#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 -2.50 2.76 0.00 0.00 7.35 -1.26 -1.95 117.46 121.86 1h2i n PHE 26 Ca 0.05 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1h2i n PHE 26 Cb 0.17 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.39 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 2.90 1.23 0.00 7.13 0.00 0.58 -4.86 105.19 112.17 1h2i n GLY 27 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 2.57 -1.95 1.61 6.02 -0.82 -3.92 117.38 118.89 1h2i n GLN 28 Ca 0.00 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.32 1h2i n GLN 28 Cb 0.00 -0.95 0.04 0.00 1.02 0.00 0.00 30.24 30.35 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 -5.28 1.02 0.36 0.00 0.74 -1.26 -4.16 119.66 111.08 1h2i s GLN 30 Ca 0.57 -0.36 -0.27 0.00 0.05 0.00 0.00 55.36 55.35 1h2i s GLN 30 Cb -0.11 -0.95 -0.09 0.00 1.10 0.00 0.00 33.01 32.96 1h2i s GLN 30 CO 0.51 0.17 1.15 0.71 -0.55 0.00 0.00 175.29 177.28 1h2i s TYR 31 N 0.03 3.23 0.51 1.67 1.51 -1.26 -5.00 117.35 118.03 1h2i s TYR 31 Ca -0.01 1.59 -0.18 0.00 -1.01 0.00 0.00 57.07 57.46 1h2i s TYR 31 Cb -0.07 -3.37 -0.08 0.00 -0.11 0.00 0.00 41.96 38.33 1h2i s TYR 31 CO 0.00 -1.09 1.01 0.95 -1.11 0.00 0.00 175.55 175.31 1h2i s THR 32 N -1.34 4.14 0.29 -0.71 -4.23 -1.26 -4.83 115.64 107.70 1h2i s THR 32 Ca 0.53 1.16 0.03 0.00 -1.18 0.00 0.00 61.69 62.23 1h2i s THR 32 Cb -0.31 -3.55 0.28 0.00 1.34 0.00 0.00 72.50 70.26 1h2i s THR 32 CO 0.40 -0.46 1.76 0.00 -0.54 0.00 0.00 174.62 175.79 1h2i h ALA 33 N 1.17 1.50 -0.24 3.99 0.00 -1.98 0.07 119.26 123.76 1h2i h ALA 33 Ca -0.48 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1h2i h ALA 33 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1h2i h ALA 33 CO 0.60 -0.09 0.02 1.49 0.00 0.00 0.00 179.25 181.27 1h2i h GLU 34 N 0.68 0.41 -0.39 0.00 4.81 -1.99 -0.57 114.58 117.52 1h2i h GLU 34 Ca 0.53 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.49 1h2i h GLU 34 Cb 0.82 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1h2i h GLU 34 CO -0.39 0.56 -0.35 1.49 -0.73 0.00 0.00 179.01 179.60 1h2i h GLU 35 N 0.20 0.93 -0.49 1.92 4.81 -1.81 -1.91 114.58 118.23 1h2i h GLU 35 Ca 0.07 -0.48 0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1h2i h GLU 35 Cb 0.37 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1h2i h GLU 35 CO 0.01 1.13 0.18 -0.92 -0.73 0.00 0.00 179.01 178.68 1h2i h TYR 36 N 0.75 0.32 -0.55 0.92 3.20 -0.93 -0.83 116.97 119.84 1h2i h TYR 36 Ca 0.07 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 1h2i h TYR 36 Cb 0.94 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1h2i h TYR 36 CO 0.06 0.11 -0.03 0.37 -1.64 0.00 0.00 178.16 177.04 1h2i h GLN 37 N 0.36 0.99 -0.47 1.82 4.15 -1.00 -0.71 115.11 120.26 1h2i h GLN 37 Ca 0.23 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1h2i h GLN 37 Cb 0.23 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1h2i h GLN 37 CO -0.23 1.00 0.12 0.00 -1.93 0.00 0.00 178.83 177.79 1h2i h ALA 38 N 0.95 0.61 -0.24 3.38 0.00 -0.91 -2.41 119.26 120.64 1h2i h ALA 38 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1h2i h ALA 38 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1h2i h ALA 38 CO 0.03 0.30 -0.01 0.82 0.00 0.00 0.00 179.25 180.39 1h2i h ILE 39 N 0.63 1.26 -0.58 0.00 2.04 -1.06 0.02 117.51 119.82 1h2i h ILE 39 Ca 0.15 -0.93 0.11 0.00 1.00 0.00 0.00 64.86 65.19 1h2i h ILE 39 Cb 0.32 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.70 1h2i h ILE 39 CO 0.00 0.29 0.06 1.56 0.00 0.00 0.00 178.15 180.06 1h2i h GLN 40 N 0.19 0.18 0.02 2.37 1.08 -1.02 0.11 115.11 118.05 1h2i h GLN 40 Ca 0.07 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1h2i h GLN 40 Cb 0.43 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1h2i h GLN 40 CO 0.01 0.12 -0.01 0.87 -0.95 0.00 0.00 178.83 178.87 1h2i h LYS 41 N 0.18 -0.03 -0.81 1.46 1.57 -1.30 -3.14 116.57 114.50 1h2i h LYS 41 Ca 0.30 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1h2i h LYS 41 Cb 0.47 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 1h2i h LYS 41 CO -0.44 0.32 0.53 0.00 -0.57 0.00 0.00 179.45 179.29 1h2i h ALA 42 N 0.59 1.68 0.00 3.86 0.00 -0.28 -1.69 119.26 123.43 1h2i h ALA 42 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 42 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h2i h ALA 42 CO 0.00 0.17 -0.04 -0.07 0.00 0.00 0.00 179.25 179.32 1h2i h LEU 43 N 0.81 0.00 -1.74 0.00 3.38 -0.75 -2.36 115.31 114.65 1h2i h LEU 43 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1h2i h LEU 43 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1h2i h LEU 43 CO -0.14 0.04 -0.16 0.03 0.09 0.00 0.00 178.44 178.30 1h2i h ARG 44 N 0.00 0.00 -6.98 1.13 3.08 -1.33 0.27 114.38 110.56 1h2i h ARG 44 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1h2i h ARG 44 Cb 0.07 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.23 1h2i h ARG 44 CO 0.00 0.16 0.71 -0.65 -1.07 0.00 0.00 179.97 179.12 1h2i s GLN 45 N -4.13 3.81 0.42 0.04 -0.21 -0.89 -4.62 119.66 114.08 1h2i s GLN 45 Ca -0.02 2.43 -0.03 0.00 0.02 0.00 0.00 55.36 57.75 1h2i s GLN 45 Cb 0.13 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1h2i s GLN 45 CO 0.61 -0.72 0.69 1.03 -2.12 0.00 0.00 175.29 174.78 1h2i s ARG 46 N -2.35 3.54 -0.04 2.91 1.81 -1.26 -1.13 118.95 122.43 1h2i s ARG 46 Ca 0.59 0.02 -0.05 0.00 -1.72 0.00 0.00 55.73 54.57 1h2i s ARG 46 Cb -0.44 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 1h2i s ARG 46 CO 0.57 -0.06 0.19 -0.48 -0.68 0.00 0.00 175.30 174.84 1h2i s LEU 47 N -4.50 4.38 1.21 2.53 2.34 -1.26 -4.91 118.68 118.47 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 -2.48 0.29 0.00 -0.56 0.00 0.00 46.19 43.34 1h2i s LEU 47 CO 0.41 0.30 1.02 -0.83 -1.06 0.00 0.00 176.35 176.19 1h2i s GLY 48 N -1.65 1.51 0.61 -3.48 0.00 -1.26 -4.89 107.32 98.16 1h2i s GLY 48 Ca 0.24 -0.45 0.32 0.00 0.00 0.00 0.00 44.72 44.83 1h2i s GLY 48 CO 0.14 0.35 2.23 -2.55 0.00 0.00 0.00 173.10 173.27 1h2i h PRO 49 N -2.72 0.00 0.00 2.90 0.11 -1.96 -2.08 132.00 128.25 1h2i h PRO 49 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 