#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 -2.88 2.52 -0.01 0.00 7.35 -1.26 -1.65 117.46 121.53 1h2i n PHE 26 Ca 0.08 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1h2i n PHE 26 Cb 0.27 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.57 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 2.18 1.26 0.00 7.13 0.00 -0.28 -4.86 105.19 110.62 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 2.53 -2.08 1.61 6.02 -0.66 -3.92 117.38 118.89 1h2i n GLN 28 Ca 0.00 -1.34 -0.29 0.00 -0.01 0.00 0.00 57.00 55.36 1h2i n GLN 28 Cb 0.00 -0.92 0.04 0.00 1.02 0.00 0.00 30.24 30.38 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 -5.23 1.12 0.30 0.00 0.74 -1.26 -4.24 119.66 111.08 1h2i s GLN 30 Ca 0.57 -0.23 -0.29 0.00 0.05 0.00 0.00 55.36 55.45 1h2i s GLN 30 Cb -0.11 -1.02 -0.10 0.00 1.10 0.00 0.00 33.01 32.89 1h2i s GLN 30 CO 0.49 -0.01 1.35 0.71 -0.55 0.00 0.00 175.29 177.28 1h2i s TYR 31 N 0.71 3.05 0.56 1.67 1.51 -1.26 -4.99 117.35 118.59 1h2i s TYR 31 Ca -0.11 1.28 -0.17 0.00 -1.01 0.00 0.00 57.07 57.06 1h2i s TYR 31 Cb -0.14 -3.72 -0.05 0.00 -0.11 0.00 0.00 41.96 37.93 1h2i s TYR 31 CO 0.01 -2.12 1.04 0.95 -1.11 0.00 0.00 175.55 174.32 1h2i s THR 32 N -0.69 3.92 0.27 -0.71 -4.23 -1.26 -4.79 115.64 108.16 1h2i s THR 32 Ca 0.53 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1h2i s THR 32 Cb -0.40 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.24 1h2i s THR 32 CO 0.49 -0.47 1.74 0.00 -0.54 0.00 0.00 174.62 175.84 1h2i h ALA 33 N 0.78 1.32 -0.07 3.99 0.00 -1.99 0.84 119.26 124.13 1h2i h ALA 33 Ca -0.47 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h2i h ALA 33 Cb 1.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1h2i h ALA 33 CO 0.58 -0.16 0.03 1.49 0.00 0.00 0.00 179.25 181.19 1h2i h GLU 34 N 0.56 0.11 -0.51 0.00 4.81 -1.99 0.65 114.58 118.21 1h2i h GLU 34 Ca 0.49 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.61 1h2i h GLU 34 Cb 0.77 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1h2i h GLU 34 CO -0.41 0.25 -0.04 1.49 -0.73 0.00 0.00 179.01 179.58 1h2i h GLU 35 N -0.06 0.92 -0.17 1.92 4.81 -1.82 -1.70 114.58 118.48 1h2i h GLU 35 Ca 0.02 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1h2i h GLU 35 Cb 0.19 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1h2i h GLU 35 CO -0.00 0.96 -0.07 -0.92 -0.73 0.00 0.00 179.01 178.25 1h2i h TYR 36 N 0.78 -0.16 -0.81 0.92 3.20 -0.66 -1.31 116.97 118.94 1h2i h TYR 36 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1h2i h TYR 36 Cb 0.57 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1h2i h TYR 36 CO 0.04 -0.11 0.48 0.37 -1.64 0.00 0.00 178.16 177.30 1h2i h GLN 37 N -0.04 1.10 -0.36 1.82 4.15 -0.74 0.20 115.11 121.24 1h2i h GLN 37 Ca 0.09 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1h2i h GLN 37 Cb 0.18 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1h2i h GLN 37 CO -0.20 0.78 0.13 0.00 -1.93 0.00 0.00 178.83 177.61 1h2i h ALA 38 N 1.25 0.47 -0.51 3.38 0.00 -0.92 -2.51 119.26 120.42 1h2i h ALA 38 Ca 0.29 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 38 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1h2i h ALA 38 CO -0.05 0.09 -0.14 0.82 0.00 0.00 0.00 179.25 179.97 1h2i h ILE 39 N 0.43 1.27 -0.43 0.00 2.04 -1.07 0.86 117.51 120.61 1h2i h ILE 39 Ca 0.12 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 64.75 1h2i h ILE 39 Cb 0.21 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1h2i h ILE 39 CO -0.01 0.45 0.07 1.56 0.00 0.00 0.00 178.15 180.23 1h2i h GLN 40 N 0.86 0.20 -0.09 2.37 1.08 -0.82 0.12 115.11 118.83 1h2i h GLN 40 Ca 0.13 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1h2i h GLN 40 Cb 0.71 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1h2i h GLN 40 CO 0.05 0.13 0.01 0.87 -0.95 0.00 0.00 178.83 178.95 1h2i h LYS 41 N 0.20 0.15 -0.76 1.46 1.57 -1.31 -3.17 116.57 114.71 1h2i h LYS 41 Ca 0.21 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1h2i h LYS 41 Cb 0.27 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1h2i h LYS 41 CO -0.29 0.37 0.50 0.00 -0.57 0.00 0.00 179.45 179.46 1h2i h ALA 42 N 0.78 1.58 0.00 3.86 0.00 -0.28 -2.06 119.26 123.14 1h2i h ALA 42 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 42 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1h2i h ALA 42 CO 0.00 0.34 -0.06 -0.07 0.00 0.00 0.00 179.25 179.46 1h2i h LEU 43 N 0.90 0.00 -1.29 0.00 3.38 -0.74 -2.82 115.31 114.73 1h2i h LEU 43 Ca 0.31 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1h2i h LEU 43 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1h2i h LEU 43 CO -0.09 0.06 -0.31 0.03 0.09 0.00 0.00 178.44 178.22 1h2i h ARG 44 N 0.00 0.00 -6.86 1.13 3.08 -1.41 0.37 114.38 110.69 1h2i h ARG 44 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1h2i h ARG 44 Cb 0.34 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.50 1h2i h ARG 44 CO 0.01 0.31 0.60 1.04 -1.07 0.00 0.00 179.97 180.86 1h2i n GLN 45 N -3.75 2.23 -3.05 0.04 6.02 -1.07 -4.59 117.38 113.21 1h2i n GLN 45 Ca -0.01 0.79 -0.28 0.00 -0.01 0.00 0.00 57.00 57.48 1h2i n GLN 45 Cb 0.41 -2.