#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 -2.53 2.83 0.00 0.00 7.35 -1.26 -1.64 117.46 122.20 1h2i n PHE 26 Ca 0.05 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 1h2i n PHE 26 Cb 0.16 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.41 1h2i n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h2i n GLY 27 N 1.99 1.36 0.00 7.13 0.00 -0.09 -4.84 105.19 110.73 1h2i n GLY 27 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.62 -1.72 1.61 6.02 -0.65 -3.95 117.38 117.31 1h2i n GLN 28 Ca 0.00 -0.89 -0.30 0.00 -0.01 0.00 0.00 57.00 55.80 1h2i n GLN 28 Cb 0.00 -0.98 0.07 0.00 1.02 0.00 0.00 30.24 30.34 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 -5.26 0.97 0.43 0.00 0.74 -1.26 -4.21 119.66 111.07 1h2i s GLN 30 Ca 0.59 -0.19 -0.25 0.00 0.05 0.00 0.00 55.36 55.56 1h2i s GLN 30 Cb -0.13 -0.91 -0.08 0.00 1.10 0.00 0.00 33.01 32.99 1h2i s GLN 30 CO 0.53 -0.02 1.27 0.71 -0.55 0.00 0.00 175.29 177.23 1h2i s TYR 31 N 0.68 2.80 0.57 1.67 1.51 -1.26 -4.99 117.35 118.32 1h2i s TYR 31 Ca -0.10 1.44 -0.13 0.00 -1.01 0.00 0.00 57.07 57.27 1h2i s TYR 31 Cb -0.13 -3.60 -0.06 0.00 -0.11 0.00 0.00 41.96 38.06 1h2i s TYR 31 CO 0.01 -1.99 1.00 0.95 -1.11 0.00 0.00 175.55 174.40 1h2i s THR 32 N -1.33 4.64 0.26 -0.71 -4.23 -1.26 -4.83 115.64 108.18 1h2i s THR 32 Ca 0.60 1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 62.09 1h2i s THR 32 Cb -0.36 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 69.92 1h2i s THR 32 CO 0.45 -0.93 1.80 0.00 -0.54 0.00 0.00 174.62 175.40 1h2i h ALA 33 N 0.25 1.32 -0.03 3.99 0.00 -1.99 0.35 119.26 123.15 1h2i h ALA 33 Ca -0.45 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1h2i h ALA 33 Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1h2i h ALA 33 CO 0.62 0.07 0.01 1.49 0.00 0.00 0.00 179.25 181.44 1h2i h GLU 34 N 0.80 0.04 -0.53 0.00 4.81 -1.99 -0.13 114.58 117.57 1h2i h GLU 34 Ca 0.45 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.58 1h2i h GLU 34 Cb 0.50 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1h2i h GLU 34 CO -0.29 0.16 -0.03 1.49 -0.73 0.00 0.00 179.01 179.61 1h2i h GLU 35 N -0.09 0.95 -0.10 1.92 4.81 -1.83 -1.62 114.58 118.63 1h2i h GLU 35 Ca 0.01 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1h2i h GLU 35 Cb 0.13 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1h2i h GLU 35 CO -0.00 0.98 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.19 1h2i h TYR 36 N 0.82 -0.39 -0.59 0.92 3.20 -0.78 -1.05 116.97 119.10 1h2i h TYR 36 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1h2i h TYR 36 Cb 0.57 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1h2i h TYR 36 CO 0.04 -0.22 0.37 0.37 -1.64 0.00 0.00 178.16 177.08 1h2i h GLN 37 N -0.20 0.79 -0.54 1.82 4.15 -0.85 0.03 115.11 120.32 1h2i h GLN 37 Ca 0.09 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1h2i h GLN 37 Cb 0.33 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1h2i h GLN 37 CO -0.22 0.55 0.27 0.00 -1.93 0.00 0.00 178.83 177.49 1h2i h ALA 38 N 1.20 0.69 -0.31 3.38 0.00 -0.93 -2.13 119.26 121.16 1h2i h ALA 38 Ca 0.21 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 38 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1h2i h ALA 38 CO -0.04 0.24 -0.10 0.82 0.00 0.00 0.00 179.25 180.17 1h2i h ILE 39 N 0.72 1.28 -0.63 0.00 2.04 -0.99 0.16 117.51 120.09 1h2i h ILE 39 Ca 0.19 -1.16 0.12 0.00 1.00 0.00 0.00 64.86 65.01 1h2i h ILE 39 Cb 0.09 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 1h2i h ILE 39 CO -0.03 0.37 0.17 1.56 0.00 0.00 0.00 178.15 180.22 1h2i h GLN 40 N 0.37 0.29 0.02 2.37 1.08 -0.82 0.29 115.11 118.73 1h2i h GLN 40 Ca 0.07 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1h2i h GLN 40 Cb 0.60 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1h2i h GLN 40 CO 0.03 0.19 -0.01 0.87 -0.95 0.00 0.00 178.83 178.97 1h2i h LYS 41 N 0.30 -0.03 -0.70 1.46 1.57 -1.21 -3.19 116.57 114.76 1h2i h LYS 41 Ca 0.34 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.18 1h2i h LYS 41 Cb 0.50 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1h2i h LYS 41 CO -0.40 0.31 0.46 0.00 -0.57 0.00 0.00 179.45 179.26 1h2i h ALA 42 N 0.59 1.72 0.00 3.86 0.00 -0.44 -1.91 119.26 123.07 1h2i h ALA 42 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1h2i h ALA 42 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1h2i h ALA 42 CO 0.01 0.17 -0.12 -0.07 0.00 0.00 0.00 179.25 179.24 1h2i h LEU 43 N 0.73 0.00 -1.34 0.00 3.38 -0.94 -2.73 115.31 114.41 1h2i h LEU 43 Ca 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 1h2i h LEU 43 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1h2i h LEU 43 CO -0.10 0.12 -0.33 0.03 0.09 0.00 0.00 178.44 178.25 1h2i h ARG 44 N 0.00 0.00 -6.78 1.13 3.08 -1.37 0.12 114.38 110.56 1h2i h ARG 44 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1h2i h ARG 44 Cb 0.29 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.45 1h2i h ARG 44 CO 0.02 0.33 0.48 1.04 -1.07 0.00 0.00 179.97 180.77 1h2i n GLN 45 N -4.09 2.00 -3.00 0.04 6.02 -1.03 -4.57 117.38 112.74 1h2i n GLN 45 Ca -0.02 0.71 -0.28 0.00 -0.01 0.00 0.00 57.00 57.40 1h2i n GLN 45 Cb 0.38 -2.34 -0.02 0.00 1.02 0.00 0.00 30.24 29.28 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 -2.03 3.64 0.02 -1.09 0.52 -1.26 -1.25 118.95 117.49 1h2i s ARG 46 Ca 0.58 0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 55.89 1h2i s ARG 46 Cb -0.54 -2.50 -0.05 0.00 0.52 0.00 0.00 34.95 32.39 1h2i s ARG 46 CO 0.60 0.02 0.27 -0.48 0.02 0.00 0.00 175.30 175.73 1h2i s LEU 47 N -4.05 4.36 1.12 2.53 2.34 -1.26 -4.93 118.68 118.80 1h2i s LEU 47 Ca 0.47 0.55 -0.15 0.00 0.06 0.00 0.00 54.13 55.06 1h2i s LEU 47 Cb -0.10 -2.72 0.25 0.00 -0.56 0.00 0.00 46.19 43.06 1h2i s LEU 47 CO 0.35 0.24 1.06 -0.83 -1.06 0.00 0.00 176.35 176.11 1h2i s GLY 48 N -1.77 1.54 0.57 -3.48 0.00 -1.26 -4.90 107.32 98.03 1h2i s GLY 48 Ca 0.28 -0.47 0.26 0.00 0.00 0.00 0.00 44.72 44.80 1h2i s GLY 48 CO 0.17 0.27 2.10 -2.55 0.00 0.00 0.00 173.10 173.08 1h2i h PRO 49 N -2.37 0.00 0.00 2.90 0.11 -1.96 -1.93 132.00 128.75 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 0.50 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.44 1h2i n GLU 50 N -4.05 0.01 -0.10 1.05 0.00 -1.26 -2.48 120.64 113.82 1h2i n GLU 50 Ca 0.02 0.39 -0.10 0.00 0.00 0.00 0.00 57.16 57.47 1h2i n GLU 50 Cb 0.33 -1.54 -0.16 0.00 0.00 0.00 0.00 31.44 30.08 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 -1.56 0.06 -2.92 -1.84 4.02 -0.73 -4.97 117.16 109.21 1h2i n TYR 51 Ca 0.02 0.02 -0.40 0.00 -0.01 0.00 0.00 57.90 57.52 1h2i n TYR 51 Cb 0.08 -1.01 -0.04 0.00 -0.02 0.00 0.00 39.34 38.35 1h2i n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1h2i s ILE 52 N -2.50 4.88 0.40 -0.72 -1.09 -1.03 -4.43 121.20 116.70 1h2i s ILE 52 Ca -0.11 1.70 0.04 0.00 -2.23 0.00 0.00 60.65 60.04 1h2i s ILE 52 Cb 0.06 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1h2i s ILE 52 CO 0.82 0.26 0.08 -0.94 -1.23 0.00 0.00 174.94 173.93 1h2i s SER 53 N 0.56 2.93 0.14 3.58 1.04 -0.10 -4.97 113.70 116.88 1h2i s SER 53 Ca 0.42 -1.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 1h2i s SER 53 Cb -0.20 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1h2i s SER 53 CO 0.23 -0.78 0.32 -0.94 0.98 0.00 0.00 173.24 173.05 1h2i s SER 54 N -3.62 -0.05 0.22 7.02 1.04 -1.26 -1.26 113.70 115.79 1h2i s SER 54 Ca 0.26 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1h2i s SER 54 Cb 0.05 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1h2i s SER 54 CO 0.13 -0.86 0.19 0.00 0.98 0.00 0.00 173.24 173.68 1h2i s ARG 55 N -3.88 1.31 -0.29 4.02 1.70 -0.39 -4.94 118.95 116.47 1h2i s ARG 55 Ca 0.09 -1.63 -0.15 0.00 -0.47 0.00 0.00 55.73 53.56 1h2i s ARG 55 Cb 0.03 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1h2i s ARG 55 CO -0.07 -0.45 0.39 -1.64 -1.08 0.00 0.00 175.30 172.46 1h2i s MET 56 N -4.05 3.88 0.83 3.89 -1.94 -1.26 -1.31 119.30 119.34 1h2i s MET 56 Ca 0.37 -0.07 -0.12 0.00 -1.71 0.00 0.00 55.69 54.17 1h2i s MET 56 Cb 0.06 -3.70 0.09 0.00 2.01 0.00 0.00 34.83 33.28 1h2i s MET 56 CO 0.13 -0.38 1.11 0.00 -0.01 0.00 0.00 175.02 175.87 1h2i s ALA 57 N 2.11 2.07 0.34 3.03 0.00 0.44 -4.88 121.76 124.87 1h2i s ALA 57 Ca 0.15 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1h2i s ALA 57 Cb -0.16 -3.10 0.65 0.00 0.00 0.00 0.00 23.12 20.52 1h2i s ALA 57 CO 0.11 -1.92 1.97 0.78 0.00 0.00 0.00 175.76 176.70 1h2i h GLY 58 N -1.23 1.01 -1.01 0.00 0.00 -1.98 -1.33 103.07 98.53 1h2i h GLY 58 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1h2i h GLY 58 CO 0.60 0.28 0.00 0.61 0.00 0.00 0.00 176.54 178.03 1h2i n GLY 59 N -1.43 0.89 3.48 4.60 0.00 -1.26 -4.74 105.19 106.73 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 0.21 -0.53 3.05 -0.02 0.00 -0.50 -4.99 105.19 102.41 1h2i n GLY 60 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 1.09 0.34 1.61 -2.07 -1.23 -4.90 119.66 108.32 1h2i s GLN 61 Ca 0.51 -0.39 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 1h2i s GLN 61 Cb -0.24 -1.01 -0.12 0.00 -1.09 0.00 0.00 33.01 30.56 1h2i s GLN 61 CO 0.63 0.18 1.47 1.17 -1.32 0.00 0.00 175.29 177.43 1h2i n LYS 62 N 3.09 2.54 -3.94 9.60 4.81 -1.26 -0.42 118.16 132.58 1h2i n LYS 62 Ca -0.17 0.89 -0.24 0.00 -0.87 0.00 0.00 58.31 57.93 1h2i n LYS 62 Cb 0.55 -2.60 -0.17 0.00 0.02 0.00 0.00 35.03 32.82 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 -0.80 0.70 0.09 3.15 1.01 -0.43 -4.85 120.40 119.29 1h2i s VAL 63 Ca 0.57 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 1h2i s VAL 63 Cb -0.51 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 1h2i s VAL 63 CO 0.59 0.30 0.43 0.00 0.00 0.00 0.00 175.10 176.43 1h2i s TYR 65 N -1.41 -0.29 -0.11 0.00 -0.85 -0.39 -4.99 117.35 109.31 1h2i s TYR 65 Ca 0.34 -0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.82 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 0.18 -1.01 -0.04 0.42 -1.52 0.00 0.00 175.55 173.58 1h2i s ILE 66 N -3.70 3.89 0.29 -3.49 1.01 -1.26 -0.93 121.20 117.00 1h2i s ILE 66 Ca 0.08 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1h2i s ILE 66 Cb -0.03 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.68 1h2i s ILE 66 CO -0.01 0.55 1.17 -1.61 0.00 0.00 0.00 174.94 175.04 1h2i s GLU 67 N -0.23 4.54 0.27 2.79 2.02 -1.26 -4.90 118.70 121.93 1h2i s GLU 67 Ca 0.04 1.93 -0.00 0.00 0.02 0.00 0.00 54.97 56.96 1h2i s GLU 67 Cb -0.13 -3.16 0.61 0.00 0.10 0.00 0.00 34.13 31.55 1h2i s GLU 67 CO 0.02 0.07 1.68 0.78 0.02 0.00 0.00 175.26 177.83 1h2i h GLY 68 N 3.84 1.26 1.89 -1.39 0.00 -1.98 -0.05 103.07 106.63 1h2i h GLY 68 Ca -0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1h2i h GLY 68 CO 0.67 -0.27 0.00 1.12 0.00 0.00 0.00 176.54 178.07 1h2i h HIS 69 N 0.29 0.14 -0.29 5.60 2.07 -2.00 -0.87 115.15 120.10 1h2i h HIS 69 Ca 0.50 -0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.85 1h2i h HIS 69 Cb 0.92 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 30.85 1h2i h HIS 69 CO -0.23 0.16 -0.48 0.00 -3.07 0.00 0.00 177.93 174.31 1h2i h ARG 70 N 0.15 0.79 -0.43 5.12 2.47 -1.39 -2.43 114.38 118.65 1h2i h ARG 70 Ca 0.04 -0.46 -0.04 0.00 -1.26 0.00 0.00 59.98 58.26 1h2i h ARG 70 Cb 0.11 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1h2i h ARG 70 CO 0.00 1.09 0.12 0.28 0.56 0.00 0.00 179.97 182.02 1h2i h VAL 71 N 0.62 1.23 -0.65 2.04 2.07 -0.87 -0.55 116.25 120.13 1h2i h VAL 71 Ca 0.03 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1h2i h VAL 71 Cb 1.06 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1h2i h VAL 71 CO 0.10 0.27 0.39 0.40 0.02 0.00 0.00 177.57 178.76 1h2i h ILE 72 N 0.56 1.05 0.00 4.57 2.04 -1.13 0.28 117.51 124.88 1h2i h ILE 72 Ca 0.14 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1h2i h ILE 72 Cb 0.29 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1h2i h ILE 72 CO -0.00 0.14 -0.53 0.78 0.00 0.00 0.00 178.15 178.54 1h2i h ASN 73 N 0.76 0.00 -0.43 1.72 2.35 -1.24 0.95 115.58 119.70 1h2i h ASN 73 Ca 0.27 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 1h2i h ASN 73 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1h2i h ASN 73 CO -0.13 0.53 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.05 1h2i h LEU 74 N 0.00 0.79 -0.20 1.61 3.38 -0.19 -0.87 115.31 119.83 1h2i h LEU 74 Ca -0.01 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1h2i h LEU 74 Cb 1.