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 0.45 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.39 1h2i n GLU 50 N -3.67 0.07 -0.08 1.05 0.00 -1.26 -2.63 120.64 114.12 1h2i n GLU 50 Ca -0.02 0.38 -0.08 0.00 0.00 0.00 0.00 57.16 57.44 1h2i n GLU 50 Cb 0.15 -1.65 -0.16 0.00 0.00 0.00 0.00 31.44 29.78 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 -1.78 0.18 -3.07 -1.84 4.02 -0.78 -4.98 117.16 108.92 1h2i n TYR 51 Ca 0.02 0.07 -0.39 0.00 -0.01 0.00 0.00 57.90 57.58 1h2i n TYR 51 Cb 0.14 -1.00 -0.05 0.00 -0.02 0.00 0.00 39.34 38.40 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 -2.57 4.74 0.33 -0.72 -1.09 -1.08 -4.37 121.20 116.43 1h2i s ILE 52 Ca -0.09 1.50 0.03 0.00 -2.23 0.00 0.00 60.65 59.86 1h2i s ILE 52 Cb 0.07 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1h2i s ILE 52 CO 0.83 0.41 0.10 -0.94 -1.23 0.00 0.00 174.94 174.12 1h2i s SER 53 N -0.30 2.09 0.13 3.58 1.04 -0.19 -4.98 113.70 115.07 1h2i s SER 53 Ca 0.35 -1.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.18 1h2i s SER 53 Cb -0.20 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1h2i s SER 53 CO 0.21 -0.78 0.28 -0.94 0.98 0.00 0.00 173.24 173.00 1h2i s SER 54 N -3.46 0.01 0.22 7.02 1.04 -1.26 -1.16 113.70 116.10 1h2i s SER 54 Ca 0.33 -0.69 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1h2i s SER 54 Cb 0.06 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1h2i s SER 54 CO 0.15 -0.84 0.22 0.00 0.98 0.00 0.00 173.24 173.75 1h2i s ARG 55 N -3.90 1.32 -0.29 4.02 1.70 -0.49 -4.95 118.95 116.36 1h2i s ARG 55 Ca 0.10 -1.58 -0.16 0.00 -0.47 0.00 0.00 55.73 53.62 1h2i s ARG 55 Cb 0.03 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.06 -0.47 0.41 -1.64 -1.08 0.00 0.00 175.30 172.47 1h2i s MET 56 N -4.06 3.88 0.75 3.89 -1.94 -1.26 -1.18 119.30 119.38 1h2i s MET 56 Ca 0.36 -0.04 -0.11 0.00 -1.71 0.00 0.00 55.69 54.19 1h2i s MET 56 Cb 0.05 -3.70 0.04 0.00 2.01 0.00 0.00 34.83 33.23 1h2i s MET 56 CO 0.13 -0.39 1.08 0.00 -0.01 0.00 0.00 175.02 175.83 1h2i s ALA 57 N 2.14 2.46 0.34 3.03 0.00 0.53 -4.88 121.76 125.38 1h2i s ALA 57 Ca 0.16 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.09 1h2i s ALA 57 Cb -0.16 -3.13 0.70 0.00 0.00 0.00 0.00 23.12 20.52 1h2i s ALA 57 CO 0.11 -1.49 1.92 0.78 0.00 0.00 0.00 175.76 177.08 1h2i h GLY 58 N -0.91 1.13 -0.91 0.00 0.00 -1.98 -0.04 103.07 100.36 1h2i h GLY 58 Ca -0.46 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1h2i h GLY 58 CO 0.58 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.94 1h2i n GLY 59 N -1.43 0.78 3.63 4.60 0.00 -1.26 -4.74 105.19 106.78 1h2i n GLY 59 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.19 -0.53 3.05 -0.02 0.00 -0.03 -4.98 105.19 102.86 1h2i n GLY 60 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.35 1.05 0.29 1.61 -2.07 -1.21 -4.90 119.66 108.09 1h2i s GLN 61 Ca 0.59 -0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 53.43 1h2i s GLN 61 Cb -0.27 -0.99 -0.12 0.00 -1.09 0.00 0.00 33.01 30.54 1h2i s GLN 61 CO 0.73 0.20 1.50 1.17 -1.32 0.00 0.00 175.29 177.56 1h2i n LYS 62 N 3.01 2.45 -3.86 9.60 4.81 -1.26 -0.34 118.16 132.56 1h2i n LYS 62 Ca -0.16 0.87 -0.26 0.00 -0.87 0.00 0.00 58.31 57.89 1h2i n LYS 62 Cb 0.55 -2.59 -0.17 0.00 0.02 0.00 0.00 35.03 32.84 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 -0.27 0.83 0.16 3.15 1.01 -0.32 -4.86 120.40 120.10 1h2i s VAL 63 Ca 0.63 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 1h2i s VAL 63 Cb -0.54 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 1h2i s VAL 63 CO 0.52 0.30 0.54 0.00 0.00 0.00 0.00 175.10 176.47 1h2i s TYR 65 N -1.53 -0.27 -0.10 0.00 -0.85 -0.31 -4.99 117.35 109.30 1h2i s TYR 65 Ca 0.40 -0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.88 1h2i s TYR 65 Cb -0.14 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1h2i s TYR 65 CO 0.19 -0.97 -0.05 0.42 -1.52 0.00 0.00 175.55 173.63 1h2i s ILE 66 N -3.63 3.87 0.35 -3.49 1.01 -1.26 -1.02 121.20 117.02 1h2i s ILE 66 Ca 0.08 -0.40 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 1h2i s ILE 66 Cb -0.03 -2.62 -0.09 0.00 0.01 0.00 0.00 42.46 39.73 1h2i s ILE 66 CO -0.00 0.57 1.08 -1.61 0.00 0.00 0.00 174.94 174.97 1h2i s GLU 67 N -0.50 4.36 0.28 2.79 2.02 -1.26 -4.90 118.70 121.49 1h2i s GLU 67 Ca 0.08 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.73 1h2i s GLU 67 Cb -0.12 -2.83 0.64 0.00 0.10 0.00 0.00 34.13 31.92 1h2i s GLU 67 CO 0.02 0.00 1.67 0.78 0.02 0.00 0.00 175.26 177.76 1h2i h GLY 68 N 3.08 1.31 2.00 -1.39 0.00 -1.99 0.10 103.07 106.19 1h2i h GLY 68 Ca -0.48 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 1h2i h GLY 68 CO 0.64 -0.29 -0.23 1.12 0.00 0.00 0.00 176.54 177.79 1h2i h HIS 69 N 0.29 0.00 -0.23 5.60 2.07 -1.99 -0.26 115.15 120.62 1h2i h HIS 69 Ca 0.51 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.83 1h2i h HIS 69 Cb 0.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.96 1h2i h HIS 69 CO -0.23 0.23 -0.64 0.00 -3.07 0.00 0.00 177.93 174.22 1h2i h ARG 70 N 0.00 0.83 -0.61 5.12 2.47 -1.18 -2.20 114.38 118.82 1h2i h ARG 70 Ca -0.00 -0.59 -0.05 0.00 -1.26 0.00 0.00 59.98 58.07 1h2i h ARG 70 Cb 0.49 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 1h2i h ARG 70 CO 0.03 1.22 0.18 0.28 0.56 0.00 0.00 179.97 182.24 1h2i h VAL 71 N 0.60 1.25 -0.42 2.04 2.07 -0.81 0.43 116.25 121.40 1h2i h VAL 71 Ca -0.02 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1h2i h VAL 71 Cb 1.26 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1h2i h VAL 71 CO 0.14 0.32 0.27 0.40 0.02 0.00 0.00 177.57 178.72 1h2i h ILE 72 N 0.88 1.11 -0.22 4.57 2.04 -1.04 0.34 117.51 125.19 1h2i h ILE 72 Ca 0.20 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1h2i h ILE 72 Cb 0.30 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1h2i h ILE 72 CO -0.00 0.11 -0.26 0.78 0.00 0.00 0.00 178.15 178.77 1h2i h ASN 73 N 0.57 0.41 -0.10 1.72 2.35 -1.05 -0.11 115.58 119.37 1h2i h ASN 73 Ca 0.15 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1h2i h ASN 73 Cb -0.06 