#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 -2.61 2.73 -0.01 0.00 7.35 -1.26 -1.62 117.46 122.03 1h2i n PHE 26 Ca 0.06 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1h2i n PHE 26 Cb 0.21 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.48 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 2.05 1.21 0.00 7.13 0.00 -0.14 -4.85 105.19 110.59 1h2i n GLY 27 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 1.83 -1.96 1.61 6.02 -0.64 -4.06 117.38 118.18 1h2i n GLN 28 Ca 0.00 -1.19 -0.29 0.00 -0.01 0.00 0.00 57.00 55.51 1h2i n GLN 28 Cb 0.00 -0.97 0.05 0.00 1.02 0.00 0.00 30.24 30.34 1h2i n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2i s GLN 30 N -5.33 1.07 0.36 0.00 0.74 -1.26 -4.25 119.66 110.99 1h2i s GLN 30 Ca 0.58 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 55.45 1h2i s GLN 30 Cb -0.11 -0.98 -0.10 0.00 1.10 0.00 0.00 33.01 32.92 1h2i s GLN 30 CO 0.50 0.03 1.27 0.71 -0.55 0.00 0.00 175.29 177.25 1h2i s TYR 31 N 0.53 3.04 0.53 1.67 1.51 -1.26 -4.99 117.35 118.38 1h2i s TYR 31 Ca -0.09 1.46 -0.17 0.00 -1.01 0.00 0.00 57.07 57.26 1h2i s TYR 31 Cb -0.12 -3.60 -0.07 0.00 -0.11 0.00 0.00 41.96 38.06 1h2i s TYR 31 CO 0.01 -1.73 1.02 0.95 -1.11 0.00 0.00 175.55 174.69 1h2i s THR 32 N -1.21 4.10 0.31 -0.71 -4.23 -1.26 -4.81 115.64 107.83 1h2i s THR 32 Ca 0.52 1.09 0.04 0.00 -1.18 0.00 0.00 61.69 62.16 1h2i s THR 32 Cb -0.37 -3.53 0.30 0.00 1.34 0.00 0.00 72.50 70.24 1h2i s THR 32 CO 0.49 -0.49 1.85 0.00 -0.54 0.00 0.00 174.62 175.93 1h2i h ALA 33 N 0.97 1.64 -0.21 3.99 0.00 -1.99 0.10 119.26 123.77 1h2i h ALA 33 Ca -0.48 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1h2i h ALA 33 Cb 1.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1h2i h ALA 33 CO 0.59 0.12 0.06 1.49 0.00 0.00 0.00 179.25 181.51 1h2i h GLU 34 N 0.88 0.33 -0.39 0.00 4.81 -1.99 -0.52 114.58 117.70 1h2i h GLU 34 Ca 0.48 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1h2i h GLU 34 Cb 0.57 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1h2i h GLU 34 CO -0.24 0.44 -0.31 1.49 -0.73 0.00 0.00 179.01 179.66 1h2i h GLU 35 N 0.16 0.89 -0.19 1.92 4.81 -1.75 -2.28 114.58 118.14 1h2i h GLU 35 Ca 0.07 -0.44 0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1h2i h GLU 35 Cb 0.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1h2i h GLU 35 CO -0.00 1.09 -0.07 -0.92 -0.73 0.00 0.00 179.01 178.38 1h2i h TYR 36 N 0.70 -0.16 -0.80 0.92 3.20 -0.71 -1.60 116.97 118.52 1h2i h TYR 36 Ca 0.07 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1h2i h TYR 36 Cb 0.89 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 1h2i h TYR 36 CO 0.06 -0.12 0.36 0.37 -1.64 0.00 0.00 178.16 177.19 1h2i h GLN 37 N -0.04 1.17 -0.66 1.82 4.15 -1.01 -0.22 115.11 120.31 1h2i h GLN 37 Ca 0.10 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 1h2i h GLN 37 Cb 0.19 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1h2i h GLN 37 CO -0.22 0.92 0.13 0.00 -1.93 0.00 0.00 178.83 177.73 1h2i h ALA 38 N 1.19 0.98 -0.10 3.38 0.00 -1.06 -2.77 119.26 120.87 1h2i h ALA 38 Ca 0.27 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1h2i h ALA 38 Cb 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1h2i h ALA 38 CO -0.03 0.65 -0.49 0.82 0.00 0.00 0.00 179.25 180.20 1h2i h ILE 39 N 1.01 1.37 -0.49 0.00 2.04 -1.10 -1.46 117.51 118.88 1h2i h ILE 39 Ca 0.20 -1.82 0.10 0.00 1.00 0.00 0.00 64.86 64.34 1h2i h ILE 39 Cb 0.40 2.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 1h2i h ILE 39 CO 0.01 0.54 -0.03 1.56 0.00 0.00 0.00 178.15 180.23 1h2i h GLN 40 N 0.10 0.08 0.22 2.37 1.08 -0.99 0.40 115.11 118.36 1h2i h GLN 40 Ca -0.03 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1h2i h GLN 40 Cb 1.13 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1h2i h GLN 40 CO 0.10 0.05 -0.10 0.87 -0.95 0.00 0.00 178.83 178.80 1h2i h LYS 41 N 0.08 -0.28 -0.81 1.46 1.57 -1.51 -3.20 116.57 113.88 1h2i h LYS 41 Ca 0.24 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.12 1h2i h LYS 41 Cb 0.37 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1h2i h LYS 41 CO -0.44 -0.02 0.53 0.00 -0.57 0.00 0.00 179.45 178.95 1h2i h ALA 42 N 0.21 1.68 0.00 3.86 0.00 -0.84 -1.48 119.26 122.69 1h2i h ALA 42 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1h2i h ALA 42 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1h2i h ALA 42 CO 0.05 0.17 -0.06 -0.07 0.00 0.00 0.00 179.25 179.34 1h2i h LEU 43 N 0.81 0.00 -1.23 0.00 3.38 -0.93 -2.69 115.31 114.65 1h2i h LEU 43 Ca 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 1h2i h LEU 43 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1h2i h LEU 43 CO -0.14 0.06 -0.32 0.03 0.09 0.00 0.00 178.44 178.17 1h2i h ARG 44 N 0.00 0.11 -6.66 1.13 3.08 -1.29 0.65 114.38 111.40 1h2i h ARG 44 Ca -0.00 -0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 1h2i h ARG 44 Cb 0.15 -0.01 0.12 0.00 0.08 0.00 0.00 29.97 30.31 1h2i h ARG 44 CO 0.01 0.42 0.29 1.04 -1.07 0.00 0.00 179.97 180.66 1h2i n GLN 45 N -4.13 1.65 -3.09 0.04 6.02 -1.02 -4.53 117.38 112.31 1h2i n GLN 45 Ca -0.02 0.58 -0.26 0.00 -0.01 0.00 0.00 57.00 57.30 1h2i n GLN 45 Cb 0.38 -2.12 -0.01 0.00 1.02 0.00 0.00 30.24 29.51 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 -1.90 3.52 -0.01 -1.09 1.81 -1.26 -0.92 118.95 119.10 1h2i s ARG 46 Ca 0.60 -0.09 -0.02 0.00 -1.72 0.00 0.00 55.73 54.49 1h2i s ARG 46 Cb -0.59 -2.55 -0.04 0.00 -0.45 0.00 0.00 34.95 31.32 1h2i s ARG 46 CO 0.59 0.02 0.15 -0.48 -0.68 0.00 0.00 175.30 174.91 1h2i s LEU 47 N -4.40 4.25 1.24 2.53 2.34 -1.26 -4.91 118.68 118.47 1h2i s LEU 47 Ca 0.43 0.30 -0.18 0.00 0.06 0.00 0.00 54.13 54.75 1h2i s LEU 47 Cb -0.10 -2.50 0.30 0.00 -0.56 0.00 0.00 46.19 43.33 1h2i s LEU 47 CO 0.39 0.27 1.03 -0.83 -1.06 0.00 0.00 176.35 176.15 1h2i s GLY 48 N -1.84 1.51 0.59 -3.48 0.00 -1.26 -4.89 107.32 97.95 1h2i s GLY 48 Ca 0.25 -0.65 0.30 0.00 0.00 0.00 0.00 44.72 44.63 1h2i s GLY 48 CO 0.17 0.21 2.24 -2.55 0.00 0.00 0.00 173.10 173.17 1h2i h PRO 49 N -2.78 0.00 