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1h2i h LEU 74 CO 0.07 0.94 0.02 0.00 0.09 0.00 0.00 178.44 179.56 1h2i h ALA 75 N 0.87 0.26 -0.85 1.53 0.00 -0.67 0.12 119.26 120.53 1h2i h ALA 75 Ca 0.11 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1h2i h ALA 75 Cb 0.58 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1h2i h ALA 75 CO 0.03 -0.05 0.55 -0.91 0.00 0.00 0.00 179.25 178.88 1h2i h ASN 76 N 0.11 0.94 0.06 0.00 2.35 -0.67 0.37 115.58 118.74 1h2i h ASN 76 Ca 0.06 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1h2i h ASN 76 Cb 0.34 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1h2i h ASN 76 CO 0.01 0.66 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.51 1h2i h GLU 77 N 1.10 0.54 -0.16 0.81 4.39 -1.04 0.36 114.58 120.58 1h2i h GLU 77 Ca 0.33 -0.37 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1h2i h GLU 77 Cb -0.05 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1h2i h GLU 77 CO -0.10 0.98 -0.34 1.98 -1.16 0.00 0.00 179.01 180.38 1h2i h MET 78 N 0.40 0.52 0.00 2.33 4.05 -0.31 -3.37 114.93 118.55 1h2i h MET 78 Ca -0.00 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1h2i h MET 78 Cb 1.16 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1h2i h MET 78 CO 0.11 0.95 -0.50 1.19 0.23 0.00 0.00 176.91 178.89 1h2i n PHE 79 N -4.34 0.00 0.00 1.39 3.72 0.08 -4.97 117.46 113.34 1h2i n PHE 79 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1h2i n PHE 79 Cb 0.50 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.26 1.39 0.33 1.37 0.00 0.13 -3.17 105.19 106.50 1h2i n GLY 80 Ca 0.02 -1.64 0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.30 1.61 -0.00 -1.89 -0.07 116.97 116.32 1h2i h TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h2i h TYR 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1h2i h TYR 81 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1h2i n ASN 82 N -3.43 3.80 -0.00 0.10 2.04 -1.26 -4.54 115.26 111.97 1h2i n ASN 82 Ca -0.01 -2.81 0.09 0.00 -0.44 0.00 0.00 54.58 51.41 1h2i n ASN 82 Cb 0.23 -0.49 -0.11 0.00 -2.53 0.00 0.00 39.78 36.88 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 -0.24 -0.77 3.13 4.83 0.00 -0.04 -4.74 105.19 107.35 1h2i n GLY 83 Ca 0.20 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -2.83 0.45 0.20 1.61 1.48 -1.25 -1.35 118.94 117.25 1h2i s TRP 84 Ca 0.05 -0.95 -0.14 0.00 -1.06 0.00 0.00 56.10 54.00 1h2i s TRP 84 Cb 0.14 -0.31 0.01 0.00 -1.16 0.00 0.00 33.47 32.15 1h2i s TRP 84 CO 0.77 -0.44 0.46 0.00 -4.06 0.00 0.00 176.95 173.68 1h2i s ALA 85 N -3.92 -0.56 -0.05 2.67 0.00 0.79 -4.96 121.76 115.73 1h2i s ALA 85 Ca 0.08 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 1h2i s ALA 85 Cb 0.07 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.13 1h2i s ALA 85 CO -0.09 -0.79 0.46 -3.38 0.00 0.00 0.00 175.76 171.96 1h2i s HIS 86 N -3.93 -0.40 0.09 0.00 -3.43 -1.26 -0.37 115.29 105.99 1h2i s HIS 86 Ca 0.14 0.72 0.01 0.00 -0.80 0.00 0.00 55.06 55.14 1h2i s HIS 86 Cb -0.00 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1h2i s HIS 86 CO 0.01 -0.44 -0.06 -1.54 -2.00 0.00 0.00 174.74 170.71 1h2i s SER 87 N -1.02 1.03 -0.51 7.38 1.04 -0.35 -4.98 113.70 116.29 1h2i s SER 87 Ca -0.10 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.16 1h2i s SER 87 Cb -0.03 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.28 1h2i s SER 87 CO 0.06 -0.49 0.50 -0.63 0.98 0.00 0.00 173.24 173.66 1h2i s ILE 88 N -3.65 5.10 0.40 -1.02 1.01 -1.26 -1.28 121.20 120.50 1h2i s ILE 88 Ca 0.11 -1.02 0.13 0.00 0.00 0.00 0.00 60.65 59.87 1h2i s ILE 88 Cb 0.06 -4.25 0.14 0.00 0.01 0.00 0.00 42.46 38.41 1h2i s ILE 88 CO -0.06 -0.75 1.91 0.71 0.00 0.00 0.00 174.94 176.75 1h2i h THR 89 N 5.83 1.20 -1.39 2.92 1.35 -0.77 -3.45 112.91 118.60 1h2i h THR 89 Ca -0.29 -0.94 0.12 0.00 -0.55 0.00 0.00 66.41 64.76 1h2i h THR 89 Cb 1.10 1.48 -0.27 0.00 -1.73 0.00 0.00 68.15 68.73 1h2i h THR 89 CO 0.96 0.27 0.65 -1.58 -0.25 0.00 0.00 175.52 175.57 1h2i s GLN 90 N -4.45 0.36 -0.08 4.72 0.74 -1.19 -4.99 119.66 114.76 1h2i s GLN 90 Ca -0.04 0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.66 1h2i s GLN 90 Cb 0.15 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.45 1h2i s GLN 90 CO 0.72 -0.07 -0.14 -1.14 -0.55 0.00 0.00 175.29 174.10 1h2i s GLN 91 N -0.35 1.93 -0.08 1.67 0.74 -1.26 0.18 119.66 122.49 1h2i s GLN 91 Ca 0.04 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 54.98 1h2i s GLN 91 Cb -0.03 -1.61 0.02 0.00 1.10 0.00 0.00 33.01 32.49 1h2i s GLN 91 CO -0.07 0.00 -0.11 1.21 -0.55 0.00 0.00 175.29 175.77 1h2i s ASN 92 N 0.77 1.88 -0.37 6.67 3.84 -0.13 -5.00 114.94 122.60 1h2i s ASN 92 Ca -0.12 -0.30 -0.27 0.00 0.21 0.00 0.00 52.86 52.37 1h2i s ASN 92 Cb -0.16 -0.84 0.02 0.00 -0.55 0.00 0.00 41.25 39.72 1h2i s ASN 92 CO 0.02 0.00 1.00 -0.69 -2.79 0.00 0.00 177.10 174.64 1h2i s VAL 93 N 0.89 4.51 0.18 -5.21 1.01 -1.26 -1.25 120.40 119.27 1h2i s VAL 93 Ca -0.10 1.