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1h2i h ASN 73 CO -0.03 0.67 0.05 -0.07 -1.65 0.00 0.00 177.43 176.40 1h2i h LEU 74 N 0.36 0.12 -0.37 1.61 3.38 -0.33 -1.24 115.31 118.85 1h2i h LEU 74 Ca 0.05 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1h2i h LEU 74 Cb 0.65 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1h2i h LEU 74 CO 0.05 0.19 0.23 0.00 0.09 0.00 0.00 178.44 178.99 1h2i h ALA 75 N 0.94 0.46 -0.97 1.53 0.00 -0.57 0.18 119.26 120.83 1h2i h ALA 75 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 75 Cb 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1h2i h ALA 75 CO -0.00 -0.10 0.61 -0.91 0.00 0.00 0.00 179.25 178.85 1h2i h ASN 76 N 0.47 1.14 0.76 0.00 2.35 -0.89 0.03 115.58 119.45 1h2i h ASN 76 Ca 0.14 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 1h2i h ASN 76 Cb -0.03 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1h2i h ASN 76 CO -0.05 0.85 -0.83 -0.33 -1.65 0.00 0.00 177.43 175.42 1h2i h GLU 77 N 1.33 0.05 -0.05 0.81 4.39 -0.73 0.42 114.58 120.79 1h2i h GLU 77 Ca 0.35 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.85 1h2i h GLU 77 Cb -0.10 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1h2i h GLU 77 CO -0.07 0.85 -0.55 1.98 -1.16 0.00 0.00 179.01 180.06 1h2i h MET 78 N 0.02 0.47 -0.00 2.33 4.05 -0.29 -3.38 114.93 118.13 1h2i h MET 78 Ca -0.02 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1h2i h MET 78 Cb 1.46 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 1h2i h MET 78 CO 0.11 1.08 -0.28 1.19 0.23 0.00 0.00 176.91 179.24 1h2i n PHE 79 N -4.22 0.00 0.00 1.39 3.72 -0.03 -4.97 117.46 113.35 1h2i n PHE 79 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1h2i n PHE 79 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.00 0.58 0.29 1.37 0.00 0.15 -3.18 105.19 105.41 1h2i n GLY 80 Ca 0.03 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.34 1.61 -0.00 -1.89 -0.56 116.97 115.79 1h2i h TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h2i h TYR 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1h2i h TYR 81 CO 0.00 0.05 0.00 0.27 -0.00 0.00 0.00 178.16 178.48 1h2i n ASN 82 N -3.60 4.03 -0.22 0.10 2.04 -1.26 -4.51 115.26 111.84 1h2i n ASN 82 Ca -0.02 -2.81 0.08 0.00 -0.44 0.00 0.00 54.58 51.39 1h2i n ASN 82 Cb 0.16 -0.51 -0.04 0.00 -2.53 0.00 0.00 39.78 36.86 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 -0.09 -0.23 3.11 4.83 0.00 -0.22 -4.72 105.19 107.88 1h2i n GLY 83 Ca 0.21 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.18 0.25 0.16 1.61 1.48 -1.25 -1.09 118.94 117.91 1h2i s TRP 84 Ca 0.10 -0.60 -0.10 0.00 -1.06 0.00 0.00 56.10 54.44 1h2i s TRP 84 Cb 0.13 -0.17 -0.00 0.00 -1.16 0.00 0.00 33.47 32.26 1h2i s TRP 84 CO 0.52 -0.38 0.31 0.00 -4.06 0.00 0.00 176.95 173.34 1h2i s ALA 85 N -2.89 -0.17 -0.06 2.67 0.00 0.14 -4.96 121.76 116.49 1h2i s ALA 85 Ca -0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1h2i s ALA 85 Cb 0.01 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1h2i s ALA 85 CO -0.06 -0.65 0.37 -3.38 0.00 0.00 0.00 175.76 172.04 1h2i s HIS 86 N -3.94 -0.30 0.11 0.00 -3.43 -1.26 0.19 115.29 106.66 1h2i s HIS 86 Ca 0.14 0.57 0.01 0.00 -0.80 0.00 0.00 55.06 54.99 1h2i s HIS 86 Cb 0.03 0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 31.28 1h2i s HIS 86 CO -0.02 -0.36 -0.04 -1.54 -2.00 0.00 0.00 174.74 170.78 1h2i s SER 87 N -0.87 1.07 -0.43 7.38 1.04 -0.34 -4.99 113.70 116.56 1h2i s SER 87 Ca -0.09 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 1h2i s SER 87 Cb -0.04 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.24 1h2i s SER 87 CO 0.04 -0.51 0.33 -0.63 0.98 0.00 0.00 173.24 173.45 1h2i s ILE 88 N -3.67 5.15 0.20 -1.02 1.01 -1.26 -1.22 121.20 120.38 1h2i s ILE 88 Ca 0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1h2i s ILE 88 Cb 0.06 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1h2i s ILE 88 CO -0.03 -0.43 1.56 0.71 0.00 0.00 0.00 174.94 176.76 1h2i h THR 89 N 5.72 1.29 -1.72 2.92 1.35 -0.99 -3.46 112.91 118.02 1h2i h THR 89 Ca -0.27 -1.55 0.03 0.00 -0.55 0.00 0.00 66.41 64.06 1h2i h THR 89 Cb 1.11 1.48 -0.22 0.00 -1.73 0.00 0.00 68.15 68.79 1h2i h THR 89 CO 0.79 0.50 0.40 -1.58 -0.25 0.00 0.00 175.52 175.38 1h2i s GLN 90 N -4.31 0.74 -0.07 4.72 0.74 -1.18 -4.99 119.66 115.31 1h2i s GLN 90 Ca -0.08 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.62 1h2i s GLN 90 Cb 0.12 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.60 1h2i s GLN 90 CO 0.84 -0.21 -0.09 -1.14 -0.55 0.00 0.00 175.29 174.15 1h2i s GLN 91 N -0.88 1.40 -0.09 1.67 0.74 -1.26 -0.33 119.66 120.90 1h2i s GLN 91 Ca -0.04 -0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.12 1h2i s GLN 91 Cb -0.01 -1.29 0.01 0.00 1.10 0.00 0.00 33.01 32.82 1h2i s GLN 91 CO 0.03 -0.09 -0.14 1.21 -0.55 0.00 0.00 175.29 175.75 1h2i s ASN 92 N 1.04 2.22 -0.39 6.67 3.84 0.38 -5.00 114.94 123.71 1h2i s ASN 92 Ca -0.08 -0.38 -0.29 0.00 0.21 0.00 0.00 52.86 52.32 1h2i s ASN 92 Cb -0.14 -1.00 0.02 0.00 -0.55 0.00 0.00 41.25 39.58 1h2i s ASN 92 CO -0.01 0.02 1.11 -0.69 -2.79 0.00 0.00 177.10 174.74 1h2i s VAL 93 N 0.87 4.37 0.15 -5.21 1.01 -1.26 -1.39 120.40 118.94 1h2i s VAL 93 Ca -0.10 1.51 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1h2i s VAL 93 Cb -0.15 -4.50 -0.13 0.00 0.00 0.00 0.00 36.38 31.60 1h2i s VAL 93 CO 0.01 -0.71 1.38 0.44 0.00 0.00 0.00 175.10 176.22 1h2i h ASP 94 N 8.60 0.63 -3.84 3.32 3.45 -0.46 -3.47 116.42 124.65 1h2i h ASP 94 Ca -0.22 -0.42 0.19 0.00 0.43 0.00 0.00 57.03 57.01 1h2i h ASP 94 Cb 1.06 -0.19 -0.23 0.00 -0.56 0.00 0.00 39.33 39.41 1h2i h ASP 94 CO 1.08 1.19 0.76 0.72 -1.57 0.00 0.00 179.24 181.41 1h2i s PHE 95 N -3.63 -0.18 -0.34 4.55 -0.12 -1.18 -4.97 117.98 112.10 1h2i s PHE 95 Ca -0.07 0.25 -0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1h2i s PHE 95 Cb 0.10 0.49 0.11 0.00 -0.63 0.00 0.00 43.02 43.09 1h2i s PHE 95 CO 0.86 -0.21 0.14 0.08 -0.05 0.00 0.00 175.22 176.05 1h2i s VAL 96 N -1.56 0.81 -0.12 -2.49 1.01 -1.26 -2.37 120.40 114.41 1h2i s VAL 96 Ca 0.05 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.36 