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.16 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 -2.13 3.65 -0.05 -1.09 1.81 -1.26 -1.04 118.95 118.85 1h2i s ARG 46 Ca 0.57 0.16 -0.07 0.00 -1.72 0.00 0.00 55.73 54.68 1h2i s ARG 46 Cb -0.51 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.44 1h2i s ARG 46 CO 0.61 0.05 0.21 -0.48 -0.68 0.00 0.00 175.30 175.01 1h2i s LEU 47 N -3.93 4.39 1.21 2.53 2.34 -1.26 -4.92 118.68 119.04 1h2i s LEU 47 Ca 0.47 0.51 -0.17 0.00 0.06 0.00 0.00 54.13 55.00 1h2i s LEU 47 Cb -0.10 -2.41 0.29 0.00 -0.56 0.00 0.00 46.19 43.41 1h2i s LEU 47 CO 0.34 0.33 1.04 -0.83 -1.06 0.00 0.00 176.35 176.16 1h2i s GLY 48 N -1.42 1.52 0.58 -3.48 0.00 -1.26 -4.89 107.32 98.38 1h2i s GLY 48 Ca 0.22 -0.62 0.28 0.00 0.00 0.00 0.00 44.72 44.60 1h2i s GLY 48 CO 0.11 0.21 2.09 -2.55 0.00 0.00 0.00 173.10 172.97 1h2i h PRO 49 N -2.69 0.00 0.00 2.90 0.11 -1.94 -2.11 132.00 128.27 1h2i h PRO 49 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1h2i h PRO 49 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1h2i h PRO 49 CO 0.42 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.36 1h2i n GLU 50 N -3.85 0.23 -0.08 1.05 0.00 -1.26 -2.52 120.64 114.21 1h2i n GLU 50 Ca 0.02 0.13 -0.08 0.00 0.00 0.00 0.00 57.16 57.23 1h2i n GLU 50 Cb 0.33 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.24 0.00 -2.98 -1.84 4.02 -0.79 -4.99 117.16 109.33 1h2i n TYR 51 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.56 1h2i n TYR 51 Cb 0.10 -0.79 -0.05 0.00 -0.02 0.00 0.00 39.34 38.58 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 -2.39 4.78 0.36 -0.72 -1.09 -1.05 -4.38 121.20 116.71 1h2i s ILE 52 Ca -0.08 1.62 0.04 0.00 -2.23 0.00 0.00 60.65 59.99 1h2i s ILE 52 Cb 0.05 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1h2i s ILE 52 CO 0.66 0.34 0.07 -0.94 -1.23 0.00 0.00 174.94 173.84 1h2i s SER 53 N 0.09 2.62 0.10 3.58 1.04 -0.09 -4.93 113.70 116.10 1h2i s SER 53 Ca 0.39 -1.48 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 1h2i s SER 53 Cb -0.20 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1h2i s SER 53 CO 0.22 -0.72 0.23 -0.94 0.98 0.00 0.00 173.24 173.02 1h2i s SER 54 N -3.55 0.06 0.24 7.02 1.04 -1.26 -1.51 113.70 115.74 1h2i s SER 54 Ca 0.31 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1h2i s SER 54 Cb 0.07 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1h2i s SER 54 CO 0.14 -0.75 0.16 0.00 0.98 0.00 0.00 173.24 173.77 1h2i s ARG 55 N -3.85 1.38 -0.26 4.02 1.70 -0.73 -4.95 118.95 116.25 1h2i s ARG 55 Ca 0.05 -1.75 -0.14 0.00 -0.47 0.00 0.00 55.73 53.42 1h2i s ARG 55 Cb 0.04 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1h2i s ARG 55 CO -0.11 -0.43 0.33 -1.64 -1.08 0.00 0.00 175.30 172.37 1h2i s MET 56 N -3.97 4.02 0.71 3.89 -1.94 -1.26 -1.56 119.30 119.19 1h2i s MET 56 Ca 0.39 -0.03 -0.11 0.00 -1.71 0.00 0.00 55.69 54.23 1h2i s MET 56 Cb 0.06 -3.64 0.02 0.00 2.01 0.00 0.00 34.83 33.28 1h2i s MET 56 CO 0.16 -0.22 1.07 0.00 -0.01 0.00 0.00 175.02 176.02 1h2i s ALA 57 N 1.89 2.69 0.40 3.03 0.00 0.44 -4.88 121.76 125.33 1h2i s ALA 57 Ca 0.13 -0.13 0.12 0.00 0.00 0.00 0.00 51.96 52.08 1h2i s ALA 57 Cb -0.16 -3.10 0.93 0.00 0.00 0.00 0.00 23.12 20.79 1h2i s ALA 57 CO 0.10 -1.24 1.93 0.78 0.00 0.00 0.00 175.76 177.33 1h2i h GLY 58 N -0.73 0.83 -0.82 0.00 0.00 -1.98 0.43 103.07 100.80 1h2i h GLY 58 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1h2i h GLY 58 CO 0.60 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1h2i n GLY 59 N -1.49 0.73 3.56 4.60 0.00 -1.26 -4.76 105.19 106.58 1h2i n GLY 59 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.16 -0.53 3.06 -0.02 0.00 0.14 -4.98 105.19 103.01 1h2i n GLY 60 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.28 1.16 0.35 1.61 -2.07 -1.20 -4.89 119.66 108.34 1h2i s GLN 61 Ca 0.56 -0.43 -0.28 0.00 -1.82 0.00 0.00 55.36 53.39 1h2i s GLN 61 Cb -0.25 -1.07 -0.12 0.00 -1.09 0.00 0.00 33.01 30.47 1h2i s GLN 61 CO 0.69 0.20 1.39 1.17 -1.32 0.00 0.00 175.29 177.42 1h2i n LYS 62 N 3.05 2.38 -3.79 9.60 4.81 -1.26 -0.42 118.16 132.53 1h2i n LYS 62 Ca -0.17 0.83 -0.24 0.00 -0.87 0.00 0.00 58.31 57.87 1h2i n LYS 62 Cb 0.54 -2.49 -0.17 0.00 0.02 0.00 0.00 35.03 32.93 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 -0.99 0.53 0.24 3.15 1.01 -0.60 -4.84 120.40 118.89 1h2i s VAL 63 Ca 0.56 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1h2i s VAL 63 Cb -0.53 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 1h2i s VAL 63 CO 0.62 0.21 0.60 0.00 0.00 0.00 0.00 175.10 176.53 1h2i s TYR 65 N -1.78 -0.26 -0.09 0.00 -0.85 -0.57 -5.00 117.35 108.81 1h2i s TYR 65 Ca 0.47 0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 57.04 1h2i s TYR 65 Cb -0.12 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1h2i s TYR 65 CO 0.20 -0.73 -0.04 0.42 -1.52 0.00 0.00 175.55 173.88 1h2i s ILE 66 N -3.28 3.96 0.28 -3.49 1.01 -1.26 -0.92 121.20 117.50 1h2i s ILE 66 Ca 0.08 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 1h2i s ILE 66 Cb -0.01 -2.66 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 1h2i s ILE 66 CO -0.04 0.58 1.03 -1.61 0.00 0.00 0.00 174.94 174.91 1h2i s GLU 67 N -0.65 4.68 0.26 2.79 2.02 -1.26 -4.92 118.70 121.62 1h2i s GLU 67 Ca 0.10 1.65 -0.05 0.00 0.02 0.00 0.00 54.97 56.69 1h2i s GLU 67 Cb -0.12 -3.16 0.50 0.00 0.10 0.00 0.00 34.13 31.46 1h2i s GLU 67 CO 0.02 0.30 1.62 0.78 0.02 0.00 0.00 175.26 178.00 1h2i h GLY 68 N 3.81 0.92 2.00 -1.39 0.00 -1.99 0.17 103.07 106.60 1h2i h GLY 68 Ca -0.46 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1h2i h GLY 68 CO 0.67 -0.33 -0.11 1.12 0.00 0.00 0.00 176.54 177.88 1h2i h HIS 69 N 0.08 0.00 -0.18 5.60 2.07 -1.99 -0.08 115.15 120.65 1h2i h HIS 69 Ca 0.45 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.82 1h2i h HIS 69 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 1h2i h HIS 69 CO -0.45 0.11 -0.46 0.00 -3.07 0.00 0.00 177.93 174.06 1h2i h ARG 70 N 0.00 0.64 -0.66 5.12 2.47 -1.06 -2.40 114.38 118.49 1h2i h ARG 70 Ca -0.00 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.24 1h2i h ARG 70 Cb 0.25 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 1h2i h ARG 70 CO 0.01 1.06 0.27 0.28 0.56 0.00 0.00 179.97 182.16 1h2i h VAL 71 N 0.32 1.24 -0.59 2.04 2.07 -0.84 0.44 116.25 120.93 1h2i h VAL 71 Ca -0.01 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1h2i h VAL 71 Cb 1.08 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1h2i h VAL 71 CO 0.10 0.29 0.36 0.40 0.02 0.00 0.00 177.57 178.75 1h2i h ILE 72 N 0.93 1.08 -0.37 4.57 2.04 -1.00 -0.67 117.51 124.10 1h2i h ILE 72 Ca 0.22 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1h2i h ILE 72 Cb 0.