA 146 Cb 0.94 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h2i h ALA 146 CO 0.09 -0.32 -0.15 0.28 0.00 0.00 0.00 179.25 179.14 1h2i h VAL 147 N 0.21 0.68 -0.61 0.00 2.07 -1.35 0.58 116.25 117.83 1h2i h VAL 147 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1h2i h VAL 147 Cb 0.25 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1h2i h VAL 147 CO -0.27 0.00 0.34 0.74 0.02 0.00 0.00 177.57 178.40 1h2i h THR 148 N -0.41 1.19 -0.93 2.57 2.02 -1.12 0.10 112.91 116.34 1h2i h THR 148 Ca -0.03 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1h2i h THR 148 Cb 0.33 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1h2i h THR 148 CO 0.05 0.21 0.61 -0.78 0.37 0.00 0.00 175.52 175.98 1h2i h ASP 149 N 0.83 1.06 -0.24 4.18 -0.00 -0.08 -0.19 116.42 121.98 1h2i h ASP 149 Ca 0.22 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.03 57.14 1h2i h ASP 149 Cb 0.03 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.09 1h2i h ASP 149 CO -0.04 0.77 -0.14 1.23 -0.00 0.00 0.00 179.24 181.06 1h2i h GLY 150 N 1.25 0.57 0.75 -0.78 0.00 -0.15 -1.34 103.07 103.37 1h2i h GLY 150 Ca 0.34 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1h2i h GLY 150 CO -0.08 0.48 0.40 -2.00 0.00 0.00 0.00 176.54 175.35 1h2i h LEU 151 N 0.23 0.62 -0.21 3.11 5.85 -0.22 -0.44 115.31 124.26 1h2i h LEU 151 Ca 0.05 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1h2i h LEU 151 Cb 0.66 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1h2i h LEU 151 CO 0.04 0.41 0.08 0.11 -0.34 0.00 0.00 178.44 178.74 1h2i h LYS 152 N 0.75 0.31 -0.84 1.25 1.57 -0.90 -1.36 116.57 117.35 1h2i h LYS 152 Ca 0.30 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1h2i h LYS 152 Cb 0.13 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1h2i h LYS 152 CO -0.16 0.38 0.45 0.00 -0.57 0.00 0.00 179.45 179.55 1h2i h ARG 153 N 0.18 1.18 0.00 3.15 3.08 -0.86 -1.59 114.38 119.53 1h2i h ARG 153 Ca 0.07 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1h2i h ARG 153 Cb 0.18 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1h2i h ARG 153 CO -0.01 0.87 -0.00 0.00 -1.07 0.00 0.00 179.97 179.77 1h2i h ALA 154 N 1.31 -0.01 -0.25 0.04 0.00 -0.86 -2.76 119.26 116.73 1h2i h ALA 154 Ca 0.30 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1h2i h ALA 154 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1h2i h ALA 154 CO -0.05 -0.46 0.17 -0.07 0.00 0.00 0.00 179.25 178.85 1h2i h LEU 155 N -0.09 0.20 -1.44 0.00 -0.00 -0.92 -2.25 115.31 110.81 1h2i h LEU 155 Ca -0.00 -0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.08 1h2i h LEU 155 Cb 0.09 -0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 40.63 1h2i h LEU 155 CO 0.00 0.14 0.61 0.03 -0.00 0.00 0.00 178.44 179.22 1h2i h ARG 156 N 0.23 0.44 -0.20 1.13 3.08 -0.98 -1.61 114.38 116.47 1h2i h ARG 156 Ca 0.11 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1h2i h ARG 156 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1h2i h ARG 156 CO -0.02 0.29 0.27 0.77 -1.07 0.00 0.00 179.97 180.21 1h2i h SER 157 N 0.45 0.00 1.49 7.04 0.02 -1.50 -1.37 113.55 119.68 1h2i h SER 157 Ca 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1h2i h SER 157 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1h2i h SER 157 CO -0.21 0.00 -0.03 -0.26 -1.14 0.00 0.00 176.83 175.19 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.49 -3.49 116.94 114.41 1h2i h PHE 158 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1h2i h PHE 158 Cb 0.63 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1h2i h PHE 158 CO 0.00 0.03 0.00 0.41 -1.61 0.00 0.00 178.31 177.14 1h2i n GLY 159 N 0.58 -1.15 0.10 -1.45 0.00 -0.52 -4.94 105.19 97.82 1h2i n GLY 159 Ca 0.02 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 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 0.21 -0.11 1.61 2.35 -1.58 -1.10 115.58 116.97 1h2i h ASN 160 Ca 0.00 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1h2i h ASN 160 Cb 0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h2i h ASN 160 CO 0.00 0.16 0.39 0.00 -1.65 0.00 0.00 177.43 176.33 1h2i h ALA 161 N 1.06 1.57 -0.50 -0.83 0.00 0.74 0.35 119.26 121.65 1h2i h ALA 161 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h2i h ALA 161 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h2i h ALA 161 CO -0.01 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.07 1h2i n LEU 162 N -3.09 3.62 0.00 0.00 7.99 -0.91 -4.93 117.00 119.69 1h2i n LEU 162 Ca 0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 56.01 53.84 1h2i n LEU 162 Cb 0.47 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1h2i n LEU 162 CO 0.17 0.81 0.00 0.61 -1.51 0.00 0.00 177.39 177.47 1h2i n GLY 163 N 0.84 1.26 0.30 -0.72 0.00 0.12 -4.00 105.19 103.00 1h2i n GLY 163 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.29 1.61 -0.00 -1.16 -2.61 115.58 113.13 1h2i h ASN 164 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.17 1h2i h ASN 164 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1h2i h ASN 164 CO 0.00 0.04 -0.34 0.00 -0.00 0.00 0.00 177.43 177.13 1h2i n ILE 166 N -4.21 0.00 -0.05 0.00 0.00 -0.99 0.15 119.36 114.28 1h2i n ILE 166 Ca -0.04 0.55 0.04 0.00 0.00 0.00 0.00 62.75 63.31 1h2i n ILE 166 Cb 0.51 -0.93 0.10 0.00 0.00 0.00 0.00 39.64 39.31 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 -2.61 2.49 -4.56 9.51 -0.00 -1.26 -4.90 117.00 115.67 1h2i n LEU 167 Ca 0.16 -1.82 -0.42 0.00 -0.00 0.00 0.00 56.01 53.92 1h2i n LEU 167 Cb 0.74 -0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 44.00 1h2i n LEU 167 CO 0.16 0.61 1.00 -0.62 -0.00 0.00 0.00 177.39 178.53 1h2i s ASP 168 N -0.94 6.40 0.48 1.45 3.68 0.40 -4.93 116.67 123.22 1h2i s ASP 168 Ca 0.15 -0.05 0.23 0.00 2.13 0.00 0.00 52.55 55.02 1h2i s ASP 168 Cb 0.08 -2.52 1.27 0.00 -1.45 0.00 0.00 42.92 40.30 1h2i s ASP 168 CO 0.11 -1.43 1.89 0.11 0.13 0.00 0.00 175.17 175.98 1h2i h LYS 169 N 9.51 0.20 0.00 4.34 1.57 -1.91 -0.30 116.57 129.98 1h2i h LYS 169 Ca -0.25 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1h2i h LYS 169 CO 1.17 0.13 -0.62 -0.44 -0.57 0.00 0.00 179.45 179.12 1h2i h ASP 170 N 0.21 0.00 -0.06 0.86 3.32 -1.95 -0.90 116.42 117.89 1h2i h ASP 170 Ca 0.41 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.35 1h2i h ASP 170 Cb 1.31 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.86 1h2i h ASP 170 CO -0.09 0.62 -0.40 0.22 -1.72 0.00 0.00 179.24 177.87 1h2i h TYR 171 N 0.00 0.51 -0.29 4.55 3.20 -1.43 -2.53 116.97 120.99 1h2i h TYR 171 Ca -0.01 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.64 1h2i h TYR 171 Cb 1.12 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1h2i h TYR 171 CO 0.00 1.00 0.15 -0.07 -1.64 0.00 0.00 178.16 177.60 1h2i h LEU 172 N -0.12 