#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2i n PHE 26 N -2.81 2.40 0.00 0.00 7.35 -1.26 -1.66 117.46 121.49 1h2i n PHE 26 Ca 0.08 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1h2i n PHE 26 Cb 0.28 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.61 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 2.01 1.56 0.00 7.13 0.00 -0.19 -4.85 105.19 110.84 1h2i n GLY 27 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 2.77 -2.18 1.61 6.02 -0.66 -3.98 117.38 118.96 1h2i n GLN 28 Ca 0.00 -1.43 -0.29 0.00 -0.01 0.00 0.00 57.00 55.27 1h2i n GLN 28 Cb 0.00 -0.98 0.02 0.00 1.02 0.00 0.00 30.24 30.29 1h2i n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2i s GLN 30 N -5.05 1.38 0.31 0.00 0.74 -1.26 -4.17 119.66 111.60 1h2i s GLN 30 Ca 0.53 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 55.25 1h2i s GLN 30 Cb -0.11 -1.21 -0.10 0.00 1.10 0.00 0.00 33.01 32.69 1h2i s GLN 30 CO 0.49 0.11 1.29 0.71 -0.55 0.00 0.00 175.29 177.35 1h2i s TYR 31 N 0.33 3.11 0.58 1.67 1.51 -1.26 -4.99 117.35 118.30 1h2i s TYR 31 Ca -0.07 1.42 -0.16 0.00 -1.01 0.00 0.00 57.07 57.25 1h2i s TYR 31 Cb -0.12 -3.64 -0.04 0.00 -0.11 0.00 0.00 41.96 38.05 1h2i s TYR 31 CO 0.02 -1.76 1.04 0.95 -1.11 0.00 0.00 175.55 174.69 1h2i s THR 32 N -1.02 3.94 0.28 -0.71 -4.23 -1.26 -4.82 115.64 107.82 1h2i s THR 32 Ca 0.49 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 1h2i s THR 32 Cb -0.39 -3.44 0.27 0.00 1.34 0.00 0.00 72.50 70.27 1h2i s THR 32 CO 0.50 -0.54 1.80 0.00 -0.54 0.00 0.00 174.62 175.85 1h2i h ALA 33 N 0.53 1.44 -0.01 3.99 0.00 -1.99 -0.18 119.26 123.05 1h2i h ALA 33 Ca -0.47 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1h2i h ALA 33 Cb 1.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1h2i h ALA 33 CO 0.58 0.08 0.00 1.49 0.00 0.00 0.00 179.25 181.40 1h2i h GLU 34 N 0.83 0.01 -0.49 0.00 4.81 -2.00 -0.25 114.58 117.49 1h2i h GLU 34 Ca 0.49 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.65 1h2i h GLU 34 Cb 0.59 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1h2i h GLU 34 CO -0.31 0.14 0.03 1.49 -0.73 0.00 0.00 179.01 179.64 1h2i h GLU 35 N -0.13 0.85 -0.07 1.92 4.81 -1.82 -1.70 114.58 118.45 1h2i h GLU 35 Ca 0.00 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1h2i h GLU 35 Cb 0.14 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1h2i h GLU 35 CO -0.00 0.87 -0.21 -0.92 -0.73 0.00 0.00 179.01 178.03 1h2i h TYR 36 N 0.72 -0.54 -0.39 0.92 3.20 -0.91 -0.74 116.97 119.22 1h2i h TYR 36 Ca 0.14 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1h2i h TYR 36 Cb 0.47 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1h2i h TYR 36 CO 0.03 -0.29 0.23 0.37 -1.64 0.00 0.00 178.16 176.87 1h2i h GLN 37 N -0.29 0.45 -0.42 1.82 4.15 -0.89 0.23 115.11 120.16 1h2i h GLN 37 Ca 0.08 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1h2i h GLN 37 Cb 0.41 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1h2i h GLN 37 CO -0.24 0.30 0.21 0.00 -1.93 0.00 0.00 178.83 177.17 1h2i h ALA 38 N 1.17 0.52 -0.40 3.38 0.00 -0.90 -2.42 119.26 120.61 1h2i h ALA 38 Ca 0.16 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 38 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h2i h ALA 38 CO -0.07 -0.14 -0.20 0.82 0.00 0.00 0.00 179.25 179.66 1h2i h ILE 39 N 0.43 1.28 -0.52 0.00 2.04 -0.82 -0.70 117.51 119.21 1h2i h ILE 39 Ca 0.18 -1.34 0.09 0.00 1.00 0.00 0.00 64.86 64.79 1h2i h ILE 39 Cb 0.08 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1h2i h ILE 39 CO -0.12 0.45 0.09 -0.61 0.00 0.00 0.00 178.15 177.96 1h2i h GLN 40 N 0.66 0.22 0.17 2.37 -0.00 -0.74 -0.06 115.11 117.73 1h2i h GLN 40 Ca 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1h2i h GLN 40 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.19 1h2i h GLN 40 CO 0.06 0.15 -0.08 0.87 0.00 0.00 0.00 178.83 179.82 1h2i h LYS 41 N 0.23 -0.22 -0.96 1.69 1.57 -1.31 -3.22 116.57 114.36 1h2i h LYS 41 Ca 0.27 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.19 1h2i h LYS 41 Cb 0.37 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1h2i h LYS 41 CO -0.36 0.10 0.61 0.00 -0.57 0.00 0.00 179.45 179.23 1h2i h ALA 42 N 0.19 1.65 0.00 3.86 0.00 -0.75 -1.67 119.26 122.54 1h2i h ALA 42 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h2i h ALA 42 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h2i h ALA 42 CO 0.04 0.10 -0.05 -0.07 0.00 0.00 0.00 179.25 179.26 1h2i h LEU 43 N 0.86 0.00 -0.99 0.00 3.38 -1.02 -2.76 115.31 114.79 1h2i h LEU 43 Ca 0.48 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.35 1h2i h LEU 43 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1h2i h LEU 43 CO -0.24 0.05 -0.39 0.03 0.09 0.00 0.00 178.44 177.98 1h2i h ARG 44 N 0.00 0.23 -6.57 1.13 3.08 -1.34 0.75 114.38 111.65 1h2i h ARG 44 Ca -0.00 -0.10 -0.59 0.00 0.07 0.00 0.00 59.98 59.36 1h2i h ARG 44 Cb 0.23 -0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.39 1h2i h ARG 44 CO 0.01 0.59 0.21 1.04 -1.07 0.00 0.00 179.97 180.75 1h2i n GLN 45 N -4.04 1.52 -3.14 0.04 6.02 -1.04 -4.54 117.38 112.19 1h2i n GLN 45 Ca -0.01 0.54 -0.27 0.00 -0.01 0.00 0.00 57.00 57.24 1h2i n GLN 45 Cb 0.46 -1.99 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1h2i n GLN 45 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h2i s ARG 46 N -1.74 3.58 -0.01 -1.09 1.81 -1.26 -1.18 118.95 119.06 1h2i s ARG 46 Ca 0.59 -0.01 -0.03 0.00 -1.72 0.00 0.00 55.73 54.56 1h2i s ARG 46 Cb -0.64 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.26 1h2i s ARG 46 CO 0.60 0.07 0.19 -0.48 -0.68 0.00 0.00 175.30 175.00 1h2i s LEU 47 N -4.08 4.37 1.22 2.53 2.34 -1.26 -4.91 118.68 118.88 1h2i s LEU 47 Ca 0.44 0.38 -0.16 0.00 0.06 0.00 0.00 54.13 54.84 1h2i s LEU 47 Cb -0.10 -2.60 0.30 0.00 -0.56 0.00 0.00 46.19 43.23 1h2i s LEU 47 CO 0.35 0.27 1.02 -0.83 -1.06 0.00 0.00 176.35 176.10 1h2i s GLY 48 N -1.87 1.51 0.59 -3.48 0.00 -1.26 -4.90 107.32 97.92 1h2i s GLY 48 Ca 0.27 -0.50 0.31 0.00 0.00 0.00 0.00 44.72 44.80 1h2i s GLY 48 CO 0.18 0.31 2.25 -2.55 0.00 0.00 0.00 