0.00 2.90 0.11 -1.96 -2.47 132.00 127.80 1h2i h PRO 49 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.40 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.35 1h2i n GLU 50 N -3.77 0.07 -0.10 1.05 0.00 -1.26 -2.77 120.64 113.86 1h2i n GLU 50 Ca -0.03 0.26 -0.11 0.00 0.00 0.00 0.00 57.16 57.27 1h2i n GLU 50 Cb 0.10 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.90 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 -2.84 -1.84 4.02 -0.93 -4.99 117.16 109.17 1h2i n TYR 51 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 1h2i n TYR 51 Cb 0.11 -0.92 -0.04 0.00 -0.02 0.00 0.00 39.34 38.46 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 -2.46 4.73 0.34 -0.72 -1.09 -1.12 -4.42 121.20 116.47 1h2i s ILE 52 Ca -0.16 1.85 0.03 0.00 -2.23 0.00 0.00 60.65 60.15 1h2i s ILE 52 Cb 0.06 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1h2i s ILE 52 CO 0.70 0.29 0.09 -0.94 -1.23 0.00 0.00 174.94 173.85 1h2i s SER 53 N 0.32 2.30 0.11 3.58 1.04 -0.38 -4.98 113.70 115.69 1h2i s SER 53 Ca 0.44 -1.48 -0.10 0.00 0.48 0.00 0.00 55.95 55.29 1h2i s SER 53 Cb -0.21 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1h2i s SER 53 CO 0.26 -0.74 0.25 -0.94 0.98 0.00 0.00 173.24 173.05 1h2i s SER 54 N -3.50 0.04 0.15 7.02 1.04 -1.26 -1.32 113.70 115.86 1h2i s SER 54 Ca 0.32 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1h2i s SER 54 Cb 0.06 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1h2i s SER 54 CO 0.15 -0.79 0.10 0.00 0.98 0.00 0.00 173.24 173.68 1h2i s ARG 55 N -3.87 1.01 -0.28 4.02 1.70 -0.58 -4.95 118.95 115.99 1h2i s ARG 55 Ca 0.07 -1.43 -0.20 0.00 -0.47 0.00 0.00 55.73 53.70 1h2i s ARG 55 Cb 0.04 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1h2i s ARG 55 CO -0.09 -0.31 0.61 -1.64 -1.08 0.00 0.00 175.30 172.80 1h2i s MET 56 N -4.05 3.98 0.78 3.89 -1.94 -1.26 -1.21 119.30 119.48 1h2i s MET 56 Ca 0.25 0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 54.49 1h2i s MET 56 Cb 0.07 -3.70 0.06 0.00 2.01 0.00 0.00 34.83 33.27 1h2i s MET 56 CO 0.03 -0.49 1.09 0.00 -0.01 0.00 0.00 175.02 175.64 1h2i s ALA 57 N 2.53 2.31 0.30 3.03 0.00 0.45 -4.89 121.76 125.49 1h2i s ALA 57 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1h2i s ALA 57 Cb -0.15 -3.12 0.56 0.00 0.00 0.00 0.00 23.12 20.41 1h2i s ALA 57 CO 0.10 -1.66 1.89 0.78 0.00 0.00 0.00 175.76 176.88 1h2i h GLY 58 N -1.04 1.37 -0.98 0.00 0.00 -1.97 -0.88 103.07 99.57 1h2i h GLY 58 Ca -0.46 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1h2i h GLY 58 CO 0.59 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.99 1h2i n GLY 59 N -1.39 0.78 3.53 4.60 0.00 -1.26 -4.73 105.19 106.72 1h2i n GLY 59 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 0.23 -0.53 3.09 -0.02 0.00 -0.34 -4.99 105.19 102.63 1h2i n GLY 60 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.23 1.27 0.31 1.61 -2.07 -1.22 -4.90 119.66 108.43 1h2i s GLN 61 Ca 0.54 -0.48 -0.29 0.00 -1.82 0.00 0.00 55.36 53.30 1h2i s GLN 61 Cb -0.25 -1.18 -0.12 0.00 -1.09 0.00 0.00 33.01 30.38 1h2i s GLN 61 CO 0.66 0.24 1.48 1.17 -1.32 0.00 0.00 175.29 177.52 1h2i n LYS 62 N 2.99 2.48 -3.87 9.60 4.81 -1.26 -0.41 118.16 132.50 1h2i n LYS 62 Ca -0.16 0.88 -0.26 0.00 -0.87 0.00 0.00 58.31 57.89 1h2i n LYS 62 Cb 0.54 -2.59 -0.17 0.00 0.02 0.00 0.00 35.03 32.83 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 -0.48 0.86 0.22 3.15 1.01 -0.35 -4.85 120.40 119.96 1h2i s VAL 63 Ca 0.60 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1h2i s VAL 63 Cb -0.53 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1h2i s VAL 63 CO 0.55 0.30 0.55 0.00 0.00 0.00 0.00 175.10 176.49 1h2i s TYR 65 N -1.78 -0.18 -0.10 0.00 -0.85 -0.44 -4.99 117.35 109.01 1h2i s TYR 65 Ca 0.46 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.91 1h2i s TYR 65 Cb -0.12 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1h2i s TYR 65 CO 0.21 -0.83 -0.14 0.42 -1.52 0.00 0.00 175.55 173.70 1h2i s ILE 66 N -3.33 3.05 0.29 -3.49 1.01 -1.26 -1.25 121.20 116.22 1h2i s ILE 66 Ca 0.11 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 1h2i s ILE 66 Cb -0.02 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 1h2i s ILE 66 CO 0.01 0.55 1.18 -1.61 0.00 0.00 0.00 174.94 175.06 1h2i s GLU 67 N -0.03 4.54 0.27 2.79 2.02 -1.26 -4.89 118.70 122.14 1h2i s GLU 67 Ca -0.03 1.95 -0.05 0.00 0.02 0.00 0.00 54.97 56.86 1h2i s GLU 67 Cb -0.14 -3.15 0.53 0.00 0.10 0.00 0.00 34.13 31.47 1h2i s GLU 67 CO 0.04 0.06 1.60 0.78 0.02 0.00 0.00 175.26 177.76 1h2i h GLY 68 N 3.73 0.94 2.00 -1.39 0.00 -1.98 0.16 103.07 106.53 1h2i h GLY 68 Ca -0.47 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1h2i h GLY 68 CO 0.67 -0.37 -0.12 1.12 0.00 0.00 0.00 176.54 177.84 1h2i h HIS 69 N 0.06 0.00 -0.11 5.60 2.07 -2.00 -0.48 115.15 120.28 1h2i h HIS 69 Ca 0.48 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.79 1h2i h HIS 69 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.86 1h2i h HIS 69 CO -0.50 0.12 -0.77 0.00 -3.07 0.00 0.00 177.93 173.71 1h2i h ARG 70 N 0.00 0.62 -0.68 5.12 2.47 -1.06 -2.22 114.38 118.63 1h2i h ARG 70 Ca -0.00 -0.51 -0.08 0.00 -1.26 0.00 0.00 59.98 58.13 1h2i h ARG 70 Cb 0.24 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1h2i h ARG 70 CO 0.02 1.13 0.13 0.28 0.56 0.00 0.00 179.97 182.09 1h2i h VAL 71 N 0.42 1.26 -0.37 2.04 2.07 -0.82 0.51 116.25 121.36 1h2i h VAL 71 Ca -0.05 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1h2i h VAL 71 Cb 1.37 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1h2i h VAL 71 CO 0.15 0.38 0.20 0.40 0.02 0.00 0.00 177.57 178.72 1h2i h ILE 72 N 1.04 1.15 -0.35 4.57 2.04 -1.04 -0.05 117.51 124.86 1h2i h ILE 72 Ca 0.21 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1h2i h ILE 72 Cb 0.42 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1h2i h ILE 72 CO 0.01 0.15 -0.24 0.78 0.00 0.00 0.00 178.15 178.85 1h2i h ASN 73 N 0.47 0.71 -0.11 1.72 2.35 -1.18 -0.61 115.58 118.93 1h2i h ASN 73 Ca 0.13 