1h2i s VAL 96 Cb -0.01 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1h2i s VAL 96 CO -0.04 -0.76 0.08 -1.81 0.00 0.00 0.00 175.10 172.56 1h2i s ASP 97 N 1.33 5.85 -0.37 3.32 1.01 0.25 -4.94 116.67 123.11 1h2i s ASP 97 Ca 0.12 0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.61 1h2i s ASP 97 Cb -0.19 -1.85 0.08 0.00 1.01 0.00 0.00 42.92 41.96 1h2i s ASP 97 CO -0.18 0.34 0.15 -0.22 0.21 0.00 0.00 175.17 175.47 1h2i s LEU 98 N -0.63 4.75 0.00 1.23 2.96 -1.26 -0.18 118.68 125.55 1h2i s LEU 98 Ca 0.12 -1.61 0.16 0.00 -0.22 0.00 0.00 54.13 52.58 1h2i s LEU 98 Cb -0.12 -1.83 0.12 0.00 0.50 0.00 0.00 46.19 44.86 1h2i s LEU 98 CO 0.02 -0.44 1.00 0.59 -1.32 0.00 0.00 176.35 176.21 1h2i n ASN 99 N 4.69 2.32 0.00 3.68 5.03 -0.79 -4.95 115.26 125.23 1h2i n ASN 99 Ca -0.08 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1h2i n ASN 99 Cb 0.43 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 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 0.88 0.00 -0.24 6.41 3.02 -1.26 -4.92 115.26 119.15 1h2i n ASN 100 Ca 0.09 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 1h2i n ASN 100 Cb 0.40 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.65 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 3.25 3.48 7.41 0.00 -1.26 -5.03 105.19 113.05 1h2i n GLY 101 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.37 1.73 -0.06 1.61 1.02 -1.26 -4.51 119.74 116.90 1h2i s LYS 102 Ca 0.13 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 54.75 1h2i s LYS 102 Cb 0.09 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1h2i s LYS 102 CO 0.05 0.44 0.13 -0.06 -0.92 0.00 0.00 175.35 174.99 1h2i s PHE 103 N -1.44 3.48 -0.18 3.18 0.40 0.34 -1.89 117.98 121.87 1h2i s PHE 103 Ca 0.20 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.92 1h2i s PHE 103 Cb -0.09 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.63 1h2i s PHE 103 CO 0.11 0.65 -0.08 0.71 0.70 0.00 0.00 175.22 177.31 1h2i s TYR 104 N -1.14 2.06 -0.06 0.36 1.51 0.75 -1.12 117.35 119.71 1h2i s TYR 104 Ca 0.20 -1.33 0.02 0.00 -1.01 0.00 0.00 57.07 54.96 1h2i s TYR 104 Cb -0.12 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.26 1h2i s TYR 104 CO 0.11 -0.68 -0.12 0.08 -1.11 0.00 0.00 175.55 173.83 1h2i s VAL 105 N 1.52 1.09 -0.13 0.71 1.01 0.43 -0.58 120.40 124.45 1h2i s VAL 105 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1h2i s VAL 105 Cb -0.16 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1h2i s VAL 105 CO -0.08 0.34 -0.17 -0.83 0.00 0.00 0.00 175.10 174.36 1h2i s GLY 106 N 0.59 1.16 -0.02 4.51 0.00 -1.00 -1.86 107.32 110.70 1h2i s GLY 106 Ca -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1h2i s GLY 106 CO 0.03 0.24 -0.12 0.14 0.00 0.00 0.00 173.10 173.39 1h2i s VAL 107 N 1.08 0.99 0.08 1.40 1.01 -0.16 0.36 120.40 125.17 1h2i s VAL 107 Ca -0.03 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1h2i s VAL 107 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1h2i s VAL 107 CO -0.04 0.29 -0.22 0.00 0.00 0.00 0.00 175.10 175.12 1h2i s ALA 109 N -0.99 0.95 -0.27 0.00 0.00 -0.26 -0.47 121.76 120.72 1h2i s ALA 109 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1h2i s ALA 109 Cb -0.10 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1h2i s ALA 109 CO 0.06 0.17 0.00 -0.06 0.00 0.00 0.00 175.76 175.93 1h2i s PHE 110 N -0.74 3.11 -0.15 0.00 0.40 0.55 -0.46 117.98 120.69 1h2i s PHE 110 Ca 0.00 -1.30 -0.01 0.00 -0.60 0.00 0.00 56.93 55.02 1h2i s PHE 110 Cb -0.07 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 1h2i s PHE 110 CO 0.01 -0.66 -0.10 0.08 0.70 0.00 0.00 175.22 175.24 1h2i s VAL 111 N 1.40 3.23 -0.24 -0.44 1.01 -0.41 -0.25 120.40 124.71 1h2i s VAL 111 Ca 0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1h2i s VAL 111 Cb -0.17 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1h2i s VAL 111 CO -0.01 0.51 0.03 -0.60 0.00 0.00 0.00 175.10 175.02 1h2i s ARG 112 N 0.48 3.53 -0.00 2.72 3.52 -0.36 -1.86 118.95 126.98 1h2i s ARG 112 Ca -0.08 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 1h2i s ARG 112 Cb -0.15 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1h2i s ARG 112 CO 0.04 -0.20 -0.03 0.54 -0.81 0.00 0.00 175.30 174.84 1h2i s VAL 113 N 1.56 3.93 0.01 7.11 0.11 -0.18 -1.19 120.40 131.76 1h2i s VAL 113 Ca 0.06 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1h2i s VAL 113 Cb -0.15 -2.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.96 1h2i s VAL 113 CO 0.01 0.39 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.56 1h2i s GLN 114 N -1.46 0.27 0.44 1.54 0.74 0.13 -1.80 119.66 119.52 1h2i s GLN 114 Ca 0.18 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.23 1h2i s GLN 114 Cb -0.11 -0.08 0.00 0.00 1.10 0.00 0.00 33.01 33.91 1h2i s GLN 114 CO 0.09 0.01 0.65 -0.51 -0.55 0.00 0.00 175.29 174.97 1h2i s LEU 115 N -0.82 3.65 0.63 3.68 1.02 -0.13 0.29 118.68 127.00 1h2i s LEU 115 Ca -0.07 0.12 0.41 0.00 0.02 0.00 0.00 54.13 54.62 1h2i s LEU 115 Cb -0.06 -3.02 2.25 0.00 0.02 0.00 0.00 46.19 45.38 1h2i s LEU 115 CO -0.00 -0.72 2.27 0.07 0.02 0.00 0.00 176.35 177.98 1h2i h LYS 116 N 0.45 0.00 -0.83 1.70 2.10 -1.40 -0.16 116.57 118.43 1h2i h LYS 116 Ca -0.45 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 1h2i h LYS 116 Cb 1.26 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.55 1h2i h LYS 116 CO 0.55 0.00 0.39 0.22 -2.00 0.00 0.00 179.45 178.61 1h2i h ASP 117 N 0.00 1.10 0.00 7.07 -0.00 -1.84 0.19 116.42 122.94 1h2i h ASP 117 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 1h2i h ASP 117 Cb 0.04 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.09 1h2i h ASP 117 CO 0.00 0.94 0.00 0.61 -0.00 0.00 0.00 179.24 180.79 1h2i n GLY 118 N -0.98 1.34 3.77 -0.78 0.00 -0.07 -4.55 105.19 103.91 1h2i n GLY 118 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.86 5.34 0.15 1.61 1.04 -1.26 -4.76 113.70 113.96 1h2i s SER 119 Ca 0.00 2.16 -0.22 0.00 0.48 0.00 0.00 55.95 58.37 1h2i s SER 119 Cb 0.00 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.61 1h2i s SER 119 CO 0.00 -1.48 