173.10 173.29 1h2i h PRO 49 N -2.74 0.00 0.00 2.90 0.11 -1.96 -2.38 132.00 127.94 1h2i h PRO 49 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 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 0.44 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.39 1h2i n GLU 50 N -3.75 0.06 -0.10 1.05 0.00 -1.26 -2.70 120.64 113.95 1h2i n GLU 50 Ca -0.03 0.28 -0.12 0.00 0.00 0.00 0.00 57.16 57.28 1h2i n GLU 50 Cb 0.10 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.92 1h2i n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1h2i n TYR 51 N -1.40 0.00 -2.74 -1.84 4.02 -0.90 -4.99 117.16 109.32 1h2i n TYR 51 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 1h2i n TYR 51 Cb 0.09 -0.88 -0.05 0.00 -0.02 0.00 0.00 39.34 38.48 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 -2.45 4.37 0.31 -0.72 -1.09 -1.10 -4.43 121.20 116.10 1h2i s ILE 52 Ca -0.20 2.07 0.03 0.00 -2.23 0.00 0.00 60.65 60.32 1h2i s ILE 52 Cb 0.07 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1h2i s ILE 52 CO 0.63 0.37 0.11 -0.94 -1.23 0.00 0.00 174.94 173.88 1h2i s SER 53 N -0.36 1.80 0.15 3.58 1.04 -0.55 -4.98 113.70 114.39 1h2i s SER 53 Ca 0.45 -1.48 -0.10 0.00 0.48 0.00 0.00 55.95 55.29 1h2i s SER 53 Cb -0.24 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1h2i s SER 53 CO 0.30 -0.78 0.30 -0.94 0.98 0.00 0.00 173.24 173.10 1h2i s SER 54 N -3.42 -0.00 0.21 7.02 1.04 -1.26 -1.40 113.70 115.90 1h2i s SER 54 Ca 0.35 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 1h2i s SER 54 Cb 0.06 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1h2i s SER 54 CO 0.15 -0.88 0.24 0.00 0.98 0.00 0.00 173.24 173.74 1h2i s ARG 55 N -3.92 1.31 -0.28 4.02 1.70 -0.66 -4.96 118.95 116.15 1h2i s ARG 55 Ca 0.13 -1.51 -0.16 0.00 -0.47 0.00 0.00 55.73 53.72 1h2i s ARG 55 Cb 0.03 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1h2i s ARG 55 CO -0.03 -0.47 0.42 -1.64 -1.08 0.00 0.00 175.30 172.49 1h2i s MET 56 N -4.11 3.93 0.76 3.89 -1.94 -1.26 -1.37 119.30 119.20 1h2i s MET 56 Ca 0.34 0.03 -0.11 0.00 -1.71 0.00 0.00 55.69 54.23 1h2i s MET 56 Cb 0.05 -3.69 0.05 0.00 2.01 0.00 0.00 34.83 33.25 1h2i s MET 56 CO 0.11 -0.36 1.08 0.00 -0.01 0.00 0.00 175.02 175.84 1h2i s ALA 57 N 2.15 2.38 0.40 3.03 0.00 0.50 -4.88 121.76 125.34 1h2i s ALA 57 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1h2i s ALA 57 Cb -0.16 -3.14 0.86 0.00 0.00 0.00 0.00 23.12 20.68 1h2i s ALA 57 CO 0.10 -1.57 1.99 0.78 0.00 0.00 0.00 175.76 177.07 1h2i h GLY 58 N -0.97 0.74 -0.92 0.00 0.00 -1.97 -0.52 103.07 99.42 1h2i h GLY 58 Ca -0.46 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1h2i h GLY 58 CO 0.58 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.92 1h2i n GLY 59 N -1.48 0.84 3.60 4.60 0.00 -1.26 -4.75 105.19 106.74 1h2i n GLY 59 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.17 -0.53 3.09 -0.02 0.00 -0.21 -4.98 105.19 102.72 1h2i n GLY 60 Ca 0.00 0.21 -0.22 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 -6.31 1.17 0.36 1.61 -2.07 -1.21 -4.90 119.66 108.32 1h2i s GLN 61 Ca 0.56 -0.47 -0.28 0.00 -1.82 0.00 0.00 55.36 53.35 1h2i s GLN 61 Cb -0.26 -1.11 -0.11 0.00 -1.09 0.00 0.00 33.01 30.44 1h2i s GLN 61 CO 0.70 0.25 1.48 1.17 -1.32 0.00 0.00 175.29 177.57 1h2i n LYS 62 N 2.90 2.61 -3.81 9.60 4.81 -1.26 -0.37 118.16 132.63 1h2i n LYS 62 Ca -0.15 0.92 -0.25 0.00 -0.87 0.00 0.00 58.31 57.95 1h2i n LYS 62 Cb 0.55 -2.63 -0.17 0.00 0.02 0.00 0.00 35.03 32.79 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 -0.97 0.61 0.28 3.15 1.01 -0.47 -4.84 120.40 119.16 1h2i s VAL 63 Ca 0.55 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 1h2i s VAL 63 Cb -0.49 -0.76 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 1h2i s VAL 63 CO 0.62 0.23 0.61 0.00 0.00 0.00 0.00 175.10 176.56 1h2i s TYR 65 N -1.98 -0.19 -0.08 0.00 -0.85 -0.49 -4.98 117.35 108.78 1h2i s TYR 65 Ca 0.48 -0.03 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 1h2i s TYR 65 Cb -0.11 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1h2i s TYR 65 CO 0.24 -0.66 -0.09 0.42 -1.52 0.00 0.00 175.55 173.94 1h2i s ILE 66 N -3.12 3.52 0.25 -3.49 1.01 -1.26 -1.47 121.20 116.64 1h2i s ILE 66 Ca 0.10 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 1h2i s ILE 66 Cb -0.01 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.93 1h2i s ILE 66 CO -0.02 0.58 1.10 -1.61 0.00 0.00 0.00 174.94 174.99 1h2i s GLU 67 N -0.57 4.64 0.28 2.79 2.02 -1.26 -4.91 118.70 121.69 1h2i s GLU 67 Ca 0.08 1.78 -0.00 0.00 0.02 0.00 0.00 54.97 56.85 1h2i s GLU 67 Cb -0.12 -3.21 0.66 0.00 0.10 0.00 0.00 34.13 31.56 1h2i s GLU 67 CO 0.02 0.19 1.62 0.78 0.02 0.00 0.00 175.26 177.89 1h2i h GLY 68 N 4.14 1.21 2.00 -1.39 0.00 -1.98 0.17 103.07 107.22 1h2i h GLY 68 Ca -0.46 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1h2i h GLY 68 CO 0.68 -0.40 -0.15 1.12 0.00 0.00 0.00 176.54 177.79 1h2i h HIS 69 N 0.12 0.00 -0.21 5.60 2.07 -2.00 -0.35 115.15 120.38 1h2i h HIS 69 Ca 0.53 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.88 1h2i h HIS 69 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1h2i h HIS 69 CO -0.36 0.15 -0.53 0.00 -3.07 0.00 0.00 177.93 174.12 1h2i h ARG 70 N 0.00 0.73 -0.68 5.12 2.47 -1.05 -2.52 114.38 118.46 1h2i h ARG 70 Ca -0.00 -0.51 -0.04 0.00 -1.26 0.00 0.00 59.98 58.17 1h2i h ARG 70 Cb 0.31 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1h2i h ARG 70 CO 0.02 1.13 0.27 0.28 0.56 0.00 0.00 179.97 182.23 1h2i h VAL 71 N 0.45 1.24 -0.65 2.04 2.07 -1.02 0.12 116.25 120.51 1h2i h VAL 71 Ca -0.01 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1h2i h VAL 71 Cb 1.15 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1h2i h VAL 71 CO 0.12 0.30 0.40 0.40 0.02 0.00 0.00 177.57 178.81 1h2i h ILE 72 N 0.96 1.18 -0.21 4.57 2.04 -1.05 -0.33 117.51 124.67 1h2i h ILE 72 Ca 0.23 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.55 1h2i h ILE 72 Cb 0.20 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1h2i h ILE 72 CO -0.02 0.19 -0.47 0.78 0.00 0.00 0.00 178.15 