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1h2i h ILE 72 CO -0.02 0.13 -0.22 0.78 0.00 0.00 0.00 178.15 178.82 1h2i h ASN 73 N 0.72 0.74 -0.05 1.72 2.35 -1.01 -0.63 115.58 119.43 1h2i h ASN 73 Ca 0.23 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1h2i h ASN 73 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1h2i h ASN 73 CO -0.09 0.95 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.55 1h2i h LEU 74 N 0.64 -0.06 -0.20 1.61 3.38 -0.49 -0.43 115.31 119.75 1h2i h LEU 74 Ca 0.09 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1h2i h LEU 74 Cb 0.72 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1h2i h LEU 74 CO 0.06 -0.03 0.05 0.00 0.09 0.00 0.00 178.44 178.61 1h2i h ALA 75 N 1.03 0.21 -0.87 1.53 0.00 -0.87 0.18 119.26 120.48 1h2i h ALA 75 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h2i h ALA 75 Cb 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1h2i h ALA 75 CO -0.05 -0.38 0.56 -0.91 0.00 0.00 0.00 179.25 178.46 1h2i h ASN 76 N 0.13 1.02 0.19 0.00 2.35 -0.91 0.74 115.58 119.10 1h2i h ASN 76 Ca 0.09 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 1h2i h ASN 76 Cb 0.08 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1h2i h ASN 76 CO -0.11 0.76 -0.64 -0.33 -1.65 0.00 0.00 177.43 175.45 1h2i h GLU 77 N 1.19 0.43 -0.18 0.81 4.39 -0.72 0.36 114.58 120.85 1h2i h GLU 77 Ca 0.32 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1h2i h GLU 77 Cb -0.10 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1h2i h GLU 77 CO -0.06 0.93 -0.29 1.98 -1.16 0.00 0.00 179.01 180.41 1h2i h MET 78 N 0.31 0.52 -0.00 2.33 4.05 -0.21 -3.37 114.93 118.56 1h2i h MET 78 Ca -0.01 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1h2i h MET 78 Cb 1.20 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1h2i h MET 78 CO 0.11 0.91 -0.31 1.19 0.23 0.00 0.00 176.91 179.05 1h2i n PHE 79 N -4.37 0.00 0.00 1.39 3.72 0.21 -4.98 117.46 113.43 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 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.09 1.21 0.33 1.37 0.00 0.13 -3.35 105.19 105.96 1h2i n GLY 80 Ca 0.02 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.28 1.61 -0.00 -1.90 -0.20 116.97 116.20 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 3.91 -0.20 0.10 2.04 -1.26 -4.57 115.26 111.84 1h2i n ASN 82 Ca -0.01 -2.95 0.07 0.00 -0.44 0.00 0.00 54.58 51.26 1h2i n ASN 82 Cb 0.23 -0.53 -0.04 0.00 -2.53 0.00 0.00 39.78 36.91 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 -0.39 -0.20 3.12 4.83 0.00 -0.09 -4.72 105.19 107.74 1h2i n GLY 83 Ca 0.21 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -2.08 0.24 0.20 1.61 1.48 -1.26 -1.47 118.94 117.68 1h2i s TRP 84 Ca 0.10 -0.59 -0.09 0.00 -1.06 0.00 0.00 56.10 54.45 1h2i s TRP 84 Cb 0.12 -0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.25 1h2i s TRP 84 CO 0.48 -0.38 0.34 0.00 -4.06 0.00 0.00 176.95 173.33 1h2i s ALA 85 N -2.92 0.07 -0.05 2.67 0.00 0.15 -4.96 121.76 116.72 1h2i s ALA 85 Ca -0.02 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.71 1h2i s ALA 85 Cb 0.01 1.03 0.05 0.00 0.00 0.00 0.00 23.12 24.20 1h2i s ALA 85 CO -0.06 -0.72 0.51 -3.38 0.00 0.00 0.00 175.76 172.11 1h2i s HIS 86 N -4.02 -0.46 0.14 0.00 -3.43 -1.26 0.05 115.29 106.32 1h2i s HIS 86 Ca 0.23 0.82 -0.00 0.00 -0.80 0.00 0.00 55.06 55.30 1h2i s HIS 86 Cb 0.02 0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 31.39 1h2i s HIS 86 CO 0.05 -0.48 0.04 -1.54 -2.00 0.00 0.00 174.74 170.82 1h2i s SER 87 N -1.06 0.55 -0.45 7.38 1.04 -0.21 -4.98 113.70 115.98 1h2i s SER 87 Ca -0.11 -1.20 -0.12 0.00 0.48 0.00 0.00 55.95 55.00 1h2i s SER 87 Cb -0.03 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.42 1h2i s SER 87 CO 0.06 -0.69 0.33 -0.63 0.98 0.00 0.00 173.24 173.29 1h2i s ILE 88 N -3.95 4.75 0.35 -1.02 1.01 -1.26 -1.25 121.20 119.83 1h2i s ILE 88 Ca 0.24 -1.22 0.13 0.00 0.00 0.00 0.00 60.65 59.80 1h2i s ILE 88 Cb 0.07 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.75 1h2i s ILE 88 CO 0.02 -0.54 1.79 0.71 0.00 0.00 0.00 174.94 176.93 1h2i h THR 89 N 5.91 1.28 -1.33 2.92 1.35 -0.94 -3.46 112.91 118.64 1h2i h THR 89 Ca -0.26 -1.42 0.15 0.00 -0.55 0.00 0.00 66.41 64.34 1h2i h THR 89 Cb 1.10 1.77 -0.25 0.00 -1.73 0.00 0.00 68.15 69.03 1h2i h THR 89 CO 0.82 0.40 0.73 -1.58 -0.25 0.00 0.00 175.52 175.64 1h2i s GLN 90 N -4.08 0.34 -0.05 4.72 0.74 -1.19 -5.00 119.66 115.14 1h2i s GLN 90 Ca -0.02 0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.50 1h2i s GLN 90 Cb 0.14 0.16 0.02 0.00 1.10 0.00 0.00 33.01 34.43 1h2i s GLN 90 CO 0.73 -0.10 -0.04 -1.14 -0.55 0.00 0.00 175.29 174.18 1h2i s GLN 91 N -0.97 0.86 -0.08 1.67 0.74 -1.26 -0.49 119.66 120.13 1h2i s GLN 91 Ca 0.03 -0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.36 1h2i s GLN 91 Cb -0.01 -0.89 0.01 0.00 1.10 0.00 0.00 33.01 33.23 1h2i s GLN 91 CO -0.03 -0.10 -0.13 1.21 -0.55 0.00 0.00 175.29 175.69 1h2i s ASN 92 N 1.01 2.03 -0.31 6.67 3.84 0.03 -4.99 114.94 123.21 1h2i s ASN 92 Ca -0.10 -0.34 -0.28 0.00 0.21 0.00 0.00 52.86 52.36 1h2i s ASN 92 Cb -0.14 -0.91 0.01 0.00 -0.55 0.00 0.00 41.25 39.66 1h2i s ASN 92 CO -0.00 0.02 1.01 -0.69 -2.79 0.00 0.00 177.10 174.65 1h2i s VAL 93 N 0.82 4.57 0.13 -5.21 1.01 -1.26 -1.46 120.40 119.00 1h2i s VAL 93 Ca -0.11 1.63 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 1h2i s VAL 93 Cb -0.15 -4.36 -0.13 0.00 0.00 0.00 0.00 36.38 31.74 1h2i s VAL 93 CO 0.02 -0.42 1.36 0.44 0.00 0.00 0.00 175.10 176.50 1h2i h ASP 94 N 8.07 0.80 -4.05 3.32 3.45 -1.07 -3.48 116.42 123.46 1h2i h ASP 94 Ca -0.21 -0.51 0.16 0.00 0.43 0.00 0.00 57.03 56.90 1h2i h ASP 94 Cb 1.07 -0.24 -0.21 0.00 -0.56 0.00 0.00 39.33 39.39 1h2i h ASP 94 CO 1.00 1.29 0.69 0.72 -1.57 0.00 0.00 179.24 181.37 1h2i s PHE 95 N -3.75 -0.24 -0.27 4.55 -0.12 -1.18 -4.99 117.98 111.98 1h2i s PHE 95 Ca -0.09 0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 57.07 1h2i s PHE 95 Cb 0.09 0.49 0.09 0.00 -0.63 0.00 0.00 43.02 43.07 1h2i s PHE 95 CO 0.88 -0.28 0.10 0.08 -0.05 0.00 0.00 175.22 175.95 1h2i s VAL 96 N -1.77 0.37 -0.07 -2.49 1.01 -1.26 -2.62 120.40 113.57 1h2i s VAL 96 Ca 0.04 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1h2i s VAL 96 Cb -0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1h2i s VAL 96 CO -0.04 -0.60 -0.06 -1.81 0.00 0.00 0.00 175.10 172.59 1h2i s ASP 97 N 1.89 4.73 -0.30 3.32 1.01 0.69 -4.95 116.67 123.06 1h2i s ASP 97 Ca 0.07 -0.00 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 1h2i s ASP 97 Cb -0.17 -1.21 0.06 0.00 1.01 0.00 0.00 42.92 42.62 1h2i s ASP 97 CO -0.26 0.36 -0.00 -0.22 0.21 0.00 0.00 175.17 175.25 1h2i s LEU 98 N -0.86 3.97 0.00 1.23 2.96 -1.26 0.38 118.68 125.10 1h2i s LEU 98 Ca 0.13 -1.42 0.07 0.00 -0.22 0.00 0.00 54.13 52.69 1h2i s LEU 98 Cb -0.11 -1.68 0.11 0.00 0.50 0.00 0.00 46.19 45.01 1h2i s LEU 98 CO 0.02 -0.28 0.91 0.59 -1.32 0.00 0.00 176.35 176.27 1h2i n ASN 99 N 4.56 2.01 0.00 3.68 5.03 -0.81 -4.97 115.26 124.76 1h2i n ASN 99 Ca -0.11 -1.59 0.00 0.00 0.87 0.00 0.00 54.58 53.75 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 0.30 0.00 -0.00 6.41 3.02 -1.26 -4.91 115.26 118.82 1h2i n ASN 100 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1h2i n ASN 100 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1h2i n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h2i n GLY 101 N 0.00 3.04 3.60 7.41 0.00 -1.26 -5.03 105.19 112.95 1h2i n GLY 101 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.06 2.18 -0.06 1.61 1.02 -1.26 -4.52 119.74 117.65 1h2i s LYS 102 Ca 0.01 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.76 1h2i s LYS 102 Cb 0.01 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1h2i s LYS 102 CO 0.00 0.44 0.04 -0.06 -0.92 0.00 0.00 175.35 174.85 1h2i s PHE 103 N -1.73 3.23 -0.21 3.18 0.40 0.16 -1.92 117.98 121.08 1h2i s PHE 103 Ca 0.26 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1h2i s PHE 103 Cb -0.09 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.71 1h2i s PHE 103 CO 0.16 0.52 -0.12 0.71 0.70 0.00 0.00 175.22 177.19 1h2i s TYR 104 N -1.00 2.69 -0.06 0.36 1.51 0.16 -1.48 117.35 119.52 1h2i s TYR 104 Ca 0.17 -1.79 0.03 0.00 -1.01 0.00 0.00 57.07 54.47 1h2i s TYR 104 Cb -0.12 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 1h2i s TYR 104 CO 0.06 -0.79 -0.16 0.08 -1.11 0.00 0.00 175.55 173.64 1h2i s VAL 105 N 1.31 1.36 -0.12 0.71 1.01 0.26 -0.22 120.40 124.70 1h2i s VAL 105 Ca -0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.33 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 -0.18 -0.83 0.00 0.00 0.00 175.10 174.41 1h2i s GLY 106 N 0.32 1.18 -0.01 4.51 0.00 -1.08 -1.64 107.32 110.61 1h2i s GLY 106 Ca -0.10 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1h2i s GLY 106 CO 0.03 0.14 -0.11 0.14 0.00 0.00 0.00 173.10 173.31 1h2i s VAL 107 N 0.95 0.86 0.14 1.40 1.01 -0.38 -0.37 120.40 124.01 1h2i s VAL 107 Ca -0.06 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.54 1h2i s VAL 107 Cb -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1h2i s VAL 107 CO -0.02 0.23 -0.26 0.00 0.00 0.00 0.00 175.10 175.04 1h2i s ALA 109 N -1.14 0.45 -0.28 0.00 0.00 -0.54 -0.79 121.76 119.46 1h2i s ALA 109 Ca 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 1h2i s ALA 109 Cb -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1h2i s ALA 109 CO 0.07 0.09 0.04 -0.06 0.00 0.00 0.00 175.76 175.90 1h2i s PHE 110 N -0.27 3.12 -0.16 0.00 0.40 0.36 -0.60 117.98 120.84 1h2i s PHE 110 Ca 0.01 -1.15 -0.02 0.00 -0.60 0.00 0.00 56.93 55.16 1h2i s PHE 110 Cb -0.03 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 1h2i s PHE 110 CO -0.00 -0.62 -0.07 0.08 0.70 0.00 0.00 175.22 175.31 1h2i s VAL 111 N 1.45 3.50 -0.24 -0.44 1.01 -0.71 -0.18 120.40 124.78 1h2i s VAL 111 Ca 0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1h2i s VAL 111 Cb -0.17 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1h2i s VAL 111 CO 0.00 0.49 0.02 -0.60 0.00 0.00 0.00 175.10 175.02 1h2i s ARG 112 N 0.58 3.54 -0.01 2.72 3.52 -0.38 -1.98 118.95 126.94 1h2i s ARG 112 Ca -0.05 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1h2i s ARG 112 Cb -0.15 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1h2i s ARG 112 CO 0.03 -0.19 0.02 0.54 -0.81 0.00 0.00 175.30 174.88 1h2i s VAL 113 N 1.56 4.28 0.03 7.11 0.11 0.02 -1.05 120.40 132.47 1h2i s VAL 113 Ca 0.06 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 1h2i s VAL 113 Cb -0.15 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 1h2i s VAL 113 CO 0.01 0.39 -0.07 -1.58 -3.33 0.00 0.00 175.10 170.52 1h2i s GLN 114 N -1.53 0.51 0.33 1.54 0.74 0.11 -1.84 119.66 119.52 1h2i s GLN 114 Ca 0.20 -0.66 0.04 0.00 0.05 0.00 0.00 55.36 54.99 1h2i s GLN 114 Cb -0.12 -0.32 -0.02 0.00 1.10 0.00 0.00 33.01 33.66 1h2i s GLN 114 CO 0.10 0.06 0.48 -0.51 -0.55 0.00 0.00 175.29 174.88 1h2i s LEU 115 N -1.33 4.01 0.30 3.68 1.02 -0.38 0.34 118.68 126.33 1h2i s LEU 115 Ca -0.08 0.04 0.21 0.00 0.02 0.00 0.00 54.13 54.31 1h2i s LEU 115 Cb -0.09 -2.92 1.10 0.00 0.02 0.00 0.00 46.19 44.31 1h2i s LEU 115 CO 0.00 -0.37 1.63 2.29 0.02 0.00 0.00 176.35 179.93 1h2i n LYS 116 N -1.67 0.14 -0.01 1.70 2.85 -0.54 -0.48 118.16 120.14 1h2i n LYS 116 Ca -0.03 0.62 -0.05 0.00 -1.05 0.00 0.00 58.31 57.80 1h2i n LYS 116 Cb 0.57 -1.93 0.16 0.00 -0.65 0.00 0.00 35.03 33.19 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 0.56 0.00 -5.58 -0.00 -1.84 -0.40 116.42 109.16 1h2i h ASP 117 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.03 56.83 1h2i h ASP 117 Cb 0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.20 1h2i h ASP 117 CO 0.00 0.81 0.00 0.61 -0.00 0.00 0.00 179.24 180.66 1h2i n GLY 118 N -0.29 2.68 3.72 -0.78 0.00 0.36 -4.59 105.19 106.29 1h2i n GLY 118 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.43 3.84 0.12 1.61 1.04 -1.26 -4.72 113.70 112.91 1h2i s SER 119 Ca 0.00 2.18 -0.25 0.00 0.48 0.00 0.00 55.95 58.36 1h2i s SER 119 Cb 0.00 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.63 1h2i s SER 119 CO 0.00 -2.49 0.75 -0.72 