#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9i s TYR 2 N 0.00 2.53 0.18 3.17 2.02 -1.26 -5.10 117.35 118.89 2c9i s TYR 2 Ca 0.00 -0.29 -0.33 0.00 -0.37 0.00 0.00 57.07 56.08 2c9i s TYR 2 Cb 0.00 -1.54 -0.14 0.00 -0.40 0.00 0.00 41.96 39.88 2c9i s TYR 2 CO 0.00 0.12 1.54 -2.30 -1.57 0.00 0.00 175.55 173.34 2c9i n PRO 3 N 2.17 2.13 -0.32 -1.71 -0.02 -1.26 -2.66 135.00 133.33 2c9i n PRO 3 Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2c9i n PRO 3 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2c9i n PRO 3 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2c9i n SER 4 N 3.07 0.00 -4.37 2.55 7.64 -1.26 -4.83 113.62 116.42 2c9i n SER 4 Ca 0.15 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.59 2c9i n SER 4 Cb 0.30 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 2c9i n SER 4 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2c9i s ILE 5 N -2.77 5.22 0.81 0.44 -1.09 -1.09 -4.97 121.20 117.76 2c9i s ILE 5 Ca 0.00 -1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 57.17 2c9i s ILE 5 Cb 0.00 -4.17 0.08 0.00 -1.58 0.00 0.00 42.46 36.79 2c9i s ILE 5 CO 0.00 -0.64 1.14 -0.54 -1.23 0.00 0.00 174.94 173.66 2c9i s LYS 6 N 1.66 1.96 0.59 2.79 1.02 -1.26 -4.68 119.74 121.82 2c9i s LYS 6 Ca 0.04 0.33 0.37 0.00 0.02 0.00 0.00 55.97 56.73 2c9i s LYS 6 Cb -0.25 -1.93 1.84 0.00 -0.52 0.00 0.00 37.83 36.97 2c9i s LYS 6 CO 0.06 -1.64 2.17 0.93 -0.92 0.00 0.00 175.35 175.95 2c9i h GLU 7 N -1.10 0.00 -3.69 1.68 5.08 -1.97 -3.41 114.58 111.16 2c9i h GLU 7 Ca -0.47 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.55 2c9i h GLU 7 Cb 1.30 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.21 2c9i h GLU 7 CO 0.63 0.03 -0.74 -0.08 -1.00 0.00 0.00 179.01 177.84 2c9i s THR 8 N -4.00 0.15 0.15 1.13 -1.32 -1.26 -4.03 115.64 106.46 2c9i s THR 8 Ca -0.02 0.10 0.09 0.00 -1.21 0.00 0.00 61.69 60.64 2c9i s THR 8 Cb 0.12 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 2c9i s THR 8 CO 0.50 0.14 -0.19 -0.04 -2.21 0.00 0.00 174.62 172.81 2c9i s MET 9 N 1.03 1.25 0.20 7.08 -1.94 -0.89 -5.00 119.30 121.04 2c9i s MET 9 Ca -0.10 -1.36 0.06 0.00 -1.71 0.00 0.00 55.69 52.59 2c9i s MET 9 Cb -0.13 -1.38 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 2c9i s MET 9 CO -0.02 0.29 0.14 1.03 -0.01 0.00 0.00 175.02 176.45 2c9i s ARG 10 N -2.58 2.85 -0.08 2.03 0.52 -0.50 -1.90 118.95 119.28 2c9i s ARG 10 Ca 0.14 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 2c9i s ARG 10 Cb -0.07 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.84 2c9i s ARG 10 CO 0.06 0.45 -0.14 0.08 0.02 0.00 0.00 175.30 175.77 2c9i s VAL 11 N -1.92 1.32 -0.18 3.52 1.01 0.30 0.03 120.40 124.49 2c9i s VAL 11 Ca 0.31 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2c9i s VAL 11 Cb -0.09 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2c9i s VAL 11 CO 0.23 0.40 -0.18 -1.58 0.00 0.00 0.00 175.10 173.97 2c9i s GLN 12 N 0.71 3.04 -0.01 2.72 2.00 -0.62 -1.81 119.66 125.69 2c9i s GLN 12 Ca -0.13 -0.81 0.05 0.00 -2.00 0.00 0.00 55.36 52.47 2c9i s GLN 12 Cb -0.16 -2.61 -0.01 0.00 0.80 0.00 0.00 33.01 31.03 2c9i s GLN 12 CO 0.03 -0.20 -0.15 -1.17 -0.50 0.00 0.00 175.29 173.31 2c9i s LEU 13 N 1.28 2.01 -0.04 3.68 0.20 0.29 -0.29 118.68 125.81 2c9i s LEU 13 Ca 0.04 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.64 2c9i s LEU 13 Cb -0.13 -0.77 -0.01 0.00 -0.43 0.00 0.00 46.19 44.85 2c9i s LEU 13 CO -0.11 0.18 -0.18 -0.94 -0.29 0.00 0.00 176.35 175.01 2c9i s SER 14 N -0.31 2.17 -0.03 3.68 1.04 -0.06 -0.71 113.70 119.48 2c9i s SER 14 Ca 0.05 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2c9i s SER 14 Cb -0.06 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.56 2c9i s SER 14 CO -0.00 0.17 -0.06 -0.32 0.98 0.00 0.00 173.24 174.01 2c9i s MET 15 N -0.09 0.83 0.01 4.02 0.00 0.13 -0.20 119.30 124.00 2c9i s MET 15 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 55.69 55.49 2c9i s MET 15 Cb -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 34.83 33.92 2c9i s MET 15 CO 0.01 0.02 -0.03 -1.83 0.00 0.00 0.00 175.02 173.20 2c9i s GLU 16 N 0.48 0.24 0.00 4.11 -1.05 -0.92 0.27 118.70 121.83 2c9i s GLU 16 Ca -0.07 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2c9i s GLU 16 Cb -0.11 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 2c9i s GLU 16 CO 0.00 0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.63 2c9i n GLY 17 N 2.30 -0.59 3.51 -3.83 0.00 -0.92 -1.97 105.19 103.68 2c9i n GLY 17 Ca -0.18 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 2c9i n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9i s SER 18 N -4.00 -0.62 -0.07 1.61 1.04 -1.04 -1.11 113.70 109.52 2c9i s SER 18 Ca 0.00 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2c9i s SER 18 Cb 0.00 0.90 0.02 0.00 0.10 0.00 0.00 66.02 67.04 2c9i s SER 18 CO 0.00 -0.40 -0.05 -0.69 0.98 0.00 0.00 173.24 173.08 2c9i s VAL 19 N -0.45 0.68 -1.09 5.02 1.01 -0.63 -0.27 120.40 124.68 2c9i s VAL 19 Ca -0.06 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 2c9i s VAL 19 Cb -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2c9i s VAL 19 CO 0.05 0.28 0.74 0.59 0.00 0.00 0.00 175.10 176.76 2c9i n ASN 20 N 4.50 -5.15 0.00 3.32 5.03 -0.46 -2.11 115.26 120.39 2c9i n ASN 20 Ca -0.17 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.26 2c9i n ASN 20 Cb 0.51 -2.85 0.00 0.00 -1.02 0.00 0.00 39.78 36.41 2c9i n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2c9i n TYR 21 N -4.04 0.00 -3.55 3.10 4.02 -1.26 -4.98 117.16 110.45 2c9i n TYR 21 Ca -0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.36 2c9i n TYR 21 Cb 0.59 -0.30 -0.11 0.00 -0.02 0.00 0.00 39.34 39.50 2c9i n TYR 21 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2c9i s HIS 22 N -2.50 3.23 0.29 -0.72 2.46 -0.90 -5.08 115.29 112.08 2c9i s HIS 22 Ca 0.00 -0.60 -0.20 0.00 0.47 0.00 0.00 55.06 54.73 2c9i s HIS 22 Cb 0.00 -2.48 -0.09 0.00 -0.13 0.00 0.00 32.58 29.88 2c9i s HIS 22 CO 0.00 -0.53 0.79 0.00 -2.47 0.00 0.00 174.74 172.54 2c9i s ALA 23 N 1.64 3.31 0.15 1.58 0.00 -1.26 -1.60 121.76 125.58 2c9i s ALA 23 Ca 0.04 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 2c9i s ALA 23 Cb -0.18 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2c9i s ALA 23 CO 0.09 0.28 0.39 -0.59 0.00 0.00 0.00 175.76 175.92 2c9i s PHE 24 N -1.73 -0.01 0.02 0.00 -0.12 -0.27 -4.44 117.98 111.42 2c9i s PHE 24 Ca 0.49 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 2c9i s PHE 24 Cb -0.14 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 2c9i s PHE 24 CO 0.20 -0.76 -0.07 0.15 -0.05 0.00 0.00 175.22 174.69 2c9i s LYS 25 N -3.87 0.49 0.01 1.99 1.02 -0.34 -2.16 119.74 116.89 2c9i s LYS 25 Ca 0.08 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.65 2c9i s LYS 25 Cb 0.02 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 2c9i s LYS 25 CO -0.06 0.09 -0.05 0.00 -0.92 0.00 0.00 175.35 174.41 2c9i s THR 27 N -0.66 2.17 -0.05 0.00 -4.23 -0.63 0.17 115.64 112.41 2c9i s THR 27 Ca -0.04 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2c9i s THR 27 Cb -0.05 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.82 2c9i s THR 27 CO -0.00 -0.14 0.10 -0.83 -0.54 0.00 0.00 174.62 173.21 2c9i s GLY 28 N -2.55 0.02 -0.09 3.99 0.00 0.11 -1.48 107.32 107.32 2c9i s GLY 28 Ca 0.18 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.48 2c9i s GLY 28 CO 0.08 0.90 -0.22 0.54 0.00 0.00 0.00 173.10 174.41 2c9i s LYS 29 N 1.16 2.72 0.08 2.90 1.02 -0.70 -0.55 119.74 126.37 2c9i s LYS 29 Ca -0.09 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.08 2c9i s LYS 29 Cb -0.12 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 2c9i s LYS 29 CO -0.05 0.17 0.18 0.41 -0.92 0.00 