178.62 1h2i h ASN 73 N 0.88 0.60 -0.20 1.72 2.35 -1.10 -0.11 115.58 119.73 1h2i h ASN 73 Ca 0.23 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1h2i h ASN 73 Cb -0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1h2i h ASN 73 CO -0.05 0.98 0.06 -0.07 -1.65 0.00 0.00 177.43 176.70 1h2i h LEU 74 N 0.45 0.05 -0.04 1.61 3.38 -0.36 -0.93 115.31 119.46 1h2i h LEU 74 Ca 0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1h2i h LEU 74 Cb 0.99 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1h2i h LEU 74 CO 0.09 0.06 -0.03 0.00 0.09 0.00 0.00 178.44 178.65 1h2i h ALA 75 N 1.13 0.01 -0.93 1.53 0.00 -0.78 0.16 119.26 120.39 1h2i h ALA 75 Ca 0.09 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1h2i h ALA 75 Cb 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1h2i h ALA 75 CO -0.10 -0.51 0.61 -0.91 0.00 0.00 0.00 179.25 178.34 1h2i h ASN 76 N -0.03 1.03 0.52 0.00 2.35 -0.79 0.35 115.58 119.01 1h2i h ASN 76 Ca 0.03 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.53 1h2i h ASN 76 Cb 0.06 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1h2i h ASN 76 CO -0.06 0.72 -0.99 -0.33 -1.65 0.00 0.00 177.43 175.12 1h2i h GLU 77 N 1.20 0.28 -0.15 0.81 4.39 -0.86 0.31 114.58 120.56 1h2i h GLU 77 Ca 0.36 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1h2i h GLU 77 Cb -0.04 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1h2i h GLU 77 CO -0.10 1.07 -0.14 1.98 -1.16 0.00 0.00 179.01 180.66 1h2i h MET 78 N 0.14 0.36 0.00 2.33 4.05 -0.33 -3.38 114.93 118.10 1h2i h MET 78 Ca -0.08 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1h2i h MET 78 Cb 1.65 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 1h2i h MET 78 CO 0.16 0.74 -0.60 1.19 0.23 0.00 0.00 176.91 178.63 1h2i n PHE 79 N -4.56 0.00 0.00 1.39 3.72 0.08 -4.98 117.46 113.11 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 0.36 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 1.31 1.21 0.35 1.37 0.00 0.11 -3.30 105.19 106.23 1h2i n GLY 80 Ca 0.02 -1.62 0.17 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 -0.46 1.61 -0.00 -1.89 0.05 116.97 116.28 1h2i h TYR 81 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 1h2i h TYR 81 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 1h2i h TYR 81 CO 0.00 0.00 0.06 0.27 -0.00 0.00 0.00 178.16 178.49 1h2i n ASN 82 N -4.18 4.38 -0.13 0.10 2.04 -1.26 -4.51 115.26 111.70 1h2i n ASN 82 Ca 0.05 -3.13 0.06 0.00 -0.44 0.00 0.00 54.58 51.11 1h2i n ASN 82 Cb 0.42 -0.64 -0.04 0.00 -2.53 0.00 0.00 39.78 37.00 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 -0.25 -0.12 3.17 4.83 0.00 0.00 -4.72 105.19 108.10 1h2i n GLY 83 Ca 0.29 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.90 0.43 0.23 1.61 1.48 -1.25 -1.31 118.94 118.23 1h2i s TRP 84 Ca 0.07 -0.89 -0.16 0.00 -1.06 0.00 0.00 56.10 54.06 1h2i s TRP 84 Cb 0.10 -0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.17 1h2i s TRP 84 CO 0.42 -0.50 0.54 0.00 -4.06 0.00 0.00 176.95 173.35 1h2i s ALA 85 N -3.93 -0.75 -0.02 2.67 0.00 0.17 -4.95 121.76 114.96 1h2i s ALA 85 Ca 0.10 -0.47 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 1h2i s ALA 85 Cb 0.06 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.15 1h2i s ALA 85 CO -0.07 -0.87 0.48 -3.38 0.00 0.00 0.00 175.76 171.92 1h2i s HIS 86 N -3.93 -0.39 0.09 0.00 -3.43 -1.26 0.26 115.29 106.63 1h2i s HIS 86 Ca 0.14 0.63 0.01 0.00 -0.80 0.00 0.00 55.06 55.04 1h2i s HIS 86 Cb -0.02 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 1h2i s HIS 86 CO 0.03 -0.50 -0.04 -1.54 -2.00 0.00 0.00 174.74 170.69 1h2i s SER 87 N -1.33 0.91 -0.48 7.38 1.04 0.04 -4.98 113.70 116.29 1h2i s SER 87 Ca -0.12 -1.03 -0.16 0.00 0.48 0.00 0.00 55.95 55.12 1h2i s SER 87 Cb -0.03 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.30 1h2i s SER 87 CO 0.06 -0.53 0.43 -0.63 0.98 0.00 0.00 173.24 173.55 1h2i s ILE 88 N -3.74 5.18 0.31 -1.02 1.01 -1.26 -1.26 121.20 120.41 1h2i s ILE 88 Ca 0.12 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1h2i s ILE 88 Cb 0.06 -4.15 0.09 0.00 0.01 0.00 0.00 42.46 38.47 1h2i s ILE 88 CO -0.05 -0.61 1.76 0.71 0.00 0.00 0.00 174.94 176.76 1h2i h THR 89 N 5.77 1.25 -1.51 2.92 1.35 -1.20 -3.46 112.91 118.03 1h2i h THR 89 Ca -0.28 -1.18 0.09 0.00 -0.55 0.00 0.00 66.41 64.49 1h2i h THR 89 Cb 1.11 1.34 -0.25 0.00 -1.73 0.00 0.00 68.15 68.62 1h2i h THR 89 CO 0.89 0.37 0.57 -1.58 -0.25 0.00 0.00 175.52 175.51 1h2i s GLN 90 N -4.52 0.49 -0.06 4.72 0.74 -1.21 -5.00 119.66 114.82 1h2i s GLN 90 Ca -0.06 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.64 1h2i s GLN 90 Cb 0.14 0.24 0.02 0.00 1.10 0.00 0.00 33.01 34.51 1h2i s GLN 90 CO 0.78 -0.12 -0.07 -1.14 -0.55 0.00 0.00 175.29 174.19 1h2i s GLN 91 N -0.58 1.17 -0.08 1.67 0.74 -1.26 0.07 119.66 121.40 1h2i s GLN 91 Ca 0.01 -0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.25 1h2i s GLN 91 Cb -0.02 -1.14 0.01 0.00 1.10 0.00 0.00 33.01 32.95 1h2i s GLN 91 CO -0.03 -0.11 -0.15 1.21 -0.55 0.00 0.00 175.29 175.66 1h2i s ASN 92 N 1.09 2.13 -0.44 6.67 3.84 -0.24 -5.00 114.94 123.00 1h2i s ASN 92 Ca -0.08 -0.37 -0.26 0.00 0.21 0.00 0.00 52.86 52.36 1h2i s ASN 92 Cb -0.14 -0.98 0.02 0.00 -0.55 0.00 0.00 41.25 39.60 1h2i s ASN 92 CO -0.01 0.06 0.95 -0.69 -2.79 0.00 0.00 177.10 174.63 1h2i s VAL 93 N 0.62 4.46 0.22 -5.21 1.01 -1.26 -1.44 120.40 118.79 1h2i s VAL 93 Ca -0.15 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1h2i s VAL 93 Cb -0.16 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 31.85 1h2i s VAL 93 CO 0.05 -0.79 1.66 0.44 0.00 0.00 0.00 175.10 176.46 1h2i h ASP 94 N 8.96 0.85 -4.01 3.32 3.45 -0.93 -3.47 116.42 124.57 1h2i h ASP 94 Ca -0.24 -0.26 0.18 0.00 0.43 0.00 0.00 57.03 57.14 1h2i h ASP 94 Cb 1.07 -0.23 -0.22 0.00 -0.56 0.00 0.00 39.33 39.40 1h2i h ASP 94 CO 1.03 0.98 0.72 0.72 -1.57 0.00 0.00 179.24 181.12 1h2i s PHE 95 N -4.80 -0.21 -0.32 4.55 -0.12 -1.18 -4.98 117.98 110.92 1h2i s PHE 95 Ca -0.10 0.26 -0.02 0.00 -0.05 0.00 0.00 56.93 57.03 1h2i s PHE 95 Cb 0.14 0.49 0.11 0.00 -0.63 