#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 3.56 0.17 3.17 2.02 -1.26 -5.04 117.35 119.97 2c9i s TYR 2 Ca 0.00 0.51 -0.33 0.00 -0.37 0.00 0.00 57.07 56.87 2c9i s TYR 2 Cb 0.00 -1.94 -0.15 0.00 -0.40 0.00 0.00 41.96 39.47 2c9i s TYR 2 CO 0.00 0.62 1.37 -2.30 -1.57 0.00 0.00 175.55 173.67 2c9i n PRO 3 N 1.03 1.65 -1.18 -1.71 -0.02 -1.26 -2.44 135.00 131.06 2c9i n PRO 3 Ca -0.11 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 61.89 2c9i n PRO 3 Cb 0.53 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2c9i n PRO 3 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c9i n SER 4 N 2.50 -5.54 -4.52 2.55 3.41 -1.26 -4.83 113.62 105.94 2c9i n SER 4 Ca 0.15 0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.53 2c9i n SER 4 Cb 0.26 -3.83 -0.10 0.00 -0.26 0.00 0.00 64.21 60.29 2c9i n SER 4 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2c9i s ILE 5 N -1.59 5.21 0.32 -1.33 -1.09 -1.02 -4.98 121.20 116.71 2c9i s ILE 5 Ca 0.00 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 2c9i s ILE 5 Cb 0.00 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2c9i s ILE 5 CO 0.00 -0.14 0.49 -0.54 -1.23 0.00 0.00 174.94 173.52 2c9i s LYS 6 N 1.90 3.47 0.29 2.79 1.02 -1.26 -4.79 119.74 123.16 2c9i s LYS 6 Ca 0.09 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.65 2c9i s LYS 6 Cb -0.17 -2.73 0.64 0.00 -0.52 0.00 0.00 37.83 35.05 2c9i s LYS 6 CO 0.11 0.23 1.79 1.49 -0.92 0.00 0.00 175.35 178.05 2c9i h GLU 7 N 0.87 0.77 -4.78 1.68 4.57 -1.98 -3.40 114.58 112.32 2c9i h GLU 7 Ca -0.50 -0.05 -0.57 0.00 -1.18 0.00 0.00 59.36 57.06 2c9i h GLU 7 Cb 1.22 -0.17 -0.34 0.00 -0.16 0.00 0.00 28.75 29.30 2c9i h GLU 7 CO 0.61 0.51 -0.83 0.99 -1.18 0.00 0.00 179.01 179.11 2c9i s THR 8 N -5.91 1.43 -0.00 0.32 2.01 -1.26 -3.98 115.64 108.24 2c9i s THR 8 Ca -0.12 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2c9i s THR 8 Cb 0.23 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 2c9i s THR 8 CO 0.80 0.42 -0.08 -0.04 -0.69 0.00 0.00 174.62 175.03 2c9i s MET 9 N 0.66 0.68 0.43 4.92 -1.94 -0.89 -5.00 119.30 118.15 2c9i s MET 9 Ca -0.14 -0.33 -0.03 0.00 -1.71 0.00 0.00 55.69 53.49 2c9i s MET 9 Cb -0.16 -0.65 -0.03 0.00 2.01 0.00 0.00 34.83 36.00 2c9i s MET 9 CO 0.04 0.18 0.69 1.03 -0.01 0.00 0.00 175.02 176.94 2c9i s ARG 10 N -0.27 3.46 -0.07 2.03 0.52 0.02 -1.82 118.95 122.81 2c9i s ARG 10 Ca 0.03 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 2c9i s ARG 10 Cb -0.04 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.95 2c9i s ARG 10 CO -0.00 -0.09 -0.11 0.08 0.02 0.00 0.00 175.30 175.20 2c9i s VAL 11 N -2.57 1.07 -0.21 3.52 1.01 0.57 -0.10 120.40 123.69 2c9i s VAL 11 Ca 0.45 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2c9i s VAL 11 Cb -0.10 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2c9i s VAL 11 CO 0.41 0.35 -0.12 -1.58 0.00 0.00 0.00 175.10 174.15 2c9i s GLN 12 N 0.87 3.06 -0.00 2.72 0.74 -0.23 -2.28 119.66 124.53 2c9i s GLN 12 Ca -0.11 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.55 2c9i s GLN 12 Cb -0.15 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 2c9i s GLN 12 CO 0.01 -0.25 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.16 2c9i s LEU 13 N 1.35 2.06 -0.03 3.68 0.20 0.10 -0.07 118.68 125.97 2c9i s LEU 13 Ca 0.04 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.54 2c9i s LEU 13 Cb -0.14 -0.84 0.01 0.00 -0.43 0.00 0.00 46.19 44.78 2c9i s LEU 13 CO -0.08 0.18 -0.08 -0.94 -0.29 0.00 0.00 176.35 175.14 2c9i s SER 14 N -0.56 1.18 -0.03 3.68 1.04 -0.21 -0.37 113.70 118.43 2c9i s SER 14 Ca 0.06 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.33 2c9i s SER 14 Cb -0.07 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2c9i s SER 14 CO -0.00 0.05 -0.10 -0.32 0.98 0.00 0.00 173.24 173.84 2c9i s MET 15 N 0.32 1.09 0.08 4.02 0.00 0.14 -0.21 119.30 124.74 2c9i s MET 15 Ca -0.05 -0.34 0.04 0.00 0.00 0.00 0.00 55.69 55.34 2c9i s MET 15 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 34.83 33.70 2c9i s MET 15 CO 0.01 0.12 -0.11 -1.83 0.00 0.00 0.00 175.02 173.21 2c9i s GLU 16 N 0.22 0.79 0.00 4.11 -1.05 -0.84 0.43 118.70 122.36 2c9i s GLU 16 Ca -0.04 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 2c9i s GLU 16 Cb -0.09 -0.58 0.00 0.00 -0.44 0.00 0.00 34.13 33.02 2c9i s GLU 16 CO 0.01 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.73 2c9i n GLY 17 N 0.88 -0.99 3.24 -3.83 0.00 -0.77 -1.57 105.19 102.16 2c9i n GLY 17 Ca -0.18 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.25 -0.05 1.61 1.04 -0.93 -0.47 113.70 110.65 2c9i s SER 18 Ca 0.00 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.72 2c9i s SER 18 Cb 0.00 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2c9i s SER 18 CO 0.00 -0.35 -0.04 -0.69 0.98 0.00 0.00 173.24 173.14 2c9i s VAL 19 N -0.87 0.55 -1.16 5.02 1.01 -0.58 -0.43 120.40 123.94 2c9i s VAL 19 Ca -0.09 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2c9i s VAL 19 Cb -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2c9i s VAL 19 CO 0.03 0.24 0.75 0.59 0.00 0.00 0.00 175.10 176.71 2c9i n ASN 20 N 4.29 -4.86 0.00 3.32 5.03 -0.57 -1.58 115.26 120.89 2c9i n ASN 20 Ca -0.21 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.11 2c9i n ASN 20 Cb 0.51 -2.65 0.00 0.00 -1.02 0.00 0.00 39.78 36.62 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 -4.52 0.00 -3.27 3.10 4.02 -1.26 -4.97 117.16 110.26 2c9i n TYR 21 Ca -0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.37 2c9i n TYR 21 Cb 0.58 -0.29 -0.08 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.63 3.17 0.28 -0.72 2.46 -0.61 -5.06 115.29 113.18 2c9i s HIS 22 Ca 0.00 0.01 -0.20 0.00 0.47 0.00 0.00 55.06 55.34 2c9i s HIS 22 Cb 0.00 -2.92 -0.09 0.00 -0.13 0.00 0.00 32.58 29.44 2c9i s HIS 22 CO 0.00 -0.59 0.78 0.00 -2.47 0.00 0.00 174.74 172.47 2c9i s ALA 23 N 2.33 3.32 0.16 1.58 0.00 -1.26 -1.53 121.76 126.36 2c9i s ALA 23 Ca 0.17 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 2c9i s ALA 23 Cb -0.16 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2c9i s ALA 23 CO 0.14 0.29 0.41 -0.59 0.00 0.00 0.00 175.76 176.00 2c9i s PHE 24 N -1.70 -0.02 0.00 0.00 -0.12 0.38 -4.26 117.98 112.27 2c9i s PHE 24 Ca 0.48 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 57.05 2c9i s PHE 24 Cb -0.15 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 2c9i s PHE 24 CO 0.20 -0.78 -0.04 0.15 -0.05 0.00 0.00 175.22 174.70 2c9i s LYS 25 N -3.87 0.33 0.05 1.99 1.02 0.01 -1.84 119.74 117.43 2c9i s LYS 25 Ca 0.09 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.88 2c9i s LYS 25 Cb 0.01 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 2c9i s LYS 25 CO -0.06 0.07 -0.10 0.00 -0.92 0.00 0.00 175.35 174.34 2c9i s THR 27 N -1.40 1.28 -0.03 0.00 -4.23 -0.54 0.26 115.64 110.98 2c9i s THR 27 Ca -0.07 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2c9i s THR 27 Cb -0.10 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.57 2c9i s THR 27 CO 0.01 -0.17 0.01 -0.83 -0.54 0.00 0.00 174.62 173.10 2c9i s GLY 28 N -1.77 0.24 -0.07 3.99 0.00 0.50 -1.44 107.32 108.77 2c9i s GLY 28 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.91 2c9i s GLY 28 CO 0.03 0.77 -0.14 1.25 0.00 0.00 0.00 173.10 175.01 2c9i s LYS 29 N 