0.00 175.35 175.14 2c9i n GLY 30 N 3.51 1.71 3.72 -3.33 0.00 -0.75 -0.16 105.19 109.89 2c9i n GLY 30 Ca -0.20 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 2c9i n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2c9i s GLU 31 N -2.02 1.64 0.00 1.61 1.03 -0.69 -0.54 118.70 119.74 2c9i s GLU 31 Ca 0.04 -0.92 -0.28 0.00 0.03 0.00 0.00 54.97 53.84 2c9i s GLU 31 Cb -0.01 0.58 0.10 0.00 -0.80 0.00 0.00 34.13 34.00 2c9i s GLU 31 CO 0.02 -0.73 1.26 0.20 -1.33 0.00 0.00 175.26 174.68 2c9i s GLY 32 N -2.90 -0.15 -0.39 -3.83 0.00 -0.80 -0.45 107.32 98.80 2c9i s GLY 32 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 2c9i s GLY 32 CO 0.03 4.44 0.18 0.54 0.00 0.00 0.00 173.10 178.29 2c9i s LYS 33 N -2.10 2.24 0.22 2.90 -0.14 0.50 -2.10 119.74 121.27 2c9i s LYS 33 Ca 0.26 -1.62 -0.08 0.00 -1.36 0.00 0.00 55.97 53.17 2c9i s LYS 33 Cb 0.00 -3.56 0.23 0.00 -1.68 0.00 0.00 37.83 32.82 2c9i s LYS 33 CO -0.01 -0.96 1.88 -1.35 -0.76 0.00 0.00 175.35 174.16 2c9i h PRO 34 N 8.13 1.01 0.00 -1.68 0.11 -1.79 0.33 132.00 138.12 2c9i h PRO 34 Ca -0.17 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.79 2c9i h PRO 34 Cb 1.06 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2c9i h PRO 34 CO 0.68 0.67 -0.44 1.88 -0.21 0.00 0.00 178.00 180.58 2c9i h TYR 35 N 1.04 0.00 0.00 0.65 -1.99 -1.84 -2.88 116.97 111.96 2c9i h TYR 35 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2c9i h TYR 35 Cb -0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.70 2c9i h TYR 35 CO -0.02 0.44 -0.56 0.93 -0.00 0.00 0.00 178.16 178.95 2c9i h GLU 36 N 0.00 0.00 -0.33 4.88 5.08 -1.80 -3.40 114.58 119.01 2c9i h GLU 36 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2c9i h GLU 36 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2c9i h GLU 36 CO 0.06 0.00 -0.02 0.41 -1.00 0.00 0.00 179.01 178.45 2c9i n GLY 37 N 1.22 0.44 3.24 -3.84 0.00 0.06 -4.44 105.19 101.86 2c9i n GLY 37 Ca 0.02 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2c9i n GLY 37 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c9i s THR 38 N -2.23 1.51 -0.01 2.61 -1.32 -0.92 -0.48 115.64 114.80 2c9i s THR 38 Ca 0.00 -1.35 -0.27 0.00 -1.21 0.00 0.00 61.69 58.87 2c9i s THR 38 Cb -0.00 -1.37 0.06 0.00 -1.51 0.00 0.00 72.50 69.68 2c9i s THR 38 CO 0.01 -0.02 0.60 0.00 -2.21 0.00 0.00 174.62 172.99 2c9i s GLN 39 N -1.61 1.02 0.03 7.08 -2.07 -0.74 -0.37 119.66 123.00 2c9i s GLN 39 Ca 0.04 0.06 0.04 0.00 -1.82 0.00 0.00 55.36 53.69 2c9i s GLN 39 Cb -0.09 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 2c9i s GLN 39 CO 0.03 -0.34 -0.12 0.45 -1.32 0.00 0.00 175.29 173.99 2c9i s SER 40 N -1.46 1.43 -0.05 12.60 0.15 0.40 -1.58 113.70 125.19 2c9i s SER 40 Ca -0.09 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.12 2c9i s SER 40 Cb -0.01 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 2c9i s SER 40 CO 0.06 0.00 0.01 -0.22 1.20 0.00 0.00 173.24 174.29 2c9i s LEU 41 N -1.08 0.75 -0.42 3.45 2.96 0.10 -1.70 118.68 122.75 2c9i s LEU 41 Ca -0.00 -0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.66 2c9i s LEU 41 Cb -0.07 -0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.31 2c9i s LEU 41 CO 0.01 -0.16 0.63 0.20 -1.32 0.00 0.00 176.35 175.71 2c9i s ASN 42 N 1.62 6.34 -0.18 3.68 0.01 0.77 -1.43 114.94 125.74 2c9i s ASN 42 Ca -0.01 -0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 51.83 2c9i s ASN 42 Cb -0.13 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 2c9i s ASN 42 CO -0.03 -0.74 0.02 -0.63 -1.51 0.00 0.00 177.10 174.21 2c9i s ILE 43 N 2.78 4.35 -0.11 0.60 1.01 0.51 -1.72 121.20 128.63 2c9i s ILE 43 Ca 0.23 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2c9i s ILE 43 Cb -0.14 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2c9i s ILE 43 CO 0.18 0.46 -0.20 0.28 0.00 0.00 0.00 174.94 175.66 2c9i s THR 44 N 0.53 1.82 -0.74 2.92 -1.32 -0.55 -0.52 115.64 117.79 2c9i s THR 44 Ca 0.00 -0.86 -0.25 0.00 -1.21 0.00 0.00 61.69 59.37 2c9i s THR 44 Cb -0.13 -1.61 0.04 0.00 -1.51 0.00 0.00 72.50 69.29 2c9i s THR 44 CO 0.02 0.51 1.21 -0.63 -2.21 0.00 0.00 174.62 173.51 2c9i s ILE 45 N 0.64 3.90 0.16 5.08 1.01 0.17 -1.60 121.20 130.57 2c9i s ILE 45 Ca -0.13 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2c9i s ILE 45 Cb -0.16 -4.87 -0.16 0.00 0.01 0.00 0.00 42.46 37.28 2c9i s ILE 45 CO 0.03 -1.76 1.38 0.71 0.00 0.00 0.00 174.94 175.30 2c9i h THR 46 N 6.06 1.60 -3.94 2.92 1.35 -1.57 -3.44 112.91 115.88 2c9i h THR 46 Ca -0.24 -2.93 -0.31 0.00 -0.55 0.00 0.00 66.41 62.38 2c9i h THR 46 Cb 1.05 2.60 -0.25 0.00 -1.73 0.00 0.00 68.15 69.83 2c9i h THR 46 CO 1.26 0.84 -0.75 -1.61 -0.25 0.00 0.00 175.52 175.02 2c9i s GLU 47 N -3.03 0.50 0.00 4.72 2.02 -0.97 -4.86 118.70 117.08 2c9i s GLU 47 Ca -0.01 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2c9i s GLU 47 Cb 0.11 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.95 2c9i s GLU 47 CO 0.81 0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.59 2c9i n GLY 48 N 2.23 1.01 7.00 -1.39 0.00 -1.26 -1.20 105.19 111.58 2c9i n GLY 48 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2c9i n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 49 N -1.98 1.90 3.69 -0.02 0.00 -1.26 -4.08 105.19 103.44 2c9i n GLY 49 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2c9i n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c9i s PRO 50 N 0.00 4.44 0.24 1.61 0.04 -1.26 -4.87 135.00 135.19 2c9i s PRO 50 Ca 0.00 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.11 2c9i s PRO 50 Cb 0.00 -3.53 -0.11 0.00 0.04 0.00 0.00 34.50 30.89 2c9i s PRO 50 CO 0.00 -0.28 1.63 -0.51 0.04 0.00 0.00 177.00 177.88 2c9i s LEU 51 N 1.88 4.36 0.00 -3.56 1.02 -1.26 -4.89 118.68 116.23 2c9i s LEU 51 Ca 0.48 2.86 0.28 0.00 0.02 0.00 0.00 54.13 57.77 2c9i s LEU 51 Cb -0.19 -3.62 1.58 0.00 0.02 0.00 0.00 46.19 43.99 2c9i s LEU 51 CO 0.19 -0.91 1.98 -0.81 0.02 0.00 0.00 176.35 176.82 2c9i n PRO 52 N 3.04 0.75 -4.48 1.29 -0.04 -1.26 -4.78 135.00 129.52 2c9i n PRO 52 Ca 0.11 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 2c9i n PRO 52 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 2c9i n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2c9i s PHE 53 N -2.15 2.21 0.16 0.54 -0.12 -1.26 -4.60 117.98 112.76 2c9i s PHE 53 Ca 0.38 -0.49 -0.32 0.00 -0.05 0.00 0.00 56.93 56.45 2c9i s PHE 53 Cb 0.19 -1.14 -0.12 0.00 -0.63 0.00 0.00 43.02 41.32 2c9i s PHE 53 CO 0.34 0.55 1.75 0.00 -0.05 0.00 0.00 175.22 177.82 2c9i n ALA 54 N -0.65 2.34 0.26 1.99 0.00 0.22 -4.88 120.51 119.80 2c9i n ALA 54 Ca -0.05 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.85 2c9i n ALA 54 Cb 0.62 -2.53 0.70 0.00 0.00 0.00 0.00 19.45 18.24 2c9i n ALA 54 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2c9i h PHE 55 N 7.39 0.00 -0.81 0.00 3.04 -1.92 -3.07 116.94 121.57 2c9i h PHE 55 Ca -0.45 0.00 0.21 0.00 3.98 0.00 0.00 57.97 61.71 2c9i h PHE 55 Cb 1.22 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.68 2c9i h PHE 55 CO 0.70 0.04 0.56 -0.44 -2.02 0.00 0.00 178.31 177.15 2c9i h ASP 56 N 0.00 0.20 0.26 0.41 3.32 -1.96 -1.10 116.42 117.55 2c9i h ASP 56 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2c9i h ASP 56 Cb 0.