0.00 0.00 43.02 43.13 1h2i s PHE 95 CO 0.84 -0.25 0.13 0.08 -0.05 0.00 0.00 175.22 175.96 1h2i s VAL 96 N -1.80 0.51 -0.08 -2.49 1.01 -1.26 -2.60 120.40 113.69 1h2i s VAL 96 Ca 0.05 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 1h2i s VAL 96 Cb -0.01 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1h2i s VAL 96 CO -0.04 -0.75 0.03 -1.81 0.00 0.00 0.00 175.10 172.53 1h2i s ASP 97 N 1.63 5.42 -0.31 3.32 1.01 0.61 -4.94 116.67 123.41 1h2i s ASP 97 Ca 0.11 0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.55 1h2i s ASP 97 Cb -0.18 -1.56 0.07 0.00 1.01 0.00 0.00 42.92 42.26 1h2i s ASP 97 CO -0.25 0.37 0.02 -0.22 0.21 0.00 0.00 175.17 175.31 1h2i s LEU 98 N -0.97 4.12 0.00 1.23 2.96 -1.26 0.76 118.68 125.52 1h2i s LEU 98 Ca 0.14 -1.52 0.10 0.00 -0.22 0.00 0.00 54.13 52.64 1h2i s LEU 98 Cb -0.11 -1.69 0.13 0.00 0.50 0.00 0.00 46.19 45.02 1h2i s LEU 98 CO 0.03 -0.30 0.93 0.59 -1.32 0.00 0.00 176.35 176.28 1h2i n ASN 99 N 4.54 2.11 0.00 3.68 5.03 -0.85 -4.97 115.26 124.80 1h2i n ASN 99 Ca -0.10 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.78 1h2i n ASN 99 Cb 0.43 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 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 0.53 0.00 0.00 6.41 3.02 -1.26 -4.92 115.26 119.04 1h2i n ASN 100 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1h2i n ASN 100 Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 2.73 3.58 7.41 0.00 -1.26 -5.03 105.19 112.62 1h2i n GLY 101 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1h2i n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2i s LYS 102 N -0.95 2.09 -0.08 1.61 1.02 -1.26 -4.47 119.74 117.70 1h2i s LYS 102 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.73 1h2i s LYS 102 Cb 0.00 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1h2i s LYS 102 CO 0.00 0.44 0.02 -0.06 -0.92 0.00 0.00 175.35 174.83 1h2i s PHE 103 N -1.67 3.20 -0.22 3.18 0.40 0.18 -2.01 117.98 121.03 1h2i s PHE 103 Ca 0.25 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.81 1h2i s PHE 103 Cb -0.09 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.70 1h2i s PHE 103 CO 0.15 0.50 -0.13 0.71 0.70 0.00 0.00 175.22 177.15 1h2i s TYR 104 N -0.93 2.83 -0.07 0.36 1.51 0.23 -1.67 117.35 119.62 1h2i s TYR 104 Ca 0.14 -1.89 0.03 0.00 -1.01 0.00 0.00 57.07 54.34 1h2i s TYR 104 Cb -0.11 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1h2i s TYR 104 CO 0.04 -0.81 -0.15 0.08 -1.11 0.00 0.00 175.55 173.59 1h2i s VAL 105 N 1.26 1.34 -0.13 0.71 1.01 0.03 -0.28 120.40 124.34 1h2i s VAL 105 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1h2i s VAL 105 Cb -0.17 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1h2i s VAL 105 CO -0.08 0.40 -0.19 -0.83 0.00 0.00 0.00 175.10 174.40 1h2i s GLY 106 N 0.49 1.21 -0.01 4.51 0.00 -1.07 -1.80 107.32 110.66 1h2i s GLY 106 Ca -0.13 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1h2i s GLY 106 CO 0.04 0.13 -0.09 0.14 0.00 0.00 0.00 173.10 173.32 1h2i s VAL 107 N 0.95 0.74 0.15 1.40 1.01 -0.22 -0.18 120.40 124.26 1h2i s VAL 107 Ca -0.06 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.64 1h2i s VAL 107 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1h2i s VAL 107 CO -0.03 0.21 -0.25 0.00 0.00 0.00 0.00 175.10 175.04 1h2i s ALA 109 N -1.30 0.35 -0.24 0.00 0.00 -0.16 -1.08 121.76 119.33 1h2i s ALA 109 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1h2i s ALA 109 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1h2i s ALA 109 CO 0.08 0.06 0.00 -0.06 0.00 0.00 0.00 175.76 175.84 1h2i s PHE 110 N -0.34 3.03 -0.11 0.00 0.40 0.11 -0.35 117.98 120.72 1h2i s PHE 110 Ca -0.01 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1h2i s PHE 110 Cb -0.03 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 1h2i s PHE 110 CO -0.00 -0.52 -0.18 0.08 0.70 0.00 0.00 175.22 175.30 1h2i s VAL 111 N 1.51 2.59 -0.21 -0.44 1.01 -0.38 -0.57 120.40 123.91 1h2i s VAL 111 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1h2i s VAL 111 Cb -0.15 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1h2i s VAL 111 CO -0.01 0.54 -0.03 -0.60 0.00 0.00 0.00 175.10 175.00 1h2i s ARG 112 N 0.33 3.44 -0.00 2.72 3.52 -0.39 -1.87 118.95 126.70 1h2i s ARG 112 Ca -0.14 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1h2i s ARG 112 Cb -0.17 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 1h2i s ARG 112 CO 0.07 -0.13 -0.05 0.54 -0.81 0.00 0.00 175.30 174.92 1h2i s VAL 113 N 1.32 3.79 0.02 7.11 0.11 -0.24 -0.78 120.40 131.73 1h2i s VAL 113 Ca 0.04 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 1h2i s VAL 113 Cb -0.14 -2.65 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 1h2i s VAL 113 CO -0.01 0.40 -0.04 -1.58 -3.33 0.00 0.00 175.10 170.54 1h2i s GLN 114 N -1.43 0.33 0.38 1.54 0.74 0.14 -1.75 119.66 119.61 1h2i s GLN 114 Ca 0.18 -0.59 0.02 0.00 0.05 0.00 0.00 55.36 55.01 1h2i s GLN 114 Cb -0.11 0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.01 1h2i s GLN 114 CO 0.08 -0.03 0.57 -0.51 -0.55 0.00 0.00 175.29 174.85 1h2i s LEU 115 N -1.38 3.85 0.15 3.68 1.02 -0.25 0.46 118.68 126.21 1h2i s LEU 115 Ca -0.14 0.16 0.10 0.00 0.02 0.00 0.00 54.13 54.27 1h2i s LEU 115 Cb -0.09 -3.04 0.55 0.00 0.02 0.00 0.00 46.19 43.63 1h2i s LEU 115 CO -0.01 -0.51 1.31 2.29 0.02 0.00 0.00 176.35 179.45 1h2i n LYS 116 N -1.86 0.07 -0.09 1.70 2.85 -0.43 -0.93 118.16 119.48 1h2i n LYS 116 Ca -0.01 0.56 -0.14 0.00 -1.05 0.00 0.00 58.31 57.67 1h2i n LYS 116 Cb 0.57 -1.71 -0.04 0.00 -0.65 0.00 0.00 35.03 33.20 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 -0.16 116.42 109.79 1h2i h ASP 117 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 1h2i h ASP 117 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.06 1h2i h ASP 117 CO 0.00 1.28 0.00 0.61 -0.00 0.00 0.00 179.24 181.13 1h2i n GLY 118 N 0.31 2.19 3.75 -0.78 0.00 -0.10 -4.53 105.19 106.03 1h2i n GLY 118 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.74 4.88 0.21 1.61 1.04 -1.26 -4.77 113.70 113.67 1h2i s SER 119 Ca 0.00 