1.27 1.91 0.00 2.90 2.47 -0.71 0.01 119.74 127.59 2c9i s LYS 29 Ca -0.06 -0.49 0.00 0.00 -1.56 0.00 0.00 55.97 53.86 2c9i s LYS 29 Cb -0.13 -1.54 0.00 0.00 -1.46 0.00 0.00 37.83 34.69 2c9i s LYS 29 CO -0.02 0.05 0.00 0.41 0.16 0.00 0.00 175.35 175.95 2c9i n GLY 30 N 3.77 1.80 3.82 5.54 0.00 -0.97 -0.46 105.19 118.70 2c9i n GLY 30 Ca -0.22 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 0.36 2.11 0.03 1.61 1.03 -0.92 -0.32 118.70 122.59 2c9i s GLU 31 Ca 0.00 -1.32 -0.22 0.00 0.03 0.00 0.00 54.97 53.46 2c9i s GLU 31 Cb 0.00 0.62 0.07 0.00 -0.80 0.00 0.00 34.13 34.02 2c9i s GLU 31 CO 0.00 -0.98 1.00 0.41 -1.33 0.00 0.00 175.26 174.36 2c9i n GLY 32 N -0.52 0.41 3.09 -3.83 0.00 -0.75 -0.49 105.19 103.10 2c9i n GLY 32 Ca -0.07 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 2c9i n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9i s LYS 33 N -2.02 1.88 0.23 1.61 -0.14 0.46 -2.09 119.74 119.66 2c9i s LYS 33 Ca 0.23 -1.84 -0.07 0.00 -1.36 0.00 0.00 55.97 52.93 2c9i s LYS 33 Cb -0.01 -3.50 0.38 0.00 -1.68 0.00 0.00 37.83 33.02 2c9i s LYS 33 CO 0.01 -1.04 1.72 -1.35 -0.76 0.00 0.00 175.35 173.92 2c9i h PRO 34 N 7.93 0.34 0.00 -1.68 0.11 -1.78 0.11 132.00 137.03 2c9i h PRO 34 Ca -0.11 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.89 2c9i h PRO 34 Cb 1.04 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2c9i h PRO 34 CO 0.66 0.22 -0.47 1.88 -0.21 0.00 0.00 178.00 180.08 2c9i h TYR 35 N 0.35 0.00 0.00 0.65 -1.99 -1.84 -2.82 116.97 111.32 2c9i h TYR 35 Ca 0.37 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.01 2c9i h TYR 35 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 2c9i h TYR 35 CO -0.21 0.47 -0.63 0.93 -0.00 0.00 0.00 178.16 178.71 2c9i h GLU 36 N 0.00 0.00 0.00 4.88 5.08 -1.65 -3.40 114.58 119.49 2c9i h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2c9i h GLU 36 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2c9i h GLU 36 CO 0.06 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 2c9i n GLY 37 N 1.23 0.38 3.34 -3.84 0.00 0.32 -4.37 105.19 102.26 2c9i n GLY 37 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 2c9i n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c9i s THR 38 N -2.00 2.11 -0.01 2.61 -4.23 -1.13 -0.34 115.64 112.65 2c9i s THR 38 Ca 0.00 -1.39 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 2c9i s THR 38 Cb 0.00 -1.81 0.04 0.00 1.34 0.00 0.00 72.50 72.07 2c9i s THR 38 CO 0.00 0.35 0.47 0.00 -0.54 0.00 0.00 174.62 174.91 2c9i s GLN 39 N -1.25 0.89 0.08 3.99 -2.07 -0.58 -0.41 119.66 120.31 2c9i s GLN 39 Ca 0.12 -0.09 0.07 0.00 -1.82 0.00 0.00 55.36 53.63 2c9i s GLN 39 Cb -0.10 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 2c9i s GLN 39 CO 0.02 -0.28 -0.18 0.45 -1.32 0.00 0.00 175.29 173.98 2c9i s SER 40 N -1.51 2.14 -0.08 12.60 0.15 0.36 -1.68 113.70 125.67 2c9i s SER 40 Ca -0.10 -0.63 -0.03 0.00 0.70 0.00 0.00 55.95 55.89 2c9i s SER 40 Cb -0.02 -0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2c9i s SER 40 CO 0.04 0.01 0.16 -0.22 1.20 0.00 0.00 173.24 174.43 2c9i s LEU 41 N -1.72 -0.07 -0.44 3.45 2.96 0.10 -2.17 118.68 120.78 2c9i s LEU 41 Ca 0.03 0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 54.04 2c9i s LEU 41 Cb -0.10 0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.87 2c9i s LEU 41 CO 0.03 -0.25 0.67 0.20 -1.32 0.00 0.00 176.35 175.69 2c9i s ASN 42 N 2.29 6.34 -0.15 3.68 0.01 0.40 -1.31 114.94 126.19 2c9i s ASN 42 Ca 0.03 -0.30 -0.05 0.00 -0.71 0.00 0.00 52.86 51.83 2c9i s ASN 42 Cb -0.12 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 2c9i s ASN 42 CO -0.06 -0.81 0.03 -0.63 -1.51 0.00 0.00 177.10 174.12 2c9i s ILE 43 N 2.92 4.49 -0.05 0.60 1.01 -0.01 -1.73 121.20 128.44 2c9i s ILE 43 Ca 0.24 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2c9i s ILE 43 Cb -0.14 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2c9i s ILE 43 CO 0.20 0.51 -0.21 0.28 0.00 0.00 0.00 174.94 175.72 2c9i s THR 44 N 0.01 1.75 -0.53 2.92 -1.32 -0.52 -0.82 115.64 117.12 2c9i s THR 44 Ca 0.04 -0.90 -0.23 0.00 -1.21 0.00 0.00 61.69 59.39 2c9i s THR 44 Cb -0.13 -1.48 0.04 0.00 -1.51 0.00 0.00 72.50 69.42 2c9i s THR 44 CO 0.01 0.49 0.85 -0.63 -2.21 0.00 0.00 174.62 173.14 2c9i s ILE 45 N -0.10 4.53 0.01 5.08 1.01 0.90 -1.47 121.20 131.15 2c9i s ILE 45 Ca -0.03 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2c9i s ILE 45 Cb -0.12 -4.46 -0.34 0.00 0.01 0.00 0.00 42.46 37.54 2c9i s ILE 45 CO 0.03 -1.00 0.92 0.71 0.00 0.00 0.00 174.94 175.59 2c9i h THR 46 N 5.98 1.22 -4.10 2.92 1.35 -1.40 -3.45 112.91 115.44 2c9i h THR 46 Ca -0.26 -2.64 -0.46 0.00 -0.55 0.00 0.00 66.41 62.49 2c9i h THR 46 Cb 1.08 3.00 -0.27 0.00 -1.73 0.00 0.00 68.15 70.23 2c9i h THR 46 CO 1.05 0.81 -0.80 -1.61 -0.25 0.00 0.00 175.52 174.72 2c9i s GLU 47 N -2.58 1.00 0.00 4.72 2.02 -1.08 -4.79 118.70 117.98 2c9i s GLU 47 Ca -0.11 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2c9i s GLU 47 Cb 0.04 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.28 2c9i s GLU 47 CO 0.92 0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.87 2c9i n GLY 48 N 2.26 1.03 7.00 -1.39 0.00 -1.26 -0.81 105.19 112.02 2c9i n GLY 48 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.49 1.98 3.64 -0.02 0.00 -1.26 -3.80 105.19 104.24 2c9i n GLY 49 Ca 0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2c9i n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c9i s PRO 50 N 0.00 4.05 0.16 1.61 0.02 -1.26 -4.83 135.00 134.75 2c9i s PRO 50 Ca 0.00 1.58 -0.32 0.00 0.02 0.00 0.00 61.00 62.29 2c9i s PRO 50 Cb 0.00 -3.87 -0.11 0.00 0.02 0.00 0.00 34.50 30.54 2c9i s PRO 50 CO 0.00 -0.96 1.71 -0.51 -0.33 0.00 0.00 177.00 176.90 2c9i s LEU 51 N 4.14 4.38 0.00 -5.54 1.02 -1.25 -4.89 118.68 116.54 2c9i s LEU 51 Ca 0.60 2.74 0.29 0.00 0.02 0.00 0.00 54.13 57.78 2c9i s LEU 51 Cb -0.22 -3.59 1.63 0.00 0.02 0.00 0.00 46.19 44.04 2c9i s LEU 51 CO 0.21 -0.94 2.04 -0.81 0.02 0.00 0.00 176.35 176.87 2c9i n PRO 52 N 4.57 0.74 -4.54 1.29 -0.04 -1.26 -4.79 135.00 130.98 2c9i n PRO 52 Ca 0.16 0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.36 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 -2.19 2.45 0.05 0.54 -0.12 -1.26 -4.66 117.98 112.80 2c9i s PHE 53 Ca 0.38 -0.54 -0.30 0.00 -0.05 0.00 0.00 56.93 56.41 2c9i s PHE 53 Cb 0.20 -1.51 -0.08 0.00 -0.63 0.00 0.00 43.02 41.00 2c9i s PHE 53 CO 0.37 0.53 1.64 0.00 -0.05 0.00 0.00 175.22 177.71 2c9i s ALA 54 N -2.63 3.66 0.49 1.99 0.00 0.56 -4.89 121.76 120.94 2c9i s ALA 54 Ca 0.34 1.15 0.17 0.00 0.00 0.00 0.00 51.96 53.62 2c9i s ALA 54 Cb 0.04 -3.70 1.20 0.00 0.00 0.00 0.00 23.12 20.66 2c9i s ALA 54 CO 0.17 -1.14 2.05 0.35 0.00 0.00 0.00 175.76 177.19 2c9i h PHE 55 N 8.51 0.17 -1.11 0.00 3.04 -1.92 -2.94 116.94 122.69 2c9i h PHE 55 Ca -0.42 0.00 0.32 0.00 3.98 0.00 0.00 57.97 61.85 2c9i h PHE 55 Cb 1.20 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.59 2c9i h PHE 55 CO 0.80 0.09 0.78 -0.44 -2.02 0.00 0.00 178.31 177.52 2c9i h ASP 56 N 0.17 0.09 0.49 0.41 3.32 -1.97 -0.10 116.42 118.84 2c9i h ASP 56 Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2c9i h ASP 56 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2c9i h ASP 56 CO -0.03 0.02 0.00 2.30 -1.72 0.00 0.00 179.24 