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 1h2i s VAL 93 Cb -0.15 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1h2i s VAL 93 CO 0.01 -0.59 1.47 0.44 0.00 0.00 0.00 175.10 176.43 1h2i h ASP 94 N 8.47 0.62 -4.08 3.32 3.45 -0.77 -3.48 116.42 123.95 1h2i h ASP 94 Ca -0.22 -0.35 0.23 0.00 0.43 0.00 0.00 57.03 57.11 1h2i h ASP 94 Cb 1.07 -0.18 -0.20 0.00 -0.56 0.00 0.00 39.33 39.46 1h2i h ASP 94 CO 1.02 1.08 0.79 0.72 -1.57 0.00 0.00 179.24 181.28 1h2i s PHE 95 N -3.90 -0.15 -0.30 4.55 -0.12 -1.18 -4.97 117.98 111.91 1h2i s PHE 95 Ca -0.07 0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1h2i s PHE 95 Cb 0.11 0.51 0.10 0.00 -0.63 0.00 0.00 43.02 43.11 1h2i s PHE 95 CO 0.85 -0.20 0.13 0.08 -0.05 0.00 0.00 175.22 176.02 1h2i s VAL 96 N -2.11 0.14 -0.06 -2.49 1.01 -1.26 -2.67 120.40 112.96 1h2i s VAL 96 Ca 0.08 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1h2i s VAL 96 Cb -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1h2i s VAL 96 CO -0.05 -0.74 0.01 -1.81 0.00 0.00 0.00 175.10 172.52 1h2i s ASP 97 N 1.93 5.27 -0.33 3.32 1.01 0.11 -4.93 116.67 123.05 1h2i s ASP 97 Ca 0.10 0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.47 1h2i s ASP 97 Cb -0.17 -1.47 0.08 0.00 1.01 0.00 0.00 42.92 42.37 1h2i s ASP 97 CO -0.32 0.35 0.06 -0.22 0.21 0.00 0.00 175.17 175.24 1h2i s LEU 98 N -1.11 4.41 0.00 1.23 2.96 -1.26 0.65 118.68 125.57 1h2i s LEU 98 Ca 0.15 -1.68 0.10 0.00 -0.22 0.00 0.00 54.13 52.48 1h2i s LEU 98 Cb -0.11 -1.71 0.19 0.00 0.50 0.00 0.00 46.19 45.06 1h2i s LEU 98 CO 0.05 -0.36 1.06 0.59 -1.32 0.00 0.00 176.35 176.37 1h2i n ASN 99 N 4.52 2.42 0.00 3.68 5.03 -0.88 -4.95 115.26 125.08 1h2i n ASN 99 Ca -0.07 -1.76 0.00 0.00 0.87 0.00 0.00 54.58 53.62 1h2i n ASN 99 Cb 0.42 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 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 0.46 0.00 -0.05 6.41 3.02 -1.26 -4.91 115.26 118.93 1h2i n ASN 100 Ca 0.08 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.66 1h2i n ASN 100 Cb 0.34 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.48 3.51 7.41 0.00 -1.26 -5.03 105.19 112.29 1h2i n GLY 101 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.28 1.85 -0.02 1.61 1.02 -1.26 -4.48 119.74 117.17 1h2i s LYS 102 Ca 0.08 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 1h2i s LYS 102 Cb 0.07 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1h2i s LYS 102 CO 0.01 0.47 0.14 -0.06 -0.92 0.00 0.00 175.35 174.99 1h2i s PHE 103 N -1.26 3.45 -0.16 3.18 0.40 0.31 -2.06 117.98 121.85 1h2i s PHE 103 Ca 0.19 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 1h2i s PHE 103 Cb -0.10 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.64 1h2i s PHE 103 CO 0.11 0.62 -0.14 0.71 0.70 0.00 0.00 175.22 177.22 1h2i s TYR 104 N -1.23 2.25 -0.04 0.36 1.51 0.21 -1.03 117.35 119.38 1h2i s TYR 104 Ca 0.24 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.02 1h2i s TYR 104 Cb -0.12 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1h2i s TYR 104 CO 0.15 -0.69 -0.08 0.08 -1.11 0.00 0.00 175.55 173.90 1h2i s VAL 105 N 1.46 0.75 -0.10 0.71 1.01 0.53 0.10 120.40 124.85 1h2i s VAL 105 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1h2i s VAL 105 Cb -0.13 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1h2i s VAL 105 CO -0.11 0.25 -0.16 -0.83 0.00 0.00 0.00 175.10 174.25 1h2i s GLY 106 N 0.51 1.06 0.02 4.51 0.00 -1.09 -1.49 107.32 110.84 1h2i s GLY 106 Ca -0.08 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1h2i s GLY 106 CO 0.01 0.15 -0.09 0.14 0.00 0.00 0.00 173.10 173.30 1h2i s VAL 107 N 0.88 0.73 0.10 1.40 1.01 -0.34 0.02 120.40 124.19 1h2i s VAL 107 Ca -0.09 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1h2i s VAL 107 Cb -0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1h2i s VAL 107 CO 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 175.10 174.82 1h2i s ALA 109 N -1.08 0.72 -0.34 0.00 0.00 -0.42 -0.96 121.76 119.68 1h2i s ALA 109 Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 1h2i s ALA 109 Cb -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1h2i s ALA 109 CO 0.04 0.18 0.14 -0.06 0.00 0.00 0.00 175.76 176.06 1h2i s PHE 110 N -0.20 3.22 -0.16 0.00 0.40 0.13 -0.58 117.98 120.78 1h2i s PHE 110 Ca 0.03 -1.05 -0.03 0.00 -0.60 0.00 0.00 56.93 55.27 1h2i s PHE 110 Cb -0.03 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 1h2i s PHE 110 CO -0.00 -0.63 -0.04 0.08 0.70 0.00 0.00 175.22 175.32 1h2i s VAL 111 N 1.50 3.79 -0.22 -0.44 1.01 -0.66 0.03 120.40 125.41 1h2i s VAL 111 Ca 0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1h2i s VAL 111 Cb -0.19 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1h2i s VAL 111 CO 0.04 0.49 -0.02 -0.60 0.00 0.00 0.00 175.10 175.01 1h2i s ARG 112 N 0.47 3.44 0.01 2.72 3.52 -0.40 -1.81 118.95 126.90 1h2i s ARG 112 Ca -0.04 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1h2i s ARG 112 Cb -0.14 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1h2i s ARG 112 CO 0.03 -0.18 -0.01 0.54 -0.81 0.00 0.00 175.30 174.87 1h2i s VAL 113 N 1.46 4.08 0.04 7.11 0.11 0.13 -1.22 120.40 132.12 1h2i s VAL 113 Ca 0.05 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1h2i s VAL 113 Cb -0.14 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1h2i s VAL 113 CO -0.02 0.35 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.44 1h2i s GLN 114 N -1.62 0.54 0.29 1.54 0.74 0.50 -1.96 119.66 119.69 1h2i s GLN 114 Ca 0.20 -0.73 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1h2i s GLN 114 Cb -0.11 -0.34 -0.03 0.00 1.10 0.00 0.00 33.01 33.63 1h2i s GLN 114 CO 0.11 0.06 0.43 -0.51 -0.55 0.00 0.00 175.29 174.83 1h2i s LEU 115 N -1.49 4.17 0.28 3.68 1.02 -0.28 -0.14 118.68 125.91 1h2i s LEU 115 Ca -0.09 0.10 0.18 0.00 0.02 0.00 0.00 54.13 54.35 1h2i s LEU 115 Cb -0.09 -2.94 0.97 0.00 0.02 0.00 0.00 46.19 44.14 1h2i s LEU 115 CO 0.00 -0.21 1.53 2.29 0.02 0.00 0.00 176.35 179.99 1h2i n LYS 116 N -1.56 0.12 -0.15 1.70 2.85 -0.45 -0.57 118.16 120.09 1h2i n LYS 116 Ca -0.06 0.61 -0.09 0.00 -1.05 0.00 0.00 58.31 57.72 1h2i n LYS 116 Cb 0.57 -1.91 0.05 0.00 -0.65 0.00 0.00 35.03 33.09 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 0.94 0.00 -5.58 -0.00 -1.84 0.10 116.42 110.04 1h2i h ASP 117 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.03 56.71 1h2i h ASP 117 Cb 0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.13 1h2i h ASP 117 CO 0.00 1.08 0.00 0.61 -0.00 0.00 0.00 179.24 180.93 1h2i n GLY 118 N -0.28 2.15 3.75 -0.78 0.00 0.26 -4.57 105.19 105.72 1h2i n GLY 118 Ca 0.01 0.00 -0.34 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 -1.63 4.94 0.21 1.61 1.04 -1.26 -4.77 113.70 113.85 1h2i s SER 119 Ca 0.00 2.20 -0.22 0.00 0.48 0.00 0.00 55.95 58.41 1h2i s SER 119 Cb 