0.23 -0.01 2.82 3.38 -1.21 -1.31 115.31 119.09 1h2i h LEU 172 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1h2i h LEU 172 Cb 1.07 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 1h2i h LEU 172 CO 0.08 0.17 -0.22 -0.09 0.09 0.00 0.00 178.44 178.48 1h2i h ARG 173 N 0.31 -0.33 0.00 1.13 2.43 -1.21 -0.58 114.38 116.13 1h2i h ARG 173 Ca 0.12 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1h2i h ARG 173 Cb 0.02 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1h2i h ARG 173 CO -0.07 -0.22 0.00 -1.13 -1.51 0.00 0.00 179.97 177.04 1h2i n SER 174 N -5.34 0.00 0.07 -3.80 3.41 -0.95 -2.19 113.62 104.82 1h2i n SER 174 Ca -0.05 0.03 -0.19 0.00 -0.26 0.00 0.00 58.87 58.40 1h2i n SER 174 Cb 0.26 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.50 -1.48 1.04 3.38 0.06 -3.31 115.31 115.50 1h2i h LEU 175 Ca 0.00 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 1h2i h LEU 175 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1h2i h LEU 175 CO 0.00 1.58 -0.04 0.78 0.09 0.00 0.00 178.44 180.84 1h2i h ASN 176 N 0.09 0.26 0.00 -0.43 2.35 -0.86 -2.39 115.58 114.59 1h2i h ASN 176 Ca -0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1h2i h ASN 176 Cb 2.05 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.36 1h2i h ASN 176 CO 0.18 0.35 0.00 0.29 -1.65 0.00 0.00 177.43 176.59 1h2i n LYS 177 N -4.34 0.87 -4.76 0.81 5.02 -1.17 -4.68 118.16 109.92 1h2i n LYS 177 Ca -0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1h2i n LYS 177 Cb 0.21 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 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 2.19 0.00 -0.35 1.43 -0.90 -5.09 118.68 115.96 1h2i s LEU 178 Ca 0.00 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1h2i s LEU 178 Cb 0.00 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1h2i s LEU 178 CO 0.00 0.21 0.05 -2.65 0.23 0.00 0.00 176.35 174.20 1h2i n PRO 179 N 1.70 -0.71 -2.00 1.29 -0.02 -1.26 -4.95 135.00 129.05 1h2i n PRO 179 Ca -0.17 -0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 60.80 1h2i n PRO 179 Cb 0.52 -0.15 -0.02 0.00 -0.02 0.00 0.00 33.50 33.83 1h2i n PRO 179 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h2i s ARG 180 N -2.09 4.26 -1.06 -0.52 0.52 -1.26 -4.96 118.95 113.84 1h2i s ARG 180 Ca 0.04 2.30 -0.04 0.00 -0.52 0.00 0.00 55.73 57.51 1h2i s ARG 180 Cb -0.01 -3.12 0.30 0.00 0.52 0.00 0.00 34.95 32.64 1h2i s ARG 180 CO 0.03 -0.46 1.36 0.94 0.02 0.00 0.00 175.30 177.20 1h2i n GLN 181 N 2.70 4.17 -1.69 3.54 -0.06 -1.26 -5.03 117.38 119.74 1h2i n GLN 181 Ca 0.08 -4.55 -0.42 0.00 -2.00 0.00 0.00 57.00 50.11 1h2i n GLN 181 Cb 0.40 -2.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.05 1h2i n GLN 181 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1h2i n LEU 182 N 1.53 4.03 -4.48 1.69 -0.00 -1.26 -4.83 117.00 113.69 1h2i n LEU 182 Ca 0.26 0.99 -0.56 0.00 -0.00 0.00 0.00 56.01 56.70 1h2i n LEU 182 Cb 0.35 -1.55 -0.07 0.00 -0.00 0.00 0.00 43.42 42.15 1h2i n LEU 182 CO 0.66 0.17 0.42 -2.65 -0.00 0.00 0.00 177.39 175.99 1h2i n PRO 183 N 5.50 0.02 -1.68 1.47 -0.02 -1.26 -4.91 135.00 134.12 1h2i n PRO 183 Ca 0.18 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1h2i n PRO 183 Cb 0.37 -1.38 0.08 0.00 -0.02 0.00 0.00 33.50 32.55 1h2i n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h2i s LEU 184 N 0.79 2.59 -0.18 2.45 