179.81 2c9i n ILE 57 N -4.29 0.49 0.40 0.35 -5.35 -1.11 -2.40 119.36 107.45 2c9i n ILE 57 Ca 0.24 0.12 0.10 0.00 -0.27 0.00 0.00 62.75 62.94 2c9i n ILE 57 Cb 1.13 -0.79 -0.13 0.00 -1.74 0.00 0.00 39.64 38.11 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 -1.36 0.41 -0.35 7.28 4.77 -0.05 -4.66 117.00 123.03 2c9i n LEU 58 Ca 0.08 -0.22 0.03 0.00 -0.03 0.00 0.00 56.01 55.87 2c9i n LEU 58 Cb 0.19 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.48 2c9i n LEU 58 CO 0.16 0.10 1.26 0.28 -1.33 0.00 0.00 177.39 177.86 2c9i h SER 59 N 0.00 0.99 0.30 -1.43 0.02 -1.52 -1.38 113.55 110.54 2c9i h SER 59 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2c9i h SER 59 Cb 0.70 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2c9i h SER 59 CO 0.00 0.62 -0.33 0.45 -1.14 0.00 0.00 176.83 176.44 2c9i h HIS 60 N 1.12 0.05 0.00 3.45 3.86 -1.83 -2.92 115.15 118.88 2c9i h HIS 60 Ca 0.43 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.47 2c9i h HIS 60 Cb 0.21 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2c9i h HIS 60 CO -0.00 0.37 -0.74 0.00 0.86 0.00 0.00 177.93 178.41 2c9i h ALA 61 N 1.63 0.77 0.00 2.45 0.00 -1.57 -3.46 119.26 119.09 2c9i h ALA 61 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 54.91 53.82 2c9i h ALA 61 Cb 0.60 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.29 2c9i h ALA 61 CO 0.04 0.93 2.75 1.19 0.00 0.00 0.00 179.25 184.16 2c9i n PHE 62 N -3.65 1.50 0.00 0.00 3.72 -1.04 -4.99 117.46 112.99 2c9i n PHE 62 Ca -0.01 -2.09 0.00 0.00 -0.05 0.00 0.00 57.45 55.31 2c9i n PHE 62 Cb 0.72 -1.76 0.00 0.00 -0.94 0.00 0.00 39.48 37.50 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 4.18 0.00 1.38 4.37 5.41 -1.26 -5.12 119.36 128.32 2c9i n ILE 66 Ca 0.48 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.31 2c9i n ILE 66 Cb 0.15 0.00 0.47 0.00 -0.71 0.00 0.00 39.64 39.54 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 0.69 -0.16 0.38 4.76 -1.26 -2.37 118.16 120.20 2c9i n LYS 67 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2c9i n LYS 67 Cb 0.00 -1.36 0.30 0.00 -1.84 0.00 0.00 35.03 32.13 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 1.16 -1.58 -0.18 2.07 -1.95 -3.30 116.25 112.48 2c9i h VAL 68 Ca 0.00 -0.31 -0.72 0.00 0.82 0.00 0.00 66.70 66.49 2c9i h VAL 68 Cb 0.00 0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 29.83 2c9i h VAL 68 CO 0.00 0.16 1.79 0.49 0.02 0.00 0.00 177.57 180.03 2c9i n PHE 69 N -4.44 4.54 -3.80 1.57 3.01 -1.00 -4.66 117.46 112.69 2c9i n PHE 69 Ca 0.07 -3.12 -0.13 0.00 1.01 0.00 0.00 57.45 55.28 2c9i n PHE 69 Cb 0.05 -2.30 -0.14 0.00 -0.01 0.00 0.00 39.48 37.07 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 2.23 -0.15 -0.58 4.37 0.00 -1.07 -4.42 121.76 122.13 2c9i s ALA 70 Ca 0.46 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 2c9i s ALA 70 Cb 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.90 2c9i s ALA 70 CO 0.02 -0.09 1.21 0.21 0.00 0.00 0.00 175.76 177.11 2c9i s LYS 71 N 0.65 3.49 -0.14 0.00 2.20 -0.64 -4.41 119.74 120.89 2c9i s LYS 71 Ca -0.05 0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.77 2c9i s LYS 71 Cb -0.07 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2c9i s LYS 71 CO -0.03 -1.72 -0.02 0.71 -0.36 0.00 0.00 175.35 173.94 2c9i s TYR 72 N 5.07 3.07 0.60 4.03 1.51 -1.26 -0.60 117.35 129.77 2c9i s TYR 72 Ca 0.43 -0.12 -0.16 0.00 -1.01 0.00 0.00 57.07 56.21 2c9i s TYR 72 Cb -0.08 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2c9i s TYR 72 CO 0.25 0.12 1.09 -1.25 -1.11 0.00 0.00 175.55 174.65 2c9i s PRO 73 N 0.01 3.15 0.29 -1.71 0.04 -1.26 -4.95 135.00 130.56 2c9i s PRO 73 Ca 0.02 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.44 2c9i s PRO 73 Cb -0.13 -2.00 0.59 0.00 0.04 0.00 0.00 34.50 33.00 2c9i s PRO 73 CO 0.02 -0.97 1.84 -0.22 0.04 0.00 0.00 177.00 177.72 2c9i h LYS 74 N 0.49 0.93 0.00 4.56 3.11 -1.99 -2.47 116.57 121.20 2c9i h LYS 74 Ca -0.48 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.31 2c9i h LYS 74 Cb 1.24 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 2c9i h LYS 74 CO 0.56 0.62 0.00 -0.85 -2.81 0.00 0.00 179.45 176.97 2c9i n GLU 75 N -4.61 0.68 -4.19 1.90 0.00 -1.26 -4.64 120.64 108.51 2c9i n GLU 75 Ca 0.19 0.01 -0.34 0.00 0.00 0.00 0.00 57.16 57.02 2c9i n GLU 75 Cb 0.37 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.16 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 -2.29 2.70 0.17 3.84 1.01 -0.93 -5.04 121.20 120.66 2c9i s ILE 76 Ca 0.36 -0.74 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 2c9i s ILE 76 Cb 0.20 -2.17 -0.12 0.00 0.01 0.00 0.00 42.46 40.38 2c9i s ILE 76 CO 0.40 0.49 1.74 -2.65 0.00 0.00 0.00 174.94 174.92 2c9i n PRO 77 N 4.47 2.70 -2.94 2.79 -0.02 -1.26 -4.66 135.00 136.09 2c9i n PRO 77 Ca -0.19 0.98 -0.44 0.00 -2.02 0.00 0.00 63.50 61.82 2c9i n PRO 77 Cb 0.51 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 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 1.60 6.40 0.24 2.55 3.68 -1.26 -4.50 116.67 125.37 2c9i s ASP 78 Ca 0.78 -1.57 -0.06 0.00 2.13 0.00 0.00 52.55 53.82 2c9i s ASP 78 Cb -0.52 -2.39 0.32 0.00 -1.45 0.00 0.00 42.92 38.87 2c9i s ASP 78 CO 0.35 -1.20 1.85 0.15 0.13 0.00 0.00 175.17 176.44 2c9i h PHE 79 N 9.14 0.97 -0.10 -5.34 3.04 -1.92 -2.35 116.94 120.38 2c9i h PHE 79 Ca -0.08 0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.67 2c9i h PHE 79 Cb 1.05 -0.31 0.01 0.00 2.56 0.00 0.00 35.95 39.26 2c9i h PHE 79 CO 1.04 0.50 -0.84 0.74 -2.02 0.00 0.00 178.31 177.73 2c9i h PHE 80 N 0.96 1.03 -0.10 0.41 -1.00 -1.91 -1.28 116.94 115.06 2c9i h PHE 80 Ca 0.36 -0.49 -0.13 0.00 2.81 0.00 0.00 57.97 60.52 2c9i h PHE 80 Cb 0.15 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2c9i h PHE 80 CO -0.03 1.33 -0.51 0.87 -1.61 0.00 0.00 178.31 178.35 2c9i h LYS 81 N 0.45 0.26 -0.69 1.51 1.57 -1.86 -2.09 116.57 115.71 2c9i h LYS 81 Ca -0.08 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 2c9i h LYS 81 Cb 1.49 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.78 2c9i h LYS 81 CO 0.17 0.72 0.15 1.96 -0.57 0.00 0.00 179.45 181.88 2c9i h GLN 82 N 0.21 1.12 0.00 3.15 4.20 -1.33 -3.31 115.11 119.15 2c9i h GLN 82 Ca 0.01 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2c9i h GLN 82 Cb 0.98 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2c9i h GLN 82 CO 0.08 1.00 -0.75 0.77 -0.67 0.00 0.00 178.83 179.26 2c9i h SER 83 N 1.06 0.00 -0.12 1.46 0.02 -1.08 -3.39 113.55 111.49 2c9i h SER 83 Ca 0.22 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2c9i h SER 83 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2c9i h SER 83 CO 0.01 0.02 -0.09 0.25 -1.14 0.00 0.00 176.83 175.88 2c9i h LEU 84 N 0.00 -0.28 -0.94 5.07 6.46 -1.47 0.15 115.31 124.30 2c9i h LEU 84 Ca 0.00 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 2c9i h LEU 84 Cb 0.95 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 2c9i h LEU 84 CO 0.00 -0.12 0.60 -0.65 -0.62 0.00 0.00 178.44 177.65 2c9i h PRO 85 N -0.10 1.09 0.00 5.25 0.11 -1.80 -0.80 132.00 135.76 2c9i h PRO 85 Ca 0.08 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2c9i h PRO 85 Cb 0.21 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2c9i h PRO 85 CO -0.18 0.72 -0.27 0.78 -0.21 0.00 0.00 178.00 178.84 2c9i h GLY 86 N 1.12 0.00 0.00 -0.55 0.00 -1.81 -3.43 103.07 98.40 2c9i h GLY 86 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2c9i h GLY 86 CO -0.