0.98 0.00 0.00 173.24 171.75 1h2i s TYR 120 N -2.42 -0.39 -0.11 5.02 -0.85 -1.26 -1.25 117.35 116.09 1h2i s TYR 120 Ca 0.69 0.16 -0.11 0.00 -0.52 0.00 0.00 57.07 57.29 1h2i s TYR 120 Cb -0.24 0.58 0.03 0.00 0.38 0.00 0.00 41.96 42.71 1h2i s TYR 120 CO 0.52 -0.80 0.30 -1.01 -1.52 0.00 0.00 175.55 173.04 1h2i s HIS 121 N -3.52 -0.33 0.02 -3.49 3.76 -0.77 -5.01 115.29 105.96 1h2i s HIS 121 Ca 0.05 0.81 0.05 0.00 -0.15 0.00 0.00 55.06 55.82 1h2i s HIS 121 Cb -0.02 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.77 1h2i s HIS 121 CO -0.07 -0.16 -0.16 -2.00 -0.85 0.00 0.00 174.74 171.50 1h2i s GLU 122 N 0.15 1.12 0.26 1.40 2.12 -1.26 -0.80 118.70 121.69 1h2i s GLU 122 Ca -0.00 -0.72 -0.10 0.00 0.36 0.00 0.00 54.97 54.50 1h2i s GLU 122 Cb -0.02 -1.13 -0.00 0.00 0.26 0.00 0.00 34.13 33.23 1h2i s GLU 122 CO 0.00 0.29 0.46 0.34 -0.54 0.00 0.00 175.26 175.82 1h2i s ASP 123 N -0.89 0.10 0.01 -1.70 -1.08 -0.84 -4.88 116.67 107.39 1h2i s ASP 123 Ca 0.04 -1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 50.98 1h2i s ASP 123 Cb -0.07 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1h2i s ASP 123 CO 0.01 -1.16 0.19 0.68 0.52 0.00 0.00 175.17 175.40 1h2i s VAL 124 N -3.80 5.40 0.21 1.11 -7.23 -1.26 -1.74 120.40 113.08 1h2i s VAL 124 Ca 0.25 -0.22 0.10 0.00 -1.81 0.00 0.00 61.98 60.30 1h2i s VAL 124 Cb -0.00 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 1h2i s VAL 124 CO 0.11 0.29 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.17 1h2i s GLY 125 N -2.05 1.59 0.10 2.32 0.00 0.23 -4.53 107.32 104.98 1h2i s GLY 125 Ca 0.29 -1.66 0.06 0.00 0.00 0.00 0.00 44.72 43.42 1h2i s GLY 125 CO 0.21 -1.72 -0.16 -0.47 0.00 0.00 0.00 173.10 170.96 1h2i s TYR 126 N -2.27 1.46 -0.04 1.90 5.04 -1.26 -1.47 117.35 120.72 1h2i s TYR 126 Ca 0.22 -0.48 0.03 0.00 -2.44 0.00 0.00 57.07 54.39 1h2i s TYR 126 Cb -0.05 -0.79 0.01 0.00 0.35 0.00 0.00 41.96 41.48 1h2i s TYR 126 CO 0.09 0.14 -0.10 0.20 -1.34 0.00 0.00 175.55 174.54 1h2i s GLY 127 N -2.10 0.63 0.04 8.97 0.00 0.14 -3.65 107.32 111.36 1h2i s GLY 127 Ca 0.05 -0.37 0.06 0.00 0.00 0.00 0.00 44.72 44.46 1h2i s GLY 127 CO 0.03 -0.04 -0.17 0.14 0.00 0.00 0.00 173.10 173.07 1h2i s VAL 128 N 0.33 1.35 -0.17 1.40 1.01 -1.26 -1.25 120.40 121.81 1h2i s VAL 128 Ca -0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1h2i s VAL 128 Cb -0.11 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.15 1h2i s VAL 128 CO 0.01 0.08 0.20 -0.55 0.00 0.00 0.00 175.10 174.85 1h2i s SER 129 N -1.18 1.26 -0.09 3.32 0.15 -0.65 -4.52 113.70 111.99 1h2i s SER 129 Ca 0.04 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1h2i s SER 129 Cb -0.08 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1h2i s SER 129 CO 0.02 -0.31 -0.14 -1.61 1.20 0.00 0.00 173.24 172.39 1h2i s GLU 130 N 2.31 2.02 0.00 5.44 2.02 -1.26 -0.57 118.70 128.66 1h2i s GLU 130 Ca 0.05 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1h2i s GLU 130 Cb -0.15 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1h2i s GLU 130 CO -0.10 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1h2i n GLY 131 N 3.95 3.21 3.75 -1.39 0.00 -0.55 -5.01 105.19 109.14 1h2i n GLY 131 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 2.74 -0.01 0.99 1.43 -1.26 -4.58 118.68 117.99 1h2i s LEU 132 Ca 0.00 1.71 0.21 0.00 -1.03 0.00 0.00 54.13 55.02 1h2i s LEU 132 Cb 0.00 -4.30 -0.26 0.00 0.03 0.00 0.00 46.19 41.66 1h2i s LEU 132 CO 0.00 -2.28 0.77 0.29 0.23 0.00 0.00 176.35 175.36 1h2i n LYS 133 N -3.67 0.22 -3.18 1.70 5.02 -1.26 -0.67 118.16 116.31 1h2i n LYS 133 Ca 0.08 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 1h2i n LYS 133 Cb 0.54 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.44 6.55 0.02 4.39 0.15 -1.26 -4.82 113.70 115.29 1h2i s SER 134 Ca 0.03 0.67 -0.25 0.00 0.70 0.00 0.00 55.95 57.10 1h2i s SER 134 Cb 0.15 -2.31 -0.18 0.00 -1.71 0.00 0.00 66.02 61.97 1h2i s SER 134 CO 0.88 -0.28 1.42 0.50 1.20 0.00 0.00 173.24 176.96 1h2i h LYS 135 N 7.74 -0.11 -0.30 5.44 3.64 -1.98 -1.74 116.57 129.26 1h2i h LYS 135 Ca -0.30 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1h2i h LYS 135 Cb 1.14 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1h2i h LYS 135 CO 0.75 0.17 -0.07 0.00 -2.27 0.00 0.00 179.45 178.03 1h2i h ALA 136 N 0.47 0.19 -0.32 5.00 0.00 -1.99 0.77 119.26 123.38 1h2i h ALA 136 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1h2i h ALA 136 Cb 0.34 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1h2i h ALA 136 CO 0.02 -0.47 0.02 -0.07 0.00 0.00 0.00 179.25 178.76 1h2i h LEU 137 N -0.00 0.45 -0.06 0.00 -0.00 -1.96 -0.63 115.31 113.10 1h2i h LEU 137 Ca 0.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 137 Cb 0.22 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1h2i h LEU 137 CO -0.30 0.50 -0.02 0.28 -0.00 0.00 0.00 178.44 178.90 1h2i h SER 138 N 0.47 0.12 -0.56 -0.43 0.02 -0.32 -1.46 113.55 111.39 1h2i h SER 138 Ca 0.11 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1h2i h SER 138 Cb 0.27 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1h2i h SER 138 CO 0.01 0.48 0.27 -0.07 -1.14 0.00 0.00 176.83 176.37 1h2i h LEU 139 N -0.23 0.73 -0.44 5.07 -0.00 -0.72 -1.65 115.31 118.06 1h2i h LEU 139 Ca 0.02 -0.13 0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1h2i h LEU 139 Cb 0.43 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1h2i h LEU 139 CO 0.01 0.66 0.29 -0.08 -0.00 0.00 0.00 178.44 179.31 1h2i h GLU 140 N 0.75 0.56 -0.28 1.13 4.81 -1.07 -0.08 114.58 120.41 1h2i h GLU 140 Ca 0.19 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1h2i h GLU 140 Cb 0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1h2i h GLU 140 CO -0.02 0.37 0.13 -0.22 -0.73 0.00 0.00 179.01 178.54 1h2i h LYS 141 N 0.58 0.40 -0.35 1.92 3.64 -1.06 -2.28 116.57 119.42 1h2i h LYS 141 Ca 0.16 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1h2i h LYS 141 Cb -0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1h2i h LYS 