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1h2i h ASN 73 Cb 0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1h2i h ASN 73 CO -0.02 0.93 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.62 1h2i h LEU 74 N 0.61 -0.06 -0.33 1.61 3.38 -0.43 -0.44 115.31 119.66 1h2i h LEU 74 Ca 0.08 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1h2i h LEU 74 Cb 0.73 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1h2i h LEU 74 CO 0.06 -0.01 0.15 0.00 0.09 0.00 0.00 178.44 178.72 1h2i h ALA 75 N 1.10 0.39 -0.70 1.53 0.00 -0.75 0.72 119.26 121.56 1h2i h ALA 75 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h2i h ALA 75 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1h2i h ALA 75 CO -0.10 -0.24 0.39 -0.91 0.00 0.00 0.00 179.25 178.40 1h2i h ASN 76 N 0.31 0.86 0.51 0.00 2.35 -0.72 0.26 115.58 119.15 1h2i h ASN 76 Ca 0.14 -0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 55.60 1h2i h ASN 76 Cb 0.07 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1h2i h ASN 76 CO -0.11 0.69 -1.00 -0.33 -1.65 0.00 0.00 177.43 175.02 1h2i h GLU 77 N 0.98 0.29 -0.18 0.81 4.39 -0.64 0.48 114.58 120.72 1h2i h GLU 77 Ca 0.25 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 1h2i h GLU 77 Cb 0.01 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1h2i h GLU 77 CO -0.04 1.08 -0.27 1.98 -1.16 0.00 0.00 179.01 180.60 1h2i h MET 78 N 0.14 0.51 0.00 2.33 4.05 -0.47 -3.37 114.93 118.12 1h2i h MET 78 Ca -0.08 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1h2i h MET 78 Cb 1.66 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.49 1h2i h MET 78 CO 0.16 0.90 -0.69 1.19 0.23 0.00 0.00 176.91 178.70 1h2i n PHE 79 N -4.38 0.00 0.00 1.39 3.72 0.04 -4.98 117.46 113.25 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 0.45 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.43 1.95 0.33 1.37 0.00 0.17 -3.41 105.19 107.03 1h2i n GLY 80 Ca 0.01 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.52 1h2i n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1h2i h TYR 81 N 0.00 0.00 -0.30 1.61 -0.00 -1.89 0.12 116.97 116.51 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 -3.54 4.05 -0.00 0.10 2.04 -1.26 -4.57 115.26 112.07 1h2i n ASN 82 Ca -0.00 -2.97 0.08 0.00 -0.44 0.00 0.00 54.58 51.25 1h2i n ASN 82 Cb 0.26 -0.55 -0.10 0.00 -2.53 0.00 0.00 39.78 36.86 1h2i n ASN 82 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h2i n GLY 83 N -0.34 -0.60 3.18 4.83 0.00 0.42 -4.72 105.19 107.95 1h2i n GLY 83 Ca 0.22 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -2.60 0.47 0.24 1.61 1.48 -1.25 -1.17 118.94 117.72 1h2i s TRP 84 Ca 0.06 -0.92 -0.17 0.00 -1.06 0.00 0.00 56.10 54.02 1h2i s TRP 84 Cb 0.13 -0.26 0.02 0.00 -1.16 0.00 0.00 33.47 32.19 1h2i s TRP 84 CO 0.70 -0.52 0.58 0.00 -4.06 0.00 0.00 176.95 173.65 1h2i s ALA 85 N -3.94 -0.82 -0.01 2.67 0.00 0.57 -4.96 121.76 115.28 1h2i s ALA 85 Ca 0.12 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 1h2i s ALA 85 Cb 0.06 0.92 0.06 0.00 0.00 0.00 0.00 23.12 24.17 1h2i s ALA 85 CO -0.06 -0.90 0.60 -3.38 0.00 0.00 0.00 175.76 172.02 1h2i s HIS 86 N -3.93 -0.54 0.10 0.00 -3.43 -1.26 -0.29 115.29 105.93 1h2i s HIS 86 Ca 0.14 0.83 -0.02 0.00 -0.80 0.00 0.00 55.06 55.21 1h2i s HIS 86 Cb -0.03 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 1h2i s HIS 86 CO 0.04 -0.61 0.04 -1.54 -2.00 0.00 0.00 174.74 170.68 1h2i s SER 87 N -1.50 0.35 -0.44 7.38 1.04 -0.51 -4.98 113.70 115.05 1h2i s SER 87 Ca -0.09 -1.09 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 1h2i s SER 87 Cb -0.01 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.45 1h2i s SER 87 CO 0.05 -0.69 0.32 -0.63 0.98 0.00 0.00 173.24 173.26 1h2i s ILE 88 N -3.99 4.76 0.35 -1.02 1.01 -1.26 -1.64 121.20 119.41 1h2i s ILE 88 Ca 0.17 -1.16 0.12 0.00 0.00 0.00 0.00 60.65 59.78 1h2i s ILE 88 Cb 0.07 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1h2i s ILE 88 CO -0.03 -0.50 1.78 0.71 0.00 0.00 0.00 174.94 176.90 1h2i h THR 89 N 5.89 1.29 -1.42 2.92 1.35 -1.14 -3.46 112.91 118.35 1h2i h THR 89 Ca -0.26 -1.44 0.12 0.00 -0.55 0.00 0.00 66.41 64.28 1h2i h THR 89 Cb 1.10 1.78 -0.27 0.00 -1.73 0.00 0.00 68.15 69.03 1h2i h THR 89 CO 0.80 0.41 0.63 -1.58 -0.25 0.00 0.00 175.52 175.53 1h2i s GLN 90 N -4.07 0.39 -0.08 4.72 0.74 -1.19 -4.99 119.66 115.18 1h2i s GLN 90 Ca -0.02 0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.66 1h2i s GLN 90 Cb 0.14 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.46 1h2i s GLN 90 CO 0.73 -0.09 -0.09 -1.14 -0.55 0.00 0.00 175.29 174.16 1h2i s GLN 91 N -0.43 1.46 -0.10 1.67 0.74 -1.26 0.15 119.66 121.89 1h2i s GLN 91 Ca 0.03 -0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.19 1h2i s GLN 91 Cb -0.03 -1.39 0.01 0.00 1.10 0.00 0.00 33.01 32.70 1h2i s GLN 91 CO -0.05 -0.13 -0.18 1.21 -0.55 0.00 0.00 175.29 175.59 1h2i s ASN 92 N 1.21 2.53 -0.42 6.67 3.84 0.60 -4.99 114.94 124.39 1h2i s ASN 92 Ca -0.05 -0.45 -0.26 0.00 0.21 0.00 0.00 52.86 52.31 1h2i s ASN 92 Cb -0.14 -1.15 0.02 0.00 -0.55 0.00 0.00 41.25 39.43 1h2i s ASN 92 CO -0.02 0.07 0.93 -0.69 -2.79 0.00 0.00 177.10 174.60 1h2i s VAL 93 N 0.70 4.51 0.19 -5.21 1.01 -1.26 -1.13 120.40 119.22 1h2i s VAL 93 Ca -0.12 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 1h2i s VAL 93 Cb -0.16 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1h2i s VAL 93 CO 0.03 -0.70 1.53 0.44 0.00 0.00 0.00 175.10 176.40 1h2i h ASP 94 N 8.80 0.77 -4.07 3.32 3.45 -0.90 -3.48 116.42 124.31 1h2i h ASP 94 Ca -0.24 -0.36 0.20 0.00 0.43 0.00 0.00 57.03 57.06 1h2i h ASP 94 Cb 1.08 -0.22 -0.21 0.00 -0.56 0.00 0.00 39.33 39.42 1h2i h ASP 94 CO 1.01 1.09 0.74 0.72 -1.57 0.00 0.00 179.24 181.22 1h2i s PHE 95 N -4.28 -0.19 -0.29 4.55 -0.12 -1.17 -4.98 117.98 111.51 1h2i s PHE 95 Ca -0.09 0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1h2i s PHE 95 Cb 0.12 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 43.10 1h2i s PHE 95 CO 0.85 -0.25 0.11 0.08 -0.05 0.00 0.00 175.22 175.96 1h2i s VAL 96 N -1.99 0.34 -0.07 -2.49 1.01 -1.26 -2.42 120.40 113.52 1h2i s VAL 96 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1h2i s VAL 96 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1h2i s VAL 96 CO -0.05 -0.67 -0.05 -1.81 0.00 0.00 0.00 175.10 172.52 1h2i s ASP 97 N 1.90 4.77 -0.31 3.32 1.01 0.39 -4.94 116.67 122.80 1h2i s ASP 97 Ca 0.09 0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.33 1h2i s ASP 97 Cb -0.17 -1.23 0.05 0.00 1.01 0.00 0.00 42.92 42.59 1h2i s ASP 97 CO -0.30 0.36 0.02 -0.22 0.21 0.00 0.00 175.17 175.25 1h2i s LEU 98 N -0.86 4.04 0.00 1.23 2.96 -1.26 0.36 118.68 125.15 1h2i s LEU 98 Ca 0.13 -1.32 0.08 0.00 -0.22 0.00 0.00 54.13 52.80 1h2i s LEU 98 Cb -0.11 -1.73 0.14 0.00 0.50 0.00 0.00 46.19 44.99 1h2i s LEU 98 CO 0.02 -0.29 0.96 0.59 -1.32 0.00 0.00 176.35 176.31 1h2i n ASN 99 N 4.63 2.16 0.00 3.68 5.03 -0.70 -4.97 115.26 125.09 1h2i n ASN 99 Ca -0.12 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1h2i n ASN 99 Cb 0.43 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 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 0.40 0.00 -0.09 6.41 3.02 -1.26 -4.91 115.26 118.82 1h2i n ASN 100 Ca 0.07 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.64 1h2i n ASN 100 Cb 0.29 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 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 3.37 3.50 7.41 0.00 -1.26 -5.02 105.19 113.19 1h2i n GLY 101 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.41 1.82 -0.05 1.61 1.02 -1.26 -4.47 119.74 117.00 1h2i s LYS 102 Ca 0.09 -1.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.78 1h2i s LYS 102 Cb 0.07 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1h2i s LYS 102 CO 0.02 0.45 0.08 -0.06 -0.92 0.00 0.00 175.35 174.92 1h2i s PHE 103 N -1.42 3.35 -0.20 3.18 0.40 -0.04 -1.72 117.98 121.52 1h2i s PHE 103 Ca 0.21 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 1h2i s PHE 103 Cb -0.09 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.67 1h2i s PHE 103 CO 0.12 0.58 -0.11 0.71 0.70 0.00 0.00 175.22 177.22 1h2i s TYR 104 N -1.08 2.41 -0.06 0.36 1.51 0.16 -1.29 117.35 119.36 1h2i s TYR 104 Ca 0.19 -1.58 0.03 0.00 -1.01 0.00 0.00 57.07 54.70 1h2i s TYR 104 Cb -0.12 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1h2i s TYR 104 CO 0.09 -0.74 -0.14 0.08 -1.11 0.00 0.00 175.55 173.73 1h2i s VAL 105 N 1.40 1.24 -0.13 0.71 1.01 0.22 -0.46 120.40 124.39 1h2i s VAL 105 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1h2i s VAL 105 Cb -0.16 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1h2i s VAL 105 CO -0.08 0.37 -0.15 -0.83 0.00 0.00 0.00 175.10 174.41 1h2i s GLY 106 N 0.41 1.10 -0.01 4.51 0.00 -1.02 -1.71 107.32 110.60 1h2i s GLY 106 Ca -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1h2i s GLY 106 CO 0.03 0.33 -0.14 0.14 0.00 0.00 0.00 173.10 173.47 1h2i s VAL 107 N 1.18 1.09 0.12 1.40 1.01 -0.05 -0.14 120.40 125.01 1h2i s VAL 107 Ca -0.02 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1h2i s VAL 107 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1h2i s VAL 107 CO -0.05 0.31 -0.24 0.00 0.00 0.00 0.00 175.10 175.11 1h2i s ALA 109 N -1.08 0.49 -0.28 0.00 0.00 -0.72 -0.29 121.76 119.88 1h2i s ALA 109 Ca 0.15 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 1h2i s ALA 109 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1h2i s ALA 109 CO 0.07 0.08 0.10 -0.06 0.00 0.00 0.00 175.76 175.94 1h2i s PHE 110 N 0.16 3.13 -0.14 0.00 0.40 0.12 -0.67 117.98 120.98 1h2i s PHE 110 Ca -0.02 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1h2i s PHE 110 Cb -0.05 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.19 1h2i s PHE 110 CO -0.00 -0.46 -0.16 0.08 0.70 0.00 0.00 175.22 175.38 1h2i s VAL 111 N 1.57 2.72 -0.23 -0.44 1.01 -0.72 -0.46 120.40 123.85 1h2i s VAL 111 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1h2i s VAL 111 Cb -0.16 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1h2i s VAL 111 CO 0.04 0.52 0.01 -0.60 0.00 0.00 0.00 175.10 175.07 1h2i s ARG 112 N 0.59 3.49 0.01 2.72 3.52 -0.65 -1.94 118.95 126.69 1h2i s ARG 112 Ca -0.09 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1h2i s ARG 112 Cb -0.16 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1h2i s ARG 112 CO 0.03 -0.19 -0.01 0.54 -0.81 0.00 0.00 175.30 174.86 1h2i s VAL 113 N 1.54 4.08 0.03 7.11 0.11 -0.10 -1.42 120.40 131.75 1h2i s VAL 113 Ca 0.06 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1h2i s VAL 113 Cb -0.15 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 1h2i s VAL 113 CO -0.00 0.34 -0.05 -1.58 -3.33 0.00 0.00 175.10 170.48 1h2i s GLN 114 N -1.64 0.39 0.38 1.54 0.74 0.60 -1.85 119.66 119.81 1h2i s GLN 114 Ca 0.20 -0.61 0.04 0.00 0.05 0.00 0.00 55.36 55.04 1h2i s GLN 114 Cb -0.11 -0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.90 1h2i s GLN 114 CO 0.11 0.00 0.55 -0.51 -0.55 0.00 0.00 175.29 174.89 1h2i s LEU 115 N -1.35 3.86 0.20 3.68 1.02 0.01 -0.32 118.68 125.78 1h2i s LEU 115 Ca -0.12 0.04 0.14 0.00 0.02 0.00 0.00 54.13 54.22 1h2i s LEU 115 Cb -0.09 -2.94 0.75 0.00 0.02 0.00 0.00 46.19 43.93 1h2i s LEU 115 CO -0.00 -0.52 1.42 2.29 0.02 0.00 0.00 176.35 179.56 1h2i n LYS 116 N -1.82 0.09 -0.11 1.70 2.85 -0.31 -0.79 118.16 119.77 1h2i n LYS 116 Ca -0.00 0.59 -0.13 0.00 -1.05 0.00 0.00 58.31 57.71 1h2i n LYS 116 Cb 0.58 -1.79 -0.03 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.95 0.00 -5.58 -0.00 -1.84 -0.05 116.42 109.89 1h2i h ASP 117 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 1h2i h ASP 117 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.07 1h2i h ASP 117 CO 0.00 1.23 0.00 0.61 -0.00 0.00 0.00 179.24 181.08 1h2i n GLY 118 N 0.18 1.65 3.78 -0.78 0.00 0.03 -4.52 105.19 105.52 1h2i n GLY 118 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.88 5.42 0.20 1.61 1.04 -1.26 -4.75 113.70 114.09 1h2i s SER 119 Ca 0.00 2.04 -0.21 0.00 0.48 0.00 0.00 55.95 58.26 1h2i s SER 119 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1h2i s SER 119 CO 0.00 -1.42 0.62 -0.72 0.98 0.00 0.00 173.24 172.70 1h2i s TYR 120 N -2.14 -0.36 -0.08 5.02 -0.85 -1.26 -0.81 117.35 116.87 1h2i s TYR 120 Ca 0.69 0.04 -0.09 0.00 -0.52 0.00 0.00 57.07 57.19 1h2i s TYR 120 Cb -0.21 0.57 0.02 0.00 0.38 0.00 0.00 41.96 42.72 1h2i s TYR 120 CO 0.35 -0.98 0.23 -1.01 -1.52 0.00 0.00 175.55 172.63 1h2i s HIS 121 N -3.82 -0.23 0.01 -3.49 3.76 -0.77 -5.00 115.29 105.75 1h2i s HIS 121 Ca 0.05 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.55 1h2i s HIS 121 Cb -0.02 0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.73 1h2i s HIS 121 CO -0.05 -0.16 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.55 1h2i s GLU 122 N -0.12 0.99 0.28 1.40 2.12 -1.26 -0.92 118.70 121.19 1h2i s GLU 122 Ca -0.02 -0.