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.99 2c9i n GLY 87 N 1.17 1.37 3.51 4.60 0.00 0.53 -4.69 105.19 111.67 2c9i n GLY 87 Ca 0.03 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.57 0.22 0.06 1.61 -0.12 -0.79 -2.01 117.98 114.38 2c9i s PHE 88 Ca 0.00 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.35 2c9i s PHE 88 Cb 0.00 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2c9i s PHE 88 CO 0.00 -0.90 -0.12 -1.12 -0.05 0.00 0.00 175.22 173.03 2c9i s SER 89 N -2.96 1.42 0.06 1.98 0.01 -0.45 -0.10 113.70 113.66 2c9i s SER 89 Ca 0.17 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.89 2c9i s SER 89 Cb 0.00 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 2c9i s SER 89 CO 0.03 -0.11 -0.14 -1.66 0.41 0.00 0.00 173.24 171.76 2c9i s TRP 90 N -1.30 1.25 0.02 2.43 1.48 -0.40 -1.56 118.94 120.86 2c9i s TRP 90 Ca -0.04 -0.41 0.03 0.00 -1.06 0.00 0.00 56.10 54.61 2c9i s TRP 90 Cb -0.10 -0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 31.48 2c9i s TRP 90 CO 0.02 0.05 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.66 2c9i s GLU 91 N -1.50 0.63 -0.02 3.25 2.02 -0.56 -0.50 118.70 122.02 2c9i s GLU 91 Ca -0.00 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 2c9i s GLU 91 Cb -0.09 -0.56 0.00 0.00 0.10 0.00 0.00 34.13 33.58 2c9i s GLU 91 CO 0.02 0.14 0.09 0.50 0.02 0.00 0.00 175.26 176.03 2c9i s ARG 92 N -0.77 0.24 -0.15 1.61 3.52 0.34 -0.36 118.95 123.38 2c9i s ARG 92 Ca -0.01 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2c9i s ARG 92 Cb -0.06 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 2c9i s ARG 92 CO 0.00 -0.05 -0.21 0.08 -0.81 0.00 0.00 175.30 174.32 2c9i s VAL 93 N -0.54 2.13 -0.23 7.11 1.01 -0.71 -1.22 120.40 127.95 2c9i s VAL 93 Ca -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2c9i s VAL 93 Cb -0.04 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2c9i s VAL 93 CO 0.00 0.54 -0.03 -0.44 0.00 0.00 0.00 175.10 175.18 2c9i s SER 94 N 0.91 4.40 -0.33 3.32 0.01 -0.34 -1.70 113.70 119.97 2c9i s SER 94 Ca -0.05 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 2c9i s SER 94 Cb -0.15 -1.74 0.06 0.00 0.21 0.00 0.00 66.02 64.40 2c9i s SER 94 CO -0.04 -0.06 0.07 -0.89 0.41 0.00 0.00 173.24 172.73 2c9i s THR 95 N 1.45 3.29 0.41 1.44 2.01 -0.19 -0.96 115.64 123.09 2c9i s THR 95 Ca 0.04 -1.42 -0.22 0.00 0.31 0.00 0.00 61.69 60.40 2c9i s THR 95 Cb -0.15 -2.95 -0.11 0.00 0.01 0.00 0.00 72.50 69.31 2c9i s THR 95 CO -0.03 -0.23 0.95 -0.31 -0.69 0.00 0.00 174.62 174.31 2c9i s TYR 96 N 1.28 3.38 0.07 4.92 2.02 0.50 -1.24 117.35 128.28 2c9i s TYR 96 Ca -0.02 1.65 0.33 0.00 -0.37 0.00 0.00 57.07 58.66 2c9i s TYR 96 Cb -0.20 -2.88 1.52 0.00 -0.40 0.00 0.00 41.96 39.99 2c9i s TYR 96 CO -0.00 -0.08 1.97 1.05 -1.57 0.00 0.00 175.55 176.92 2c9i h GLU 97 N 2.20 0.00 -0.12 -0.62 4.11 -1.57 -2.28 114.58 116.30 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 0.62 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.30 2c9i n ASP 98 N -2.78 3.12 0.00 3.06 3.85 -1.26 -4.98 116.55 117.56 2c9i n ASP 98 Ca -0.00 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 2c9i n ASP 98 Cb 0.19 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 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 1.39 1.06 3.78 6.12 0.00 -0.86 -4.67 105.19 112.01 2c9i n GLY 99 Ca 0.15 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.51 2.94 -0.09 -0.02 0.00 -1.15 -4.67 107.32 103.82 2c9i s GLY 100 Ca 0.00 1.57 -0.00 0.00 0.00 0.00 0.00 44.72 46.28 2c9i s GLY 100 CO 0.00 2.25 -0.06 0.14 0.00 0.00 0.00 173.10 175.44 2c9i s VAL 101 N -1.12 0.82 -0.29 1.40 1.01 -0.67 -0.37 120.40 121.18 2c9i s VAL 101 Ca 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2c9i s VAL 101 Cb -0.46 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2c9i s VAL 101 CO 0.63 0.33 0.01 -0.22 0.00 0.00 0.00 175.10 175.84 2c9i s LEU 102 N 1.64 3.72 -0.04 3.92 1.98 -0.14 -1.68 118.68 128.09 2c9i s LEU 102 Ca 0.02 -1.02 -0.10 0.00 -2.89 0.00 0.00 54.13 50.13 2c9i s LEU 102 Cb -0.13 -1.75 -0.05 0.00 0.66 0.00 0.00 46.19 44.92 2c9i s LEU 102 CO -0.06 -0.22 0.29 -0.44 -1.89 0.00 0.00 176.35 174.03 2c9i s SER 103 N 1.34 6.60 -0.04 3.68 0.01 0.11 -1.20 113.70 124.20 2c9i s SER 103 Ca -0.02 0.71 -0.07 0.00 1.31 0.00 0.00 55.95 57.89 2c9i s SER 103 Cb -0.18 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.90 2c9i s SER 103 CO -0.01 0.34 0.16 0.00 0.41 0.00 0.00 173.24 174.14 2c9i s ALA 104 N -1.11 -0.39 0.02 1.44 0.00 -0.35 -0.18 121.76 121.17 2c9i s ALA 104 Ca 0.22 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.45 2c9i s ALA 104 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2c9i s ALA 104 CO 0.11 -0.13 -0.07 -0.08 0.00 0.00 0.00 175.76 175.58 2c9i s THR 105 N -0.48 0.53 -0.13 0.00 -1.32 -0.34 -0.51 115.64 113.39 2c9i s THR 105 Ca -0.06 -0.66 -0.12 0.00 -1.21 0.00 0.00 61.69 59.64 2c9i s THR 105 Cb -0.04 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.47 2c9i s THR 105 CO 0.01 -0.11 0.35 -1.58 -2.21 0.00 0.00 174.62 171.08 2c9i s GLN 106 N -0.84 0.41 -0.12 7.08 -0.44 0.35 -0.68 119.66 125.41 2c9i s GLN 106 Ca -0.03 0.49 0.01 0.00 -2.50 0.00 0.00 55.36 53.33 2c9i s GLN 106 Cb -0.06 0.19 -0.01 0.00 -1.64 0.00 0.00 33.01 31.49 2c9i s GLN 106 CO 0.00 -0.05 -0.16 -2.00 0.50 0.00 0.00 175.29 173.58 2c9i s GLU 107 N 0.21 3.26 -0.10 1.67 2.12 -0.67 -1.27 118.70 123.91 2c9i s GLU 107 Ca -0.00 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.61 2c9i s GLU 107 Cb -0.03 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2c9i s GLU 107 CO 0.00 0.22 -0.17 0.99 -0.54 0.00 0.00 175.26 175.76 2c9i s THR 108 N 0.32 2.72 0.15 -1.70 2.01 0.86 -1.77 115.64 118.23 2c9i s THR 108 Ca -0.13 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 2c9i s THR 108 Cb -0.16 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 2c9i s THR 108 CO 0.07 0.55 0.08 -0.94 -0.69 0.00 0.00 174.62 173.69 2c9i s SER 109 N 0.12 0.26 -0.07 3.53 1.04 -0.42 -1.88 113.70 116.27 2c9i s SER 109 Ca -0.08 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.13 2c9i s SER 109 Cb -0.15 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.30 2c9i s SER 109 CO 0.05 -0.76 -0.13 -0.22 0.98 0.00 0.00 173.24 173.16 2c9i s LEU 110 N -3.07 1.66 -0.26 2.42 2.96 -1.26 -0.61 118.68 120.51 2c9i s LEU 110 Ca 0.28 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2c9i s LEU 110 Cb 0.07 -0.89 0.09 0.00 0.50 0.00 0.00 46.19 45.96 2c9i s LEU 110 CO 0.04 0.03 0.10 -1.10 -1.32 0.00 0.00 176.35 174.10 2c9i s GLN 111 N 0.72 0.42 7.59 1.98 -0.21 -0.82 -5.02 119.66 124.31 2c9i s GLN 111 Ca -0.13 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.64 2c9i s GLN 111 Cb -0.16 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.18 2c9i s GLN 111 CO 0.03 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 2c9i n GLY 112 N 5.10 2.68 0.96 3.09 0.00 -1.26 -2.23 105.19 113.54 2c9i n GLY 112 Ca -0.06 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 9.35 3.46 -4.47 1.61 5.75 -1.26 -4.96 116.55 126.03 2c9i n ASP 113 Ca 0.00 -2.09 -0.38 0.00 -0.01 0.00 0.00 54.79 52.31 