141 CO -0.04 0.39 -0.28 0.00 -2.27 0.00 0.00 179.45 177.25 1h2i h ALA 142 N 0.99 0.84 -0.12 5.00 0.00 -1.07 -1.53 119.26 123.37 1h2i h ALA 142 Ca 0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1h2i h ALA 142 Cb 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h2i h ALA 142 CO -0.01 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.74 1h2i h ARG 143 N 0.63 0.31 -0.71 0.00 3.08 -0.98 -1.97 114.38 114.75 1h2i h ARG 143 Ca 0.08 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1h2i h ARG 143 Cb 0.79 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1h2i h ARG 143 CO 0.07 0.72 0.46 0.87 -1.07 0.00 0.00 179.97 181.02 1h2i h LYS 144 N -0.09 0.94 -0.29 0.04 1.57 -1.38 -2.56 116.57 114.80 1h2i h LYS 144 Ca 0.02 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1h2i h LYS 144 Cb 0.67 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1h2i h LYS 144 CO 0.03 0.63 -0.30 0.93 -0.57 0.00 0.00 179.45 180.17 1h2i h GLU 145 N 0.96 0.60 -0.26 3.15 5.08 -1.26 -2.16 114.58 120.69 1h2i h GLU 145 Ca 0.26 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1h2i h GLU 145 Cb -0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1h2i h GLU 145 CO -0.05 0.83 0.12 0.00 -1.00 0.00 0.00 179.01 178.91 1h2i h ALA 146 N 1.16 0.31 0.15 3.43 0.00 -1.06 0.48 119.26 123.73 1h2i h ALA 146 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h2i h ALA 146 Cb 0.78 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h2i h ALA 146 CO 0.06 -0.28 -0.10 0.28 0.00 0.00 0.00 179.25 179.22 1h2i h VAL 147 N 0.25 0.80 -0.84 0.00 2.07 -1.19 -0.26 116.25 117.09 1h2i h VAL 147 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1h2i h VAL 147 Cb 0.04 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1h2i h VAL 147 CO -0.08 0.00 0.41 0.74 0.02 0.00 0.00 177.57 178.66 1h2i h THR 148 N -0.24 1.26 -0.76 2.57 2.02 -1.07 0.70 112.91 117.38 1h2i h THR 148 Ca -0.01 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1h2i h THR 148 Cb 0.20 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1h2i h THR 148 CO 0.01 0.30 0.43 -0.78 0.37 0.00 0.00 175.52 175.86 1h2i h ASP 149 N 1.18 0.95 -0.41 4.18 -0.00 0.19 -0.03 116.42 122.48 1h2i h ASP 149 Ca 0.29 -0.09 -0.15 0.00 -0.00 0.00 0.00 57.03 57.08 1h2i h ASP 149 Cb 0.10 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.18 1h2i h ASP 149 CO -0.04 0.76 -0.32 1.23 -0.00 0.00 0.00 179.24 180.88 1h2i h GLY 150 N 1.05 1.04 1.00 -0.78 0.00 -0.14 -0.80 103.07 104.43 1h2i h GLY 150 Ca 0.27 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1h2i h GLY 150 CO -0.05 0.91 0.34 -2.00 0.00 0.00 0.00 176.54 175.74 1h2i h LEU 151 N 0.80 0.78 -0.60 3.11 5.85 -0.53 -0.06 115.31 124.66 1h2i h LEU 151 Ca 0.08 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1h2i h LEU 151 Cb 0.90 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1h2i h LEU 151 CO 0.08 0.65 0.18 0.11 -0.34 0.00 0.00 178.44 179.13 1h2i h LYS 152 N 0.85 0.94 -0.60 1.25 1.57 -0.64 -1.64 116.57 118.29 1h2i h LYS 152 Ca 0.22 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1h2i h LYS 152 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1h2i h LYS 152 CO -0.04 0.84 -0.00 0.00 -0.57 0.00 0.00 179.45 179.68 1h2i h ARG 153 N 0.86 1.06 -0.08 3.15 3.08 -0.76 -2.21 114.38 119.48 1h2i h ARG 153 Ca 0.19 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1h2i h ARG 153 Cb 0.30 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1h2i h ARG 153 CO -0.01 1.04 0.05 0.00 -1.07 0.00 0.00 179.97 179.99 1h2i h ALA 154 N 0.98 0.10 -0.64 0.04 0.00 -0.80 -2.66 119.26 116.28 1h2i h ALA 154 Ca 0.17 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1h2i h ALA 154 Cb 0.56 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1h2i h ALA 154 CO 0.03 -0.41 0.42 -0.07 0.00 0.00 0.00 179.25 179.23 1h2i h LEU 155 N 0.10 0.55 -1.33 0.00 4.07 -1.16 -1.95 115.31 115.58 1h2i h LEU 155 Ca 0.03 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.20 1h2i h LEU 155 Cb -0.00 -0.11 -0.08 0.00 1.08 0.00 0.00 40.66 41.54 1h2i h LEU 155 CO -0.01 0.35 0.62 0.03 -1.08 0.00 0.00 178.44 178.36 1h2i h ARG 156 N 0.62 0.50 -0.47 1.13 3.08 -1.03 -1.25 114.38 116.96 1h2i h ARG 156 Ca 0.28 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.43 1h2i h ARG 156 Cb 0.30 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1h2i h ARG 156 CO -0.09 0.33 0.51 0.77 -1.07 0.00 0.00 179.97 180.42 1h2i h SER 157 N 0.52 0.00 1.50 7.04 0.02 -1.42 0.07 113.55 121.27 1h2i h SER 157 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1h2i h SER 157 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1h2i h SER 157 CO -0.26 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.17 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.41 -3.49 116.94 114.49 1h2i h PHE 158 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 1h2i h PHE 158 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 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 0.76 0.61 0.14 -1.45 0.00 0.01 -4.94 105.19 100.32 1h2i n GLY 159 Ca 0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 0.29 -0.10 1.61 2.35 -1.56 -0.95 115.58 117.22 1h2i h ASN 160 Ca 0.00 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1h2i h ASN 160 Cb 0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1h2i h ASN 160 CO 0.00 0.21 0.33 0.00 -1.65 0.00 0.00 177.43 176.32 1h2i h ALA 161 N 1.12 1.51 -0.44 -0.83 0.00 0.76 0.34 119.26 121.73 1h2i h ALA 161 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h2i h ALA 161 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1h2i h ALA 161 CO -0.05 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1h2i n LEU 162 N -3.13 3.77 0.00 0.00 7.99 -0.92 -4.94 117.00 119.77 1h2i n LEU 162 Ca 0.00 -2.38 0.00 0.00 -0.01 0.00 0.00 56.01 53.62 1h2i n LEU 162 Cb 0.41 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1h2i n LEU 162 CO 0.18 0.76 0.00 0.61 -1.51 0.00 0.00 177.39 177.42 1h2i n GLY 163 N 0.52 1.27 0.25 -0.72 0.00 0.12 -3.93 105.19 102.69 1h2i n GLY 163 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.12 1.61 -0.00 -1.09 -2.32 115.58 113.66 1h2i h ASN 164 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.09 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 -0.74 0.00 -0.00 0.00 0.00 177.43 176.69 1h2i n ILE 166 N -4.00 0.00 0.10 0.00 0.00 -0.87 0.57 119.36 115.15 1h2i n ILE 166 Ca -0.08 0.68 0.04 0.00 0.00 0.00 0.00 62.75 63.39 1h2i n ILE 166 Cb 0.73 -1.18 0.07 0.00 0.00 0.00 0.00 39.64 39.25 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 -2.51 2.17 -4.57 9.51 -0.00 -1.26 -4.90 117.00 115.44 1h2i n LEU 167 Ca 0.15 -1.51 -0.42 0.00 -0.00 0.00 0.00 56.01 54.24 1h2i n LEU 167 Cb 0.86 -0.08 -0.03 0.00 -0.00 0.00 0.00 43.42 44.17 1h2i n LEU 167 CO 0.15 0.50 1.10 -0.62 -0.00 0.00 0.00 177.39 178.53 1h2i s ASP 168 N -0.83 6.33 0.55 1.45 3.68 0.19 -4.93 116.67 123.12 1h2i s ASP 168 Ca 0.13 -0.13 0.33 0.00 2.13 0.00 0.00 52.55 55.01 1h2i s ASP 168 Cb 0.08 -2.55 1.50 0.00 -1.45 0.00 0.00 42.92 40.49 1h2i s ASP 168 CO 0.11 -1.61 1.85 0.11 0.13 0.00 0.00 175.17 175.76 1h2i h LYS 169 N 9.72 0.00 0.00 4.34 1.57 -1.91 0.72 116.57 131.01 1h2i h LYS 169 Ca -0.26 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1h2i h LYS 169 CO 1.22 0.00 -0.66 -0.44 -0.57 0.00 0.00 179.45 179.00 1h2i h ASP 170 N 0.00 0.00 -0.05 0.86 3.32 -1.96 -1.32 116.42 117.28 1h2i h ASP 170 Ca 0.45 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.42 1h2i h ASP 170 Cb 1.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 1h2i h ASP 170 CO -0.00 0.66 -0.29 0.22 -1.72 0.00 0.00 179.24 178.10 1h2i h TYR 171 N 0.00 0.38 -0.56 4.55 3.20 -1.24 -2.33 116.97 120.98 1h2i h TYR 171 Ca -0.01 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 61.72 1h2i h TYR 171 Cb 1.27 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1h2i h TYR 171 CO 0.00 0.92 0.32 -0.07 -1.64 0.00 0.00 178.16 177.69 1h2i h LEU 172 N -0.26 0.51 0.04 2.82 3.38 -1.23 -1.06 115.31 119.52 1h2i h LEU 172 Ca -0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1h2i h LEU 172 Cb 0.96 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1h2i h LEU 172 CO 0.06 0.35 -0.16 -0.09 0.09 0.00 0.00 178.44 178.69 1h2i h ARG 173 N 0.64 -0.28 0.00 1.13 2.43 -1.26 -1.27 114.38 115.77 1h2i h ARG 173 Ca 0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1h2i h ARG 173 Cb 0.06 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1h2i h ARG 173 CO -0.12 -0.18 0.00 -1.13 -1.51 0.00 0.00 179.97 177.03 1h2i n SER 174 N -5.29 0.24 0.11 -3.80 3.41 -0.88 -2.25 113.62 105.17 1h2i n SER 174 Ca -0.06 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 58.92 1h2i n SER 174 Cb 0.21 -0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.55 -1.37 1.04 3.38 -0.11 -3.27 115.31 115.53 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 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1h2i h LEU 175 CO 0.00 1.44 -0.10 0.78 0.09 0.00 0.00 178.44 180.65 1h2i h ASN 176 N 0.11 0.29 0.00 -0.43 2.35 -0.85 -1.51 115.58 115.54 1h2i h ASN 176 Ca -0.16 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1h2i h ASN 176 Cb 1.99 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1h2i h ASN 176 CO 0.22 0.42 0.00 0.29 -1.65 0.00 0.00 177.43 176.71 1h2i n LYS 177 N -4.28 0.88 -4.20 0.81 5.02 -1.17 -4.72 118.16 110.50 1h2i n LYS 177 Ca -0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1h2i n LYS 177 Cb 0.26 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.02 2.26 0.34 -0.35 1.43 -0.57 -5.08 118.68 116.69 1h2i s LEU 178 Ca 0.00 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.23 1h2i s LEU 178 Cb 0.00 -0.54 -0.13 0.00 0.03 0.00 0.00 46.19 45.56 1h2i s LEU 178 CO 0.00 -0.06 1.16 -0.81 0.23 0.00 0.00 176.35 176.87 1h2i n PRO 179 N 1.37 1.75 0.00 1.29 -0.04 -1.26 -4.97 135.00 133.14 1h2i n PRO 179 Ca -0.21 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1h2i n PRO 179 Cb 0.54 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1h2i n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1h2i n ARG 180 N 0.54 2.04 -3.49 0.54 1.74 -1.26 -4.94 116.66 111.82 1h2i n ARG 180 Ca 0.07 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.96 1h2i n ARG 180 Cb 0.35 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.66 1h2i n ARG 180 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1h2i s GLN 181 N 0.00 0.19 0.46 5.56 2.00 -1.26 -4.97 119.66 121.65 1h2i s GLN 181 Ca 0.00 0.14 -0.07 0.00 -2.00 0.00 0.00 55.36 53.43 1h2i s GLN 181 Cb 0.00 -1.20 -0.04 0.00 0.80 0.00 0.00 33.01 32.57 1h2i s GLN 181 CO 0.00 -0.70 0.78 -0.48 -0.50 0.00 0.00 175.29 174.40 1h2i s LEU 182 N 2.31 3.67 -0.07 3.68 2.34 -1.26 -5.01 118.68 124.34 1h2i s LEU 182 Ca 0.07 0.98 -0.37 0.00 0.06 0.00 0.00 54.13 54.87 1h2i s LEU 182 Cb -0.16 -3.92 -0.15 0.00 -0.56 0.00 0.00 46.19 41.41 1h2i s LEU 182 CO -0.14 -0.54 1.65 -0.81 -1.06 0.00 0.00 176.35 175.45 1h2i n PRO 183 N -2.02 1.57 -3.98 1.48 -0.04 -1.26 -5.00 135.00 125.75 1h2i n PRO 183 Ca 0.01 0.57 -0.32 0.00 -0.04 0.00 0.00 63.50 63.73 1h2i n PRO 183 Cb 0.55 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 1h2i n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1h2i s LEU 184 N 2.48 4.14 0.20 1.53 1.43 -1.26 -5.10 118.68 122.11 1h2i s LEU 184 Ca 0.90 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 54.00 1h2i s LEU 184 Cb -0.88 -2.