1.98 -1.26 -5.03 118.68 120.02 1h2i s LEU 184 Ca 0.84 1.16 -0.09 0.00 -2.89 0.00 0.00 54.13 53.15 1h2i s LEU 184 Cb -1.17 -3.77 -0.05 0.00 0.66 0.00 0.00 46.19 41.86 1h2i s LEU 184 CO 0.57 -1.87 0.11 -1.61 -1.89 0.00 0.00 176.35 171.66 1h2i s GLU 185 N -5.27 3.97 -0.59 1.98 0.41 -1.26 -5.06 118.70 112.88 1h2i s GLU 185 Ca 0.61 -0.24 -0.20 0.00 -0.41 0.00 0.00 54.97 54.72 1h2i s GLU 185 Cb -0.13 -3.31 0.09 0.00 -1.78 0.00 0.00 34.13 29.00 1h2i s GLU 185 CO 0.53 0.39 0.74 0.08 -0.49 0.00 0.00 175.26 176.51 1h2i s VAL 186 N 0.08 4.73 -1.01 2.63 1.01 -1.26 -5.00 120.40 121.58 1h2i s VAL 186 Ca 0.08 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 1h2i s VAL 186 Cb -0.12 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.80 1h2i s VAL 186 CO -0.00 -1.13 1.53 -0.62 0.00 0.00 0.00 175.10 174.87 1h2i s ASP 187 N 3.46 6.30 0.00 3.32 3.68 -1.26 -4.83 116.67 127.34 1h2i s ASP 187 Ca 0.14 -1.35 0.00 0.00 2.13 0.00 0.00 52.55 53.47 1h2i s ASP 187 Cb -0.22 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.68 1h2i s ASP 187 CO 0.08 -1.69 0.09 0.18 0.13 0.00 0.00 175.17 173.97 1h2i n LEU 188 N 9.64 0.03 0.00 -1.34 4.77 -1.26 -4.27 117.00 124.58 1h2i n LEU 188 Ca 0.34 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1h2i n LEU 188 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1h2i n LEU 188 CO 0.65 0.01 0.32 0.41 -1.33 0.00 0.00 177.39 177.45 1h2i n THR 189 N -0.21 0.00 0.21 -5.08 -1.04 -1.26 -2.54 114.28 104.35 1h2i n THR 189 Ca 0.00 1.15 -0.03 0.00 -2.04 0.00 0.00 64.05 63.13 1h2i n THR 189 Cb 0.01 -1.87 0.01 0.00 -1.82 0.00 0.00 70.33 66.66 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 -1.30 1.14 -0.37 -2.82 5.02 -1.26 -4.92 118.16 113.65 1h2i n LYS 190 Ca 0.00 -0.30 -0.27 0.00 -2.02 0.00 0.00 58.31 55.71 1h2i n LYS 190 Cb 0.00 -1.12 0.26 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.73 -4.34 -2.68 7.82 0.00 -1.05 -4.96 120.51 116.01 1h2i n ALA 191 Ca 0.06 -1.40 -0.40 0.00 0.00 0.00 0.00 53.44 51.70 1h2i n ALA 191 Cb 0.57 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 -4.96 4.30 -0.00 0.00 2.20 -1.26 -4.91 119.74 115.11 1h2i s LYS 192 Ca 0.61 0.71 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1h2i s LYS 192 Cb -0.10 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1h2i s LYS 192 CO 0.50 -0.12 0.02 0.54 -0.36 0.00 0.00 175.35 175.93 1h2i n ARG 193 N 4.55 1.17 -4.48 4.03 1.74 -1.26 -5.07 116.66 117.35 1h2i n ARG 193 Ca -0.01 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 1h2i n ARG 193 Cb 0.50 -1.02 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 1h2i n ARG 193 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h2i s GLN 194 N -2.06 1.68 -0.03 5.56 -0.21 -1.26 -5.09 119.66 118.26 1h2i s GLN 194 Ca -0.00 -1.92 -0.00 0.00 0.02 0.00 0.00 55.36 53.46 1h2i s GLN 194 Cb 0.01 -1.11 -0.00 0.00 1.00 0.00 0.00 33.01 32.91 1h2i s GLN 194 CO 0.04 -0.09 -0.01 -0.44 -2.12 0.00 0.00 175.29 172.67 1h2i h ASP 195 N 2.09 0.00 -0.70 5.90 3.45 -2.04 -3.47 116.42 121.65 1h2i h ASP 195 Ca -0.41 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.54 1h2i h ASP 195 Cb 1.24 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 40.07 1h2i h ASP 195 CO 0.71 0.13 -0.17 -0.11 -1.57 0.00 0.00 179.24 178.23 1h2i n LEU 196 N -2.68 -0.45 -3.72 1.55 -0.00 -1.26 -4.98 117.00 105.46 1h2i n LEU 196 Ca -0.00 0.80 -0.30 0.00 -0.00 0.00 0.00 56.01 56.51 1h2i n LEU 196 Cb 0.01 -0.66 -0.14 0.00 -0.00 0.00 0.00 43.42 42.64 1h2i n LEU 196 CO 0.01 -1.73 -0.28 -1.61 -0.00 0.00 0.00 177.39 173.78 1h2i s GLU 197 N -0.36 1.08 0.13 1.96 0.41 -1.26 -5.06 118.70 115.61 1h2i s GLU 197 Ca 0.54 -1.67 -0.24 0.00 -0.41 0.00 0.00 54.97 53.19 1h2i s GLU 197 Cb -0.77 -2.