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2c9i h ASP 56 CO 0.01 0.08 0.00 2.30 -1.72 0.00 0.00 179.24 179.91 2c9i n ILE 57 N -4.40 0.21 0.38 0.35 -5.35 -1.16 -2.41 119.36 106.97 2c9i n ILE 57 Ca 0.17 0.05 0.07 0.00 -0.27 0.00 0.00 62.75 62.77 2c9i n ILE 57 Cb 0.75 -0.70 -0.09 0.00 -1.74 0.00 0.00 39.64 37.86 2c9i n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2c9i n LEU 58 N -1.18 0.38 -0.37 7.28 4.77 -0.42 -4.70 117.00 122.76 2c9i n LEU 58 Ca 0.13 -0.29 0.02 0.00 -0.03 0.00 0.00 56.01 55.84 2c9i n LEU 58 Cb 0.14 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 2c9i n LEU 58 CO 0.15 0.09 1.27 0.28 -1.33 0.00 0.00 177.39 177.86 2c9i h SER 59 N 0.00 1.07 0.03 -1.43 0.02 -1.49 -1.44 113.55 110.31 2c9i h SER 59 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2c9i h SER 59 Cb 0.47 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2c9i h SER 59 CO 0.00 0.71 -0.15 0.45 -1.14 0.00 0.00 176.83 176.70 2c9i h HIS 60 N 1.23 0.26 0.00 3.45 3.86 -1.84 -2.85 115.15 119.26 2c9i h HIS 60 Ca 0.42 -0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.45 2c9i h HIS 60 Cb 0.09 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2c9i h HIS 60 CO -0.00 0.39 -0.72 0.00 0.86 0.00 0.00 177.93 178.47 2c9i h ALA 61 N 1.62 0.61 0.00 2.45 0.00 -1.59 -3.45 119.26 118.89 2c9i h ALA 61 Ca 0.05 -0.65 -0.39 0.00 0.00 0.00 0.00 54.91 53.92 2c9i h ALA 61 Cb 0.41 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2c9i h ALA 61 CO 0.02 0.90 2.44 1.19 0.00 0.00 0.00 179.25 183.80 2c9i n PHE 62 N -3.38 1.33 0.00 0.00 3.72 -0.94 -5.01 117.46 113.19 2c9i n PHE 62 Ca 0.00 -1.99 0.00 0.00 -0.05 0.00 0.00 57.45 55.41 2c9i n PHE 62 Cb 0.78 -1.72 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 2c9i n PHE 62 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2c9i n ILE 66 N 3.91 0.00 1.78 4.37 5.41 -1.26 -5.13 119.36 128.45 2c9i n ILE 66 Ca 0.47 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.30 2c9i n ILE 66 Cb 0.20 0.00 0.46 0.00 -0.71 0.00 0.00 39.64 39.60 2c9i n ILE 66 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2c9i n LYS 67 N 0.00 0.89 0.01 0.38 4.76 -1.26 -2.77 118.16 120.17 2c9i n LYS 67 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2c9i n LYS 67 Cb 0.00 -1.27 0.32 0.00 -1.84 0.00 0.00 35.03 32.24 2c9i n LYS 67 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2c9i h VAL 68 N 0.00 1.18 -1.56 -0.18 2.07 -1.95 -3.32 116.25 112.49 2c9i h VAL 68 Ca 0.00 -0.68 -0.72 0.00 0.82 0.00 0.00 66.70 66.13 2c9i h VAL 68 Cb 0.00 0.88 -0.13 0.00 -1.52 0.00 0.00 31.29 30.51 2c9i h VAL 68 CO 0.00 0.24 1.78 0.49 0.02 0.00 0.00 177.57 180.09 2c9i n PHE 69 N -4.31 4.72 -3.73 1.57 3.01 -1.11 -4.71 117.46 112.89 2c9i n PHE 69 Ca 0.02 -3.12 -0.13 0.00 1.01 0.00 0.00 57.45 55.23 2c9i n PHE 69 Cb 0.21 -2.36 -0.13 0.00 -0.01 0.00 0.00 39.48 37.18 2c9i n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c9i s ALA 70 N 2.59 -0.50 -0.54 4.37 0.00 -1.10 -4.40 121.76 122.19 2c9i s ALA 70 Ca 0.47 0.93 -0.28 0.00 0.00 0.00 0.00 51.96 53.08 2c9i s ALA 70 Cb 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2c9i s ALA 70 CO 0.03 -0.22 1.28 0.21 0.00 0.00 0.00 175.76 177.07 2c9i s LYS 71 N 1.32 3.48 -0.11 0.00 2.20 -0.35 -4.49 119.74 121.80 2c9i s LYS 71 Ca -0.09 0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 2c9i s LYS 71 Cb -0.11 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 2c9i s LYS 71 CO -0.08 -1.71 0.01 0.71 -0.36 0.00 0.00 175.35 173.92 2c9i s TYR 72 N 5.30 3.19 0.70 4.03 1.51 -1.26 -0.88 117.35 129.93 2c9i s TYR 72 Ca 0.49 0.15 -0.11 0.00 -1.01 0.00 0.00 57.07 56.59 2c9i s TYR 72 Cb -0.09 -1.85 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2c9i s TYR 72 CO 0.27 0.40 1.06 -1.25 -1.11 0.00 0.00 175.55 174.92 2c9i s PRO 73 N -0.62 2.93 0.27 -1.71 0.04 -1.26 -4.97 135.00 129.68 2c9i s PRO 73 Ca 0.10 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 2c9i s PRO 73 Cb -0.12 -1.99 0.47 0.00 0.04 0.00 0.00 34.50 32.90 2c9i s PRO 73 CO 0.02 -1.09 1.85 -0.22 0.04 0.00 0.00 177.00 177.60 2c9i h LYS 74 N -0.71 1.01 -0.00 4.56 3.11 -1.99 -2.90 116.57 119.65 2c9i h LYS 74 Ca -0.44 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 2c9i h LYS 74 Cb 1.21 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2c9i h LYS 74 CO 0.58 0.67 -0.03 -0.85 -2.81 0.00 0.00 179.45 177.00 2c9i n GLU 75 N -4.59 0.18 -3.82 1.90 0.00 -1.26 -4.68 120.64 108.38 2c9i n GLU 75 Ca 0.17 -0.01 -0.36 0.00 0.00 0.00 0.00 57.16 56.95 2c9i n GLU 75 Cb 0.28 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.09 2c9i n GLU 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2c9i s ILE 76 N -2.83 3.66 0.15 3.84 1.01 -1.10 -5.03 121.20 120.91 2c9i s ILE 76 Ca 0.20 -0.76 -0.34 0.00 0.00 0.00 0.00 60.65 59.74 2c9i s ILE 76 Cb 0.19 -2.87 -0.15 0.00 0.01 0.00 0.00 42.46 39.65 2c9i s ILE 76 CO 0.51 0.13 1.45 -2.65 0.00 0.00 0.00 174.94 174.38 2c9i n PRO 77 N 4.81 1.76 -3.15 2.79 -0.02 -1.26 -4.67 135.00 135.26 2c9i n PRO 77 Ca -0.15 0.63 -0.45 0.00 -2.02 0.00 0.00 63.50 61.51 2c9i n PRO 77 Cb 0.48 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2c9i n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2c9i s ASP 78 N 0.61 6.51 0.23 2.55 3.68 -1.26 -4.50 116.67 124.49 2c9i s ASP 78 Ca 0.78 -2.06 -0.06 0.00 2.13 0.00 0.00 52.55 53.34 2c9i s ASP 78 Cb -0.77 -2.29 0.35 0.00 -1.45 0.00 0.00 42.92 38.77 2c9i s ASP 78 CO 0.43 -0.90 1.77 0.15 0.13 0.00 0.00 175.17 176.76 2c9i h PHE 79 N 8.58 0.63 -0.08 -5.34 3.04 -1.92 -2.09 116.94 119.76 2c9i h PHE 79 Ca -0.03 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.73 2c9i h PHE 79 Cb 1.05 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 39.40 2c9i h PHE 79 CO 0.99 0.21 -0.83 0.74 -2.02 0.00 0.00 178.31 177.40 2c9i h PHE 80 N 0.59 0.83 -0.08 0.41 -1.00 -1.91 -0.68 116.94 115.10 2c9i h PHE 80 Ca 0.36 -0.39 -0.18 0.00 2.81 0.00 0.00 57.97 60.57 2c9i h PHE 80 Cb 0.40 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2c9i h PHE 80 CO -0.11 1.20 -0.72 0.87 -1.61 0.00 0.00 178.31 177.94 2c9i h LYS 81 N 0.39 0.40 -0.39 1.51 1.57 -1.86 -2.43 116.57 115.76 2c9i h LYS 81 Ca -0.06 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 2c9i h LYS 81 Cb 1.45 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2c9i h LYS 81 CO 0.16 0.96 -0.09 1.96 -0.57 0.00 0.00 179.45 181.86 2c9i h GLN 82 N 0.27 0.68 0.00 3.15 4.20 -1.30 -3.27 115.11 118.84 2c9i h GLN 82 Ca -0.03 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2c9i h GLN 82 Cb 1.29 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2c9i h GLN 82 CO 0.12 0.77 -0.53 0.43 -0.67 0.00 0.00 178.83 178.95 2c9i n SER 83 N -4.18 0.54 0.08 1.46 7.64 -0.27 -4.40 113.62 114.49 2c9i n SER 83 Ca 0.01 -0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 2c9i n SER 83 Cb 0.34 0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2c9i n SER 83 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2c9i h LEU 84 N 0.00 -0.14 -0.86 -3.43 6.46 -1.49 0.12 115.31 115.97 2c9i h LEU 84 Ca 0.00 -0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2c9i h LEU 84 Cb 0.60 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 2c9i h LEU 84 CO 0.00 0.03 0.56 -0.65 -0.62 0.00 0.00 178.44 177.76 2c9i h PRO 85 N -0.31 1.05 0.00 5.25 0.11 -1.79 -1.39 132.00 134.92 2c9i h PRO 85 Ca -0.02 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 2c9i h PRO 85 Cb 0.25 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2c9i h PRO 85 CO 0.03 0.70 -0.28 0.78 -0.21 0.00 0.00 178.00 179.01 2c9i h GLY 86 N 1.08 0.00 0.00 -0.55 0.00 -1.82 -3.43 103.07 98.35 2c9i h GLY 86 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2c9i h GLY 86 CO -0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.03 2c9i n GLY 87 N 1.11 1.93 3.24 4.60 0.00 0.43 -4.67 105.19 111.82 2c9i n GLY 87 Ca 0.03 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 2c9i n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2c9i s PHE 88 N -1.86 0.35 0.09 1.61 -0.12 -0.78 -1.45 117.98 115.83 2c9i s PHE 88 Ca 0.00 -0.76 0.06 0.00 -0.05 0.00 0.00 56.93 56.18 2c9i s PHE 88 Cb 0.00 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 2c9i s PHE 88 CO 0.00 -0.60 -0.14 -1.12 -0.05 0.00 0.00 175.22 173.31 2c9i s SER 89 N -2.93 1.85 0.05 1.98 0.01 -0.14 -0.36 113.70 114.16 2c9i s SER 89 Ca 0.12 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2c9i s SER 89 Cb 0.05 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 2c9i s SER 89 CO -0.05 -0.10 -0.06 -1.66 0.41 0.00 0.00 173.24 171.78 2c9i s TRP 90 N -1.64 0.61 0.03 2.43 1.48 -0.90 -1.11 118.94 119.84 2c9i s TRP 90 Ca 0.03 -0.66 0.01 0.00 -1.06 0.00 0.00 56.10 54.42 2c9i s TRP 90 Cb -0.08 -0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 31.83 2c9i s TRP 90 CO 0.03 -0.15 -0.05 -1.21 -4.06 0.00 0.00 176.95 171.50 2c9i s GLU 91 N -2.31 0.40 -0.07 3.25 2.02 -0.68 -0.36 118.70 120.96 2c9i s GLU 91 Ca -0.05 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.26 2c9i s GLU 91 Cb -0.05 -0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.09 2c9i s GLU 91 CO -0.02 0.01 0.18 0.50 0.02 0.00 0.00 175.26 175.94 2c9i s ARG 92 N -1.35 0.20 -0.18 1.61 3.52 0.10 -0.60 118.95 122.24 2c9i s ARG 92 Ca -0.11 0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 2c9i s ARG 92 Cb -0.09 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.37 2c9i s ARG 92 CO -0.00 -0.04 -0.07 0.08 -0.81 0.00 0.00 175.30 174.46 2c9i s VAL 93 N 0.18 3.40 -0.27 7.11 1.01 -0.45 -1.17 120.40 130.21 2c9i s VAL 93 Ca -0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2c9i s VAL 93 Cb -0.02 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.90 2c9i s VAL 93 CO -0.00 0.47 -0.06 -0.44 0.00 0.00 0.00 175.10 175.07 2c9i s SER 94 N 0.87 4.52 -0.33 3.32 0.01 -0.02 -1.62 113.70 120.45 2c9i s SER 94 Ca -0.02 -1.16 -0.09 0.00 1.31 0.00 0.00 55.95 56.00 2c9i s SER 94 Cb -0.15 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.45 2c9i s SER 94 CO 0.01 -0.19 0.14 -0.89 0.41 0.00 0.00 173.24 172.71 2c9i s THR 95 N 1.24 4.29 0.31 1.44 2.01 -0.48 -0.49 115.64 123.95 2c9i s THR 95 Ca -0.04 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 2c9i s THR 95 Cb -0.19 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 2c9i s THR 95 CO -0.04 -0.04 0.81 -0.31 -0.69 0.00 0.00 174.62 174.36 2c9i s TYR 96 N 1.53 3.51 0.34 4.92 2.02 0.64 -0.93 117.35 129.38 2c9i s TYR 96 Ca 0.02 1.45 0.38 0.00 -0.37 0.00 0.00 57.07 58.55 2c9i s TYR 96 Cb -0.18 -2.69 1.92 0.00 -0.40 0.00 0.00 41.96 40.61 2c9i s TYR 96 CO 0.05 0.16 2.14 1.05 -1.57 0.00 0.00 175.55 177.38 2c9i h GLU 97 N 2.75 0.00 -0.61 -0.62 4.11 -1.65 -2.48 114.58 116.08 2c9i h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2c9i h GLU 97 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2c9i h GLU 97 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2c9i n ASP 98 N -2.92 3.76 0.00 3.06 3.85 -1.26 -4.97 116.55 118.07 2c9i n ASP 98 Ca -0.02 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.00 2c9i n ASP 98 Cb 0.13 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 2c9i n ASP 98 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c9i n GLY 99 N 1.25 1.78 3.77 6.12 0.00 -0.93 -4.53 105.19 112.64 2c9i n GLY 99 Ca 0.21 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2c9i n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c9i s GLY 100 N -0.47 2.92 -0.08 -0.02 0.00 -1.15 -4.64 107.32 103.88 2c9i s GLY 100 Ca 0.00 1.30 -0.00 0.00 0.00 0.00 0.00 44.72 46.02 2c9i s GLY 100 CO 0.00 1.88 -0.05 0.14 0.00 0.00 0.00 173.10 175.07 2c9i s VAL 101 N -1.25 0.74 -0.30 1.40 1.01 -0.73 -0.26 120.40 121.00 2c9i s VAL 101 Ca 0.59 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 2c9i s VAL 101 Cb -0.40 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.22 2c9i s VAL 101 CO 0.51 0.31 0.05 -0.22 0.00 0.00 0.00 175.10 175.74 2c9i s LEU 102 N 1.54 3.88 -0.09 3.92 1.98 0.35 -1.66 118.68 128.60 2c9i s LEU 102 Ca 0.00 -0.98 -0.08 0.00 -2.89 0.00 0.00 54.13 50.18 2c9i s LEU 102 Cb -0.13 -1.81 -0.04 0.00 0.66 0.00 0.00 46.19 44.87 2c9i s LEU 102 CO -0.05 -0.24 0.18 -0.44 -1.89 0.00 0.00 176.35 173.92 2c9i s SER 103 N 1.39 6.45 -0.04 3.68 0.01 -0.16 -0.84 113.70 124.19 2c9i s SER 103 Ca -0.01 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.71 2c9i s SER 103 Cb -0.18 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 63.97 2c9i s SER 103 CO 0.01 0.38 0.19 0.00 0.41 0.00 0.00 173.24 174.23 2c9i s ALA 104 N -1.07 -0.48 0.04 1.44 0.00 -0.32 -0.15 121.76 121.22 2c9i s ALA 104 Ca 0.17 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.47 2c9i s ALA 104 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2c9i s ALA 104 CO 0.07 -0.16 -0.12 -0.08 0.00 0.00 0.00 175.76 175.46 2c9i s THR 105 N -0.62 0.97 -0.01 0.00 -1.32 -0.18 -0.72 115.64 113.76 2c9i s THR 105 Ca -0.07 -1.01 -0.08 0.00 -1.21 0.00 0.00 61.69 59.31 2c9i s THR 105 Cb -0.04 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 2c9i s THR 105 CO 0.01 -0.09 0.17 -1.58 -2.21 0.00 0.00 174.62 170.93 2c9i s GLN 106 N -1.25 0.48 -0.10 7.08 -0.44 0.51 -0.83 119.66 125.12 2c9i s GLN 106 Ca -0.01 -0.26 0.01 0.00 -2.50 0.00 0.00 55.36 52.59 2c9i s GLN 106 Cb -0.08 0.20 0.02 0.00 -1.64 0.00 0.00 33.01 31.51 2c9i s GLN 106 CO 0.01 -0.11 -0.10 -2.00 0.50 0.00 0.00 175.29 173.59 2c9i s GLU 107 N -1.15 1.67 -0.11 1.67 2.12 -0.42 -2.12 118.70 120.37 2c9i s GLU 107 Ca -0.12 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2c9i s GLU 107 Cb -0.06 -1.57 -0.02 0.00 0.26 0.00 0.00 34.13 32.74 2c9i s GLU 107 CO 0.02 -0.15 -0.12 0.99 -0.54 0.00 0.00 175.26 175.46 2c9i s THR 108 N 1.28 3.17 0.20 -1.70 2.01 0.51 -1.39 115.64 119.71 2c9i s THR 108 Ca -0.03 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2c9i s THR 108 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2c9i s THR 108 CO -0.04 0.54 0.22 -0.94 -0.69 0.00 0.00 174.62 173.72 2c9i s SER 109 N -0.02 0.10 -0.07 3.53 1.04 -0.67 -1.86 113.70 115.74 2c9i s SER 109 Ca -0.03 -1.23 0.03 0.00 0.48 0.00 0.00 55.95 55.21 2c9i s SER 109 Cb -0.14 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2c9i s SER 109 CO 0.04 -0.91 -0.17 -0.22 0.98 0.00 0.00 173.24 172.96 2c9i s LEU 110 N -3.10 1.83 -0.27 2.42 2.96 -1.26 -0.95 118.68 120.32 2c9i s LEU 110 Ca 0.32 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2c9i s LEU 110 Cb 0.05 -1.05 0.09 0.00 0.50 0.00 0.00 46.19 45.78 2c9i s LEU 110 CO 0.10 0.09 0.07 -1.10 -1.32 0.00 0.00 176.35 174.19 2c9i s GLN 111 N 0.47 0.67 7.49 1.98 -0.21 -0.68 -5.01 119.66 124.38 2c9i s GLN 111 Ca -0.15 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.44 2c9i s GLN 111 Cb -0.16 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 31.89 2c9i s GLN 111 CO 0.05 -0.86 0.00 0.41 -2.12 0.00 0.00 175.29 172.77 2c9i n GLY 112 N 4.95 2.86 1.03 3.09 0.00 -1.26 -1.77 105.19 114.10 2c9i n GLY 112 Ca -0.05 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2c9i n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c9i n ASP 113 N 9.51 3.60 -4.51 1.61 5.75 -1.26 -4.95 116.55 126.30 2c9i n ASP 113 Ca 0.00 -2.14 -0.40 0.00 -0.01 0.00 0.00 54.79 52.24 2c9i n ASP 113 Cb 0.00 -0.39 -0.11 0.00 -1.03 0.00 0.00 41.12 39.59 2c9i n ASP 113 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c9i s ILE 115 N 1.70 4.50 -0.17 0.00 1.01 0.11 -1.68 121.20 126.66 2c9i s ILE 115 Ca 0.06 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.22 2c9i s ILE 115 Cb -0.17 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.83 2c9i s ILE 115 CO 0.10 -0.85 0.13 0.27 0.00 0.00 0.00 174.94 174.58 2c9i s ILE 116 N 3.68 5.42 -0.10 2.92 -5.25 -0.13 -1.59 121.20 126.15 2c9i s ILE 116 Ca 0.34 0.19 0.02 0.00 -0.99 0.00 0.00 60.65 60.21 2c9i s ILE 116 Cb -0.11 -3.43 0.01 0.00 2.95 0.00 0.00 42.46 41.88 2c9i s ILE 116 CO 0.24 0.51 -0.14 0.00 -1.79 0.00 0.00 174.94 173.76 2c9i s LYS 118 N 0.97 2.91 -0.03 0.00 1.02 -0.49 -0.88 119.74 123.24 2c9i s LYS 118 Ca -0.07 -0.94 0.04 0.00 0.02 0.00 0.00 55.97 55.02 2c9i s LYS 118 Cb -0.15 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 2c9i s LYS 118 CO -0.01 -0.42 -0.15 0.08 -0.92 0.00 0.00 175.35 173.93 2c9i s VAL 119 N 1.38 2.99 -0.05 3.17 1.01 0.72 -1.30 120.40 128.31 2c9i s VAL 119 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2c9i s VAL 119 Cb -0.17 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.05 2c9i s VAL 119 CO -0.02 0.54 -0.07 -0.75 0.00 0.00 0.00 175.10 174.80 2c9i s LYS 120 N -0.87 1.11 0.04 2.72 2.20 -0.01 -2.17 119.74 122.75 2c9i s LYS 120 Ca 0.12 -0.19 0.08 0.00 -0.36 0.00 0.00 55.97 55.62 2c9i s LYS 120 Cb -0.11 -1.04 -0.02 0.00 -1.51 0.00 0.00 37.83 35.15 2c9i s LYS 120 CO 0.02 -0.07 -0.22 0.08 -0.36 0.00 0.00 175.35 174.80 2c9i s VAL 121 N 0.93 1.75 -0.25 4.02 1.01 -0.83 -1.01 120.40 126.02 2c9i s VAL 121 Ca -0.11 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 2c9i s VAL 121 Cb -0.15 -1.51 0.11 0.00 0.00 0.00 0.00 36.38 34.84 2c9i s VAL 121 CO 0.00 0.27 0.25 -0.22 0.00 0.00 0.00 175.10 175.40 2c9i s LEU 122 N -1.09 -0.11 -0.12 3.92 1.98 0.78 -2.48 118.68 121.56 2c9i s LEU 122 Ca 0.08 -0.57 -0.01 0.00 -2.89 0.00 0.00 54.13 50.75 2c9i s LEU 122 Cb -0.09 0.37 -0.02 0.00 0.66 0.00 0.00 46.19 47.11 2c9i s LEU 122 CO 0.01 -0.37 -0.09 -0.83 -1.89 0.00 0.00 176.35 173.18 2c9i s GLY 123 N 2.32 1.61 0.23 7.98 0.00 0.63 -0.99 107.32 119.10 2c9i s GLY 123 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2c9i s GLY 123 CO -0.24 -0.26 0.13 -0.51 0.00 0.00 0.00 173.10 172.22 2c9i s THR 124 N 0.12 0.15 -1.91 0.90 -4.23 -0.67 -1.36 115.64 108.65 2c9i s THR 124 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2c9i s THR 124 Cb -0.14 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2c9i s THR 124 CO 0.04 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.71 2c9i n ASN 125 N -0.44 -5.30 -4.74 3.99 4.13 -1.26 -1.77 115.26 109.88 2c9i n ASN 125 Ca 0.02 0.45 -0.41 0.00 1.68 0.00 0.00 54.58 56.31 2c9i n ASN 125 Cb 0.66 -4.53 -0.03 0.00 -1.54 0.00 0.00 39.78 34.33 2c9i n ASN 125 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2c9i s PHE 126 N -2.52 3.27 0.04 3.10 0.40 -1.26 -2.91 117.98 118.10 2c9i s PHE 126 Ca 0.00 1.27 -0.32 0.00 -0.60 0.00 0.00 56.93 57.28 2c9i s PHE 126 Cb 0.00 -3.58 -0.11 0.00 0.51 0.00 0.00 43.02 39.84 2c9i s PHE 126 CO 0.00 -1.78 1.88 -0.35 0.70 0.00 0.00 175.22 175.67 2c9i n PRO 127 N 2.47 2.62 0.05 0.24 -0.04 -1.26 -4.85 135.00 134.22 2c9i n PRO 127 Ca 0.05 0.96 0.20 0.00 -0.04 0.00 0.00 63.50 64.67 2c9i n PRO 127 Cb 0.43 -2.85 0.72 0.00 -0.04 0.00 0.00 33.50 31.75 2c9i n PRO 127 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c9i h ALA 128 N 9.22 2.34 -0.27 0.55 0.00 -1.98 -0.76 119.26 128.35 2c9i h ALA 128 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2c9i h ALA 128 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2c9i h ALA 128 CO 0.94 -0.60 0.00 0.09 0.00 0.00 0.00 179.25 179.68 2c9i n ASN 129 N -4.19 2.70 -4.82 0.00 5.03 -1.26 -4.58 115.26 108.14 2c9i n ASN 129 Ca 0.08 -1.93 -0.29 0.00 0.87 0.00 0.00 54.58 53.31 2c9i n ASN 129 Cb 0.56 -0.18 0.11 0.00 -1.02 0.00 0.00 39.78 39.26 2c9i n ASN 129 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2c9i s GLY 130 N -0.98 1.59 0.50 7.41 0.00 -0.29 -4.81 107.32 110.73 2c9i s GLY 130 Ca 0.19 -0.51 0.16 0.00 0.00 0.00 0.00 44.72 44.56 2c9i s GLY 130 CO 0.14 0.00 2.11 -0.56 0.00 0.00 0.00 173.10 174.79 2c9i h PRO 131 N -1.29 0.00 0.01 2.90 0.13 -1.93 -1.19 132.00 130.63 2c9i h PRO 131 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2c9i h PRO 131 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2c9i h PRO 131 CO 0.63 0.05 -0.00 0.28 -0.23 0.00 0.00 178.00 178.72 2c9i h VAL 132 N 0.00 1.30 0.00 1.56 2.07 -1.92 0.13 116.25 119.39 2c9i h VAL 132 Ca -0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2c9i h VAL 132 Cb 0.09 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2c9i h VAL 132 CO 0.01 0.24 0.00 0.24 0.02 0.00 0.00 177.57 178.08 2c9i h MET 133 N -0.41 0.00 -0.35 1.57 2.86 -1.70 0.69 114.93 117.59 2c9i h MET 133 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2c9i h MET 133 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2c9i h MET 133 CO 0.00 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.01 2c9i n GLN 134 N -2.74 2.41 -3.59 1.72 1.13 -0.47 -4.62 117.38 111.21 2c9i n GLN 134 Ca 0.04 -2.20 -0.21 0.00 -1.94 0.00 0.00 57.00 52.69 2c9i n GLN 134 Cb 0.43 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.35 2c9i n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2c9i n LYS 135 N 1.38 -4.34 -2.05 -1.09 5.02 -0.67 -4.94 118.16 111.47 2c9i n LYS 135 Ca 0.18 0.67 -0.25 0.00 -2.02 0.00 0.00 58.31 56.89 2c9i n LYS 135 Cb 0.58 -5.25 0.02 0.00 -0.02 0.00 0.00 35.03 30.36 2c9i n LYS 135 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2c9i n LYS 136 N -4.09 3.52 -4.21 1.97 5.02 0.36 -4.98 118.16 115.75 2c9i n LYS 136 Ca -0.24 -4.16 -0.29 0.00 -2.02 0.00 0.00 58.31 51.60 2c9i n LYS 136 Cb 0.66 -2.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.30 2c9i n LYS 136 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2c9i s THR 137 N -4.77 3.57 -0.26 -0.18 -4.23 -1.26 -0.81 115.64 107.70 2c9i s THR 137 Ca 0.51 -1.30 0.13 0.00 -1.18 0.00 0.00 61.69 59.86 2c9i s THR 137 Cb 0.42 -2.72 0.47 0.00 1.34 0.00 0.00 72.50 72.01 2c9i s THR 137 CO -0.01 0.03 1.17 0.00 -0.54 0.00 0.00 174.62 175.27 2c9i n GLY 139 N -0.66 -1.12 3.86 0.00 0.00 -1.26 -4.75 105.19 101.26 2c9i n GLY 139 Ca 0.29 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2c9i n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c9i s TRP 140 N -2.55 3.42 0.79 1.61 0.52 -1.26 -1.53 118.94 119.94 2c9i s TRP 140 Ca 0.00 1.05 -0.11 0.00 0.02 0.00 0.00 56.10 57.06 2c9i s TRP 140 Cb 0.00 -2.40 0.07 0.00 -1.15 0.00 0.00 33.47 29.99 2c9i s TRP 140 CO 0.00 0.20 1.09 -1.21 0.02 0.00 0.00 176.95 177.05 2c9i s GLU 141 N -2.82 2.11 0.84 4.98 0.41 -0.35 -4.82 118.70 119.05 2c9i s GLU 141 Ca 0.50 0.87 -0.11 0.00 -0.41 0.00 0.00 54.97 55.82 2c9i s GLU 141 Cb -0.11 -1.90 0.10 0.00 -1.78 0.00 0.00 34.13 30.44 2c9i s GLU 141 CO 0.19 -1.66 1.13 -1.25 -0.49 0.00 0.00 175.26 173.19 2c9i s PRO 142 N -5.02 1.57 0.26 0.39 0.04 -1.26 -4.74 135.00 126.23 2c9i s PRO 142 Ca 0.61 1.44 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2c9i s PRO 142 Cb -0.16 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2c9i s PRO 142 CO 0.55 -2.20 0.40 -1.54 0.04 0.00 0.00 177.00 174.25 2c9i s SER 143 N -2.85 0.16 -0.10 6.66 1.04 -0.81 -4.80 113.70 113.00 2c9i s SER 143 Ca 0.66 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2c9i s SER 143 Cb -0.21 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2c9i s SER 143 CO 0.56 -1.11 -0.14 -0.89 0.98 0.00 0.00 173.24 172.64 2c9i s THR 144 N -3.85 1.42 -0.05 2.02 2.01 -1.26 -1.04 115.64 114.89 2c9i s THR 144 Ca 0.28 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 2c9i s THR 144 Cb 0.01 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2c9i s THR 144 CO 0.12 0.43 0.12 -0.70 -0.69 0.00 0.00 174.62 173.89 2c9i s GLU 145 N 1.02 3.27 -0.30 4.92 2.12 0.96 -4.62 118.70 126.07 2c9i s GLU 145 Ca -0.06 -0.33 -0.13 0.00 0.36 0.00 0.00 54.97 54.81 2c9i s GLU 145 Cb -0.15 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 2c9i s GLU 145 CO -0.02 0.70 0.26 0.99 -0.54 0.00 0.00 175.26 176.65 2c9i s THR 146 N -1.16 5.26 -0.34 -1.70 2.01 0.05 -0.50 115.64 119.27 2c9i s THR 146 Ca 0.21 0.16 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 2c9i s THR 146 Cb -0.12 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 