2.18 -0.22 0.00 0.48 0.00 0.00 55.95 58.39 1h2i s SER 119 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.59 1h2i s SER 119 CO 0.00 -1.79 0.68 -0.72 0.98 0.00 0.00 173.24 172.38 1h2i s TYR 120 N -2.07 -0.35 -0.07 5.02 -0.85 -1.26 -1.09 117.35 116.67 1h2i s TYR 120 Ca 0.71 0.02 -0.12 0.00 -0.52 0.00 0.00 57.07 57.16 1h2i s TYR 120 Cb -0.25 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.75 1h2i s TYR 120 CO 0.40 -1.03 0.29 -1.01 -1.52 0.00 0.00 175.55 172.68 1h2i s HIS 121 N -3.80 -0.25 0.02 -3.49 3.76 -0.72 -5.01 115.29 105.81 1h2i s HIS 121 Ca 0.06 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.55 1h2i s HIS 121 Cb -0.03 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.73 1h2i s HIS 121 CO -0.03 -0.25 -0.11 -2.00 -0.85 0.00 0.00 174.74 171.51 1h2i s GLU 122 N -0.48 0.77 0.25 1.40 2.12 -1.26 -1.08 118.70 120.43 1h2i s GLU 122 Ca -0.06 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.58 1h2i s GLU 122 Cb -0.04 -0.73 -0.01 0.00 0.26 0.00 0.00 34.13 33.62 1h2i s GLU 122 CO 0.02 0.18 0.41 0.34 -0.54 0.00 0.00 175.26 175.67 1h2i s ASP 123 N -0.89 0.07 0.07 -1.70 -1.08 -0.78 -4.90 116.67 107.46 1h2i s ASP 123 Ca 0.00 -1.08 -0.03 0.00 -0.52 0.00 0.00 52.55 50.92 1h2i s ASP 123 Cb -0.07 0.56 -0.05 0.00 -1.46 0.00 0.00 42.92 41.90 1h2i s ASP 123 CO 0.01 -1.11 0.28 -0.69 0.52 0.00 0.00 175.17 174.18 1h2i s VAL 124 N -3.92 5.29 0.13 1.11 1.01 -1.26 -1.25 120.40 121.51 1h2i s VAL 124 Ca 0.26 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.22 1h2i s VAL 124 Cb 0.01 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1h2i s VAL 124 CO 0.11 0.16 -0.17 -0.83 0.00 0.00 0.00 175.10 174.37 1h2i s GLY 125 N -2.27 1.23 0.11 4.51 0.00 0.53 -4.47 107.32 106.95 1h2i s GLY 125 Ca 0.35 -1.34 0.08 0.00 0.00 0.00 0.00 44.72 43.81 1h2i s GLY 125 CO 0.24 -1.37 -0.20 -0.47 0.00 0.00 0.00 173.10 171.30 1h2i s TYR 126 N -1.78 1.71 -0.05 1.90 5.04 -1.26 -0.99 117.35 121.92 1h2i s TYR 126 Ca 0.10 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 1h2i s TYR 126 Cb -0.07 -0.93 0.01 0.00 0.35 0.00 0.00 41.96 41.32 1h2i s TYR 126 CO 0.05 0.20 -0.10 0.20 -1.34 0.00 0.00 175.55 174.55 1h2i s GLY 127 N -1.99 0.66 0.03 8.97 0.00 0.21 -3.59 107.32 111.63 1h2i s GLY 127 Ca 0.06 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.50 1h2i s GLY 127 CO 0.04 0.08 -0.16 0.14 0.00 0.00 0.00 173.10 173.20 1h2i s VAL 128 N 0.53 1.27 -0.19 1.40 1.01 -1.26 -1.05 120.40 122.10 1h2i s VAL 128 Ca -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1h2i s VAL 128 Cb -0.13 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.21 1h2i s VAL 128 CO 0.02 0.10 0.24 -0.55 0.00 0.00 0.00 175.10 174.91 1h2i s SER 129 N -1.04 1.08 -0.08 3.32 0.15 -0.74 -4.52 113.70 111.87 1h2i s SER 129 Ca 0.04 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.69 1h2i s SER 129 Cb -0.08 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1h2i s SER 129 CO 0.01 -0.31 -0.15 -1.61 1.20 0.00 0.00 173.24 172.38 1h2i s GLU 130 N 2.36 2.08 0.00 5.44 2.02 -1.26 -0.79 118.70 128.55 1h2i s GLU 130 Ca 0.06 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1h2i s GLU 130 Cb -0.15 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1h2i s GLU 130 CO -0.12 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1h2i n GLY 131 N 3.81 3.12 3.74 -1.39 0.00 -0.67 -5.01 105.19 108.80 1h2i n GLY 131 Ca -0.21 0.00 -0.32 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 3.08 -0.00 0.99 1.43 -1.26 -4.56 118.68 118.36 1h2i s LEU 132 Ca 0.00 1.99 0.22 0.00 -1.03 0.00 0.00 54.13 55.31 1h2i s LEU 132 Cb 0.00 -4.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.52 1h2i s LEU 132 CO 0.00 -2.24 0.91 0.29 0.23 0.00 0.00 176.35 175.54 1h2i n LYS 133 N -3.42 0.09 -3.23 1.70 5.02 -1.26 -0.65 118.16 116.41 1h2i n LYS 133 Ca 0.10 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 1h2i n LYS 133 Cb 0.52 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.21 6.48 0.02 4.39 0.15 -1.26 -4.83 113.70 115.44 1h2i s SER 134 Ca 0.06 0.58 -0.25 0.00 0.70 0.00 0.00 55.95 57.04 1h2i s SER 134 Cb 0.16 -2.29 -0.18 0.00 -1.71 0.00 0.00 66.02 62.00 1h2i s SER 134 CO 0.85 -0.27 1.40 0.50 1.20 0.00 0.00 173.24 176.93 1h2i h LYS 135 N 7.86 -0.18 -0.17 5.44 3.64 -1.98 -1.32 116.57 129.85 1h2i h LYS 135 Ca -0.30 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1h2i h LYS 135 Cb 1.14 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1h2i h LYS 135 CO 0.73 0.11 -0.23 0.00 -2.27 0.00 0.00 179.45 177.79 1h2i h ALA 136 N 0.33 -0.17 -0.19 5.00 0.00 -1.99 0.56 119.26 122.81 1h2i h ALA 136 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 136 Cb 0.38 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1h2i h ALA 136 CO 0.03 -0.68 0.04 -0.07 0.00 0.00 0.00 179.25 178.58 1h2i h LEU 137 N -0.27 0.24 -0.03 0.00 -0.00 -1.97 0.53 115.31 113.81 1h2i h LEU 137 Ca 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1h2i h LEU 137 Cb 0.44 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1h2i h LEU 137 CO -0.32 0.25 -0.03 0.28 -0.00 0.00 0.00 178.44 178.62 1h2i h SER 138 N 0.26 0.07 -0.28 -0.43 0.02 -0.13 -2.17 113.55 110.90 1h2i h SER 138 Ca 0.07 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1h2i h SER 138 Cb 0.12 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1h2i h SER 138 CO -0.00 0.55 0.18 -0.07 -1.14 0.00 0.00 176.83 176.35 1h2i h LEU 139 N -0.40 0.33 -0.49 5.07 -0.00 -0.65 -1.48 115.31 117.69 1h2i h LEU 139 Ca 0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 1h2i h LEU 139 Cb 0.53 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.06 1h2i h LEU 139 CO 0.01 0.25 0.20 -0.08 -0.00 0.00 0.00 178.44 178.82 1h2i h GLU 140 N 0.37 0.39 0.07 1.13 4.81 -0.92 0.33 114.58 120.76 1h2i h GLU 140 Ca 0.10 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1h2i h GLU 140 Cb -0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1h2i h GLU 140 CO -0.02 0.25 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.26 1h2i h LYS 141 N 0.40 -0.09 -0.41 1.92 3.64 -1.13 -2.11 116.57 