2c9i n ASP 113 Cb 0.00 -0.36 -0.12 0.00 -1.03 0.00 0.00 41.12 39.61 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 1.64 4.68 -0.24 0.00 1.01 0.86 -1.95 121.20 127.20 2c9i s ILE 115 Ca 0.06 0.69 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 2c9i s ILE 115 Cb -0.16 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 2c9i s ILE 115 CO 0.06 -0.57 0.35 -0.63 0.00 0.00 0.00 174.94 174.14 2c9i s ILE 116 N 3.21 5.22 -0.09 2.92 1.01 0.22 -1.07 121.20 132.61 2c9i s ILE 116 Ca 0.31 0.56 0.04 0.00 0.00 0.00 0.00 60.65 61.56 2c9i s ILE 116 Cb -0.13 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2c9i s ILE 116 CO 0.20 0.23 -0.23 0.00 0.00 0.00 0.00 174.94 175.13 2c9i s LYS 118 N 0.28 1.68 -0.07 0.00 1.02 -0.73 -1.04 119.74 120.88 2c9i s LYS 118 Ca -0.16 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.00 2c9i s LYS 118 Cb -0.17 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 2c9i s LYS 118 CO 0.08 -0.53 -0.14 0.08 -0.92 0.00 0.00 175.35 173.92 2c9i s VAL 119 N 1.45 3.06 -0.06 3.17 1.01 0.70 -1.67 120.40 128.05 2c9i s VAL 119 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2c9i s VAL 119 Cb -0.18 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 2c9i s VAL 119 CO -0.07 0.58 -0.22 -0.54 0.00 0.00 0.00 175.10 174.85 2c9i s LYS 120 N -0.48 2.37 -0.03 2.72 1.02 0.14 -1.99 119.74 123.49 2c9i s LYS 120 Ca 0.06 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2c9i s LYS 120 Cb -0.12 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2c9i s LYS 120 CO 0.02 0.27 -0.15 0.08 -0.92 0.00 0.00 175.35 174.65 2c9i s VAL 121 N 0.07 1.23 -0.12 3.17 1.01 -0.61 -1.20 120.40 123.96 2c9i s VAL 121 Ca -0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2c9i s VAL 121 Cb -0.14 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.23 2c9i s VAL 121 CO 0.04 0.36 0.06 -0.22 0.00 0.00 0.00 175.10 175.34 2c9i s LEU 122 N -0.08 0.41 -0.07 3.92 1.98 0.74 -2.18 118.68 123.40 2c9i s LEU 122 Ca -0.00 -0.34 0.05 0.00 -2.89 0.00 0.00 54.13 50.95 2c9i s LEU 122 Cb -0.09 -0.28 -0.01 0.00 0.66 0.00 0.00 46.19 46.48 2c9i s LEU 122 CO 0.01 -0.29 -0.24 -0.83 -1.89 0.00 0.00 176.35 173.11 2c9i s GLY 123 N 2.09 1.33 0.20 7.98 0.00 0.43 0.05 107.32 119.40 2c9i s GLY 123 Ca 0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2c9i s GLY 123 CO -0.06 -0.53 0.16 -0.51 0.00 0.00 0.00 173.10 172.16 2c9i s THR 124 N 0.01 0.01 -2.09 0.90 -4.23 -0.68 -1.52 115.64 108.05 2c9i s THR 124 Ca -0.09 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2c9i s THR 124 Cb -0.15 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2c9i s THR 124 CO 0.05 -0.05 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 2c9i n ASN 125 N -0.26 -5.51 -4.72 3.99 4.13 -1.26 -1.68 115.26 109.95 2c9i n ASN 125 Ca 0.01 0.49 -0.42 0.00 1.68 0.00 0.00 54.58 56.34 2c9i n ASN 125 Cb 0.65 -4.77 -0.03 0.00 -1.54 0.00 0.00 39.78 34.09 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 -2.67 3.40 0.23 3.10 0.40 -1.26 -2.92 117.98 118.26 2c9i s PHE 126 Ca 0.00 1.25 -0.32 0.00 -0.60 0.00 0.00 56.93 57.27 2c9i s PHE 126 Cb 0.00 -3.48 -0.12 0.00 0.51 0.00 0.00 43.02 39.93 2c9i s PHE 126 CO 0.00 -1.49 1.60 -2.30 0.70 0.00 0.00 175.22 173.73 2c9i n PRO 127 N 3.66 2.51 -0.37 0.24 -0.02 -1.26 -4.90 135.00 134.86 2c9i n PRO 127 Ca 0.09 0.90 0.02 0.00 -2.02 0.00 0.00 63.50 62.49 2c9i n PRO 127 Cb 0.45 -2.68 0.17 0.00 -0.02 0.00 0.00 33.50 31.43 2c9i n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9i h ALA 128 N 5.52 1.40 -0.26 3.55 0.00 -1.98 -2.54 119.26 124.95 2c9i h ALA 128 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2c9i h ALA 128 Cb 1.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2c9i h ALA 128 CO 0.86 0.46 0.00 0.09 0.00 0.00 0.00 179.25 180.66 2c9i n ASN 129 N -4.49 3.29 -4.73 0.00 3.02 -1.26 -4.46 115.26 106.63 2c9i n ASN 129 Ca 0.15 -1.99 -0.29 0.00 -0.03 0.00 0.00 54.58 52.42 2c9i n ASN 129 Cb 0.17 -0.16 0.15 0.00 -0.61 0.00 0.00 39.78 39.33 2c9i n ASN 129 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2c9i s GLY 130 N -1.66 1.58 0.49 7.41 0.00 -0.96 -4.79 107.32 109.40 2c9i s GLY 130 Ca 0.35 -0.34 0.20 0.00 0.00 0.00 0.00 44.72 44.93 2c9i s GLY 130 CO 0.31 0.22 2.07 -0.56 0.00 0.00 0.00 173.10 175.14 2c9i h PRO 131 N -1.64 0.00 0.00 2.90 0.13 -1.93 -1.30 132.00 130.16 2c9i h PRO 131 Ca -0.52 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.58 0.12 -0.00 0.28 -0.23 0.00 0.00 178.00 178.75 2c9i h VAL 132 N 0.00 1.38 0.00 1.56 2.07 -1.92 0.18 116.25 119.52 2c9i h VAL 132 Ca -0.00 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2c9i h VAL 132 Cb 0.24 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2c9i h VAL 132 CO 0.02 0.29 -0.05 0.24 0.02 0.00 0.00 177.57 178.09 2c9i h MET 133 N -0.49 0.00 -0.34 1.57 2.86 -1.72 0.16 114.93 116.97 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 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2c9i h MET 133 CO 0.00 0.05 0.00 1.04 1.06 0.00 0.00 176.91 179.06 2c9i n GLN 134 N -3.12 2.25 -3.74 1.72 1.13 -0.50 -4.66 117.38 110.46 2c9i n GLN 134 Ca 0.03 -1.89 -0.26 0.00 -1.94 0.00 0.00 57.00 52.93 2c9i n GLN 134 Cb 0.48 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.39 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 1.10 -2.77 -1.51 -1.09 5.02 -0.77 -4.92 118.16 113.23 2c9i n LYS 135 Ca 0.18 0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 56.80 2c9i n LYS 135 Cb 0.51 -4.59 0.09 0.00 -0.02 0.00 0.00 35.03 31.02 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 -4.22 2.88 -4.20 1.97 4.76 0.56 -4.99 118.16 114.92 2c9i n LYS 136 Ca -0.20 -3.76 -0.27 0.00 -2.87 0.00 0.00 58.31 51.21 2c9i n LYS 136 Cb 0.64 -2.10 -0.08 0.00 -1.84 0.00 0.00 35.03 31.66 2c9i n LYS 136 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2c9i s THR 137 N -4.19 3.72 -0.18 -0.18 -4.23 -1.26 -0.53 115.64 108.79 2c9i s THR 137 Ca 0.50 -1.41 0.17 0.00 -1.18 0.00 0.00 61.69 59.77 2c9i s THR 137 Cb 0.42 -2.86 0.46 0.00 1.34 0.00 0.00 72.50 71.85 2c9i s THR 137 CO 0.01 -0.10 1.17 0.00 -0.54 0.00 0.00 174.62 175.16 2c9i n GLY 139 N -0.44 -0.91 3.88 0.00 0.00 -1.26 -4.76 105.19 101.70 2c9i n GLY 139 Ca 0.18 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.34 3.45 0.73 1.61 0.52 -1.26 -1.27 118.94 120.37 2c9i s TRP 140 Ca 0.00 0.87 -0.11 0.00 0.02 0.00 0.00 56.10 56.88 2c9i s TRP 140 Cb 0.00 -2.28 0.03 0.00 -1.15 0.00 0.00 33.47 30.07 2c9i s TRP 140 CO 0.00 0.12 1.07 -1.21 0.02 0.00 0.00 176.95 176.95 2c9i s GLU 141 N -3.37 2.67 0.74 4.98 0.41 -0.44 -4.86 118.70 118.84 2c9i s GLU 141 Ca 0.48 0.77 -0.13 0.00 -0.41 0.00 0.00 54.97 55.67 2c9i s GLU 141 Cb -0.11 -1.97 0.05 0.00 -1.78 0.00 0.00 34.13 30.32 2c9i s GLU 141 CO 0.27 -1.24 1.15 -1.25 -0.49 0.00 0.00 175.26 173.69 2c9i s PRO 142 N -5.13 2.18 0.22 0.39 0.04 -1.26 -4.75 135.00 126.68 2c9i s PRO 142 Ca 0.59 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2c9i s PRO 142 Cb -0.14 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2c9i s PRO 142 CO 0.54 -1.75 0.24 -1.54 0.04 0.00 0.00 177.00 174.53 2c9i s SER 143 N -2.53 0.09 -0.15 6.66 1.04 -0.88 -4.84 113.70 113.10 2c9i s SER 143 Ca 0.69 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2c9i s SER 143 Cb -0.23 