0.56 -0.72 0.98 0.00 0.00 173.24 172.58 1h2i s TYR 120 N -1.96 -0.48 -0.04 5.02 -0.85 -1.26 -0.95 117.35 116.83 1h2i s TYR 120 Ca 0.71 0.25 -0.04 0.00 -0.52 0.00 0.00 57.07 57.47 1h2i s TYR 120 Cb -0.24 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.61 1h2i s TYR 120 CO 0.34 -0.82 0.12 -1.01 -1.52 0.00 0.00 175.55 172.66 1h2i s HIS 121 N -3.75 -0.11 0.03 -3.49 3.76 -0.74 -5.00 115.29 105.99 1h2i s HIS 121 Ca 0.01 0.26 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1h2i s HIS 121 Cb -0.00 0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.70 1h2i s HIS 121 CO -0.13 -0.09 -0.15 -2.00 -0.85 0.00 0.00 174.74 171.52 1h2i s GLU 122 N -0.12 1.07 0.29 1.40 2.12 -1.26 -1.01 118.70 121.19 1h2i s GLU 122 Ca -0.02 -0.74 -0.10 0.00 0.36 0.00 0.00 54.97 54.47 1h2i s GLU 122 Cb -0.02 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.29 1h2i s GLU 122 CO 0.00 0.28 0.51 0.34 -0.54 0.00 0.00 175.26 175.85 1h2i s ASP 123 N -0.98 0.21 0.00 -1.70 -1.08 -0.78 -4.89 116.67 107.46 1h2i s ASP 123 Ca 0.04 -1.12 -0.02 0.00 -0.52 0.00 0.00 52.55 50.93 1h2i s ASP 123 Cb -0.08 0.64 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1h2i s ASP 123 CO 0.01 -1.24 0.19 0.68 0.52 0.00 0.00 175.17 175.32 1h2i s VAL 124 N -3.56 5.43 0.17 1.11 -7.23 -1.26 -1.29 120.40 113.77 1h2i s VAL 124 Ca 0.24 -0.19 0.09 0.00 -1.81 0.00 0.00 61.98 60.31 1h2i s VAL 124 Cb -0.01 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1h2i s VAL 124 CO 0.13 0.29 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.18 1h2i s GLY 125 N -2.04 1.44 0.05 2.32 0.00 0.39 -4.51 107.32 104.97 1h2i s GLY 125 Ca 0.29 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.56 1h2i s GLY 125 CO 0.20 -1.55 -0.15 -0.47 0.00 0.00 0.00 173.10 171.13 1h2i s TYR 126 N -1.95 1.34 -0.04 1.90 5.04 -1.26 -1.10 117.35 121.28 1h2i s TYR 126 Ca 0.16 -0.37 0.04 0.00 -2.44 0.00 0.00 57.07 54.46 1h2i s TYR 126 Cb -0.06 -0.79 -0.00 0.00 0.35 0.00 0.00 41.96 41.46 1h2i s TYR 126 CO 0.07 0.05 -0.16 0.20 -1.34 0.00 0.00 175.55 174.37 1h2i s GLY 127 N -1.23 0.87 0.02 8.97 0.00 0.23 -3.96 107.32 112.21 1h2i s GLY 127 Ca 0.02 -0.65 0.05 0.00 0.00 0.00 0.00 44.72 44.15 1h2i s GLY 127 CO 0.02 -0.33 -0.15 0.14 0.00 0.00 0.00 173.10 172.77 1h2i s VAL 128 N 0.04 1.19 -0.11 1.40 1.01 -1.26 -0.99 120.40 121.68 1h2i s VAL 128 Ca -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1h2i s VAL 128 Cb -0.11 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.29 1h2i s VAL 128 CO 0.02 0.16 0.13 -0.55 0.00 0.00 0.00 175.10 174.86 1h2i s SER 129 N -0.80 1.23 -0.07 3.32 0.15 -0.78 -4.55 113.70 112.21 1h2i s SER 129 Ca 0.04 0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.73 1h2i s SER 129 Cb -0.07 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1h2i s SER 129 CO 0.01 -0.28 -0.11 -1.61 1.20 0.00 0.00 173.24 172.45 1h2i s GLU 130 N 2.24 1.60 0.00 5.44 2.02 -1.26 -0.42 118.70 128.32 1h2i s GLU 130 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1h2i s GLU 130 Cb -0.13 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1h2i s GLU 130 CO -0.07 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1h2i n GLY 131 N 3.90 2.81 3.79 -1.39 0.00 -0.27 -5.00 105.19 109.03 1h2i n GLY 131 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 2.99 -0.01 0.99 1.43 -1.25 -4.62 118.68 118.21 1h2i s LEU 132 Ca 0.00 1.67 0.21 0.00 -1.03 0.00 0.00 54.13 54.98 1h2i s LEU 132 Cb 0.00 -4.42 -0.25 0.00 0.03 0.00 0.00 46.19 41.55 1h2i s LEU 132 CO 0.00 -1.82 0.80 0.29 0.23 0.00 0.00 176.35 175.85 1h2i n LYS 133 N -3.38 0.16 -3.19 1.70 5.02 -1.26 -0.51 118.16 116.70 1h2i n LYS 133 Ca 0.08 -0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 1h2i n LYS 133 Cb 0.54 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -3.36 6.52 0.06 4.39 0.15 -1.26 -4.81 113.70 115.38 1h2i s SER 134 Ca 0.04 0.62 -0.22 0.00 0.70 0.00 0.00 55.95 57.10 1h2i s SER 134 Cb 0.16 -2.30 -0.13 0.00 -1.71 0.00 0.00 66.02 62.03 1h2i s SER 134 CO 0.88 -0.29 1.55 0.50 1.20 0.00 0.00 173.24 177.08 1h2i h LYS 135 N 7.83 0.18 0.14 5.44 3.64 -1.98 -1.71 116.57 130.11 1h2i h LYS 135 Ca -0.29 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1h2i h LYS 135 Cb 1.14 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1h2i h LYS 135 CO 0.74 0.35 -0.17 0.00 -2.27 0.00 0.00 179.45 178.10 1h2i h ALA 136 N 0.82 -0.31 -0.18 5.00 0.00 -1.99 0.86 119.26 123.45 1h2i h ALA 136 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h2i h ALA 136 Cb 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1h2i h ALA 136 CO 0.00 -0.70 0.10 -0.07 0.00 0.00 0.00 179.25 178.58 1h2i h LEU 137 N -0.35 0.21 -0.05 0.00 -0.00 -1.97 0.08 115.31 113.23 1h2i h LEU 137 Ca 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1h2i h LEU 137 Cb 0.35 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1h2i h LEU 137 CO -0.07 0.17 -0.10 0.28 -0.00 0.00 0.00 178.44 178.73 1h2i h SER 138 N 0.25 0.17 -0.50 -0.43 0.02 -0.39 -2.05 113.55 110.62 1h2i h SER 138 Ca 0.07 -0.57 0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1h2i h SER 138 Cb 0.01 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1h2i h SER 138 CO -0.01 0.71 0.32 -0.07 -1.14 0.00 0.00 176.83 176.64 1h2i h LEU 139 N -0.37 0.55 -0.60 5.07 -0.00 -0.51 -1.62 115.31 117.84 1h2i h LEU 139 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 1h2i h LEU 139 Cb 0.68 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 1h2i h LEU 139 CO 0.02 0.40 0.35 -0.08 -0.00 0.00 0.00 178.44 179.12 1h2i h GLU 140 N 0.65 0.65 -0.35 1.13 4.81 -0.98 0.93 114.58 121.43 1h2i h GLU 140 Ca 0.19 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1h2i h GLU 140 Cb -0.05 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1h2i h GLU 140 CO -0.05 0.43 0.08 -0.22 -0.73 0.00 0.00 179.01 178.52 1h2i h LYS 141 N 0.67 0.57 -0.34 1.92 3.64 -0.92 -2.28 116.57 119.83 1h2i h LYS 141 Ca 0.25 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1h2i h LYS 141 Cb 0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1h2i h LYS 141 CO -0.13 0.62 -0.31 0.00 -2.27 0.00 0.00 179.45 