118.79 1h2i h LYS 141 Ca 0.23 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1h2i h LYS 141 Cb 0.20 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1h2i h LYS 141 CO -0.20 0.06 0.24 0.00 -2.27 0.00 0.00 179.45 177.28 1h2i h ALA 142 N 0.69 0.52 -0.31 5.00 0.00 -0.99 -1.51 119.26 122.65 1h2i h ALA 142 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1h2i h ALA 142 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1h2i h ALA 142 CO 0.02 0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.43 1h2i h ARG 143 N 0.53 0.45 -0.64 0.00 3.08 -0.92 -1.53 114.38 115.36 1h2i h ARG 143 Ca 0.14 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1h2i h ARG 143 Cb 0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1h2i h ARG 143 CO -0.03 0.42 0.11 0.87 -1.07 0.00 0.00 179.97 180.27 1h2i h LYS 144 N 0.37 1.06 -0.12 0.04 1.57 -1.28 -2.88 116.57 115.33 1h2i h LYS 144 Ca 0.11 -0.28 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 1h2i h LYS 144 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1h2i h LYS 144 CO -0.01 0.98 -0.46 0.93 -0.57 0.00 0.00 179.45 180.32 1h2i h GLU 145 N 0.97 0.28 -0.53 3.15 5.08 -1.15 -2.24 114.58 120.15 1h2i h GLU 145 Ca 0.19 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1h2i h GLU 145 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1h2i h GLU 145 CO 0.01 0.69 0.33 0.00 -1.00 0.00 0.00 179.01 179.04 1h2i h ALA 146 N 1.29 0.67 0.19 3.43 0.00 -1.17 0.22 119.26 123.89 1h2i h ALA 146 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1h2i h ALA 146 Cb 0.90 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1h2i h ALA 146 CO 0.07 0.13 -0.09 0.28 0.00 0.00 0.00 179.25 179.65 1h2i h VAL 147 N 0.71 0.88 -0.62 0.00 2.07 -1.26 -0.11 116.25 117.91 1h2i h VAL 147 Ca 0.19 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1h2i h VAL 147 Cb -0.04 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1h2i h VAL 147 CO -0.04 0.07 0.40 0.74 0.02 0.00 0.00 177.57 178.76 1h2i h THR 148 N -0.40 1.17 -0.42 2.57 2.02 -1.28 0.15 112.91 116.72 1h2i h THR 148 Ca -0.03 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1h2i h THR 148 Cb 0.31 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1h2i h THR 148 CO 0.04 0.16 0.22 -0.78 0.37 0.00 0.00 175.52 175.53 1h2i h ASP 149 N 0.84 0.32 -0.52 4.18 -0.00 -0.48 -0.03 116.42 120.72 1h2i h ASP 149 Ca 0.22 0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.23 1h2i h ASP 149 Cb -0.08 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.19 1h2i h ASP 149 CO -0.05 0.23 0.16 1.23 -0.00 0.00 0.00 179.24 180.82 1h2i h GLY 150 N 0.44 0.87 0.92 -0.78 0.00 -0.37 0.05 103.07 104.20 1h2i h GLY 150 Ca 0.18 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1h2i h GLY 150 CO -0.11 0.48 0.57 -2.00 0.00 0.00 0.00 176.54 175.48 1h2i h LEU 151 N 0.72 0.96 -0.18 3.11 5.85 -0.29 -0.40 115.31 125.08 1h2i h LEU 151 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1h2i h LEU 151 Cb 0.28 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1h2i h LEU 151 CO -0.01 0.67 -0.00 0.11 -0.34 0.00 0.00 178.44 178.88 1h2i h LYS 152 N 1.13 0.32 -0.64 1.25 1.57 -0.55 -1.82 116.57 117.82 1h2i h LYS 152 Ca 0.34 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1h2i h LYS 152 Cb -0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1h2i h LYS 152 CO -0.10 0.53 0.29 0.00 -0.57 0.00 0.00 179.45 179.60 1h2i h ARG 153 N 0.07 0.92 0.24 3.15 3.08 -0.57 -1.97 114.38 119.30 1h2i h ARG 153 Ca 0.05 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1h2i h ARG 153 Cb 0.39 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1h2i h ARG 153 CO 0.01 0.72 -0.11 0.00 -1.07 0.00 0.00 179.97 179.52 1h2i h ALA 154 N 1.41 -0.32 -0.63 0.04 0.00 -0.95 -2.85 119.26 115.96 1h2i h ALA 154 Ca 0.22 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1h2i h ALA 154 Cb 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1h2i h ALA 154 CO -0.03 -0.64 0.43 -0.07 0.00 0.00 0.00 179.25 178.94 1h2i h LEU 155 N -0.40 0.26 -1.37 0.00 -0.00 -1.01 -1.87 115.31 110.91 1h2i h LEU 155 Ca -0.03 0.01 0.18 0.00 -0.00 0.00 0.00 57.88 58.04 1h2i h LEU 155 Cb 0.30 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 40.85 1h2i h LEU 155 CO 0.05 0.14 0.59 0.03 -0.00 0.00 0.00 178.44 179.25 1h2i h ARG 156 N 0.28 0.54 -0.30 1.13 3.08 -1.11 -1.27 114.38 116.72 1h2i h ARG 156 Ca 0.30 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.40 1h2i h ARG 156 Cb 0.80 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1h2i h ARG 156 CO -0.07 0.35 0.37 0.77 -1.07 0.00 0.00 179.97 180.32 1h2i h SER 157 N 0.55 0.00 1.41 7.04 0.02 -1.43 -1.31 113.55 119.83 1h2i h SER 157 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1h2i h SER 157 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1h2i h SER 157 CO -0.21 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.22 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.42 -3.49 116.94 114.48 1h2i h PHE 158 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1h2i h PHE 158 Cb 0.88 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.44 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 0.73 1.37 0.14 -1.45 0.00 -0.49 -4.94 105.19 100.54 1h2i n GLY 159 Ca 0.03 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.41 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 0.15 0.00 1.61 2.35 -1.52 -1.64 115.58 116.53 1h2i h ASN 160 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1h2i h ASN 160 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1h2i h ASN 160 CO 0.00 0.12 0.29 0.00 -1.65 0.00 0.00 177.43 176.19 1h2i h ALA 161 N 1.18 1.27 -0.44 -0.83 0.00 0.62 0.35 119.26 121.42 1h2i h ALA 161 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h2i h ALA 161 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h2i h ALA 161 CO -0.12 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1h2i n LEU 162 N -2.75 3.54 0.00 0.00 7.99 -0.73 -4.94 117.00 120.11 1h2i n LEU 162 Ca -0.02 -2.24 0.00 0.00 -0.01 0.00 0.00 56.01 53.74 1h2i n LEU 162 Cb 0.33 