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.35 2c9i s SER 143 CO 0.48 -0.93 -0.19 -0.89 0.98 0.00 0.00 173.24 172.69 2c9i s THR 144 N -4.11 1.87 -0.12 2.02 2.01 -1.26 -0.78 115.64 115.27 2c9i s THR 144 Ca 0.34 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 2c9i s THR 144 Cb 0.05 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2c9i s THR 144 CO 0.11 0.51 0.09 -0.70 -0.69 0.00 0.00 174.62 173.94 2c9i s GLU 145 N 1.10 3.41 -0.31 4.92 2.12 0.79 -4.61 118.70 126.12 2c9i s GLU 145 Ca -0.02 -0.24 -0.18 0.00 0.36 0.00 0.00 54.97 54.90 2c9i s GLU 145 Cb -0.14 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2c9i s GLU 145 CO -0.06 0.67 0.50 0.99 -0.54 0.00 0.00 175.26 176.82 2c9i s THR 146 N -0.75 5.05 -0.43 -1.70 2.01 0.48 -0.69 115.64 119.60 2c9i s THR 146 Ca 0.13 0.57 -0.20 0.00 0.31 0.00 0.00 61.69 62.50 2c9i s THR 146 Cb -0.12 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.53 2c9i s THR 146 CO 0.03 -0.07 0.58 -0.69 -0.69 0.00 0.00 174.62 173.77 2c9i s VAL 147 N 2.34 4.91 -0.18 3.82 1.01 -0.01 -1.77 120.40 130.53 2c9i s VAL 147 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2c9i s VAL 147 Cb -0.15 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2c9i s VAL 147 CO 0.11 -0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 173.95 2c9i s ILE 148 N 2.60 3.18 0.17 2.22 1.01 0.07 -2.21 121.20 128.23 2c9i s ILE 148 Ca 0.19 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 2c9i s ILE 148 Cb -0.15 -2.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.85 2c9i s ILE 148 CO 0.17 0.48 1.24 -2.16 0.00 0.00 0.00 174.94 174.67 2c9i s PRO 149 N 0.95 4.45 -0.24 2.79 0.04 -1.26 -0.02 135.00 141.71 2c9i s PRO 149 Ca -0.01 1.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 2c9i s PRO 149 Cb -0.15 -3.24 0.13 0.00 0.04 0.00 0.00 34.50 31.28 2c9i s PRO 149 CO -0.00 -0.18 0.37 0.50 0.04 0.00 0.00 177.00 177.74 2c9i s ARG 150 N 0.07 0.34 -0.43 4.56 3.52 -0.54 -4.86 118.95 121.61 2c9i s ARG 150 Ca 0.55 0.56 -0.20 0.00 -0.13 0.00 0.00 55.73 56.52 2c9i s ARG 150 Cb -0.33 -0.44 0.03 0.00 -1.56 0.00 0.00 34.95 32.64 2c9i s ARG 150 CO 0.35 -0.61 0.48 -0.40 -0.81 0.00 0.00 175.30 174.31 2c9i n ASP 151 N 5.36 -3.86 0.00 -2.12 5.75 -1.26 -2.35 116.55 118.07 2c9i n ASP 151 Ca -0.04 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 2c9i n ASP 151 Cb 0.50 -1.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 2c9i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c9i n GLY 152 N -0.54 3.00 0.00 6.12 0.00 -1.26 -4.91 105.19 107.60 2c9i n GLY 152 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 6.03 3.24 -0.02 0.00 -0.99 -4.71 105.19 106.73 2c9i n GLY 153 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 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 2.15 -0.17 0.99 1.02 -0.86 -1.47 118.68 120.34 2c9i s LEU 154 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.66 2c9i s LEU 154 Cb 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 46.19 45.27 2c9i s LEU 154 CO 0.00 0.16 -0.20 -0.22 0.02 0.00 0.00 176.35 176.11 2c9i s LEU 155 N -1.11 2.09 -0.14 1.79 2.96 0.98 -0.81 118.68 124.43 2c9i s LEU 155 Ca 0.07 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2c9i s LEU 155 Cb -0.09 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2c9i s LEU 155 CO 0.01 0.00 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.20 2c9i s LEU 156 N 1.26 2.95 -0.02 -0.68 1.02 0.48 -0.75 118.68 122.94 2c9i s LEU 156 Ca 0.04 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 54.01 2c9i s LEU 156 Cb -0.13 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 2c9i s LEU 156 CO -0.12 0.17 -0.20 -0.13 0.02 0.00 0.00 176.35 176.09 2c9i s ARG 157 N 0.36 1.69 0.04 1.70 0.52 -0.73 -1.00 118.95 121.53 2c9i s ARG 157 Ca -0.08 -0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 2c9i s ARG 157 Cb -0.15 -1.62 0.04 0.00 0.52 0.00 0.00 34.95 33.74 2c9i s ARG 157 CO 0.04 0.43 0.42 0.34 0.02 0.00 0.00 175.30 176.55 2c9i s ASP 158 N -0.44 -0.29 -0.58 0.23 2.15 -1.00 -0.38 116.67 116.37 2c9i s ASP 158 Ca 0.07 0.00 0.06 0.00 0.43 0.00 0.00 52.55 53.11 2c9i s ASP 158 Cb -0.08 0.43 0.25 0.00 -0.30 0.00 0.00 42.92 43.21 2c9i s ASP 158 CO -0.00 -0.67 0.68 1.07 -0.17 0.00 0.00 175.17 176.08 2c9i n THR 159 N 0.50 1.54 -2.24 1.71 5.66 -1.26 -0.74 114.28 119.44 2c9i n THR 159 Ca -0.18 -4.89 -0.36 0.00 -3.05 0.00 0.00 64.05 55.56 2c9i n THR 159 Cb 0.60 -2.06 -0.00 0.00 -1.55 0.00 0.00 70.33 67.31 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 -2.09 3.58 -0.15 1.09 0.04 -1.15 -4.80 135.00 131.51 2c9i s PRO 160 Ca 0.38 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 2c9i s PRO 160 Cb 0.15 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2c9i s PRO 160 CO -0.04 -0.69 -0.11 0.00 0.04 0.00 0.00 177.00 176.20 2c9i s ALA 161 N -1.62 2.68 -0.22 8.56 0.00 -1.26 -2.18 121.76 127.71 2c9i s ALA 161 Ca 0.67 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2c9i s ALA 161 Cb -0.27 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2c9i s ALA 161 CO 0.32 0.09 0.27 -1.17 0.00 0.00 0.00 175.76 175.27 2c9i s LEU 162 N 0.60 4.13 0.24 0.00 2.96 0.98 -1.32 118.68 126.28 2c9i s LEU 162 Ca -0.06 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 2c9i s LEU 162 Cb -0.15 -2.29 -0.09 0.00 0.50 0.00 0.00 46.19 44.16 2c9i s LEU 162 CO 0.03 -0.00 1.20 -0.04 -1.32 0.00 0.00 176.35 176.21 2c9i s MET 163 N 1.19 4.51 0.28 1.98 -1.94 -0.39 -0.47 119.30 124.46 2c9i s MET 163 Ca 0.13 1.93 0.09 0.00 -1.71 0.00 0.00 55.69 56.12 2c9i s MET 163 Cb -0.14 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 2c9i s MET 163 CO 0.06 -0.02 0.08 -0.51 -0.01 0.00 0.00 175.02 174.62 2c9i s LEU 164 N -0.88 3.35 0.37 -0.03 1.43 -0.42 0.21 118.68 122.70 2c9i s LEU 164 Ca 0.50 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2c9i s LEU 164 Cb -0.34 -1.87 0.71 0.00 0.03 0.00 0.00 46.19 44.72 2c9i s LEU 164 CO 0.41 -0.08 1.98 0.00 0.23 0.00 0.00 176.35 178.89 2c9i h ALA 165 N 1.71 1.54 0.00 4.21 0.00 -1.12 -2.22 119.26 123.39 2c9i h ALA 165 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2c9i h ALA 165 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2c9i h ALA 165 CO 0.61 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 2c9i n ASP 166 N -4.40 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 111.71 2c9i n ASP 166 Ca 0.03 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 2c9i n ASP 166 Cb 0.12 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.63 0.85 0.00 6.12 0.00 -0.83 -5.06 105.19 106.90 2c9i n GLY 167 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 0.21 3.11 -0.02 0.00 -1.26 -4.82 105.19 100.42 2c9i n GLY 168 Ca 0.00 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 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 0.11 1.01 -0.18 1.61 3.76 -1.26 -1.31 115.29 119.03 2c9i s HIS 169 Ca 0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2c9i s HIS 169 Cb 0.00 -0.59 0.02 0.00 1.11 0.00 0.00 32.58 33.12 2c9i s HIS 169 CO 0.00 0.01 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.53 2c9i s LEU 170 N -1.33 2.14 0.18 0.89 2.96 0.38 -4.94 118.68 118.96 2c9i s LEU 170 Ca -0.02 -0.66 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 2c9i s LEU 170 Cb -0.08 