2c9i s THR 146 CO 0.11 0.13 0.59 -0.69 -0.69 0.00 0.00 174.62 174.07 2c9i s VAL 147 N 1.85 4.95 -0.17 3.82 1.01 0.76 -1.82 120.40 130.80 2c9i s VAL 147 Ca 0.09 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2c9i s VAL 147 Cb -0.16 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2c9i s VAL 147 CO 0.11 -0.23 -0.18 -0.63 0.00 0.00 0.00 175.10 174.17 2c9i s ILE 148 N 2.57 2.34 0.12 2.22 1.01 0.10 -2.26 121.20 127.29 2c9i s ILE 148 Ca 0.22 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 2c9i s ILE 148 Cb -0.15 -1.98 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 2c9i s ILE 148 CO 0.14 0.52 1.40 -2.16 0.00 0.00 0.00 174.94 174.84 2c9i s PRO 149 N 1.07 4.31 -0.19 2.79 0.04 -1.26 0.28 135.00 142.04 2c9i s PRO 149 Ca -0.01 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 2c9i s PRO 149 Cb -0.14 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.25 2c9i s PRO 149 CO -0.06 -0.45 0.37 0.50 0.04 0.00 0.00 177.00 177.41 2c9i s ARG 150 N 1.11 0.29 -0.41 4.56 3.52 -0.48 -4.86 118.95 122.67 2c9i s ARG 150 Ca 0.65 0.85 -0.11 0.00 -0.13 0.00 0.00 55.73 56.99 2c9i s ARG 150 Cb -0.37 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.09 2c9i s ARG 150 CO 0.30 -0.35 0.40 -0.40 -0.81 0.00 0.00 175.30 174.44 2c9i n ASP 151 N 5.38 -3.19 0.00 -2.12 5.68 -1.26 -1.70 116.55 119.34 2c9i n ASP 151 Ca -0.07 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 2c9i n ASP 151 Cb 0.50 -1.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 2c9i n ASP 151 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c9i n GLY 152 N -0.72 1.94 0.00 6.12 0.00 -1.26 -4.89 105.19 106.37 2c9i n GLY 152 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2c9i n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 153 N -2.00 5.45 3.17 -0.02 0.00 -0.69 -4.71 105.19 106.38 2c9i n GLY 153 Ca 0.00 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 2c9i n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9i s LEU 154 N 0.00 2.21 -0.19 0.99 1.02 -0.96 -1.38 118.68 120.38 2c9i s LEU 154 Ca 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 53.63 2c9i s LEU 154 Cb 0.00 -0.62 0.04 0.00 0.02 0.00 0.00 46.19 45.62 2c9i s LEU 154 CO 0.00 0.01 -0.13 -0.22 0.02 0.00 0.00 176.35 176.04 2c9i s LEU 155 N -1.38 2.15 -0.17 1.79 0.20 0.14 -1.28 118.68 120.15 2c9i s LEU 155 Ca 0.01 -0.77 -0.05 0.00 0.69 0.00 0.00 54.13 54.01 2c9i s LEU 155 Cb -0.09 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 2c9i s LEU 155 CO 0.02 -0.11 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.20 2c9i s LEU 156 N 1.40 3.36 -0.03 -0.68 1.02 0.30 -0.72 118.68 123.32 2c9i s LEU 156 Ca 0.01 -0.10 0.06 0.00 0.02 0.00 0.00 54.13 54.13 2c9i s LEU 156 Cb -0.15 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 2c9i s LEU 156 CO -0.09 0.16 -0.23 -0.13 0.02 0.00 0.00 176.35 176.07 2c9i s ARG 157 N 0.44 2.08 0.06 1.70 0.52 -0.76 -1.31 118.95 121.68 2c9i s ARG 157 Ca -0.02 -0.82 -0.13 0.00 -0.52 0.00 0.00 55.73 54.24 2c9i s ARG 157 Cb -0.14 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.46 2c9i s ARG 157 CO 0.02 0.43 0.29 0.34 0.02 0.00 0.00 175.30 176.40 2c9i s ASP 158 N -0.34 -0.09 -0.54 0.23 -1.08 -0.69 -0.77 116.67 113.40 2c9i s ASP 158 Ca 0.03 -0.28 0.07 0.00 -0.52 0.00 0.00 52.55 51.85 2c9i s ASP 158 Cb -0.11 0.36 0.24 0.00 -1.46 0.00 0.00 42.92 41.95 2c9i s ASP 158 CO 0.01 -0.65 0.63 1.07 0.52 0.00 0.00 175.17 176.75 2c9i n THR 159 N 0.43 1.02 -2.06 1.71 5.66 -1.26 -0.49 114.28 119.29 2c9i n THR 159 Ca -0.18 -4.67 -0.34 0.00 -3.05 0.00 0.00 64.05 55.80 2c9i n THR 159 Cb 0.60 -2.03 0.02 0.00 -1.55 0.00 0.00 70.33 67.37 2c9i n THR 159 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2c9i s PRO 160 N -1.83 3.11 -0.17 1.09 0.04 -1.15 -4.80 135.00 131.30 2c9i s PRO 160 Ca 0.37 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 2c9i s PRO 160 Cb 0.14 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 2c9i s PRO 160 CO -0.07 -1.03 -0.13 0.00 0.04 0.00 0.00 177.00 175.81 2c9i s ALA 161 N -1.94 2.56 -0.24 8.56 0.00 -1.26 -2.17 121.76 127.27 2c9i s ALA 161 Ca 0.71 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 2c9i s ALA 161 Cb -0.24 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2c9i s ALA 161 CO 0.33 -0.11 0.32 -1.17 0.00 0.00 0.00 175.76 175.13 2c9i s LEU 162 N 0.93 4.10 0.23 0.00 2.96 0.20 -1.21 118.68 125.89 2c9i s LEU 162 Ca -0.03 0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 2c9i s LEU 162 Cb -0.15 -2.36 -0.09 0.00 0.50 0.00 0.00 46.19 44.09 2c9i s LEU 162 CO -0.01 -0.08 1.26 -0.04 -1.32 0.00 0.00 176.35 176.16 2c9i s MET 163 N 1.53 4.43 0.27 1.98 -1.94 -0.58 -0.32 119.30 124.66 2c9i s MET 163 Ca 0.14 2.03 0.08 0.00 -1.71 0.00 0.00 55.69 56.23 2c9i s MET 163 Cb -0.15 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 2c9i s MET 163 CO 0.08 -0.15 0.15 -0.51 -0.01 0.00 0.00 175.02 174.58 2c9i s LEU 164 N -0.63 3.62 0.36 -0.03 1.43 -0.49 0.21 118.68 123.15 2c9i s LEU 164 Ca 0.53 -0.39 0.11 0.00 -1.03 0.00 0.00 54.13 53.35 2c9i s LEU 164 Cb -0.36 -2.15 0.70 0.00 0.03 0.00 0.00 46.19 44.41 2c9i s LEU 164 CO 0.41 -0.06 1.83 0.00 0.23 0.00 0.00 176.35 178.76 2c9i h ALA 165 N 1.57 1.38 0.00 4.21 0.00 -1.28 -2.72 119.26 122.42 2c9i h ALA 165 Ca -0.47 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2c9i h ALA 165 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2c9i h ALA 165 CO 0.61 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.91 2c9i n ASP 166 N -4.13 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 111.96 2c9i n ASP 166 Ca -0.02 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2c9i n ASP 166 Cb 0.38 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2c9i n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c9i n GLY 167 N 0.78 0.61 0.00 6.12 0.00 -1.02 -5.09 105.19 106.59 2c9i n GLY 167 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2c9i n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9i n GLY 168 N -1.82 1.86 3.10 -0.02 0.00 -1.26 -4.88 105.19 102.17 2c9i n GLY 168 Ca 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.82 2c9i n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c9i s HIS 169 N 1.80 0.87 -0.23 1.61 3.76 -1.26 -1.39 115.29 120.45 2c9i s HIS 169 Ca 0.00 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2c9i s HIS 169 Cb 0.00 -0.51 0.05 0.00 1.11 0.00 0.00 32.58 33.23 2c9i s HIS 169 CO 0.00 -0.03 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.56 2c9i s LEU 170 N -1.55 2.90 0.17 0.89 2.96 0.56 -4.93 118.68 119.68 2c9i s LEU 170 Ca -0.06 -1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 52.70 2c9i s LEU 170 Cb -0.10 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 2c9i s LEU 170 CO 0.01 -0.14 0.39 -0.94 -1.32 0.00 0.00 176.35 174.35 2c9i s SER 171 N 1.20 6.45 0.06 3.68 1.04 -1.26 -0.63 113.70 124.24 2c9i s SER 171 Ca -0.04 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2c9i s SER 171 Cb -0.18 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2c9i s SER 171 CO -0.08 0.00 -0.05 0.00 0.98 0.00 0.00 173.24 174.10 2c9i s PHE 173 N -3.39 3.42 -0.16 0.00 2.99 -0.11 -2.96 117.98 117.78 2c9i s PHE 173 Ca 0.05 0.32 -0.01 0.00 0.00 0.00 0.00 56.93 57.30 2c9i s PHE 173 Cb 0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 43.02 41.00 2c9i s PHE 173 CO -0.07 0.41 -0.13 -1.64 -0.00 0.00 0.00 175.22 173.79 2c9i s MET 174 N -0.15 3.28 -0.22 0.44 -1.94 0.36 -1.38 119.30 119.69 2c9i s MET 174 Ca 0.09 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 2c9i s MET 174 Cb -0.12 -2.69 0.05 0.00 2.01 0.00 0.00 34.83 34.09 2c9i s MET 174 CO 0.01 0.03 -0.07 -2.00 -0.01 0.00 0.00 175.02 172.97 2c9i s GLU 175 N 0.81 1.79 -0.05 2.03 2.12 -0.64 -1.70 118.70 123.06 2c9i s GLU 175 Ca -0.05 -0.95 0.04 0.00 0.36 0.00 0.00 54.97 54.38 2c9i s GLU 175 Cb -0.15 -2.53 -0.00 0.00 0.26 0.00 0.00 34.13 31.70 2c9i s GLU 175 CO 0.00 -0.53 -0.18 -0.08 -0.54 0.00 0.00 175.26 173.93 2c9i s THR 176 N 1.38 1.54 0.02 -1.70 -1.32 -0.43 -1.34 115.64 113.80 2c9i s THR 176 Ca -0.04 -0.77 0.02 0.00 -1.21 0.00 0.00 61.69 59.68 2c9i s THR 176 Cb -0.18 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 2c9i s THR 176 CO -0.07 0.44 0.04 0.42 -2.21 0.00 0.00 174.62 173.24 2c9i s THR 177 N 0.10 4.38 -0.08 5.08 -4.23 0.23 -0.54 115.64 120.59 2c9i s THR 177 Ca -0.06 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2c9i s THR 177 Cb -0.13 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.71 2c9i s THR 177 CO 0.03 0.29 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.95 2c9i s TYR 178 N -1.20 1.71 -0.09 3.99 1.51 -0.40 -1.68 117.35 121.18 2c9i s TYR 178 Ca 0.23 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2c9i s TYR 178 Cb -0.12 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 2c9i s TYR 178 CO 0.14 -0.32 -0.11 0.21 -1.11 0.00 0.00 175.55 174.36 2c9i s LYS 179 N 0.63 1.71 0.16 -0.62 2.20 -0.27 -2.27 119.74 121.29 2c9i s LYS 179 Ca -0.15 -0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 54.98 2c9i s LYS 179 Cb -0.16 -1.53 -0.07 0.00 -1.51 0.00 0.00 37.83 34.56 2c9i s LYS 179 CO 0.04 -0.08 0.49 0.45 -0.36 0.00 0.00 175.35 175.90 2c9i s SER 180 N 1.04 6.67 -0.03 1.43 0.15 -1.26 -0.97 113.70 120.73 2c9i s SER 180 Ca -0.07 0.90 -0.24 0.00 0.70 0.00 0.00 55.95 57.24 2c9i s SER 180 Cb -0.15 -2.22 -0.18 0.00 -1.71 0.00 0.00 66.02 61.77 2c9i s SER 180 CO -0.01 0.05 1.08 0.11 1.20 0.00 0.00 173.24 175.67 2c9i h LYS 181 N 3.14 -0.18 -6.86 5.44 1.79 -1.52 -3.45 116.57 114.93 2c9i h LYS 181 Ca -0.48 0.01 -0.49 0.00 -2.18 0.00 0.00 60.65 57.51 2c9i h LYS 181 Cb 1.18 0.04 0.03 0.00 -1.58 0.00 0.00 32.23 31.90 2c9i h LYS 181 CO 0.68 0.26 0.06 0.15 -1.08 0.00 0.00 179.45 179.53 2c9i s LYS 182 N -3.94 3.55 0.11 3.15 -0.14 -1.26 -5.05 119.74 116.16 2c9i s LYS 182 Ca -0.14 0.14 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 2c9i s LYS 182 Cb 0.01 -2.42 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 2c9i s LYS 182 CO 0.56 -0.14 1.16 -1.83 -0.76 0.00 0.00 175.35 174.34 2c9i s GLU 183 N -4.61 4.49 0.05 1.68 -1.05 -1.26 -5.02 118.70 112.97 2c9i s GLU 183 Ca 0.46 1.76 0.05 0.00 -0.15 0.00 0.00 54.97 57.10 2c9i s GLU 183 Cb -0.10 -3.31 -0.02 0.00 -0.44 0.00 0.00 34.13 30.25 2c9i s GLU 183 CO 0.43 -0.13 -0.15 0.08 0.95 0.00 0.00 175.26 176.43 2c9i s VAL 184 N 0.51 1.23 -0.27 1.83 1.01 -1.26 -5.08 120.40 118.36 2c9i s VAL 184 Ca 0.55 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2c9i s VAL 184 Cb -0.30 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2c9i s VAL 184 CO 0.32 -0.01 1.53 -0.75 0.00 0.00 0.00 175.10 176.18 2c9i s LYS 185 N -1.31 3.76 0.29 2.72 2.36 -1.26 -4.99 119.74 121.31 2c9i s LYS 185 Ca 0.02 1.45 -0.28 0.00 -2.55 0.00 0.00 55.97 54.60 2c9i s LYS 185 Cb -0.08 -4.01 -0.09 0.00 -1.05 0.00 0.00 37.83 32.59 2c9i s LYS 185 CO 0.02 -1.33 1.04 -0.51 1.55 0.00 0.00 175.35 176.12 2c9i s LEU 186 N 5.18 4.49 0.64 5.43 1.02 -1.26 -4.71 118.68 129.47 2c9i s LEU 186 Ca 0.67 2.13 -0.09 0.00 0.02 0.00 0.00 54.13 56.86 2c9i s LEU 186 Cb -0.21 -3.74 -0.00 0.00 0.02 0.00 0.00 46.19 42.26 2c9i s LEU 186 CO 0.28 -0.12 1.01 -2.16 0.02 0.00 0.00 176.35 175.38 2c9i s PRO 187 N -1.59 3.08 0.84 1.29 0.04 -1.26 -4.88 135.00 132.51 2c9i s PRO 187 Ca 0.46 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 2c9i s PRO 187 Cb -0.28 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.23 2c9i s PRO 187 CO 0.36 -0.79 1.13 -1.21 0.04 0.00 0.00 177.00 176.52 2c9i s GLU 188 N -5.18 1.76 0.24 4.56 8.01 -1.26 -4.52 118.70 122.30 2c9i s GLU 188 Ca 0.56 0.39 -0.31 0.00 0.01 0.00 0.00 54.97 55.61 2c9i s GLU 188 Cb -0.11 -1.90 -0.13 0.00 -4.31 0.00 0.00 34.13 27.68 2c9i s GLU 188 CO 0.50 -1.79 1.53 -0.11 0.01 0.00 0.00 175.26 175.40 2c9i n LEU 189 N -3.50 3.60 0.00 1.80 0.00 -1.26 -4.84 117.00 112.80 2c9i n LEU 189 Ca 0.07 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.20 2c9i n LEU 189 Cb 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 43.42 42.51 2c9i n LEU 189 CO 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 177.39 177.78 2c9i n HIS 190 N 2.45 -0.57 -4.20 1.96 1.44 -0.96 -4.94 115.22 110.40 2c9i n HIS 190 Ca 0.12 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.63 2c9i n HIS 190 Cb 0.33 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.32 2c9i n HIS 190 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2c9i s PHE 191 N -6.27 1.37 -0.18 -1.40 0.08 -0.38 -0.17 117.98 111.04 2c9i s PHE 191 Ca 0.00 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.57 2c9i s PHE 191 Cb 0.00 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2c9i s PHE 191 CO 0.00 0.10 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.15 2c9i s HIS 192 N -1.31 2.94 -0.35 0.36 3.76 0.35 -1.52 115.29 119.51 2c9i s HIS 192 Ca 0.01 -0.67 -0.10 0.00 -0.15 0.00 0.00 55.06 54.16 2c9i s HIS 192 Cb -0.10 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.63 2c9i s HIS 192 CO 0.03 -0.31 0.17 -1.01 -0.85 0.00 0.00 174.74 172.77 2c9i s HIS 193 N 0.85 3.23 0.14 1.40 3.76 0.49 -0.03 115.29 125.13 2c9i s HIS 193 Ca -0.02 -0.98 0.08 0.00 -0.15 0.00 0.00 55.06 53.99 2c9i s HIS 193 Cb -0.15 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 2c9i s HIS 193 CO 0.01 -0.63 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.63 2c9i s LEU 194 N 1.53 2.89 -0.17 0.89 2.01 -0.21 -1.48 118.68 124.14 2c9i s LEU 194 Ca 0.02 -0.52 -0.04 0.00 0.01 0.00 0.00 54.13 53.59 2c9i s LEU 194 Cb -0.19 -1.66 0.08 0.00 0.01 0.00 0.00 46.19 44.43 2c9i s LEU 194 CO 0.06 0.15 0.23 -0.60 1.01 0.00 0.00 176.35 177.20 2c9i s ARG 195 N -2.42 0.16 -0.18 1.70 3.52 -0.57 -1.91 118.95 119.26 2c9i s ARG 195 Ca 0.21 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 2c9i s ARG 195 Cb -0.10 -0.75 0.02 0.00 -1.56 0.00 0.00 34.95 32.56 2c9i s ARG 195 CO 0.13 -0.51 -0.20 1.41 -0.81 0.00 0.00 175.30 175.32 2c9i s MET 196 N 2.35 2.98 0.02 5.12 -2.45 -1.26 -1.59 119.30 124.47 2c9i s MET 196 Ca 0.05 -0.83 0.03 0.00 -1.25 0.00 0.00 55.69 53.69 2c9i s MET 196 Cb -0.14 -2.55 -0.02 0.00 1.25 0.00 0.00 34.83 33.37 2c9i s MET 196 CO -0.10 -0.20 -0.10 -1.21 1.05 0.00 0.00 175.02 174.46 2c9i s GLU 197 N 1.26 0.68 -0.13 4.11 2.02 0.44 -4.47 118.70 122.59 2c9i s GLU 197 Ca 0.04 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.24 2c9i s GLU 197 Cb -0.13 -0.61 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 2c9i s GLU 197 CO -0.12 0.15 0.73 0.15 0.02 0.00 0.00 175.26 176.19 2c9i s LYS 198 N -0.86 4.33 -0.26 1.61 1.02 -1.26 -0.55 119.74 123.77 2c9i s LYS 198 Ca -0.01 0.86 -0.05 0.00 0.02 0.00 0.00 55.97 56.79 2c9i s LYS 198 Cb -0.06 -3.52 -0.16 0.00 -0.52 0.00 0.00 37.83 33.57 2c9i s LYS 198 CO 0.00 -0.15 -0.24 1.28 -0.92 0.00 0.00 175.35 175.33 2c9i n LEU 199 N 4.61 2.53 -3.79 3.17 4.77 0.26 -4.98 117.00 123.56 2c9i n LEU 199 Ca 0.01 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2c9i n LEU 199 Cb 0.50 -0.89 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 2c9i n LEU 199 CO 0.47 0.78 -0.29 0.20 -1.33 0.00 0.00 177.39 177.21 2c9i s ASN 200 N -6.94 -0.04 -0.04 -1.43 0.01 -1.23 -5.00 114.94 100.27 2c9i s ASN 200 Ca -0.36 0.16 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 2c9i s ASN 200 Cb 0.11 0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.87 2c9i s ASN 200 CO 0.57 -0.09 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.32 2c9i s ILE 201 N 0.70 0.97 