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1h2i n LEU 162 CO 0.13 0.77 0.00 0.61 -1.51 0.00 0.00 177.39 177.39 1h2i n GLY 163 N 0.60 1.08 0.31 -0.72 0.00 0.12 -3.92 105.19 102.68 1h2i n GLY 163 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.23 1.61 -0.00 -1.24 -2.46 115.58 113.26 1h2i h ASN 164 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.14 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 0.01 -0.49 0.00 -0.00 0.00 0.00 177.43 176.95 1h2i n ILE 166 N -4.12 0.00 0.02 0.00 0.00 -0.93 0.11 119.36 114.44 1h2i n ILE 166 Ca -0.05 0.62 0.04 0.00 0.00 0.00 0.00 62.75 63.36 1h2i n ILE 166 Cb 0.59 -1.05 0.10 0.00 0.00 0.00 0.00 39.64 39.27 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 -2.58 2.43 -4.56 9.51 -0.00 -1.26 -4.91 117.00 115.64 1h2i n LEU 167 Ca 0.16 -1.69 -0.42 0.00 -0.00 0.00 0.00 56.01 54.06 1h2i n LEU 167 Cb 0.81 -0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 44.07 1h2i n LEU 167 CO 0.16 0.58 1.09 -0.62 -0.00 0.00 0.00 177.39 178.60 1h2i s ASP 168 N -0.92 6.29 0.44 1.45 3.68 0.31 -4.93 116.67 123.00 1h2i s ASP 168 Ca 0.16 -0.24 0.23 0.00 2.13 0.00 0.00 52.55 54.83 1h2i s ASP 168 Cb 0.09 -2.54 1.22 0.00 -1.45 0.00 0.00 42.92 40.24 1h2i s ASP 168 CO 0.12 -1.64 1.80 0.11 0.13 0.00 0.00 175.17 175.70 1h2i h LYS 169 N 9.76 0.27 0.00 4.34 1.57 -1.91 0.20 116.57 130.81 1h2i h LYS 169 Ca -0.27 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.23 0.18 -0.57 -0.44 -0.57 0.00 0.00 179.45 179.28 1h2i h ASP 170 N 0.28 0.00 -0.03 0.86 3.32 -1.96 -0.36 116.42 118.53 1h2i h ASP 170 Ca 0.55 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.50 1h2i h ASP 170 Cb 1.62 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.18 1h2i h ASP 170 CO -0.20 0.57 -0.39 0.22 -1.72 0.00 0.00 179.24 177.72 1h2i h TYR 171 N 0.00 0.45 -0.34 4.55 3.20 -1.00 -2.59 116.97 121.23 1h2i h TYR 171 Ca -0.01 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 61.66 1h2i h TYR 171 Cb 1.03 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1h2i h TYR 171 CO 0.00 1.00 0.17 -0.07 -1.64 0.00 0.00 178.16 177.63 1h2i h LEU 172 N -0.23 0.26 -0.01 2.82 3.38 -1.07 -1.52 115.31 118.95 1h2i h LEU 172 Ca -0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1h2i h LEU 172 Cb 1.09 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1h2i h LEU 172 CO 0.08 0.19 -0.27 -0.09 0.09 0.00 0.00 178.44 178.44 1h2i h ARG 173 N 0.36 -0.40 0.00 1.13 2.43 -1.11 -0.90 114.38 115.89 1h2i h ARG 173 Ca 0.14 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1h2i h ARG 173 Cb 0.05 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1h2i h ARG 173 CO -0.10 -0.26 0.00 -1.13 -1.51 0.00 0.00 179.97 176.97 1h2i n SER 174 N -5.38 0.00 0.08 -3.80 3.41 -0.98 -1.91 113.62 105.03 1h2i n SER 174 Ca -0.05 0.21 -0.17 0.00 -0.26 0.00 0.00 58.87 58.60 1h2i n SER 174 Cb 0.30 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.44 -1.25 1.04 3.38 -0.12 -3.30 115.31 115.49 1h2i h LEU 175 Ca 0.00 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 1h2i h LEU 175 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1h2i h LEU 175 CO 0.00 1.47 -0.07 0.78 0.09 0.00 0.00 178.44 180.70 1h2i h ASN 176 N 0.08 0.40 0.00 -0.43 2.35 -0.73 -3.10 115.58 114.14 1h2i h ASN 176 Ca -0.23 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1h2i h ASN 176 Cb 2.02 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1h2i h ASN 176 CO 0.18 0.52 0.00 0.29 -1.65 0.00 0.00 177.43 176.77 1h2i n LYS 177 N -4.26 0.72 -4.20 0.81 5.02 -1.18 -4.77 118.16 110.31 1h2i n LYS 177 Ca 0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 1h2i n LYS 177 Cb 0.27 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 34.02 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 2.24 0.43 -0.35 1.43 -1.17 -5.08 118.68 116.18 1h2i s LEU 178 Ca 0.00 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1h2i s LEU 178 Cb 0.00 -0.48 -0.08 0.00 0.03 0.00 0.00 46.19 45.66 1h2i s LEU 178 CO 0.00 -0.07 1.32 -2.84 0.23 0.00 0.00 176.35 175.00 1h2i s PRO 179 N -1.53 3.83 1.24 1.29 0.02 -1.26 -4.99 135.00 133.61 1h2i s PRO 179 Ca -0.02 2.19 -0.18 0.00 0.02 0.00 0.00 61.00 63.00 1h2i s PRO 179 Cb -0.09 -2.67 0.27 0.00 0.02 0.00 0.00 34.50 32.02 1h2i s PRO 179 CO 0.02 -0.62 0.61 -2.13 -0.33 0.00 0.00 177.00 174.55 1h2i n ARG 180 N -0.07 -3.21 -3.44 5.54 0.63 -1.26 -5.04 116.66 109.80 1h2i n ARG 180 Ca 0.05 -0.94 -0.07 0.00 -0.92 0.00 0.00 57.85 55.97 1h2i n ARG 180 Cb 0.44 -1.82 -0.07 0.00 0.45 0.00 0.00 32.46 31.46 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 -4.24 0.38 0.50 -0.14 1.03 -1.26 -5.15 119.66 110.78 1h2i s GLN 181 Ca 0.58 0.81 -0.23 0.00 0.04 0.00 0.00 55.36 56.56 1h2i s GLN 181 Cb -0.13 -0.01 -0.07 0.00 0.03 0.00 0.00 33.01 32.83 1h2i s GLN 181 CO 0.54 -0.49 1.24 1.47 -2.54 0.00 0.00 175.29 175.52 1h2i n LEU 182 N 5.39 4.49 -4.67 2.60 -0.00 -1.26 -4.87 117.00 118.68 1h2i n LEU 182 Ca -0.05 1.01 -0.57 0.00 -0.00 0.00 0.00 56.01 56.40 1h2i n LEU 182 Cb 0.50 -1.51 -0.07 0.00 -0.00 0.00 0.00 43.42 42.34 1h2i n LEU 182 CO 0.03 -0.85 1.15 -2.65 -0.00 0.00 0.00 177.39 175.07 1h2i n PRO 183 N -0.52 1.00 -2.32 1.47 -0.02 -1.26 -4.92 135.00 128.43 1h2i n PRO 183 Ca 0.09 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 1h2i n PRO 183 Cb 0.43 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.40 3.74 0.06 2.45 0.20 -1.26 -5.01 118.68 121.27 1h2i s LEU 184 Ca 0.94 2.03 -0.12 0.00 0.69 0.00 0.00 54.13 57.68 1h2i s LEU 184 Cb -1.08 -4.57 -0.06 0.00 -0.43 0.00 0.00 46.19 40.05 1h2i s LEU 184 CO 0.61 -1.06 0.42 -1.61 -0.29 0.00 0.00 176.35 174.41 1h2i s GLU 185 N -3.39 3.83 -0.49 1.98 0.41 -1.26 -5.04 118.70 114.75 1h2i s GLU 185 Ca 0.69 0.29 -0.24 0.00 -0.41 0.00 0.00 54.97 55.30 1h2i s GLU 185 Cb -0.20 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.12 1h2i s GLU 185 CO 0.26 0.60 0.90 0.08 -0.49 0.00 0.00 175.26 176.60 1h2i s VAL 186 N -1.30 4.49 -1.15 2.63 1.01 -1.26 -4.97 120.40 119.85 1h2i s VAL 186 Ca 0.30 0.52 -0.23 0.00 0.00 0.00 0.00 61.98 62.57 1h2i s VAL 