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2c9i s LEU 170 CO 0.01 -0.01 0.20 -0.44 -1.32 0.00 0.00 176.35 174.79 2c9i s SER 171 N 1.30 5.78 0.03 3.68 0.01 -1.26 -0.01 113.70 123.23 2c9i s SER 171 Ca 0.05 -0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 2c9i s SER 171 Cb -0.13 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2c9i s SER 171 CO -0.13 0.04 -0.03 0.00 0.41 0.00 0.00 173.24 173.53 2c9i s PHE 173 N -2.48 3.48 -0.12 0.00 2.99 -0.37 -2.95 117.98 118.52 2c9i s PHE 173 Ca -0.06 0.60 -0.01 0.00 0.00 0.00 0.00 56.93 57.46 2c9i s PHE 173 Cb -0.03 -2.32 -0.02 0.00 0.00 0.00 0.00 43.02 40.65 2c9i s PHE 173 CO -0.05 0.28 -0.08 -1.64 -0.00 0.00 0.00 175.22 173.73 2c9i s MET 174 N 0.34 3.33 -0.16 0.44 -1.94 0.08 -1.02 119.30 120.38 2c9i s MET 174 Ca 0.17 -0.58 -0.00 0.00 -1.71 0.00 0.00 55.69 53.56 2c9i s MET 174 Cb -0.13 -2.74 0.04 0.00 2.01 0.00 0.00 34.83 34.01 2c9i s MET 174 CO 0.04 0.35 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.13 2c9i s GLU 175 N 0.04 1.53 -0.09 2.03 2.02 -0.69 -2.36 118.70 121.17 2c9i s GLU 175 Ca -0.02 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.52 2c9i s GLU 175 Cb -0.14 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.15 2c9i s GLU 175 CO 0.03 -0.39 -0.18 0.99 0.02 0.00 0.00 175.26 175.74 2c9i s THR 176 N 1.63 1.61 -0.01 3.63 2.01 -0.18 -1.74 115.64 122.59 2c9i s THR 176 Ca 0.02 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 2c9i s THR 176 Cb -0.15 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2c9i s THR 176 CO -0.08 0.46 0.09 0.42 -0.69 0.00 0.00 174.62 174.82 2c9i s THR 177 N 0.62 4.79 -0.07 -0.82 -4.23 0.52 -0.38 115.64 116.06 2c9i s THR 177 Ca -0.14 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 2c9i s THR 177 Cb -0.16 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.51 2c9i s THR 177 CO 0.04 0.37 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.06 2c9i s TYR 178 N -1.19 1.43 -0.07 3.99 1.51 0.00 -1.50 117.35 121.53 2c9i s TYR 178 Ca 0.23 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2c9i s TYR 178 Cb -0.12 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 2c9i s TYR 178 CO 0.14 -0.30 -0.17 0.21 -1.11 0.00 0.00 175.55 174.31 2c9i s LYS 179 N 0.79 2.08 -0.02 -0.62 2.20 -0.60 -2.02 119.74 121.55 2c9i s LYS 179 Ca -0.12 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 54.79 2c9i s LYS 179 Cb -0.15 -1.69 -0.05 0.00 -1.51 0.00 0.00 37.83 34.43 2c9i s LYS 179 CO 0.02 0.14 0.29 0.45 -0.36 0.00 0.00 175.35 175.90 2c9i s SER 180 N 0.36 6.57 0.13 1.43 0.15 -1.26 -1.34 113.70 119.73 2c9i s SER 180 Ca -0.12 0.68 -0.14 0.00 0.70 0.00 0.00 55.95 57.06 2c9i s SER 180 Cb -0.15 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2c9i s SER 180 CO 0.05 0.30 1.56 0.11 1.20 0.00 0.00 173.24 176.46 2c9i h LYS 181 N 4.41 0.72 -6.17 5.44 6.56 -1.68 -3.45 116.57 122.40 2c9i h LYS 181 Ca -0.52 -0.24 -0.53 0.00 -1.06 0.00 0.00 60.65 58.30 2c9i h LYS 181 Cb 1.21 -0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 32.76 2c9i h LYS 181 CO 0.63 0.82 -0.52 0.15 -2.06 0.00 0.00 179.45 178.47 2c9i s LYS 182 N -4.95 3.06 0.15 3.15 -0.14 -1.26 -5.08 119.74 114.66 2c9i s LYS 182 Ca -0.13 -0.88 -0.31 0.00 -1.36 0.00 0.00 55.97 53.29 2c9i s LYS 182 Cb 0.10 -2.69 -0.09 0.00 -1.68 0.00 0.00 37.83 33.46 2c9i s LYS 182 CO 0.80 0.45 1.50 -1.83 -0.76 0.00 0.00 175.35 175.51 2c9i s GLU 183 N -3.50 4.26 0.03 1.68 1.03 -1.26 -5.01 118.70 115.93 2c9i s GLU 183 Ca 0.32 2.26 0.04 0.00 0.03 0.00 0.00 54.97 57.62 2c9i s GLU 183 Cb -0.09 -3.18 -0.02 0.00 -0.80 0.00 0.00 34.13 30.03 2c9i s GLU 183 CO 0.25 -0.54 -0.11 0.08 -1.33 0.00 0.00 175.26 173.62 2c9i s VAL 184 N 1.07 0.85 -0.24 1.83 1.01 -1.26 -5.08 120.40 118.57 2c9i s VAL 184 Ca 0.68 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2c9i s VAL 184 Cb -0.41 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2c9i s VAL 184 CO 0.31 -0.08 1.47 -0.75 0.00 0.00 0.00 175.10 176.06 2c9i s LYS 185 N -1.09 3.88 0.26 2.72 2.36 -1.26 -4.99 119.74 121.62 2c9i s LYS 185 Ca -0.01 1.51 -0.29 0.00 -2.55 0.00 0.00 55.97 54.62 2c9i s LYS 185 Cb -0.07 -3.96 -0.09 0.00 -1.05 0.00 0.00 37.83 32.66 2c9i s LYS 185 CO 0.01 -1.18 1.00 -0.51 1.55 0.00 0.00 175.35 176.21 2c9i s LEU 186 N 4.74 4.59 0.74 5.43 1.02 -1.26 -4.71 118.68 129.22 2c9i s LEU 186 Ca 0.64 2.05 -0.10 0.00 0.02 0.00 0.00 54.13 56.74 2c9i s LEU 186 Cb -0.22 -3.65 0.05 0.00 0.02 0.00 0.00 46.19 42.39 2c9i s LEU 186 CO 0.26 0.03 1.10 -2.16 0.02 0.00 0.00 176.35 175.60 2c9i s PRO 187 N -1.35 2.40 0.79 1.29 0.04 -1.26 -4.90 135.00 132.01 2c9i s PRO 187 Ca 0.43 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 2c9i s PRO 187 Cb -0.27 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.29 2c9i s PRO 187 CO 0.34 -1.26 1.14 -1.21 0.04 0.00 0.00 177.00 176.06 2c9i s GLU 188 N -5.39 2.17 0.17 4.56 0.41 -1.26 -4.54 118.70 114.82 2c9i s GLU 188 Ca 0.60 0.27 -0.33 0.00 -0.41 0.00 0.00 54.97 55.10 2c9i s GLU 188 Cb -0.11 -1.96 -0.12 0.00 -1.78 0.00 0.00 34.13 30.16 2c9i s GLU 188 CO 0.49 -1.48 1.70 -0.11 -0.49 0.00 0.00 175.26 175.37 2c9i n LEU 189 N -3.27 3.70 0.00 1.80 0.00 -1.26 -4.82 117.00 113.15 2c9i n LEU 189 Ca 0.07 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.14 2c9i n LEU 189 Cb 0.59 -1.52 0.00 0.00 0.00 0.00 0.00 43.42 42.50 2c9i n LEU 189 CO 0.57 0.02 0.00 0.00 0.00 0.00 0.00 177.39 177.98 2c9i n HIS 190 N 4.15 -0.31 -4.22 1.96 1.44 -0.94 -4.94 115.22 112.37 2c9i n HIS 190 Ca 0.17 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.69 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 -4.20 1.20 -0.21 -1.40 0.08 0.30 -0.83 117.98 112.93 2c9i s PHE 191 Ca 0.00 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.57 2c9i s PHE 191 Cb 0.00 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 2c9i s PHE 191 CO 0.00 0.05 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.15 2c9i s HIS 192 N -1.15 3.01 -0.36 0.36 3.76 0.13 -1.03 115.29 120.00 2c9i s HIS 192 Ca -0.01 -0.60 -0.13 0.00 -0.15 0.00 0.00 55.06 54.18 2c9i s HIS 192 Cb -0.09 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.50 2c9i s HIS 192 CO 0.02 -0.34 0.23 -1.01 -0.85 0.00 0.00 174.74 172.80 2c9i s HIS 193 N 1.16 3.22 0.14 1.40 3.76 0.48 -0.15 115.29 125.31 2c9i s HIS 193 Ca 0.03 -0.47 0.08 0.00 -0.15 0.00 0.00 55.06 54.54 2c9i s HIS 193 Cb -0.14 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 2c9i s HIS 193 CO 0.01 -0.47 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.80 2c9i s LEU 194 N 1.67 2.95 -0.19 0.89 2.01 0.04 -1.41 118.68 124.64 2c9i s LEU 194 Ca 0.05 -0.49 -0.04 0.00 0.01 0.00 0.00 54.13 53.66 2c9i s LEU 194 Cb -0.18 -1.71 0.09 0.00 0.01 0.00 0.00 46.19 44.40 2c9i s LEU 194 CO 0.09 0.15 0.25 -0.60 1.01 0.00 0.00 176.35 177.25 2c9i s ARG 195 N -2.43 0.20 -0.19 1.70 3.52 -0.68 -2.07 118.95 119.00 2c9i s ARG 195 Ca 0.22 0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 56.18 2c9i s ARG 195 Cb -0.10 -0.86 0.01 0.00 -1.56 0.00 0.00 34.95 32.44 2c9i s ARG 195 CO 0.14 -0.57 -0.15 1.41 -0.81 0.00 0.00 175.30 175.32 2c9i s MET 196 N 2.37 3.13 0.02 5.12 -2.45 -1.26 -1.74 119.30 124.49 2c9i s MET 196 Ca 0.06 -0.76 0.04 0.00 -1.25 0.00 0.00 55.69 53.78 2c9i s MET 196 Cb -0.15 -2.71 -0.02 0.00 1.25 0.00 0.00 34.83 