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 1h2i s LEU 184 CO 0.53 0.22 0.72 -1.61 0.23 0.00 0.00 176.35 176.44 1h2i s GLU 185 N -2.16 4.30 -0.11 1.70 0.41 -1.26 -5.05 118.70 116.52 1h2i s GLU 185 Ca 0.29 0.90 -0.04 0.00 -0.41 0.00 0.00 54.97 55.71 1h2i s GLU 185 Cb -0.12 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.23 1h2i s GLU 185 CO 0.21 0.44 0.06 0.08 -0.49 0.00 0.00 175.26 175.56 1h2i s VAL 186 N -1.44 4.78 -1.40 2.63 1.01 -1.26 -5.04 120.40 119.68 1h2i s VAL 186 Ca 0.41 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1h2i s VAL 186 Cb -0.18 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1h2i s VAL 186 CO 0.22 0.60 2.05 -0.67 0.00 0.00 0.00 175.10 177.29 1h2i n ASP 187 N 2.24 4.27 0.00 3.32 4.64 -1.26 -4.83 116.55 124.93 1h2i n ASP 187 Ca -0.19 -2.87 0.01 0.00 -1.38 0.00 0.00 54.79 50.36 1h2i n ASP 187 Cb 0.54 -1.69 0.04 0.00 -1.04 0.00 0.00 41.12 38.96 1h2i n ASP 187 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1h2i n LEU 188 N 6.91 0.00 -0.08 -2.67 4.77 -1.26 -4.03 117.00 120.64 1h2i n LEU 188 Ca 0.51 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1h2i n LEU 188 Cb 0.42 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1h2i n LEU 188 CO 0.85 0.00 0.83 0.74 -1.33 0.00 0.00 177.39 178.48 1h2i h THR 189 N 0.00 0.74 -0.94 -5.08 2.02 -2.05 -2.59 112.91 105.01 1h2i h THR 189 Ca 0.00 -0.02 -0.65 0.00 0.77 0.00 0.00 66.41 66.52 1h2i h THR 189 Cb 0.00 0.69 -0.32 0.00 -1.74 0.00 0.00 68.15 66.78 1h2i h THR 189 CO 0.00 0.01 0.47 0.29 0.37 0.00 0.00 175.52 176.66 1h2i n LYS 190 N -5.21 2.90 -2.41 6.66 5.02 -1.26 -5.02 118.16 118.85 1h2i n LYS 190 Ca 0.00 -3.50 -0.37 0.00 -2.02 0.00 0.00 58.31 52.43 1h2i n LYS 190 Cb 0.16 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i s ALA 191 N -3.77 3.03 0.07 7.82 0.00 -0.98 -4.95 121.76 122.99 1h2i s ALA 191 Ca 0.62 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 53.08 1h2i s ALA 191 Cb 0.49 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.20 1h2i s ALA 191 CO 0.00 -0.43 1.65 0.21 0.00 0.00 0.00 175.76 177.20 1h2i s LYS 192 N -2.61 4.20 0.00 0.00 2.20 -1.26 -4.83 119.74 117.44 1h2i s LYS 192 Ca 0.61 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 1h2i s LYS 192 Cb -0.25 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1h2i s LYS 192 CO 0.31 -0.73 0.18 0.54 -0.36 0.00 0.00 175.35 175.29 1h2i n ARG 193 N 5.54 3.95 -4.18 4.03 1.74 -1.26 -5.05 116.66 121.43 1h2i n ARG 193 Ca 0.16 -0.18 -0.18 0.00 -0.77 0.00 0.00 57.85 56.87 1h2i n ARG 193 Cb 0.40 -0.68 -0.12 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.62 0.85 0.12 5.56 -0.21 -1.26 -5.06 119.66 119.03 1h2i s GLN 194 Ca 0.00 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.23 1h2i s GLN 194 Cb 0.00 -0.81 -0.07 0.00 1.00 0.00 0.00 33.01 33.13 1h2i s GLN 194 CO 0.00 0.17 1.44 -0.44 -2.12 0.00 0.00 175.29 174.34 1h2i h ASP 195 N 4.12 0.85 -2.72 5.90 3.45 -2.04 -3.45 116.42 122.53 1h2i h ASP 195 Ca -0.40 -0.47 -0.59 0.00 0.43 0.00 0.00 57.03 55.99 1h2i h ASP 195 Cb 1.19 -0.24 0.13 0.00 -0.56 0.00 0.00 39.33 39.86 1h2i h ASP 195 CO 0.43 1.15 -0.03 -0.11 -1.57 0.00 0.00 179.24 179.11 1h2i n LEU 196 N -4.18 1.65 -3.22 1.55 -0.00 -1.26 -4.98 117.00 106.56 1h2i n LEU 196 Ca -0.03 1.01 -0.24 0.00 -0.00 0.00 0.00 56.01 56.74 1h2i n LEU 196 Cb 0.50 -1.26 -0.07 0.00 -0.00 0.00 0.00 43.42 42.59 1h2i n LEU 196 CO 0.46 -1.94 -0.29 -0.62 -0.00 0.00 0.00 177.39 175.00 1h2i n GLU 197 N 0.34 0.72 -0.28 1.96 -0.58 -1.26 -5.04 120.64 116.50 1h2i n GLU 197 Ca 0.10 -3.27 -0.02 0.00 -0.42 0.00 0.00 57.16 53.55 1h2i n GLU 197 Cb 0.38 -1.30 0.01 0.00 -0.57 0.00 0.00 31.44 29.97 1h2i n GLU 197 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1h2i n PRO 198 N 1.53 -0.20 -0.13 3.49 -0.02 -1.26 -0.37 135.00 138.05 1h2i n PRO 198 Ca 0.22 1.10 -0.04 0.00 -2.02 0.00 0.00 63.50 62.76 1h2i n PRO 198 Cb 0.52 -1.62 0.04 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.11 -0.28 2.55 4.64 -1.99 0.11 113.55 118.47 1h2i h SER 199 Ca 0.22 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1h2i h SER 199 Cb 0.40 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1h2i h SER 199 CO -0.70 -0.02 0.14 0.58 -0.87 0.00 0.00 176.83 175.95 1h2i h VAL 200 N 0.15 1.15 -0.67 0.95 2.07 -1.15 -2.53 116.25 116.22 1h2i h VAL 200 Ca 0.21 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1h2i h VAL 200 Cb 0.29 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1h2i h VAL 200 CO -0.32 0.15 0.36 -0.08 0.02 0.00 0.00 177.57 177.70 1h2i h GLU 201 N 0.32 0.92 0.32 1.57 4.57 -0.20 0.20 114.58 122.28 1h2i h GLU 201 Ca 0.10 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1h2i h GLU 201 Cb 0.12 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1h2i h GLU 201 CO -0.01 0.68 -0.15 0.93 -1.18 0.00 0.00 179.01 179.27 1h2i h GLU 202 N 0.93 -0.42 -0.94 1.92 5.08 -0.74 -1.26 114.58 119.15 1h2i h GLU 202 Ca 0.24 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.82 1h2i h GLU 202 Cb 0.03 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.19 1h2i h GLU 202 CO -0.04 -0.28 -0.20 0.00 -1.00 0.00 0.00 179.01 177.50 1h2i n ALA 203 N -2.28 0.26 0.26 3.43 0.00 -0.96 0.11 120.51 121.34 1h2i n ALA 203 Ca -0.05 1.03 0.14 0.00 0.00 0.00 0.00 53.44 54.56 1h2i n ALA 203 Cb 0.17 -0.64 0.71 0.00 0.00 0.00 0.00 19.45 19.68 1h2i n ALA 203 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1h2i h ARG 204 N 0.00 0.00 0.06 0.00 2.43 -0.55 -1.52 114.38 114.80 1h2i h ARG 204 Ca 0.47 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.40 1h2i h ARG 204 Cb 0.76 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1h2i h ARG 204 CO -0.96 0.11 -1.07 -0.92 -1.51 0.00 0.00 179.97 175.62 1h2i h TYR 205 N 0.00 0.40 0.00 2.20 3.20 0.21 -3.26 116.97 119.72 1h2i h TYR 205 Ca -0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1h2i h TYR 205 Cb 0.43 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1h2i h TYR 205 CO 0.00 1.15 -0.22 -0.91 -1.64 0.00 0.00 178.16 176.54 1h2i h ASN 206 N 0.10 0.00 0.10 -2.11 2.35 -0.67 -3.27 115.58 112.08 1h2i h ASN 206 Ca -0.09 -0.07 -0.28 0.00 -0.55 0.00 0.00 56.30 55.32 1h2i h ASN 206 Cb 1.76 0.00 0.03 0.00 0.05 0.00 0.00 38.32 40.16 1h2i h ASN 206 CO 0.17 0.03 -1.15 0.77 -1.65 0.00 0.00 177.43 175.61 1h2i h SER 207 N 0.00 0.83 0.00 5.81 4.64 -1.35 -3.15 113.55 120.33 1h2i h SER 207 Ca 0.00 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1h2i h SER 207 Cb 0.76 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1h2i h SER 207 CO 0.00 1.56 0.04 0.00 -0.87 0.00 0.00 176.83 177.57