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.34 1h2i s GLU 197 CO 0.40 -1.10 1.64 -1.35 -0.49 0.00 0.00 175.26 174.36 1h2i h PRO 198 N 7.22 -0.29 -0.63 0.39 0.11 -1.97 0.20 132.00 137.03 1h2i h PRO 198 Ca -0.05 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1h2i h PRO 198 Cb 0.96 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1h2i h PRO 198 CO 0.47 -0.19 0.36 0.66 -0.21 0.00 0.00 178.00 179.09 1h2i h SER 199 N -0.30 0.78 0.60 -2.05 4.64 -1.99 0.17 113.55 115.40 1h2i h SER 199 Ca 0.10 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1h2i h SER 199 Cb 0.44 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1h2i h SER 199 CO -0.29 0.64 -0.29 0.58 -0.87 0.00 0.00 176.83 176.60 1h2i h VAL 200 N 0.86 0.39 -0.33 0.95 2.07 -1.98 -1.66 116.25 116.56 1h2i h VAL 200 Ca 0.22 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.75 1h2i h VAL 200 Cb 0.02 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1h2i h VAL 200 CO -0.04 0.01 0.32 -0.08 0.02 0.00 0.00 177.57 177.80 1h2i h GLU 201 N -0.86 0.00 0.11 1.57 4.57 -0.24 -1.43 114.58 118.30 1h2i h GLU 201 Ca -0.08 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 1h2i h GLU 201 Cb 0.64 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1h2i h GLU 201 CO 0.14 0.00 -0.75 1.49 -1.18 0.00 0.00 179.01 178.71 1h2i h GLU 202 N 0.00 0.31 -0.51 1.92 4.81 -0.23 -2.66 114.58 118.22 1h2i h GLU 202 Ca 0.16 -0.48 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1h2i h GLU 202 Cb 0.78 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1h2i h GLU 202 CO -0.00 1.21 0.29 0.00 -0.73 0.00 0.00 179.01 179.77 1h2i h ALA 203 N 0.13 0.65 -0.89 2.92 0.00 -0.47 -2.12 119.26 119.48 1h2i h ALA 203 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1h2i h ALA 203 Cb 1.56 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1h2i h ALA 203 CO 0.14 -0.03 0.55 -0.09 0.00 0.00 0.00 179.25 179.81 1h2i h ARG 204 N 0.56 0.92 0.00 0.00 2.43 -1.34 0.61 114.38 117.55 1h2i h ARG 204 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1h2i h ARG 204 Cb 0.07 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1h2i h ARG 204 CO -0.12 0.61 0.00 -0.92 -1.51 0.00 0.00 179.97 178.03 1h2i h TYR 205 N 0.95 0.00 0.00 2.20 3.20 -1.09 -2.90 116.97 119.32 1h2i h TYR 205 Ca 0.41 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1h2i h TYR 205 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1h2i h TYR 205 CO -0.03 0.00 -1.32 0.09 -1.64 0.00 0.00 178.16 175.25 1h2i n ASN 206 N -2.67 0.50 0.08 -2.11 3.02 0.39 -3.88 115.26 110.59 1h2i n ASN 206 Ca 0.03 -0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1h2i n ASN 206 Cb 0.36 1.09 0.26 0.00 -0.61 0.00 0.00 39.78 40.89 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 -2.21 0.76 0.00 6.41 3.41 0.18 -3.07 113.62 119.11 1h2i n SER 207 Ca -0.00 0.30 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 1h2i n SER 207 Cb 0.50 -0.21 0.38 0.00 -0.26 0.00 0.00 64.21 64.63 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88