186 Cb -0.15 -4.44 -0.10 0.00 0.00 0.00 0.00 36.38 31.69 1h2i s VAL 186 CO 0.16 -0.90 1.96 -0.62 0.00 0.00 0.00 175.10 175.71 1h2i s ASP 187 N 2.42 4.86 0.00 3.32 3.68 -1.26 -4.80 116.67 124.88 1h2i s ASP 187 Ca 0.33 -1.49 0.00 0.00 2.13 0.00 0.00 52.55 53.52 1h2i s ASP 187 Cb -0.11 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.77 1h2i s ASP 187 CO 0.23 -3.24 1.17 0.18 0.13 0.00 0.00 175.17 173.64 1h2i n LEU 188 N 14.96 3.36 0.00 -1.34 4.77 -1.26 -4.27 117.00 133.23 1h2i n LEU 188 Ca 0.44 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 1h2i n LEU 188 Cb 0.47 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1h2i n LEU 188 CO 0.66 0.59 0.39 0.41 -1.33 0.00 0.00 177.39 178.11 1h2i n THR 189 N 0.78 0.00 -0.99 -5.08 -1.04 -1.26 -3.65 114.28 103.03 1h2i n THR 189 Ca 0.00 1.27 -0.17 0.00 -2.04 0.00 0.00 64.05 63.12 1h2i n THR 189 Cb 0.47 -2.25 -0.01 0.00 -1.82 0.00 0.00 70.33 66.73 1h2i n THR 189 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1h2i n LYS 190 N -1.60 1.86 -2.44 -2.82 5.02 -1.26 -4.97 118.16 111.95 1h2i n LYS 190 Ca 0.00 -1.50 -0.34 0.00 -2.02 0.00 0.00 58.31 54.46 1h2i n LYS 190 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i s ALA 191 N -1.33 2.86 -0.07 7.82 0.00 -1.24 -4.96 121.76 124.84 1h2i s ALA 191 Ca 0.36 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1h2i s ALA 191 Cb 0.25 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 1h2i s ALA 191 CO -0.05 -0.40 1.76 0.21 0.00 0.00 0.00 175.76 177.28 1h2i s LYS 192 N -3.48 4.03 0.00 0.00 2.20 -1.26 -4.82 119.74 116.42 1h2i s LYS 192 Ca 0.66 2.18 0.05 0.00 -0.36 0.00 0.00 55.97 58.50 1h2i s LYS 192 Cb -0.15 -4.06 0.05 0.00 -1.51 0.00 0.00 37.83 32.16 1h2i s LYS 192 CO 0.24 -1.03 0.71 0.54 -0.36 0.00 0.00 175.35 175.45 1h2i n ARG 193 N 7.42 0.05 -4.16 4.03 1.74 -1.26 -5.03 116.66 119.45 1h2i n ARG 193 Ca 0.19 -0.91 -0.10 0.00 -0.77 0.00 0.00 57.85 56.26 1h2i n ARG 193 Cb 0.43 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.50 0.88 -0.05 5.56 -0.21 -1.26 -5.07 119.66 119.00 1h2i s GLN 194 Ca 0.07 -1.39 -0.01 0.00 0.02 0.00 0.00 55.36 54.05 1h2i s GLN 194 Cb 0.05 0.02 -0.00 0.00 1.00 0.00 0.00 33.01 34.07 1h2i s GLN 194 CO 0.07 -0.15 -0.02 -0.44 -2.12 0.00 0.00 175.29 172.63 1h2i h ASP 195 N 2.91 0.00 -0.68 5.90 3.45 -2.04 -3.46 116.42 122.49 1h2i h ASP 195 Ca -0.35 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.54 1h2i h ASP 195 Cb 1.18 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.97 1h2i h ASP 195 CO 0.63 0.28 0.27 -0.11 -1.57 0.00 0.00 179.24 178.73 1h2i n LEU 196 N -3.38 0.43 -3.28 1.55 -0.00 -1.26 -4.94 117.00 106.12 1h2i n LEU 196 Ca -0.01 0.80 -0.25 0.00 -0.00 0.00 0.00 56.01 56.55 1h2i n LEU 196 Cb 0.03 -0.61 -0.08 0.00 -0.00 0.00 0.00 43.42 42.76 1h2i n LEU 196 CO 0.01 -0.92 -0.20 -0.62 -0.00 0.00 0.00 177.39 175.66 1h2i n GLU 197 N 1.93 1.15 -0.48 1.96 1.02 -1.26 -5.00 120.64 119.96 1h2i n GLU 197 Ca 0.18 -3.61 0.40 0.00 -0.02 0.00 0.00 57.16 54.11 1h2i n GLU 197 Cb 0.00 -1.54 0.67 0.00 -0.02 0.00 0.00 31.44 30.56 1h2i n GLU 197 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1h2i n PRO 198 N 1.40 -0.03 0.04 3.49 -0.02 -1.26 -1.41 135.00 137.21 1h2i n PRO 198 Ca 0.24 1.19 -0.05 0.00 -2.02 0.00 0.00 63.50 62.86 1h2i n PRO 198 Cb 0.49 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1h2i n PRO 198 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h2i h SER 199 N 0.00 -0.41 0.36 2.55 4.64 -1.99 0.64 113.55 119.34 1h2i h SER 199 Ca 0.85 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 62.20 1h2i h SER 199 Cb 2.83 0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 65.06 1h2i h SER 199 CO -0.40 -0.16 -0.21 0.58 -0.87 0.00 0.00 176.83 175.77 1h2i h VAL 200 N -0.22 0.56 -1.03 0.95 2.07 -1.68 -2.64 116.25 114.25 1h2i h VAL 200 Ca -0.01 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.78 1h2i h VAL 200 Cb 0.21 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1h2i h VAL 200 CO -0.06 0.00 0.68 -0.08 0.02 0.00 0.00 177.57 178.13 1h2i h GLU 201 N -0.55 0.31 -0.17 1.57 4.57 -1.37 0.42 114.58 119.36 1h2i h GLU 201 Ca -0.04 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 1h2i h GLU 201 Cb 0.45 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1h2i h GLU 201 CO 0.05 0.21 -0.73 1.49 -1.18 0.00 0.00 179.01 178.84 1h2i h GLU 202 N 0.32 0.77 -0.15 1.92 4.81 -0.51 -2.67 114.58 119.07 1h2i h GLU 202 Ca 0.56 -0.60 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1h2i h GLU 202 Cb 1.57 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.06 1h2i h GLU 202 CO -0.22 1.22 -0.25 0.00 -0.73 0.00 0.00 179.01 179.02 1h2i h ALA 203 N 0.62 0.23 -0.18 2.92 0.00 -0.95 -2.85 119.26 119.06 1h2i h ALA 203 Ca -0.04 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1h2i h ALA 203 Cb 1.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1h2i h ALA 203 CO 0.15 0.21 0.17 -0.09 0.00 0.00 0.00 179.25 179.69 1h2i h ARG 204 N 0.05 0.00 0.00 0.00 2.43 -1.03 0.26 114.38 116.08 1h2i h ARG 204 Ca 0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1h2i h ARG 204 Cb 0.84 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1h2i h ARG 204 CO 0.06 0.00 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.48 1h2i h TYR 205 N 0.00 0.00 -0.01 2.20 3.20 -1.23 -3.03 116.97 118.11 1h2i h TYR 205 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1h2i h TYR 205 Cb 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1h2i h TYR 205 CO 0.00 0.12 -0.75 0.09 -1.64 0.00 0.00 178.16 175.97 1h2i n ASN 206 N -3.16 1.41 -1.89 -2.11 3.02 0.71 -4.02 115.26 109.23 1h2i n ASN 206 Ca 0.02 -1.21 -0.12 0.00 -0.03 0.00 0.00 54.58 53.25 1h2i n ASN 206 Cb 0.51 0.78 0.20 0.00 -0.61 0.00 0.00 39.78 40.65 1h2i n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h2i n SER 207 N -0.86 3.97 -1.01 6.41 3.41 -0.07 -3.75 113.62 121.72 1h2i n SER 207 Ca 0.06 -3.14 0.05 0.00 -0.26 0.00 0.00 58.87 55.58 1h2i n SER 207 Cb 0.38 -0.74 0.12 0.00 -0.26 0.00 0.00 64.21 63.71 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88