177.37 1h2i h ALA 142 N 0.92 0.83 -0.20 5.00 0.00 -0.86 -0.80 119.26 124.14 1h2i h ALA 142 Ca 0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1h2i h ALA 142 Cb 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h2i h ALA 142 CO 0.00 0.64 -0.28 0.00 0.00 0.00 0.00 179.25 179.62 1h2i h ARG 143 N 0.62 0.55 -0.45 0.00 3.08 -0.75 -2.21 114.38 115.21 1h2i h ARG 143 Ca 0.07 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1h2i h ARG 143 Cb 0.82 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1h2i h ARG 143 CO 0.07 0.91 0.05 0.87 -1.07 0.00 0.00 179.97 180.81 1h2i h LYS 144 N 0.22 0.76 -0.13 0.04 1.57 -1.34 -2.82 116.57 114.87 1h2i h LYS 144 Ca 0.02 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1h2i h LYS 144 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1h2i h LYS 144 CO 0.06 0.80 -0.29 0.93 -0.57 0.00 0.00 179.45 180.38 1h2i h GLU 145 N 0.62 0.24 -0.43 3.15 5.08 -1.15 -1.96 114.58 120.13 1h2i h GLU 145 Ca 0.13 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1h2i h GLU 145 Cb 0.42 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1h2i h GLU 145 CO 0.01 0.52 0.23 0.00 -1.00 0.00 0.00 179.01 178.77 1h2i h ALA 146 N 1.49 0.55 0.07 3.43 0.00 -1.24 0.24 119.26 123.80 1h2i h ALA 146 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h2i h ALA 146 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h2i h ALA 146 CO 0.05 0.08 -0.03 0.28 0.00 0.00 0.00 179.25 179.63 1h2i h VAL 147 N 0.56 1.02 -0.82 0.00 2.07 -1.23 0.56 116.25 118.41 1h2i h VAL 147 Ca 0.15 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1h2i h VAL 147 Cb 0.07 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1h2i h VAL 147 CO -0.02 0.08 0.54 0.74 0.02 0.00 0.00 177.57 178.93 1h2i h THR 148 N -0.23 1.21 -0.66 2.57 2.02 -1.18 0.12 112.91 116.76 1h2i h THR 148 Ca -0.01 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1h2i h THR 148 Cb 0.20 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1h2i h THR 148 CO 0.02 0.21 0.26 -0.78 0.37 0.00 0.00 175.52 175.60 1h2i h ASP 149 N 1.11 0.90 -0.67 4.18 -0.00 -0.28 0.59 116.42 122.25 1h2i h ASP 149 Ca 0.30 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.03 57.08 1h2i h ASP 149 Cb -0.12 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.33 38.95 1h2i h ASP 149 CO -0.06 0.83 0.10 1.23 -0.00 0.00 0.00 179.24 181.34 1h2i h GLY 150 N 0.93 1.21 0.96 -0.78 0.00 -0.10 -0.71 103.07 104.57 1h2i h GLY 150 Ca 0.22 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1h2i h GLY 150 CO -0.02 0.75 0.20 -2.00 0.00 0.00 0.00 176.54 175.47 1h2i h LEU 151 N 1.05 0.48 -0.47 3.11 5.85 -0.20 0.20 115.31 125.32 1h2i h LEU 151 Ca 0.20 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1h2i h LEU 151 Cb 0.45 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1h2i h LEU 151 CO 0.01 0.44 0.28 0.11 -0.34 0.00 0.00 178.44 178.94 1h2i h LYS 152 N 0.48 0.65 -0.56 1.25 1.57 -0.66 -1.50 116.57 117.80 1h2i h LYS 152 Ca 0.13 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1h2i h LYS 152 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1h2i h LYS 152 CO -0.02 0.49 0.06 0.00 -0.57 0.00 0.00 179.45 179.41 1h2i h ARG 153 N 0.63 0.94 -0.28 3.15 3.08 -0.84 -2.09 114.38 118.97 1h2i h ARG 153 Ca 0.17 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1h2i h ARG 153 Cb 0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1h2i h ARG 153 CO -0.03 0.92 0.11 0.00 -1.07 0.00 0.00 179.97 179.90 1h2i h ALA 154 N 0.98 0.32 -0.34 0.04 0.00 -0.78 -2.82 119.26 116.66 1h2i h ALA 154 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h2i h ALA 154 Cb 0.46 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1h2i h ALA 154 CO 0.02 -0.29 0.21 -0.07 0.00 0.00 0.00 179.25 179.12 1h2i h LEU 155 N 0.24 0.40 -1.64 0.00 4.07 -1.06 -1.99 115.31 115.32 1h2i h LEU 155 Ca 0.12 -0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.29 1h2i h LEU 155 Cb 0.08 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.66 1h2i h LEU 155 CO -0.11 0.30 0.60 0.03 -1.08 0.00 0.00 178.44 178.18 1h2i h ARG 156 N 0.47 0.28 -0.24 1.13 3.08 -1.11 -0.91 114.38 117.08 1h2i h ARG 156 Ca 0.12 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.23 1h2i h ARG 156 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1h2i h ARG 156 CO -0.02 0.19 0.28 0.77 -1.07 0.00 0.00 179.97 180.11 1h2i h SER 157 N 0.29 0.00 1.36 7.04 0.02 -1.44 -1.65 113.55 119.16 1h2i h SER 157 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1h2i h SER 157 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1h2i h SER 157 CO -0.14 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.29 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.36 -3.49 116.94 114.54 1h2i h PHE 158 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1h2i h PHE 158 Cb 0.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.23 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 0.83 0.37 0.16 -1.45 0.00 -0.62 -4.93 105.19 99.55 1h2i n GLY 159 Ca 0.04 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 0.43 -0.14 1.61 2.35 -1.58 -1.77 115.58 116.48 1h2i h ASN 160 Ca 0.00 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1h2i h ASN 160 Cb 0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1h2i h ASN 160 CO 0.00 0.36 0.24 0.00 -1.65 0.00 0.00 177.43 176.38 1h2i h ALA 161 N 1.09 1.61 -0.58 -0.83 0.00 0.11 0.16 119.26 120.82 1h2i h ALA 161 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h2i h ALA 161 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h2i h ALA 161 CO -0.02 -0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.19 1h2i n LEU 162 N -3.44 4.98 0.00 0.00 7.99 -0.91 -4.92 117.00 120.70 1h2i n LEU 162 Ca 0.01 -2.65 0.00 0.00 -0.01 0.00 0.00 56.01 53.35 1h2i n LEU 162 Cb 0.35 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1h2i n LEU 162 CO 0.23 0.74 0.00 0.61 -1.51 0.00 0.00 177.39 177.45 1h2i n GLY 163 N 0.79 0.88 0.22 -0.72 0.00 0.57 -3.75 105.19 103.18 1h2i n GLY 163 Ca 0.26 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.43 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 