0.00 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.59 1h2i s SER 119 CO 0.00 -1.75 0.68 -0.72 0.98 0.00 0.00 173.24 172.43 1h2i s TYR 120 N -2.01 -0.36 -0.11 5.02 -0.85 -1.26 -1.12 117.35 116.66 1h2i s TYR 120 Ca 0.72 0.03 -0.10 0.00 -0.52 0.00 0.00 57.07 57.20 1h2i s TYR 120 Cb -0.25 0.63 0.03 0.00 0.38 0.00 0.00 41.96 42.75 1h2i s TYR 120 CO 0.39 -1.03 0.29 -1.01 -1.52 0.00 0.00 175.55 172.68 1h2i s HIS 121 N -3.80 -0.33 0.03 -3.49 3.76 -0.83 -5.01 115.29 105.64 1h2i s HIS 121 Ca 0.06 0.79 0.06 0.00 -0.15 0.00 0.00 55.06 55.83 1h2i s HIS 121 Cb -0.03 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.74 1h2i s HIS 121 CO -0.03 -0.16 -0.18 -2.00 -0.85 0.00 0.00 174.74 171.52 1h2i s GLU 122 N 0.21 1.28 0.26 1.40 2.12 -1.26 -0.69 118.70 122.01 1h2i s GLU 122 Ca -0.00 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.38 1h2i s GLU 122 Cb -0.02 -1.34 -0.00 0.00 0.26 0.00 0.00 34.13 33.02 1h2i s GLU 122 CO -0.00 0.34 0.46 0.34 -0.54 0.00 0.00 175.26 175.86 1h2i s ASP 123 N -1.04 0.08 0.04 -1.70 -1.08 -0.75 -4.89 116.67 107.33 1h2i s ASP 123 Ca 0.06 -1.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 1h2i s ASP 123 Cb -0.08 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1h2i s ASP 123 CO 0.01 -1.16 0.16 -0.69 0.52 0.00 0.00 175.17 174.01 1h2i s VAL 124 N -3.83 5.11 0.20 1.11 1.01 -1.26 -1.65 120.40 121.09 1h2i s VAL 124 Ca 0.25 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1h2i s VAL 124 Cb -0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1h2i s VAL 124 CO 0.11 0.20 -0.15 -0.83 0.00 0.00 0.00 175.10 174.44 1h2i s GLY 125 N -2.26 1.41 0.06 4.51 0.00 0.25 -4.52 107.32 106.77 1h2i s GLY 125 Ca 0.30 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.44 1h2i s GLY 125 CO 0.23 -1.72 -0.12 -0.47 0.00 0.00 0.00 173.10 171.02 1h2i s TYR 126 N -2.85 1.04 -0.03 1.90 5.04 -1.26 -1.31 117.35 119.89 1h2i s TYR 126 Ca 0.21 -0.48 0.02 0.00 -2.44 0.00 0.00 57.07 54.38 1h2i s TYR 126 Cb -0.01 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.71 1h2i s TYR 126 CO 0.07 0.01 -0.09 0.20 -1.34 0.00 0.00 175.55 174.40 1h2i s GLY 127 N -1.74 0.55 0.06 8.97 0.00 0.17 -3.76 107.32 111.57 1h2i s GLY 127 Ca -0.04 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1h2i s GLY 127 CO 0.02 0.04 -0.17 0.14 0.00 0.00 0.00 173.10 173.13 1h2i s VAL 128 N 0.39 1.33 -0.19 1.40 1.01 -1.26 -1.20 120.40 121.87 1h2i s VAL 128 Ca -0.06 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 1h2i s VAL 128 Cb -0.11 -1.20 0.10 0.00 0.00 0.00 0.00 36.38 35.17 1h2i s VAL 128 CO 0.01 0.00 0.29 -0.55 0.00 0.00 0.00 175.10 174.85 1h2i s SER 129 N -1.37 0.63 -0.09 3.32 0.15 -0.56 -4.51 113.70 111.28 1h2i s SER 129 Ca 0.03 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.93 1h2i s SER 129 Cb -0.09 0.75 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1h2i s SER 129 CO 0.02 -0.29 -0.14 -1.61 1.20 0.00 0.00 173.24 172.42 1h2i s GLU 130 N 2.44 2.07 0.00 5.44 2.02 -1.26 -0.35 118.70 129.06 1h2i s GLU 130 Ca 0.06 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1h2i s GLU 130 Cb -0.14 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1h2i s GLU 130 CO -0.12 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1h2i n GLY 131 N 4.06 3.17 3.73 -1.39 0.00 -0.20 -5.01 105.19 109.55 1h2i n GLY 131 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 2.68 0.00 0.99 1.43 -1.26 -4.56 118.68 117.96 1h2i s LEU 132 Ca 0.00 1.73 0.20 0.00 -1.03 0.00 0.00 54.13 55.03 1h2i s LEU 132 Cb 0.00 -4.28 -0.21 0.00 0.03 0.00 0.00 46.19 41.73 1h2i s LEU 132 CO 0.00 -2.42 0.86 0.29 0.23 0.00 0.00 176.35 175.31 1h2i n LYS 133 N -3.76 0.38 -3.34 1.70 5.02 -1.26 -0.53 118.16 116.38 1h2i n LYS 133 Ca 0.08 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 1h2i n LYS 133 Cb 0.54 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -2.89 6.32 0.05 4.39 0.15 -1.26 -4.83 113.70 115.63 1h2i s SER 134 Ca 0.08 0.37 -0.26 0.00 0.70 0.00 0.00 55.95 56.84 1h2i s SER 134 Cb 0.15 -2.23 -0.17 0.00 -1.71 0.00 0.00 66.02 62.06 1h2i s SER 134 CO 0.82 -0.22 1.51 0.50 1.20 0.00 0.00 173.24 177.06 1h2i h LYS 135 N 8.10 -0.31 -0.08 5.44 3.64 -1.98 -1.77 116.57 129.62 1h2i h LYS 135 Ca -0.31 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1h2i h LYS 135 Cb 1.15 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 1h2i h LYS 135 CO 0.67 -0.09 -0.35 0.00 -2.27 0.00 0.00 179.45 177.41 1h2i h ALA 136 N 0.24 -0.47 -0.08 5.00 0.00 -1.99 0.14 119.26 122.09 1h2i h ALA 136 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 136 Cb 0.36 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1h2i h ALA 136 CO 0.05 -0.85 0.06 -0.07 0.00 0.00 0.00 179.25 178.45 1h2i h LEU 137 N -0.45 0.09 -0.05 0.00 -0.00 -1.97 0.38 115.31 113.30 1h2i h LEU 137 Ca 0.08 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1h2i h LEU 137 Cb 0.58 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1h2i h LEU 137 CO -0.33 0.06 -0.18 0.28 -0.00 0.00 0.00 178.44 178.27 1h2i h SER 138 N 0.10 0.25 -0.75 -0.43 0.02 -0.26 -1.76 113.55 110.71 1h2i h SER 138 Ca 0.03 -0.63 -0.05 0.00 -0.84 0.00 0.00 61.79 60.31 1h2i h SER 138 Cb 0.00 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1h2i h SER 138 CO -0.01 0.83 0.29 -0.07 -1.14 0.00 0.00 176.83 176.74 1h2i h LEU 139 N -0.32 1.04 -0.70 5.07 -0.00 -0.43 -1.85 115.31 118.12 1h2i h LEU 139 Ca -0.01 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.66 1h2i h LEU 139 Cb 0.81 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 1h2i h LEU 139 CO 0.04 0.94 0.32 -0.08 -0.00 0.00 0.00 178.44 179.66 1h2i h GLU 140 N 1.09 1.02 -0.26 1.13 4.81 -0.92 -0.29 114.58 121.15 1h2i h GLU 140 Ca 0.25 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1h2i h GLU 140 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1h2i h GLU 140 CO -0.02 0.82 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.84 1h2i h LYS 141 N 0.99 0.48 -0.45 1.92 3.64 -1.03 -2.39 116.57 119.73 1h2i h LYS 141 Ca 0.24 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1h2i