0.83 0.60 1.01 -1.26 -0.55 121.20 123.50 2c9i s ILE 201 Ca -0.06 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 2c9i s ILE 201 Cb -0.08 -0.87 0.09 0.00 0.01 0.00 0.00 42.46 41.61 2c9i s ILE 201 CO -0.03 0.30 1.09 -0.94 0.00 0.00 0.00 174.94 175.37 2c9i s SER 202 N 0.35 4.14 0.33 3.58 1.04 -0.70 -4.97 113.70 117.47 2c9i s SER 202 Ca -0.07 1.49 0.10 0.00 0.48 0.00 0.00 55.95 57.95 2c9i s SER 202 Cb -0.12 -2.21 0.59 0.00 0.10 0.00 0.00 66.02 64.39 2c9i s SER 202 CO 0.02 -2.22 1.76 0.44 0.98 0.00 0.00 173.24 174.22 2c9i h ASP 203 N -1.26 0.10 0.12 7.02 3.32 -2.01 -2.89 116.42 120.82 2c9i h ASP 203 Ca -0.47 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2c9i h ASP 203 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2c9i h ASP 203 CO 0.56 0.49 -0.03 -0.90 -1.72 0.00 0.00 179.24 177.64 2c9i n ASP 204 N -4.05 0.54 -2.46 6.45 3.85 -1.26 -4.93 116.55 114.69 2c9i n ASP 204 Ca -0.02 -0.98 -0.20 0.00 -0.71 0.00 0.00 54.79 52.88 2c9i n ASP 204 Cb 0.45 -0.03 0.01 0.00 -1.35 0.00 0.00 41.12 40.19 2c9i n ASP 204 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2c9i n TRP 205 N -0.68 -1.26 -0.10 2.11 8.01 -1.09 -4.52 117.44 119.91 2c9i n TRP 205 Ca 0.20 0.17 -0.16 0.00 -1.31 0.00 0.00 57.50 56.40 2c9i n TRP 205 Cb 0.23 -4.00 -0.13 0.00 -2.01 0.00 0.00 31.31 25.40 2c9i n TRP 205 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2c9i n LYS 206 N -3.23 0.67 -4.23 -0.99 4.01 -1.26 -4.66 118.16 108.47 2c9i n LYS 206 Ca -0.19 0.13 -0.34 0.00 -0.51 0.00 0.00 58.31 57.40 2c9i n LYS 206 Cb 0.66 -1.55 -0.15 0.00 -0.51 0.00 0.00 35.03 33.48 2c9i n LYS 206 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2c9i s THR 207 N -2.52 2.89 -0.06 -0.18 2.01 -1.26 -0.66 115.64 115.86 2c9i s THR 207 Ca -0.26 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2c9i s THR 207 Cb 0.08 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2c9i s THR 207 CO 0.69 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.27 2c9i s VAL 208 N 1.11 1.26 -0.24 3.82 1.01 0.32 -1.72 120.40 125.95 2c9i s VAL 208 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2c9i s VAL 208 Cb -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 2c9i s VAL 208 CO -0.03 0.38 0.18 -0.70 0.00 0.00 0.00 175.10 174.93 2c9i s GLU 209 N 0.52 4.07 -0.05 2.72 2.12 0.29 -0.36 118.70 128.00 2c9i s GLU 209 Ca -0.13 -0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.01 2c9i s GLU 209 Cb -0.15 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2c9i s GLU 209 CO 0.04 0.03 -0.22 -1.14 -0.54 0.00 0.00 175.26 173.44 2c9i s GLN 210 N 1.14 2.25 0.06 4.30 0.74 -0.52 -0.57 119.66 127.06 2c9i s GLN 210 Ca 0.08 -0.78 0.09 0.00 0.05 0.00 0.00 55.36 54.80 2c9i s GLN 210 Cb -0.14 -1.91 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 2c9i s GLN 210 CO 0.05 0.31 -0.23 -1.58 -0.55 0.00 0.00 175.29 173.29 2c9i s HIS 211 N -0.05 2.05 -0.02 1.67 5.65 0.29 -0.72 115.29 124.15 2c9i s HIS 211 Ca -0.05 -0.39 -0.02 0.00 0.25 0.00 0.00 55.06 54.86 2c9i s HIS 211 Cb -0.13 -1.19 0.01 0.00 -1.18 0.00 0.00 32.58 30.09 2c9i s HIS 211 CO 0.03 0.15 0.05 -2.00 -0.65 0.00 0.00 174.74 172.33 2c9i s GLU 212 N -1.42 0.05 -0.07 2.88 2.12 -0.61 -0.42 118.70 121.23 2c9i s GLU 212 Ca 0.10 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.58 2c9i s GLU 212 Cb -0.10 -0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 2c9i s GLU 212 CO 0.03 -0.04 -0.22 -1.12 -0.54 0.00 0.00 175.26 173.37 2c9i s SER 213 N 0.26 2.72 -0.05 -1.70 0.01 -0.62 -1.79 113.70 112.52 2c9i s SER 213 Ca -0.02 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.79 2c9i s SER 213 Cb -0.03 -0.93 0.02 0.00 0.21 0.00 0.00 66.02 65.29 2c9i s SER 213 CO -0.01 0.18 -0.06 -0.69 0.41 0.00 0.00 173.24 173.07 2c9i s VAL 214 N 0.10 0.69 -0.14 3.43 1.01 0.37 -1.51 120.40 124.36 2c9i s VAL 214 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2c9i s VAL 214 Cb -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2c9i s VAL 214 CO 0.05 0.26 -0.14 -0.69 0.00 0.00 0.00 175.10 174.58 2c9i s VAL 215 N 0.88 1.55 -0.03 2.92 1.01 -0.55 -1.21 120.40 124.99 2c9i s VAL 215 Ca -0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2c9i s VAL 215 Cb -0.15 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2c9i s VAL 215 CO 0.01 0.46 0.35 0.00 0.00 0.00 0.00 175.10 175.92 2c9i s ALA 216 N 1.41 3.73 -0.04 5.51 0.00 -0.06 -0.38 121.76 131.94 2c9i s ALA 216 Ca 0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2c9i s ALA 216 Cb -0.13 -2.30 0.10 0.00 0.00 0.00 0.00 23.12 20.79 2c9i s ALA 216 CO -0.09 0.51 0.89 0.45 0.00 0.00 0.00 175.76 177.51 2c9i s SER 217 N -1.05 -0.40 1.12 0.00 0.15 -0.58 -4.31 113.70 108.63 2c9i s SER 217 Ca 0.22 0.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.87 2c9i s SER 217 Cb -0.16 0.39 0.25 0.00 -1.71 0.00 0.00 66.02 64.79 2c9i s SER 217 CO 0.11 -0.56 1.12 -0.31 1.20 0.00 0.00 173.24 174.80 2c9i s TYR 218 N -2.45 1.10 0.37 3.44 4.12 -1.26 -1.25 117.35 121.42 2c9i s TYR 218 Ca 0.02 0.63 -0.28 0.00 0.02 0.00 0.00 57.07 57.46 2c9i s TYR 218 Cb -0.01 -3.44 -0.10 0.00 -1.52 0.00 0.00 41.96 36.89 2c9i s TYR 218 CO -0.05 -3.47 1.35 0.45 0.02 0.00 0.00 175.55 173.86 2c9i s SER 219 N -3.84 6.51 0.45 2.29 0.15 -1.26 -4.86 113.70 113.15 2c9i s SER 219 Ca 0.69 2.78 0.25 0.00 0.70 0.00 0.00 55.95 60.37 2c9i s SER 219 Cb -0.12 -2.65 0.66 0.00 -1.71 0.00 0.00 66.02 62.20 2c9i s SER 219 CO 0.56 -0.72 1.72 0.06 1.20 0.00 0.00 173.24 176.06 2c9i h GLN 220 N 3.06 0.00 -6.24 5.44 3.07 -1.99 -3.45 115.11 115.00 2c9i h GLN 220 Ca -0.50 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 57.69 2c9i h GLN 220 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.76 2c9i h GLN 220 CO 0.64 0.08 0.32 0.54 0.09 0.00 0.00 178.83 180.50 2c9i s VAL 221 N -3.36 4.91 0.64 1.86 0.11 -1.26 -5.03 120.40 118.27 2c9i s VAL 221 Ca 0.04 1.84 -0.18 0.00 -2.93 0.00 0.00 61.98 60.76 2c9i s VAL 221 Cb 0.07 -4.22 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2c9i s VAL 221 CO 0.64 0.15 0.96 -2.65 -3.33 0.00 0.00 175.10 170.87 2c9i n PRO 222 N 4.15 0.78 -4.39 1.54 -0.02 -1.26 -5.04 135.00 130.77 2c9i n PRO 222 Ca 0.04 0.31 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 2c9i n PRO 222 Cb 0.51 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 2c9i n PRO 222 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2c9i s SER 223 N -1.36 4.45 0.00 2.55 0.15 -1.26 -5.01 113.70 113.22 2c9i s SER 223 Ca 0.76 -0.27 0.21 0.00 0.70 0.00 0.00 55.95 57.35 2c9i s SER 223 Cb -0.39 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 2c9i s SER 223 CO 0.47 0.24 0.99 0.29 1.20 0.00 0.00 173.24 176.43 2c9i n LYS 224 N 1.21 1.24 0.00 5.44 5.02 -1.26 -4.28 118.16 125.54 2c9i n LYS 224 Ca -0.15 -0.81 0.08 0.00 -2.02 0.00 0.00 58.31 55.41 2c9i n LYS 224 Cb 0.52 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2c9i n LYS 224 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2c9i n LEU 225 N -0.25 1.90 -0.40 -0.35 4.32 -1.26 -4.99 117.00 115.98 2c9i n LEU 225 Ca 0.08 -0.87 -0.04 0.00 -0.02 0.00 0.00 56.01 55.16 2c9i n LEU 225 Cb 0.41 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.20 2c9i n LEU 225 CO 0.28 0.35 -0.05 0.61 -1.22 0.00 0.00 177.39 177.36 2c9i n GLY 226 N 1.02 0.48 3.91 -0.72 0.00 -1.26 -5.05 105.19 103.57 2c9i n GLY 226 Ca 0.08 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 2c9i n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c9i s HIS 227 N -2.18 3.49 -2.00 1.61 3.76 -1.26 -5.10 115.29 113.60 2c9i s HIS 227 Ca 0.00 0.67 0.17 0.00 -0.15 0.00 0.00 55.06 55.75 2c9i s HIS 227 Cb 0.00 -2.14 1.03 0.00 1.11 0.00 0.00 32.58 32.58 2c9i s HIS 227 CO 0.00 0.08 1.43 0.09 -0.85 0.00 0.00 174.74 175.49