0.22 1.61 -0.00 -1.28 -2.22 115.58 113.92 1h2i h ASN 164 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.11 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 0.00 -0.74 0.00 -0.00 0.00 0.00 177.43 176.69 1h2i n ILE 166 N -3.84 0.00 -0.23 0.00 0.00 -0.83 0.71 119.36 115.16 1h2i n ILE 166 Ca -0.05 1.07 0.05 0.00 0.00 0.00 0.00 62.75 63.82 1h2i n ILE 166 Cb 0.71 -1.82 0.13 0.00 0.00 0.00 0.00 39.64 38.67 1h2i n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h2i n LEU 167 N -3.24 2.83 -4.55 9.51 -0.00 -1.26 -4.90 117.00 115.39 1h2i n LEU 167 Ca 0.29 -2.10 -0.43 0.00 -0.00 0.00 0.00 56.01 53.77 1h2i n LEU 167 Cb 1.42 -0.22 -0.04 0.00 -0.00 0.00 0.00 43.42 44.58 1h2i n LEU 167 CO 0.29 0.69 0.84 -0.62 -0.00 0.00 0.00 177.39 178.58 1h2i s ASP 168 N -1.11 6.43 0.51 1.45 3.68 0.22 -4.93 116.67 122.92 1h2i s ASP 168 Ca 0.21 -0.06 0.24 0.00 2.13 0.00 0.00 52.55 55.07 1h2i s ASP 168 Cb 0.12 -2.47 1.35 0.00 -1.45 0.00 0.00 42.92 40.46 1h2i s ASP 168 CO 0.12 -1.23 1.97 0.11 0.13 0.00 0.00 175.17 176.27 1h2i h LYS 169 N 9.29 0.07 0.00 4.34 1.57 -1.91 -0.39 116.57 129.54 1h2i h LYS 169 Ca -0.25 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1h2i h LYS 169 Cb 1.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1h2i h LYS 169 CO 1.09 0.05 -0.47 -0.44 -0.57 0.00 0.00 179.45 179.11 1h2i h ASP 170 N 0.07 0.00 0.02 0.86 3.32 -1.95 -0.75 116.42 117.99 1h2i h ASP 170 Ca 0.29 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1h2i h ASP 170 Cb 1.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.61 1h2i h ASP 170 CO -0.02 0.47 -0.36 0.22 -1.72 0.00 0.00 179.24 177.83 1h2i h TYR 171 N 0.00 0.33 -0.42 4.55 3.20 -1.45 -2.59 116.97 120.59 1h2i h TYR 171 Ca -0.00 -0.19 0.03 0.00 3.14 0.00 0.00 58.73 61.70 1h2i h TYR 171 Cb 1.05 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 1h2i h TYR 171 CO 0.00 1.03 0.23 -0.07 -1.64 0.00 0.00 178.16 177.71 1h2i h LEU 172 N -0.47 0.35 0.00 2.82 3.38 -1.18 -1.31 115.31 118.90 1h2i h LEU 172 Ca -0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1h2i h LEU 172 Cb 1.15 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1h2i h LEU 172 CO 0.07 0.25 -0.25 -0.09 0.09 0.00 0.00 178.44 178.51 1h2i h ARG 173 N 0.46 -0.37 0.00 1.13 2.43 -1.18 -0.25 114.38 116.60 1h2i h ARG 173 Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1h2i h ARG 173 Cb 0.05 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1h2i h ARG 173 CO -0.11 -0.25 0.00 -1.13 -1.51 0.00 0.00 179.97 176.98 1h2i n SER 174 N -5.37 0.00 0.09 -3.80 3.41 -0.98 -1.78 113.62 105.21 1h2i n SER 174 Ca -0.05 0.40 -0.19 0.00 -0.26 0.00 0.00 58.87 58.77 1h2i n SER 174 Cb 0.28 -0.45 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 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 0.51 -1.44 1.04 3.38 0.12 -3.28 115.31 115.64 1h2i h LEU 175 Ca 0.00 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 1h2i h LEU 175 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1h2i h LEU 175 CO 0.00 1.51 -0.03 0.78 0.09 0.00 0.00 178.44 180.79 1h2i h ASN 176 N 0.09 0.31 0.00 -0.43 2.35 -0.55 -1.63 115.58 115.72 1h2i h ASN 176 Ca -0.22 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1h2i h ASN 176 Cb 2.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.33 1h2i h ASN 176 CO 0.20 0.39 0.00 0.29 -1.65 0.00 0.00 177.43 176.66 1h2i n LYS 177 N -4.33 0.89 -4.14 0.81 5.02 -1.16 -4.81 118.16 110.44 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 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.16 3.71 0.28 -0.35 1.43 -0.62 -5.08 118.68 117.90 1h2i s LEU 178 Ca 0.00 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1h2i s LEU 178 Cb 0.00 -2.27 -0.13 0.00 0.03 0.00 0.00 46.19 43.82 1h2i s LEU 178 CO 0.00 -0.01 1.27 -2.65 0.23 0.00 0.00 176.35 175.20 1h2i n PRO 179 N -0.94 1.86 -1.64 1.29 -0.02 -1.26 -4.92 135.00 129.38 1h2i n PRO 179 Ca -0.08 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 1h2i n PRO 179 Cb 0.57 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1h2i n PRO 179 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1h2i n ARG 180 N 1.28 1.37 -4.15 -0.52 0.63 -1.26 -4.95 116.66 109.06 1h2i n ARG 180 Ca 0.09 0.50 -0.22 0.00 -0.92 0.00 0.00 57.85 57.30 1h2i n ARG 180 Cb 0.32 -2.18 -0.17 0.00 0.45 0.00 0.00 32.46 30.89 1h2i n ARG 180 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1h2i s GLN 181 N -2.30 1.07 0.17 -0.14 -2.07 -1.26 -5.12 119.66 110.00 1h2i s GLN 181 Ca 0.66 -0.16 -0.30 0.00 -1.82 0.00 0.00 55.36 53.75 1h2i s GLN 181 Cb -0.50 -1.08 -0.08 0.00 -1.09 0.00 0.00 33.01 30.26 1h2i s GLN 181 CO 0.54 -0.12 1.32 -0.48 -1.32 0.00 0.00 175.29 175.23 1h2i s LEU 182 N 1.13 4.40 0.40 2.60 2.34 -1.26 -4.97 118.68 123.33 1h2i s LEU 182 Ca -0.07 2.36 -0.27 0.00 0.06 0.00 0.00 54.13 56.20 1h2i s LEU 182 Cb -0.14 -3.60 -0.10 0.00 -0.56 0.00 0.00 46.19 41.78 1h2i s LEU 182 CO -0.01 -0.55 1.44 -0.81 -1.06 0.00 0.00 176.35 175.36 1h2i n PRO 183 N 3.02 2.46 -2.96 1.48 -0.04 -1.26 -4.93 135.00 132.77 1h2i n PRO 183 Ca 0.08 0.87 -0.35 0.00 -0.04 0.00 0.00 63.50 64.05 1h2i n PRO 183 Cb 0.43 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.21 1h2i n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1h2i s LEU 184 N -2.12 4.24 0.27 1.53 1.43 -1.26 -5.06 118.68 117.72 1h2i s LEU 184 Ca 0.56 1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 1h2i s LEU 184 Cb -0.48 -3.94 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 1h2i s LEU 184 CO 0.62 -0.09 0.98 -1.61 0.23 0.00 0.00 176.35 176.47 1h2i s GLU 185 N -2.33 4.72 -0.18 1.70 0.41 -1.26 -5.04 118.70 116.71 1h2i s GLU 185 Ca 0.50 1.53 -0.10 0.00 -0.41 0.00 0.00 54.97 56.49 1h2i s GLU 185 Cb -0.15 -3.13 -0.05 0.00 -1.78 0.00 0.00 34.13 29.02 1h2i s GLU 185 CO 0.20 0.37 0.16 0.08 -0.49 0.00 0.00 175.26 175.58 1h2i s VAL 186 N -1.28 5.40 -0.70 2.63 1.01 -1.26 -5.04 120.40 121.15 1h2i s VAL 186 Ca 0.44 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 1h2i s VAL 186 Cb -0.26 -3.50 0.09 0.00 0.00 0.00 0.00 36.38 32.72 1h2i s VAL 186 CO 0.32 0.45 0.94 -0.62 0.00 