h LYS 141 Cb 0.15 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1h2i h LYS 141 CO -0.03 0.66 -0.05 0.00 -2.27 0.00 0.00 179.45 177.77 1h2i h ALA 142 N 0.80 0.61 -0.33 5.00 0.00 -1.19 -0.75 119.26 123.40 1h2i h ALA 142 Ca 0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1h2i h ALA 142 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1h2i h ALA 142 CO 0.02 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 179.67 1h2i h ARG 143 N 0.67 0.61 -0.54 0.00 3.08 -1.07 -1.85 114.38 115.28 1h2i h ARG 143 Ca 0.12 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1h2i h ARG 143 Cb 0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1h2i h ARG 143 CO 0.03 0.77 0.12 0.87 -1.07 0.00 0.00 179.97 180.69 1h2i h LYS 144 N 0.40 0.87 -0.05 0.04 1.57 -1.35 -2.69 116.57 115.36 1h2i h LYS 144 Ca 0.09 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1h2i h LYS 144 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1h2i h LYS 144 CO 0.03 0.83 -0.43 0.93 -0.57 0.00 0.00 179.45 180.23 1h2i h GLU 145 N 0.77 0.12 -0.63 3.15 5.08 -1.10 -2.31 114.58 119.65 1h2i h GLU 145 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1h2i h GLU 145 Cb 0.35 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1h2i h GLU 145 CO 0.00 0.53 0.31 0.00 -1.00 0.00 0.00 179.01 178.85 1h2i h ALA 146 N 1.46 0.81 -0.16 3.43 0.00 -1.09 0.20 119.26 123.91 1h2i h ALA 146 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1h2i h ALA 146 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1h2i h ALA 146 CO 0.06 0.37 0.01 0.28 0.00 0.00 0.00 179.25 179.97 1h2i h VAL 147 N 0.86 1.24 -0.67 0.00 2.07 -1.18 -0.71 116.25 117.86 1h2i h VAL 147 Ca 0.22 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1h2i h VAL 147 Cb 0.11 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1h2i h VAL 147 CO -0.03 0.24 0.17 0.74 0.02 0.00 0.00 177.57 178.71 1h2i h THR 148 N 0.03 1.26 -0.63 2.57 2.02 -1.24 0.68 112.91 117.59 1h2i h THR 148 Ca 0.05 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1h2i h THR 148 Cb 0.35 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1h2i h THR 148 CO 0.01 0.36 0.25 -0.78 0.37 0.00 0.00 175.52 175.73 1h2i h ASP 149 N 1.00 0.84 -0.27 4.18 -0.00 -0.51 0.16 116.42 121.82 1h2i h ASP 149 Ca 0.21 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.03 57.00 1h2i h ASP 149 Cb 0.36 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.47 1h2i h ASP 149 CO 0.00 0.76 -0.31 1.23 -0.00 0.00 0.00 179.24 180.92 1h2i h GLY 150 N 1.01 0.76 1.01 -0.78 0.00 -0.54 -1.29 103.07 103.23 1h2i h GLY 150 Ca 0.21 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1h2i h GLY 150 CO -0.02 0.72 0.40 -2.00 0.00 0.00 0.00 176.54 175.64 1h2i h LEU 151 N 0.43 0.96 -0.29 3.11 5.85 -0.43 -0.05 115.31 124.89 1h2i h LEU 151 Ca 0.04 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1h2i h LEU 151 Cb 0.89 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1h2i h LEU 151 CO 0.08 0.79 0.11 0.11 -0.34 0.00 0.00 178.44 179.18 1h2i h LYS 152 N 1.05 0.43 -0.46 1.25 1.57 -0.58 -1.65 116.57 118.19 1h2i h LYS 152 Ca 0.27 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1h2i h LYS 152 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1h2i h LYS 152 CO -0.04 0.46 0.21 0.00 -0.57 0.00 0.00 179.45 179.51 1h2i h ARG 153 N 0.31 0.67 -0.48 3.15 3.08 -0.92 -1.83 114.38 118.37 1h2i h ARG 153 Ca 0.09 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1h2i h ARG 153 Cb 0.20 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1h2i h ARG 153 CO -0.01 0.59 0.19 0.00 -1.07 0.00 0.00 179.97 179.66 1h2i h ALA 154 N 1.05 0.59 -0.45 0.04 0.00 -0.89 -2.50 119.26 117.10 1h2i h ALA 154 Ca 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1h2i h ALA 154 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h2i h ALA 154 CO -0.02 -0.20 0.19 -0.07 0.00 0.00 0.00 179.25 179.15 1h2i h LEU 155 N 0.37 0.58 -1.96 0.00 -0.00 -0.76 -2.48 115.31 111.06 1h2i h LEU 155 Ca 0.23 -0.06 0.30 0.00 -0.00 0.00 0.00 57.88 58.35 1h2i h LEU 155 Cb 0.22 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.69 1h2i h LEU 155 CO -0.22 0.52 0.75 0.03 -0.00 0.00 0.00 178.44 179.52 1h2i h ARG 156 N 0.64 0.03 -0.00 1.13 3.08 -0.87 -0.21 114.38 118.17 1h2i h ARG 156 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1h2i h ARG 156 Cb 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1h2i h ARG 156 CO -0.02 0.02 0.00 0.77 -1.07 0.00 0.00 179.97 179.67 1h2i h SER 157 N 0.03 0.00 1.39 7.04 0.02 -1.53 -1.68 113.55 118.81 1h2i h SER 157 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1h2i h SER 157 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 1h2i h SER 157 CO -0.02 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.41 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.23 -3.49 116.94 114.67 1h2i h PHE 158 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1h2i h PHE 158 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 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 0.98 0.84 0.09 -1.45 0.00 -0.63 -4.93 105.19 100.08 1h2i n GLY 159 Ca 0.04 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.09 -0.25 1.61 2.35 -1.55 -1.32 115.58 116.34 1h2i h ASN 160 Ca 0.00 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1h2i h ASN 160 Cb 0.00 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1h2i h ASN 160 CO 0.00 -0.02 0.42 0.00 -1.65 0.00 0.00 177.43 176.18 1h2i h ALA 161 N 1.13 1.82 -0.54 -0.83 0.00 0.62 0.34 119.26 121.79 1h2i h ALA 161 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h2i h ALA 161 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1h2i h ALA 161 CO -0.13 -0.55 0.00 1.28 0.00 0.00 0.00 179.25 179.85 1h2i n LEU 162 N -3.35 4.08 0.00 0.00 7.99 -0.78 -4.93 117.00 120.01 1h2i n LEU 162 Ca 0.04 -2.34 0.00 0.00 -0.01 0.00 0.00 56.01 53.69 1h2i n LEU 162 Cb 0.55 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 1h2i n LEU 162 CO 0.21 0.80 0.00 0.61 -1.51 0.00 0.00 177.39 177.51 1h2i n GLY 163 N 0.84 1.32 0.18 -0.72 0.00 0.12 -3.81 105.19 103.13 1h2i n GLY 163 Ca 0.22 0.00 0.14 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 0.25 1.61 -0.00 -1.16 -2.48 115.58 113.80 1h2i h ASN 164 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 56.05 1h2i h ASN 164 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.33 1h2i h ASN 164 CO 0.00 0.00 -1.03 0.00 -0.00 0.00 0.00 177.43 176.40 1h2i n ILE 166 N -3.76 0.00 -0.21 0.00 0.00 -0.93 0.75 119.36 115.20 1h2i n ILE 166 Ca -0.09 0.95 0.04 0.00 0.00 0.00 0.00 62.75 63.65 1h2i n ILE 166 Cb 0.88 -1.68 0.10 0.00 0.00 0.00 0.00 39.64 38.94 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 -2.85 2.63 -4.52 9.51 -0.00 -1.26 -4.91 117.00 115.60 1h2i n LEU 167 Ca 0.20 -2.12 -0.42 0.00 -0.00 0.00 0.00 56.01 53.67 1h2i n LEU 167 Cb 1.20 -0.18 -0.04 0.00 -0.00 0.00 0.00 43.42 44.40 1h2i n LEU 167 CO 0.20 0.64 0.88 -0.62 -0.00 0.00 0.00 177.39 178.49 1h2i s ASP 168 N -1.15 6.28 0.46 1.45 3.68 0.23 -4.93 116.67 122.69 1h2i s ASP 168 Ca 0.16 -0.46 0.25 0.00 2.13 0.00 0.00 52.55 54.64 1h2i s ASP 168 Cb 0.10 -2.47 1.27 0.00 -1.45 0.00 0.00 42.92 40.37 1h2i s ASP 168 CO 0.09 -1.43 1.83 0.11 0.13 0.00 0.00 175.17 175.90 1h2i h LYS 169 N 9.54 0.22 -0.12 4.34 1.57 -1.91 0.83 116.57 131.05 1h2i h LYS 169 Ca -0.27 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 1h2i h LYS 169 Cb 1.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1h2i h LYS 169 CO 1.16 0.15 -0.54 -0.44 -0.57 0.00 0.00 179.45 179.21 1h2i h ASP 170 N 0.23 0.37 -0.06 0.86 3.32 -1.95 -0.58 116.42 118.62 1h2i h ASP 170 Ca 0.52 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 1h2i h ASP 170 Cb 1.61 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1h2i h ASP 170 CO -0.14 0.84 -0.07 0.22 -1.72 0.00 0.00 179.24 178.37 1h2i h TYR 171 N 0.26 0.18 -0.45 4.55 3.20 -1.24 -1.92 116.97 121.55 1h2i h TYR 171 Ca 0.01 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1h2i h TYR 171 Cb 1.03 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 1h2i h TYR 171 CO 0.03 0.62 0.17 -0.07 -1.64 0.00 0.00 178.16 177.26 1h2i h LEU 172 N -0.31 0.19 0.15 2.82 3.38 -1.04 -1.46 115.31 119.04 1h2i h LEU 172 Ca 0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1h2i h LEU 172 Cb 0.59 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1h2i h LEU 172 CO 0.02 0.14 -0.32 -0.09 0.09 0.00 0.00 178.44 178.28 1h2i h ARG 173 N 0.35 -0.54 0.00 1.13 2.43 -1.05 -0.84 114.38 115.86 1h2i h ARG 173 Ca 0.21 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1h2i h ARG 173 Cb 0.19 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1h2i h ARG 173 CO -0.20 -0.36 0.00 -1.13 -1.51 0.00 0.00 179.97 176.77 1h2i n SER 174 N -5.42 0.00 0.12 -3.80 3.41 -0.73 -1.69 113.62 105.51 1h2i n SER 174 Ca -0.07 0.35 -0.23 0.00 -0.26 0.00 0.00 58.87 58.66 1h2i n SER 174 Cb 0.33 -0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.70 -1.69 1.04 3.38 -0.09 -3.27 115.31 115.38 1h2i h LEU 175 Ca 0.00 -0.83 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 1h2i h LEU 175 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1h2i h LEU 175 CO 0.00 1.67 -0.03 0.78 0.09 0.00 0.00 178.44 180.95 1h2i h ASN 176 N 0.12 0.14 0.00 -0.43 2.35 -0.55 -3.02 115.58 114.19 1h2i h ASN 176 Ca -0.27 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1h2i h ASN 176 Cb 2.12 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.46 1h2i h ASN 176 CO 0.23 0.20 0.00 0.29 -1.65 0.00 0.00 177.43 176.50 1h2i n LYS 177 N -4.41 0.79 -4.20 0.81 5.02 -1.16 -4.71 118.16 110.30 1h2i n LYS 177 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1h2i n LYS 177 Cb 0.17 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 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 2.47 0.00 -0.35 1.43 -1.14 -5.08 118.68 116.01 1h2i s LEU 178 Ca 0.00 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1h2i s LEU 178 Cb 0.00 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.95 1h2i s LEU 178 CO 0.00 -0.33 0.00 -2.65 0.23 0.00 0.00 176.35 173.60 1h2i n PRO 179 N 0.18 1.74 -0.00 1.29 -0.02 -1.26 -5.00 135.00 131.93 1h2i n PRO 179 Ca -0.13 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1h2i n PRO 179 Cb 0.59 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.07 1h2i n PRO 179 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h2i n ARG 180 N 0.00 0.02 -0.17 -0.52 1.74 -1.26 -5.08 116.66 111.39 1h2i n ARG 180 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1h2i n ARG 180 Cb 0.00 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 1h2i n ARG 180 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1h2i n GLN 181 N -2.62 0.00 -2.85 5.56 7.27 -1.26 -5.04 117.38 118.43 1h2i n GLN 181 Ca -0.01 0.17 -0.40 0.00 0.07 0.00 0.00 57.00 56.84 1h2i n GLN 181 Cb 0.02 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.61 1h2i n GLN 181 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1h2i s LEU 182 N -0.11 4.58 0.29 1.69 2.34 -1.26 -4.97 118.68 121.25 1h2i s LEU 182 Ca 0.00 1.75 -0.25 0.00 0.06 0.00 0.00 54.13 55.69 1h2i s LEU 182 Cb 0.00 -3.45 -0.16 0.00 -0.56 0.00 0.00 46.19 42.02 1h2i s LEU 182 CO 0.00 0.11 0.44 -2.65 -1.06 0.00 0.00 176.35 173.19 1h2i n PRO 183 N 1.94 0.17 -1.91 1.48 -0.02 -1.26 -4.84 135.00 130.56 1h2i n PRO 183 Ca -0.02 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.18 1h2i n PRO 183 Cb 0.48 -1.13 0.04 0.00 -0.02 0.00 0.00 33.50 32.87 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 3.05 3.52 -0.19 2.45 0.20 -1.26 -5.01 118.68 121.45 1h2i s LEU 184 Ca 0.62 2.12 -0.04 0.00 0.69 0.00 0.00 54.13 57.52 1h2i s LEU 184 Cb -0.79 -4.57 -0.02 0.00 -0.43 0.00 0.00 46.19 40.38 1h2i s LEU 184 CO 0.59 -1.55 -0.02 -1.61 -0.29 0.00 0.00 176.35 173.46 1h2i s GLU 185 N -3.75 3.58 -0.06 1.98 0.41 -1.26 -5.09 118.70 114.51 1h2i s GLU 185 Ca 0.70 -0.55 -0.22 0.00 -0.41 0.00 0.00 54.97 54.50 1h2i s GLU 185 Cb -0.23 -3.00 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 1h2i s GLU 185 CO 0.36 0.05 0.62 0.08 -0.49 0.00 0.00 175.26 175.88 1h2i s VAL 186 N 