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.67 1h2i s GLU 122 Cb -0.02 -0.97 -0.01 0.00 0.26 0.00 0.00 34.13 33.39 1h2i s GLU 122 CO 0.01 0.25 0.39 0.34 -0.54 0.00 0.00 175.26 175.71 1h2i s ASP 123 N -0.66 0.44 0.11 -1.70 -1.08 -0.82 -4.90 116.67 108.06 1h2i s ASP 123 Ca 0.03 -1.29 0.02 0.00 -0.52 0.00 0.00 52.55 50.80 1h2i s ASP 123 Cb -0.06 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1h2i s ASP 123 CO 0.00 -1.13 0.20 0.68 0.52 0.00 0.00 175.17 175.44 1h2i s VAL 124 N -3.64 5.07 0.12 1.11 -7.23 -1.26 -1.76 120.40 112.81 1h2i s VAL 124 Ca 0.30 -0.67 0.05 0.00 -1.81 0.00 0.00 61.98 59.85 1h2i s VAL 124 Cb 0.01 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1h2i s VAL 124 CO 0.15 0.02 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.01 1h2i s GLY 125 N -2.83 1.01 0.08 2.32 0.00 0.16 -4.46 107.32 103.60 1h2i s GLY 125 Ca 0.33 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 43.80 1h2i s GLY 125 CO 0.26 -1.39 -0.18 -0.47 0.00 0.00 0.00 173.10 171.33 1h2i s TYR 126 N -2.53 1.51 -0.03 1.90 5.04 -1.26 -1.75 117.35 120.23 1h2i s TYR 126 Ca 0.10 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.33 1h2i s TYR 126 Cb -0.02 -0.84 0.00 0.00 0.35 0.00 0.00 41.96 41.45 1h2i s TYR 126 CO 0.02 0.12 -0.10 0.20 -1.34 0.00 0.00 175.55 174.45 1h2i s GLY 127 N -1.74 0.58 0.03 8.97 0.00 0.20 -3.78 107.32 111.57 1h2i s GLY 127 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1h2i s GLY 127 CO 0.03 -0.13 -0.12 0.14 0.00 0.00 0.00 173.10 173.02 1h2i s VAL 128 N 0.16 0.97 -0.17 1.40 1.01 -1.26 -0.87 120.40 121.65 1h2i s VAL 128 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1h2i s VAL 128 Cb -0.09 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.49 1h2i s VAL 128 CO 0.01 0.02 0.17 -0.55 0.00 0.00 0.00 175.10 174.75 1h2i s SER 129 N -0.94 1.47 -0.09 3.32 0.15 -0.69 -4.55 113.70 112.37 1h2i s SER 129 Ca 0.01 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1h2i s SER 129 Cb -0.07 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1h2i s SER 129 CO 0.01 -0.31 -0.12 -1.61 1.20 0.00 0.00 173.24 172.40 1h2i s GLU 130 N 2.27 1.81 0.00 5.44 2.02 -1.26 -0.61 118.70 128.38 1h2i s GLU 130 Ca 0.05 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1h2i s GLU 130 Cb -0.15 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.51 1h2i s GLU 130 CO -0.10 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1h2i n GLY 131 N 4.13 2.54 3.78 -1.39 0.00 -0.41 -5.01 105.19 108.83 1h2i n GLY 131 Ca -0.20 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 2.96 0.00 0.99 1.43 -1.25 -4.62 118.68 118.19 1h2i s LEU 132 Ca 0.00 1.70 0.22 0.00 -1.03 0.00 0.00 54.13 55.01 1h2i s LEU 132 Cb 0.00 -4.42 -0.15 0.00 0.03 0.00 0.00 46.19 41.65 1h2i s LEU 132 CO 0.00 -1.91 0.86 0.29 0.23 0.00 0.00 176.35 175.83 1h2i n LYS 133 N -3.43 0.21 -3.15 1.70 5.02 -1.26 -0.86 118.16 116.38 1h2i n LYS 133 Ca 0.08 -0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 1h2i n LYS 133 Cb 0.54 -1.52 -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 -3.54 6.55 0.04 4.39 0.15 -1.26 -4.81 113.70 115.23 1h2i s SER 134 Ca 0.04 0.67 -0.23 0.00 0.70 0.00 0.00 55.95 57.13 1h2i s SER 134 Cb 0.15 -2.32 -0.16 0.00 -1.71 0.00 0.00 66.02 61.99 1h2i s SER 134 CO 0.85 -0.32 1.49 0.50 1.20 0.00 0.00 173.24 176.96 1h2i h LYS 135 N 7.84 0.11 -0.12 5.44 3.64 -1.98 -1.52 116.57 129.97 1h2i h LYS 135 Ca -0.28 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1h2i h LYS 135 Cb 1.13 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1h2i h LYS 135 CO 0.76 0.35 -0.15 0.00 -2.27 0.00 0.00 179.45 178.14 1h2i h ALA 136 N 0.75 -0.08 -0.05 5.00 0.00 -1.99 0.46 119.26 123.35 1h2i h ALA 136 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 136 Cb 0.30 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1h2i h ALA 136 CO 0.00 -0.60 -0.15 -0.07 0.00 0.00 0.00 179.25 178.43 1h2i h LEU 137 N -0.19 0.08 -0.11 0.00 -0.00 -1.96 -0.91 115.31 112.22 1h2i h LEU 137 Ca 0.09 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.88 1h2i h LEU 137 Cb 0.32 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1h2i h LEU 137 CO -0.24 0.24 -0.22 0.28 -0.00 0.00 0.00 178.44 178.51 1h2i h SER 138 N 0.08 0.38 -0.64 -0.43 0.02 -0.40 -2.09 113.55 110.47 1h2i h SER 138 Ca 0.02 -0.56 -0.03 0.00 -0.84 0.00 0.00 61.79 60.38 1h2i h SER 138 Cb 0.32 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1h2i h SER 138 CO 0.02 0.87 0.27 -0.07 -1.14 0.00 0.00 176.83 176.78 1h2i h LEU 139 N -0.09 0.87 -0.49 5.07 -0.00 -0.65 -1.82 115.31 118.20 1h2i h LEU 139 Ca 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.71 1h2i h LEU 139 Cb 0.80 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1h2i h LEU 139 CO 0.05 0.79 0.24 -0.08 -0.00 0.00 0.00 178.44 179.44 1h2i h GLU 140 N 0.90 0.71 -0.28 1.13 4.81 -1.18 -0.04 114.58 120.63 1h2i h GLU 140 Ca 0.22 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1h2i h GLU 140 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1h2i h GLU 140 CO -0.02 0.60 0.09 -0.22 -0.73 0.00 0.00 179.01 178.73 1h2i h LYS 141 N 0.65 0.43 -0.37 1.92 3.64 -1.18 -2.15 116.57 119.51 1h2i h LYS 141 Ca 0.17 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1h2i h LYS 141 Cb 0.