0.00 0.00 175.10 176.19 1h2i s ASP 187 N 0.25 6.28 0.00 3.32 3.68 -1.26 -4.88 116.67 124.05 1h2i s ASP 187 Ca 0.10 -1.34 0.04 0.00 2.13 0.00 0.00 52.55 53.48 1h2i s ASP 187 Cb -0.11 -2.39 0.25 0.00 -1.45 0.00 0.00 42.92 39.22 1h2i s ASP 187 CO -0.00 -1.28 0.79 0.18 0.13 0.00 0.00 175.17 174.99 1h2i n LEU 188 N 7.10 0.00 -0.13 -1.34 4.77 -1.26 -3.70 117.00 122.44 1h2i n LEU 188 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1h2i n LEU 188 Cb 0.45 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1h2i n LEU 188 CO 0.60 0.00 1.03 0.74 -1.33 0.00 0.00 177.39 178.42 1h2i h THR 189 N 0.00 1.07 -0.85 -5.08 2.02 -2.04 -2.79 112.91 105.23 1h2i h THR 189 Ca 0.00 -0.17 -0.54 0.00 0.77 0.00 0.00 66.41 66.47 1h2i h THR 189 Cb 0.00 0.52 -0.29 0.00 -1.74 0.00 0.00 68.15 66.64 1h2i h THR 189 CO 0.00 0.09 0.38 0.29 0.37 0.00 0.00 175.52 176.65 1h2i n LYS 190 N -4.84 2.59 -2.73 6.66 5.02 -1.24 -4.99 118.16 118.64 1h2i n LYS 190 Ca 0.01 -3.36 -0.35 0.00 -2.02 0.00 0.00 58.31 52.59 1h2i n LYS 190 Cb 0.04 -2.18 -0.06 0.00 -0.02 0.00 0.00 35.03 32.81 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i s ALA 191 N -3.57 3.11 0.23 7.82 0.00 -1.06 -4.97 121.76 123.32 1h2i s ALA 191 Ca 0.57 0.53 -0.32 0.00 0.00 0.00 0.00 51.96 52.75 1h2i s ALA 191 Cb 0.47 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 20.27 1h2i s ALA 191 CO 0.03 0.05 1.67 1.17 0.00 0.00 0.00 175.76 178.67 1h2i n LYS 192 N -0.03 2.69 0.00 0.00 4.81 -1.26 -4.87 118.16 119.50 1h2i n LYS 192 Ca 0.05 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1h2i n LYS 192 Cb 0.51 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.78 1h2i n LYS 192 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h2i n ARG 193 N 3.36 1.13 -3.78 1.64 1.74 -1.26 -5.06 116.66 114.42 1h2i n ARG 193 Ca 0.14 -0.38 -0.10 0.00 -0.77 0.00 0.00 57.85 56.75 1h2i n ARG 193 Cb 0.35 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 30.87 1h2i n ARG 193 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1h2i s GLN 194 N -0.28 1.22 0.01 5.56 -2.07 -1.26 -5.11 119.66 117.73 1h2i s GLN 194 Ca 0.00 -0.92 -0.22 0.00 -1.82 0.00 0.00 55.36 52.41 1h2i s GLN 194 Cb 0.00 0.46 -0.18 0.00 -1.09 0.00 0.00 33.01 32.20 1h2i s GLN 194 CO 0.00 -0.49 1.24 -0.44 -1.32 0.00 0.00 175.29 174.29 1h2i h ASP 195 N 2.36 0.33 -2.15 12.60 3.45 -2.04 -3.45 116.42 127.51 1h2i h ASP 195 Ca -0.31 -0.58 -0.63 0.00 0.43 0.00 0.00 57.03 55.95 1h2i h ASP 195 Cb 1.25 -0.10 0.08 0.00 -0.56 0.00 0.00 39.33 40.00 1h2i h ASP 195 CO 0.44 0.85 0.43 -0.11 -1.57 0.00 0.00 179.24 179.27 1h2i n LEU 196 N -4.53 2.12 -3.82 1.55 -0.00 -1.26 -4.93 117.00 106.13 1h2i n LEU 196 Ca -0.08 1.14 -0.28 0.00 -0.00 0.00 0.00 56.01 56.79 1h2i n LEU 196 Cb 0.42 -1.29 -0.12 0.00 -0.00 0.00 0.00 43.42 42.43 1h2i n LEU 196 CO 0.40 -0.96 -0.10 -1.61 -0.00 0.00 0.00 177.39 175.12 1h2i s GLU 197 N -0.20 2.13 0.06 1.96 0.41 -1.26 -5.03 118.70 116.77 1h2i s GLU 197 Ca 0.73 -3.03 -0.12 0.00 -0.41 0.00 0.00 54.97 52.14 1h2i s GLU 197 Cb -0.79 -3.06 -0.03 0.00 -1.78 0.00 0.00 34.13 28.47 1h2i s GLU 197 CO 0.50 -1.28 1.20 -1.35 -0.49 0.00 0.00 175.26 173.84 1h2i h PRO 198 N 5.60 -0.00 -0.75 0.39 0.11 -1.99 0.22 132.00 135.57 1h2i h PRO 198 Ca 0.13 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.37 1h2i h PRO 198 Cb 0.80 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.82 1h2i h PRO 198 CO 0.65 -0.00 0.35 1.03 -0.21 0.00 0.00 178.00 179.83 1h2i h SER 199 N -0.00 0.41 -0.66 -2.05 0.87 -1.99 0.17 113.55 110.31 1h2i h SER 199 Ca 0.06 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1h2i h SER 199 Cb 0.16 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1h2i h SER 199 CO -0.35 0.20 0.23 0.58 -0.53 0.00 0.00 176.83 176.96 1h2i h VAL 200 N 0.55 1.25 -0.22 2.23 2.07 -1.67 -1.19 116.25 119.27 1h2i h VAL 200 Ca 0.39 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1h2i h VAL 200 Cb 0.51 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1h2i h VAL 200 CO -0.33 0.32 0.06 -0.08 0.02 0.00 0.00 177.57 177.55 1h2i h GLU 201 N 0.94 0.34 -0.18 1.57 4.57 0.47 -1.27 114.58 121.03 1h2i h GLU 201 Ca 0.21 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.37 1h2i h GLU 201 Cb 0.26 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.73 1h2i h GLU 201 CO -0.01 0.45 -0.38 1.49 -1.18 0.00 0.00 179.01 179.38 1h2i h GLU 202 N 0.17 -0.41 -1.00 1.92 4.81 -0.39 -0.75 114.58 118.94 1h2i h GLU 202 Ca 0.07 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1h2i h GLU 202 Cb 0.25 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 1h2i h GLU 202 CO -0.00 -0.27 0.64 0.00 -0.73 0.00 0.00 179.01 178.65 1h2i h ALA 203 N 0.32 1.49 -0.18 2.92 0.00 -1.06 -1.96 119.26 120.79 1h2i h ALA 203 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 203 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1h2i h ALA 203 CO -0.41 0.30 -0.30 -0.09 0.00 0.00 0.00 179.25 178.75 1h2i h ARG 204 N 1.05 0.35 -0.06 0.00 2.43 -0.17 -1.14 114.38 116.85 1h2i h ARG 204 Ca 0.47 -0.14 -0.21 0.00 -0.81 0.00 0.00 59.98 59.29 1h2i h ARG 204 Cb 0.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1h2i h ARG 204 CO -0.23 0.62 -0.84 -0.92 -1.51 0.00 0.00 179.97 177.09 1h2i h TYR 205 N 0.31 0.72 0.00 2.20 3.20 -0.47 -3.07 116.97 119.86 1h2i h TYR 205 Ca 0.04 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1h2i h TYR 205 Cb 0.68 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1h2i h TYR 205 CO 0.02 1.15 0.00 -0.91 -1.64 0.00 0.00 178.16 176.78 1h2i h ASN 206 N 0.32 0.00 0.00 -2.11 2.35 -1.15 -3.17 115.58 111.83 1h2i h ASN 206 Ca -0.06 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 1h2i h ASN 206 Cb 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.83 1h2i h ASN 206 CO 0.15 0.00 -0.72 0.77 -1.65 0.00 0.00 177.43 175.98 1h2i h SER 207 N 0.00 0.75 0.00 5.81 4.64 -1.11 -3.06 113.55 120.58 1h2i h SER 207 Ca 0.00 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1h2i h SER 207 Cb 0.70 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1h2i h SER 207 CO 0.00 1.25 0.12 0.00 -0.87 0.00 0.00 176.83 177.33