0.88 5.03 -0.42 2.63 1.01 -1.26 -5.05 120.40 123.22 1h2i s VAL 186 Ca 0.00 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.09 1h2i s VAL 186 Cb -0.14 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1h2i s VAL 186 CO 0.02 0.32 0.44 -0.62 0.00 0.00 0.00 175.10 175.26 1h2i s ASP 187 N 0.46 6.20 0.00 3.32 3.68 -1.26 -4.94 116.67 124.13 1h2i s ASP 187 Ca 0.33 -0.68 0.14 0.00 2.13 0.00 0.00 52.55 54.47 1h2i s ASP 187 Cb -0.17 -2.23 0.40 0.00 -1.45 0.00 0.00 42.92 39.47 1h2i s ASP 187 CO 0.16 -0.59 1.33 0.18 0.13 0.00 0.00 175.17 176.38 1h2i n LEU 188 N 5.62 2.36 -0.27 -1.34 4.77 -1.26 -4.33 117.00 122.55 1h2i n LEU 188 Ca -0.07 -1.18 0.08 0.00 -0.03 0.00 0.00 56.01 54.81 1h2i n LEU 188 Cb 0.47 -0.29 0.22 0.00 -2.33 0.00 0.00 43.42 41.49 1h2i n LEU 188 CO 0.46 0.59 1.01 0.74 -1.33 0.00 0.00 177.39 178.86 1h2i h THR 189 N 2.59 0.57 -0.55 -5.08 2.02 -2.05 -1.21 112.91 109.20 1h2i h THR 189 Ca 0.00 -0.14 -0.23 0.00 0.77 0.00 0.00 66.41 66.81 1h2i h THR 189 Cb 0.59 0.14 -0.14 0.00 -1.74 0.00 0.00 68.15 67.00 1h2i h THR 189 CO 0.00 0.07 0.16 0.29 0.37 0.00 0.00 175.52 176.41 1h2i n LYS 190 N -5.04 2.43 -1.27 6.66 5.02 -1.26 -5.02 118.16 119.67 1h2i n LYS 190 Ca 0.17 -3.08 -0.35 0.00 -2.02 0.00 0.00 58.31 53.03 1h2i n LYS 190 Cb 0.49 -1.97 0.11 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.87 0.11 -2.24 7.82 0.00 -0.46 -4.93 120.51 119.95 1h2i n ALA 191 Ca 0.39 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1h2i n ALA 191 Cb 1.22 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.80 4.50 0.00 0.00 2.20 -1.26 -4.94 119.74 116.44 1h2i s LYS 192 Ca 0.75 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 1h2i s LYS 192 Cb -0.32 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1h2i s LYS 192 CO 0.49 -0.12 0.24 0.54 -0.36 0.00 0.00 175.35 176.14 1h2i n ARG 193 N 3.13 0.58 -4.11 4.03 1.74 -1.26 -5.05 116.66 115.72 1h2i n ARG 193 Ca 0.06 -0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 1h2i n ARG 193 Cb 0.46 -0.70 -0.10 0.00 -1.02 0.00 0.00 32.46 31.10 1h2i n ARG 193 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h2i s GLN 194 N -0.15 0.67 0.07 5.56 -0.21 -1.26 -5.06 119.66 119.28 1h2i s GLN 194 Ca 0.00 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.14 1h2i s GLN 194 Cb 0.00 -0.11 -0.24 0.00 1.00 0.00 0.00 33.01 33.66 1h2i s GLN 194 CO 0.00 -0.02 1.17 -0.44 -2.12 0.00 0.00 175.29 173.88 1h2i h ASP 195 N 3.51 0.87 -2.11 5.90 3.45 -2.05 -3.45 116.42 122.54 1h2i h ASP 195 Ca -0.35 -0.73 -0.63 0.00 0.43 0.00 0.00 57.03 55.75 1h2i h ASP 195 Cb 1.17 -0.27 0.07 0.00 -0.56 0.00 0.00 39.33 39.74 1h2i h ASP 195 CO 0.57 1.53 0.49 0.18 -1.57 0.00 0.00 179.24 180.44 1h2i n LEU 196 N -3.82 2.20 -3.78 1.55 7.99 -1.26 -4.95 117.00 114.94 1h2i n LEU 196 Ca -0.12 1.13 -0.29 0.00 -0.01 0.00 0.00 56.01 56.72 1h2i n LEU 196 Cb 0.92 -1.30 -0.13 0.00 -0.11 0.00 0.00 43.42 42.80 1h2i n LEU 196 CO 0.56 -0.87 -0.20 -1.61 -1.51 0.00 0.00 177.39 173.76 1h2i s GLU 197 N 0.05 1.63 0.22 3.23 0.41 -1.26 -5.01 118.70 117.96 1h2i s GLU 197 Ca 0.76 -2.40 -0.08 0.00 -0.41 0.00 0.00 54.97 52.83 1h2i s GLU 197 Cb -0.80 -2.69 0.31 0.00 -1.78 0.00 0.00 34.13 29.17 1h2i s GLU 197 CO 0.48 -1.19 1.75 -1.35 -0.49 0.00 0.00 175.26 174.46 1h2i h PRO 198 N 6.35 0.45 -0.83 0.39 0.11 -1.99 -0.77 132.00 135.72 1h2i h PRO 198 Ca 0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1h2i h PRO 198 Cb 0.89 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1h2i h PRO 198 CO 0.57 0.30 0.43 0.66 -0.21 0.00 0.00 178.00 179.75 1h2i h SER 199 N 0.47 1.05 -0.11 -2.05 4.64 -1.99 -1.47 113.55 114.08 1h2i h SER 199 Ca 0.33 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 1h2i h SER 199 Cb 0.39 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1h2i h SER 199 CO -0.30 0.86 -0.24 0.58 -0.87 0.00 0.00 176.83 176.85 1h2i h VAL 200 N 1.16 1.39 -0.89 0.95 2.07 -1.87 -1.62 116.25 117.44 1h2i h VAL 200 Ca 0.29 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1h2i h VAL 200 Cb 0.06 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1h2i h VAL 200 CO -0.04 0.44 0.58 -0.08 0.02 0.00 0.00 177.57 178.49 1h2i h GLU 201 N -0.07 1.08 -0.34 1.57 4.57 -1.01 -0.07 114.58 120.31 1h2i h GLU 201 Ca 0.00 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1h2i h GLU 201 Cb 0.83 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1h2i h GLU 201 CO 0.05 0.72 -0.02 0.93 -1.18 0.00 0.00 179.01 179.51 1h2i h GLU 202 N 1.12 0.61 -0.60 1.92 5.08 -1.27 -0.48 114.58 120.96 1h2i h GLU 202 Ca 0.36 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1h2i h GLU 202 Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1h2i h GLU 202 CO -0.12 0.75 0.21 0.00 -1.00 0.00 0.00 179.01 178.84 1h2i h ALA 203 N 0.84 1.24 0.10 3.43 0.00 -0.24 0.43 119.26 125.07 1h2i h ALA 203 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1h2i h ALA 203 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h2i h ALA 203 CO 0.02 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.77 1h2i h ARG 204 N 0.87 -0.13 -0.02 0.00 3.08 -0.83 -2.18 114.38 115.18 1h2i h ARG 204 Ca 0.20 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.29 1h2i h ARG 204 Cb 0.22 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1h2i h ARG 204 CO -0.01 0.07 -0.37 -0.92 -1.07 0.00 0.00 179.97 177.67 1h2i h TYR 205 N -0.31 -1.03 0.00 3.04 3.20 -0.46 0.47 116.97 121.87 1h2i h TYR 205 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1h2i h TYR 205 Cb 0.26 0.46 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1h2i h TYR 205 CO -0.01 -0.45 0.00 0.09 -1.64 0.00 0.00 178.16 176.14 1h2i n ASN 206 N -5.43 0.00 -0.03 -2.11 3.02 0.09 -2.04 115.26 108.76 1h2i n ASN 206 Ca -0.05 0.46 -0.19 0.00 -0.03 0.00 0.00 54.58 54.77 1h2i n ASN 206 Cb 0.35 -0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.46 1.87 -0.07 6.41 3.41 0.08 -4.30 113.62 119.56 1h2i n SER 207 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1h2i n SER 207 Cb 0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88