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1h2i h LYS 141 CO -0.02 0.49 -0.06 0.00 -2.27 0.00 0.00 179.45 177.59 1h2i h ALA 142 N 0.92 0.50 -0.33 5.00 0.00 -1.16 -1.83 119.26 122.36 1h2i h ALA 142 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1h2i h ALA 142 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1h2i h ALA 142 CO -0.00 0.33 0.10 0.00 0.00 0.00 0.00 179.25 179.68 1h2i h ARG 143 N 0.49 0.52 -0.50 0.00 3.08 -1.01 -2.20 114.38 114.76 1h2i h ARG 143 Ca 0.10 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1h2i h ARG 143 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1h2i h ARG 143 CO 0.03 0.55 0.20 0.87 -1.07 0.00 0.00 179.97 180.55 1h2i h LYS 144 N 0.38 0.74 -0.15 0.04 1.57 -1.32 -2.78 116.57 115.05 1h2i h LYS 144 Ca 0.11 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1h2i h LYS 144 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1h2i h LYS 144 CO -0.00 0.66 -0.35 0.93 -0.57 0.00 0.00 179.45 180.12 1h2i h GLU 145 N 0.66 0.32 -0.75 3.15 5.08 -1.34 -2.06 114.58 119.63 1h2i h GLU 145 Ca 0.17 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1h2i h GLU 145 Cb 0.19 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1h2i h GLU 145 CO -0.01 0.63 0.49 0.00 -1.00 0.00 0.00 179.01 179.12 1h2i h ALA 146 N 1.36 0.96 -0.01 3.43 0.00 -1.21 0.47 119.26 124.26 1h2i h ALA 146 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 146 Cb 0.75 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h2i h ALA 146 CO 0.06 0.39 -0.00 0.28 0.00 0.00 0.00 179.25 179.98 1h2i h VAL 147 N 1.02 1.25 -0.58 0.00 2.07 -1.18 -0.01 116.25 118.83 1h2i h VAL 147 Ca 0.27 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1h2i h VAL 147 Cb -0.09 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1h2i h VAL 147 CO -0.06 0.20 0.33 0.74 0.02 0.00 0.00 177.57 178.80 1h2i h THR 148 N -0.30 1.18 -0.47 2.57 2.02 -1.16 0.47 112.91 117.23 1h2i h THR 148 Ca 0.00 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1h2i h THR 148 Cb 0.32 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1h2i h THR 148 CO 0.00 0.19 0.25 -0.78 0.37 0.00 0.00 175.52 175.55 1h2i h ASP 149 N 0.78 0.38 -0.72 4.18 -0.00 0.05 0.48 116.42 121.57 1h2i h ASP 149 Ca 0.20 0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.20 1h2i h ASP 149 Cb 0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 39.26 1h2i h ASP 149 CO -0.04 0.27 0.26 1.23 -0.00 0.00 0.00 179.24 180.96 1h2i h GLY 150 N 0.50 1.18 0.95 -0.78 0.00 -0.42 -0.85 103.07 103.66 1h2i h GLY 150 Ca 0.20 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1h2i h GLY 150 CO -0.12 0.62 0.17 -2.00 0.00 0.00 0.00 176.54 175.21 1h2i h LEU 151 N 1.07 0.41 -0.84 3.11 5.85 -0.19 0.08 115.31 124.81 1h2i h LEU 151 Ca 0.24 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1h2i h LEU 151 Cb 0.25 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1h2i h LEU 151 CO -0.01 0.40 0.48 0.11 -0.34 0.00 0.00 178.44 179.08 1h2i h LYS 152 N 0.39 1.16 -0.36 1.25 1.57 -0.58 -1.48 116.57 118.53 1h2i h LYS 152 Ca 0.11 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1h2i h LYS 152 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1h2i h LYS 152 CO -0.02 0.84 -0.23 0.00 -0.57 0.00 0.00 179.45 179.47 1h2i h ARG 153 N 1.17 0.79 -0.22 3.15 3.08 -0.86 -2.28 114.38 119.22 1h2i h ARG 153 Ca 0.30 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1h2i h ARG 153 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1h2i h ARG 153 CO -0.05 1.00 0.11 0.00 -1.07 0.00 0.00 179.97 179.96 1h2i h ALA 154 N 0.78 0.26 -0.20 0.04 0.00 -0.76 -2.61 119.26 116.78 1h2i h ALA 154 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1h2i h ALA 154 Cb 0.79 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1h2i h ALA 154 CO 0.06 -0.29 0.13 -0.07 0.00 0.00 0.00 179.25 179.08 1h2i h LEU 155 N 0.24 0.22 -1.35 0.00 4.07 -1.21 -2.51 115.31 114.78 1h2i h LEU 155 Ca 0.09 -0.01 0.17 0.00 0.08 0.00 0.00 57.88 58.21 1h2i h LEU 155 Cb 0.01 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.62 1h2i h LEU 155 CO -0.05 0.16 0.58 0.03 -1.08 0.00 0.00 178.44 178.08 1h2i h ARG 156 N 0.26 0.56 -0.09 1.13 3.08 -1.00 -1.84 114.38 116.48 1h2i h ARG 156 Ca 0.07 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1h2i h ARG 156 Cb -0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1h2i h ARG 156 CO -0.02 0.37 0.35 0.77 -1.07 0.00 0.00 179.97 180.38 1h2i h SER 157 N 0.58 0.00 1.60 7.04 0.02 -1.53 -0.55 113.55 120.71 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 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 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 -1.54 -3.49 116.94 114.36 1h2i h PHE 158 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1h2i h PHE 158 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 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 1.13 0.69 0.09 -1.45 0.00 -0.22 -4.93 105.19 100.51 1h2i n GLY 159 Ca 0.05 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 0.18 -0.18 1.61 2.35 -1.59 -1.11 115.58 116.84 1h2i h ASN 160 Ca 0.00 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1h2i h ASN 160 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1h2i h ASN 160 CO 0.00 0.13 0.40 0.00 -1.65 0.00 0.00 177.43 176.31 1h2i h ALA 161 N 1.05 1.69 -0.54 -0.83 0.00 0.10 0.46 119.26 121.20 1h2i h ALA 161 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 161 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h2i h ALA 161 CO -0.01 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.02 1h2i n LEU 162 N -3.23 4.41 0.00 0.00 7.99 -0.83 -4.92 117.00 120.43 1h2i n LEU 162 Ca 0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 56.01 53.52 1h2i n LEU 162 Cb 0.50 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1h2i n LEU 162 CO 0.19 0.77 0.00 0.61 -1.51 0.00 0.00 177.39 177.45 1h2i n GLY 163 N 0.75 0.82 0.30 -0.72 0.00 0.16 -3.89 105.19 102.61 1h2i n GLY 163 Ca 0.23 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.21 1.61 -0.00 -1.10 -2.69 115.58 113.19 1h2i h ASN 164 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 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 0.02 -0.31 0.00 -0.00 0.00 0.00 177.43 177.14 1h2i n ILE 166 N -4.32 -0.00 0.02 0.00 0.00 -1.01 0.13 119.36 114.17 1h2i n ILE 166 Ca -0.05 0.50 0.05 0.00 0.00 0.00 0.00 62.75 63.25 1h2i n ILE 166 Cb 0.48 -0.84 0.12 0.00 0.00 0.00 0.00 39.64 39.40 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 -2.65 2.58 -4.56 9.51 -0.00 -1.26 -4.90 117.00 115.73 1h2i n LEU 167 Ca 0.15 -1.70 -0.42 0.00 -0.00 0.00 0.00 56.01 54.04 1h2i n LEU 167 Cb 0.68 -0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 1h2i n LEU 167 CO 0.15 0.61 1.03 -0.62 -0.00 0.00 0.00 177.39 178.56 1h2i s ASP 168 N -0.97 6.37 0.45 1.45 3.68 0.34 -4.92 116.67 123.07 1h2i s ASP 168 Ca 0.19 -0.10 0.23 0.00 2.13 0.00 0.00 52.55 55.00 1h2i s ASP 168 Cb 0.11 -2.53 1.22 0.00 -1.45 0.00 0.00 42.92 40.27 1h2i s ASP 168 CO 0.15 -1.50 1.83 0.11 0.13 0.00 0.00 175.17 175.89 1h2i h LYS 169 N 9.58 0.27 -0.03 4.34 1.57 -1.90 0.57 116.57 130.96 1h2i h LYS 169 Ca -0.26 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 1h2i h LYS 169 Cb 1.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.18 0.18 -0.54 -0.44 -0.57 0.00 0.00 179.45 179.26 1h2i h ASP 170 N 0.28 0.10 -0.05 0.86 3.32 -1.96 -0.30 116.42 118.66 1h2i h ASP 170 Ca 0.50 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.45 1h2i h ASP 170 Cb 1.48 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1h2i h ASP 170 CO -0.16 0.62 -0.17 0.22 -1.72 0.00 0.00 179.24 178.03 1h2i h TYR 171 N 0.07 0.28 -0.29 4.55 3.20 -1.30 -2.31 116.97 121.16 1h2i h TYR 171 Ca -0.00 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.80 1h2i h TYR 171 Cb 0.98 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1h2i h TYR 171 CO 0.01 0.79 0.06 -0.07 -1.64 0.00 0.00 178.16 177.31 1h2i h LEU 172 N -0.32 0.02 -0.02 2.82 3.38 -1.03 -1.21 115.31 118.96 1h2i h LEU 172 Ca -0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1h2i h LEU 172 Cb 0.80 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1h2i h LEU 172 CO 0.04 0.05 -0.28 -0.09 0.09 0.00 0.00 178.44 178.24 1h2i h ARG 173 N 0.17 -0.40 0.00 1.13 2.43 -1.07 -0.36 114.38 116.29 1h2i h ARG 173 Ca 0.14 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1h2i h ARG 173 Cb 0.14 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1h2i h ARG 173 CO -0.17 -0.27 0.00 -1.13 -1.51 0.00 0.00 179.97 176.89 1h2i n SER 174 N -5.39 0.00 0.07 -3.80 3.41 -0.87 -1.94 113.62 105.09 1h2i n SER 174 Ca -0.04 0.19 -0.19 0.00 -0.26 0.00 0.00 58.87 58.57 1h2i n SER 174 Cb 0.31 -0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.47 -1.50 1.04 3.38 0.16 -3.30 115.31 115.56 1h2i h LEU 175 Ca 0.00 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1h2i h LEU 175 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1h2i h LEU 175 CO 0.00 1.54 -0.15 0.78 0.09 0.00 0.00 178.44 180.70 1h2i h ASN 176 N 0.08 0.13 0.00 -0.43 2.35 -0.68 -2.56 115.58 114.47 1h2i h ASN 176 Ca -0.26 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1h2i h ASN 176 Cb 2.04 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.38 1h2i h ASN 176 CO 0.17 0.30 0.00 0.29 -1.65 0.00 0.00 177.43 176.54 1h2i n LYS 177 N -4.29 1.00 -4.61 0.81 5.02 -1.16 -4.83 118.16 110.09 1h2i n LYS 177 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1h2i n LYS 177 Cb 0.26 -1.18 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 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 2.82 0.34 -0.35 1.43 -0.97 -5.08 118.68 116.88 1h2i s LEU 178 Ca 0.00 -1.38 -0.28 0.00 -1.03 0.00 0.00 54.13 51.44 1h2i s LEU 178 Cb 0.00 -0.86 -0.10 0.00 0.03 0.00 0.00 46.19 45.26 1h2i s LEU 178 CO 0.00 -0.47 1.21 -2.84 0.23 0.00 0.00 176.35 174.47 1h2i s PRO 179 N -3.73 4.34 0.00 1.29 0.02 -1.26 -5.01 135.00 130.66 1h2i s PRO 179 Ca 0.34 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1h2i s PRO 179 Cb 0.10 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.63 1h2i s PRO 179 CO 0.17 -0.11 0.00 0.54 -0.33 0.00 0.00 177.00 177.27 1h2i n ARG 180 N 0.69 1.04 -3.03 5.54 1.74 -1.26 -5.02 116.66 116.36 1h2i n ARG 180 Ca 0.01 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1h2i n ARG 180 Cb 0.44 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.72 0.54 0.55 5.56 0.74 -1.26 -5.11 119.66 119.95 1h2i s GLN 181 Ca 0.00 -0.14 -0.20 0.00 0.05 0.00 0.00 55.36 55.06 1h2i s GLN 181 Cb 0.00 0.07 -0.07 0.00 1.10 0.00 0.00 33.01 34.12 1h2i s GLN 181 CO 0.00 -0.79 0.94 1.47 -0.55 0.00 0.00 175.29 176.36 1h2i n LEU 182 N 4.18 3.16 -4.71 3.68 -0.00 -1.26 -4.80 117.00 117.25 1h2i n LEU 182 Ca 0.09 0.87 -0.61 0.00 -0.00 0.00 0.00 56.01 56.35 1h2i n LEU 182 Cb 0.59 -1.36 -0.08 0.00 -0.00 0.00 0.00 43.42 42.57 1h2i n LEU 182 CO -0.05 -1.83 1.19 -2.65 -0.00 0.00 0.00 177.39 174.05 1h2i n PRO 183 N -0.59 0.65 -2.90 1.47 -0.02 -1.26 -4.88 135.00 127.48 1h2i n PRO 183 Ca 0.12 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 1h2i n PRO 183 Cb 0.45 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 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 2.92 4.10 0.68 2.45 0.20 -1.26 -5.02 118.68 122.75 1h2i s LEU 184 Ca 0.99 0.22 -0.17 0.00 0.69 0.00 0.00 54.13 55.87 1h2i s LEU 184 Cb -1.24 -3.09 -0.07 0.00 -0.43 0.00 0.00 46.19 41.36 1h2i s LEU 184 CO 0.70 -0.88 0.39 -0.62 -0.29 0.00 0.00 176.35 175.65 1h2i n GLU 185 N 6.74 0.30 -4.22 1.98 -0.58 -1.26 -4.99 120.64 118.62 1h2i n GLU 185 Ca 0.04 0.13 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 1h2i n GLU 185 Cb 0.48 -1.67 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 1h2i n GLU 185 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1h2i s VAL 186 N -1.88 4.34 -0.75 2.62 1.01 -1.26 -5.07 120.40 119.41 1h2i s VAL 186 Ca 0.64 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 1h2i s VAL 186 Cb -0.38 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1h2i s VAL 186 CO 0.59 0.49 1.09 -0.62 0.00 0.00 0.00 175.10 176.64 1h2i s ASP 187 N 0.28 6.28 -0.14 3.32 3.68 -1.26 -4.89 116.67 123.94 1h2i s ASP 187 Ca 0.00 -1.15 0.12 0.00 2.13 0.00 0.00 52.55 53.66 1h2i s ASP 187 Cb -0.13 -2.45 0.59 0.00 -1.45 0.00 0.00 42.92 39.48 1h2i s ASP 187 CO 0.02 -1.44 1.44 0.18 0.13 0.00 0.00 175.17 175.49 1h2i n LEU 188 N 7.85 4.24 -0.07 -1.34 4.77 -1.26 -4.25 117.00 126.95 1h2i n LEU 188 Ca 0.06 -2.15 -0.15 0.00 -0.03 0.00 0.00 56.01 53.74 1h2i n LEU 188 Cb 0.47 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1h2i n LEU 188 CO 0.63 0.58 0.40 0.71 -1.33 0.00 0.00 177.39 178.38 1h2i h THR 189 N 3.07 1.28 -0.35 -5.08 1.35 -2.05 -3.09 112.91 108.04 1h2i h THR 189 Ca 0.00 -1.77 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 1h2i h THR 189 Cb 1.43 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 1h2i h THR 189 CO 0.29 0.57 0.02 0.29 -0.25 0.00 0.00 175.52 176.45 1h2i n LYS 190 N -4.02 3.20 -1.12 4.72 5.02 -1.26 -4.96 118.16 119.74 1h2i n LYS 190 Ca -0.05 -1.84 -0.33 0.00 -2.02 0.00 0.00 58.31 54.07 1h2i n LYS 190 Cb 0.64 -1.94 0.12 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.03 1.87 0.16 7.82 0.00 -1.17 -4.99 121.76 123.42 1h2i s ALA 191 Ca 0.32 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 1h2i s ALA 191 Cb 0.25 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 1h2i s ALA 191 CO 0.09 -2.24 0.83 0.21 0.00 0.00 0.00 175.76 174.66 1h2i s LYS 192 N -4.29 4.64 0.00 0.00 2.20 -1.26 -4.96 119.74 116.08 1h2i s LYS 192 Ca 0.70 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 1h2i s LYS 192 Cb -0.26 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1h2i s LYS 192 CO 0.51 0.48 0.24 2.89 -0.36 0.00 0.00 175.35 179.11 1h2i n ARG 193 N 1.86 0.04 -3.82 4.03 1.85 -1.26 -5.06 116.66 114.30 1h2i n ARG 193 Ca -0.03 -0.25 -0.11 0.00 -1.00 0.00 0.00 57.85 56.45 1h2i n ARG 193 Cb 0.49 -0.53 -0.09 0.00 -1.05 0.00 0.00 32.46 31.28 1h2i n ARG 193 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1h2i s GLN 194 N -0.03 0.67 0.13 2.89 -0.21 -1.26 -5.07 119.66 116.79 1h2i s GLN 194 Ca 0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 55.36 54.79 1h2i s GLN 194 Cb 0.00 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.23 1h2i s GLN 194 CO 0.00 -0.19 1.44 -0.44 -2.12 0.00 0.00 175.29 173.98 1h2i h ASP 195 N 3.65 0.99 -1.66 5.90 3.45 -2.05 -3.45 116.42 123.24 1h2i h ASP 195 Ca -0.31 -0.50 -0.69 0.00 0.43 0.00 0.00 57.03 55.96 1h2i h ASP 195 Cb 1.19 -0.28 0.04 0.00 -0.56 0.00 0.00 39.33 39.72 1h2i h ASP 195 CO 0.45 1.30 0.58 -0.11 -1.57 0.00 0.00 179.24 179.89 1h2i n LEU 196 N -4.03 1.88 -3.71 1.55 -0.00 -1.26 -4.97 117.00 106.47 1h2i n LEU 196 Ca -0.03 1.11 -0.28 0.00 -0.00 0.00 0.00 56.01 56.81 1h2i n LEU 196 Cb 0.60 -1.18 -0.11 0.00 -0.00 0.00 0.00 43.42 42.72 1h2i n LEU 196 CO 0.50 -0.86 -0.08 -0.62 -0.00 0.00 0.00 177.39 176.32 1h2i n GLU 197 N 3.31 1.58 -0.31 1.96 -0.58 -1.26 -5.01 120.64 120.33 1h2i n GLU 197 Ca 0.20 -4.22 0.11 0.00 -0.42 0.00 0.00 57.16 52.83 1h2i n GLU 197 Cb 0.18 -2.12 0.23 0.00 -0.57 0.00 0.00 31.44 29.16 1h2i n GLU 197 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h2i h PRO 198 N 5.21 0.07 -0.23 3.49 0.11 -1.98 0.88 132.00 139.54 1h2i h PRO 198 Ca 0.18 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1h2i h PRO 198 Cb 0.77 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1h2i h PRO 198 CO 0.66 0.04 0.11 0.77 -0.21 0.00 0.00 178.00 179.37 1h2i h SER 199 N 0.07 0.30 -0.63 -2.05 0.02 -1.99 -1.10 113.55 108.16 1h2i h SER 199 Ca 0.52 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1h2i h SER 199 Cb 1.01 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1h2i h SER 199 CO -0.80 0.33 0.38 0.58 -1.14 0.00 0.00 176.83 176.18 1h2i h VAL 200 N 0.24 1.18 -1.00 2.27 2.07 -1.67 -0.53 116.25 118.81 1h2i h VAL 200 Ca 0.08 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1h2i h VAL 200 Cb 0.12 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1h2i h VAL 200 CO -0.01 0.19 0.66 -0.08 0.02 0.00 0.00 177.57 178.35 1h2i h GLU 201 N 0.85 1.32 0.35 1.57 4.57 -0.61 0.10 114.58 122.73 1h2i h GLU 201 Ca 0.23 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1h2i h GLU 201 Cb -0.02 -0.30 0.00 0.00 -0.16 0.00 0.00 28.75 28.27 1h2i h GLU 201 CO -0.04 0.87 -0.17 0.93 -1.18 0.00 0.00 179.01 179.42 1h2i h GLU 202 N 1.36 -0.45 -0.79 1.92 5.08 -0.74 -2.59 114.58 118.36 1h2i h GLU 202 Ca 0.37 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.98 1h2i h GLU 202 Cb -0.15 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1h2i h GLU 202 CO -0.08 -0.13 0.56 0.00 -1.00 0.00 0.00 179.01 178.37 1h2i h ALA 203 N -0.47 2.67 -0.31 3.43 0.00 -0.86 0.30 119.26 124.01 1h2i h ALA 203 Ca -0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1h2i h ALA 203 Cb 0.53 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1h2i h ALA 203 CO 0.08 -0.90 -0.52 -0.09 0.00 0.00 0.00 179.25 177.82 1h2i h ARG 204 N 0.05 0.89 -0.65 0.00 2.43 -0.86 -2.53 114.38 113.72 1h2i h ARG 204 Ca 0.38 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1h2i h ARG 204 Cb 1.44 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 1h2i h ARG 204 CO -0.03 1.19 0.16 -0.92 -1.51 0.00 0.00 179.97 178.87 1h2i h TYR 205 N 0.69 1.08 0.00 2.20 3.20 -0.56 -2.23 116.97 121.35 1h2i h TYR 205 Ca 0.02 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1h2i h TYR 205 Cb 1.13 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1h2i h TYR 205 CO 0.07 0.90 0.00 0.09 -1.64 0.00 0.00 178.16 177.58 1h2i n ASN 206 N -4.31 0.32 0.00 -2.11 4.13 -0.78 -2.58 115.26 109.93 1h2i n ASN 206 Ca 0.04 0.58 -0.10 0.00 1.68 0.00 0.00 54.58 56.78 1h2i n ASN 206 Cb 0.24 -0.65 -0.14 0.00 -1.54 0.00 0.00 39.78 37.70 1h2i n ASN 206 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1h2i h SER 207 N 0.00 0.08 -0.31 6.41 4.64 -0.96 -3.27 113.55 120.13 1h2i h SER 207 Ca 0.00 -0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1h2i h SER 207 Cb 0.30 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1h2i h SER 207 CO 0.00 1.12 0.21 0.00 -0.87 0.00 0.00 176.83 177.29