33.21 2c9i s MET 196 CO -0.12 -0.18 -0.12 -1.21 1.05 0.00 0.00 175.02 174.45 2c9i s GLU 197 N 1.29 0.84 -0.28 4.11 2.02 0.10 -4.50 118.70 122.28 2c9i s GLU 197 Ca 0.04 -0.57 -0.25 0.00 0.02 0.00 0.00 54.97 54.20 2c9i s GLU 197 Cb -0.14 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.28 2c9i s GLU 197 CO -0.08 0.21 0.88 0.15 0.02 0.00 0.00 175.26 176.43 2c9i s LYS 198 N -0.76 4.09 -0.13 1.61 1.02 -1.26 -0.74 119.74 123.57 2c9i s LYS 198 Ca 0.02 0.88 -0.10 0.00 0.02 0.00 0.00 55.97 56.78 2c9i s LYS 198 Cb -0.06 -3.69 -0.08 0.00 -0.52 0.00 0.00 37.83 33.47 2c9i s LYS 198 CO 0.00 -0.66 0.13 -0.07 -0.92 0.00 0.00 175.35 173.84 2c9i h LEU 199 N 9.47 0.00 -8.40 3.17 3.38 -0.76 -3.48 115.31 118.69 2c9i h LEU 199 Ca -0.23 -0.26 -0.45 0.00 0.09 0.00 0.00 57.88 57.03 2c9i h LEU 199 Cb 1.08 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.60 2c9i h LEU 199 CO 0.92 0.78 -0.80 0.20 0.09 0.00 0.00 178.44 179.63 2c9i s ASN 200 N -5.88 1.80 -0.08 -0.43 0.01 -1.22 -4.97 114.94 104.18 2c9i s ASN 200 Ca -0.11 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.52 2c9i s ASN 200 Cb 0.01 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.59 2c9i s ASN 200 CO 0.26 0.01 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.18 2c9i s ILE 201 N -1.00 0.76 0.69 0.60 1.01 -1.26 -0.87 121.20 121.13 2c9i s ILE 201 Ca 0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 2c9i s ILE 201 Cb -0.09 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.60 2c9i s ILE 201 CO 0.02 0.30 1.07 -0.94 0.00 0.00 0.00 174.94 175.40 2c9i s SER 202 N 1.42 5.18 0.36 3.58 1.04 -0.19 -4.96 113.70 120.13 2c9i s SER 202 Ca -0.02 1.76 0.09 0.00 0.48 0.00 0.00 55.95 58.26 2c9i s SER 202 Cb -0.13 -2.52 0.70 0.00 0.10 0.00 0.00 66.02 64.16 2c9i s SER 202 CO -0.04 -1.58 1.85 0.44 0.98 0.00 0.00 173.24 174.90 2c9i h ASP 203 N -0.50 0.21 0.14 7.02 5.19 -2.01 -1.63 116.42 124.83 2c9i h ASP 203 Ca -0.45 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2c9i h ASP 203 Cb 1.22 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2c9i h ASP 203 CO 0.55 0.44 -0.02 -0.90 -3.12 0.00 0.00 179.24 176.20 2c9i n ASP 204 N -4.20 0.28 -0.32 6.45 3.85 -1.26 -4.91 116.55 116.44 2c9i n ASP 204 Ca -0.01 -0.87 -0.04 0.00 -0.71 0.00 0.00 54.79 53.16 2c9i n ASP 204 Cb 0.33 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 40.03 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 -0.88 0.00 0.01 2.11 8.01 -0.61 -4.68 117.44 121.41 2c9i n TRP 205 Ca 0.20 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.35 2c9i n TRP 205 Cb 0.19 -1.91 -0.11 0.00 -2.01 0.00 0.00 31.31 27.47 2c9i n TRP 205 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 2c9i h LYS 206 N 0.16 0.00 -5.90 -0.99 6.56 -1.88 -3.45 116.57 111.06 2c9i h LYS 206 Ca -0.09 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.82 2c9i h LYS 206 Cb 0.87 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 32.23 2c9i h LYS 206 CO 0.13 0.43 -0.84 0.99 -2.06 0.00 0.00 179.45 178.09 2c9i s THR 207 N -2.77 2.43 -0.09 -0.16 2.01 -1.26 -0.07 115.64 115.73 2c9i s THR 207 Ca -0.03 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2c9i s THR 207 Cb 0.08 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.70 2c9i s THR 207 CO 0.82 0.57 0.23 0.54 -0.69 0.00 0.00 174.62 176.08 2c9i s VAL 208 N -0.15 -0.02 -0.18 3.82 0.11 -0.00 -1.03 120.40 122.95 2c9i s VAL 208 Ca -0.03 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 2c9i s VAL 208 Cb -0.14 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2c9i s VAL 208 CO 0.04 0.04 0.16 -0.70 -3.33 0.00 0.00 175.10 171.31 2c9i s GLU 209 N 0.80 4.14 -0.06 1.54 2.12 -0.05 -0.83 118.70 126.37 2c9i s GLU 209 Ca -0.06 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2c9i s GLU 209 Cb -0.07 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.93 2c9i s GLU 209 CO -0.05 0.33 -0.11 -1.14 -0.54 0.00 0.00 175.26 173.75 2c9i s GLN 210 N 0.26 1.60 0.12 4.30 0.74 -0.43 0.04 119.66 126.29 2c9i s GLN 210 Ca 0.10 -0.38 0.09 0.00 0.05 0.00 0.00 55.36 55.23 2c9i s GLN 210 Cb -0.11 -1.34 -0.04 0.00 1.10 0.00 0.00 33.01 32.62 2c9i s GLN 210 CO -0.00 0.02 -0.20 -1.58 -0.55 0.00 0.00 175.29 172.98 2c9i s HIS 211 N 0.68 2.49 -0.08 1.67 5.65 0.09 -0.72 115.29 125.06 2c9i s HIS 211 Ca -0.14 -0.29 -0.07 0.00 0.25 0.00 0.00 55.06 54.82 2c9i s HIS 211 Cb -0.16 -1.32 0.03 0.00 -1.18 0.00 0.00 32.58 29.95 2c9i s HIS 211 CO 0.03 0.38 0.21 -2.00 -0.65 0.00 0.00 174.74 172.71 2c9i s GLU 212 N -2.15 0.22 -0.05 2.88 2.12 -0.68 -0.72 118.70 120.32 2c9i s GLU 212 Ca 0.17 0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.89 2c9i s GLU 212 Cb -0.10 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 2c9i s GLU 212 CO 0.09 -0.06 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.43 2c9i s SER 213 N 0.39 2.57 -0.04 -1.70 0.01 -0.71 -1.53 113.70 112.68 2c9i s SER 213 Ca -0.02 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2c9i s SER 213 Cb -0.04 -0.73 0.01 0.00 0.21 0.00 0.00 66.02 65.47 2c9i s SER 213 CO -0.02 0.19 -0.09 -0.69 0.41 0.00 0.00 173.24 173.04 2c9i s VAL 214 N -0.03 0.86 -0.17 3.43 1.01 0.53 -1.68 120.40 124.36 2c9i s VAL 214 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2c9i s VAL 214 Cb -0.13 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2c9i s VAL 214 CO 0.03 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.60 2c9i s VAL 215 N 0.51 1.55 0.02 2.92 1.01 -0.50 -1.62 120.40 124.29 2c9i s VAL 215 Ca -0.09 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 2c9i s VAL 215 Cb -0.12 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 2c9i s VAL 215 CO 0.02 0.32 0.53 0.00 0.00 0.00 0.00 175.10 175.97 2c9i s ALA 216 N 1.47 3.58 -0.03 5.51 0.00 0.23 -0.38 121.76 132.13 2c9i s ALA 216 Ca 0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 2c9i s ALA 216 Cb -0.14 -2.61 0.10 0.00 0.00 0.00 0.00 23.12 20.47 2c9i s ALA 216 CO -0.09 0.32 0.84 0.45 0.00 0.00 0.00 175.76 177.28 2c9i s SER 217 N -0.71 -0.45 1.06 0.00 0.15 -0.20 -4.33 113.70 109.22 2c9i s SER 217 Ca 0.28 0.24 -0.16 0.00 0.70 0.00 0.00 55.95 57.01 2c9i s SER 217 Cb -0.18 0.42 0.22 0.00 -1.71 0.00 0.00 66.02 64.77 2c9i s SER 217 CO 0.16 -0.59 1.17 -0.31 1.20 0.00 0.00 173.24 174.87 2c9i s TYR 218 N -2.31 1.39 0.40 3.44 4.12 -1.26 -0.54 117.35 122.60 2c9i s TYR 218 Ca -0.00 0.58 -0.26 0.00 0.02 0.00 0.00 57.07 57.41 2c9i s TYR 218 Cb -0.01 -3.58 -0.09 0.00 -1.52 0.00 0.00 41.96 36.77 2c9i s TYR 218 CO -0.03 -3.13 1.27 0.45 0.02 0.00 0.00 175.55 174.13 2c9i s SER 219 N -4.12 6.36 0.25 2.29 0.15 -1.26 -4.85 113.70 112.52 2c9i s SER 219 Ca 0.69 2.59 0.14 0.00 0.70 0.00 0.00 55.95 60.07 2c9i s SER 219 Cb -0.10 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2c9i s SER 219 CO 0.55 -0.81 1.43 0.06 1.20 0.00 0.00 173.24 175.67 2c9i h GLN 220 N 2.68 0.00 -6.36 5.44 3.07 -1.99 -3.46 115.11 114.49 2c9i h GLN 220 Ca -0.49 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 57.70 2c9i h GLN 220 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 2c9i h GLN 220 CO 0.63 0.59 0.68 0.54 0.09 0.00 0.00 178.83 181.36 2c9i s VAL 221 N -2.95 4.13 0.71 1.86 0.11 -1.26 -5.00 120.40 118.01 2c9i s VAL 221 Ca 0.03 1.49 -0.16 0.00 -2.93 0.00 0.00 61.98 60.41 2c9i s VAL 221 Cb 0.08 -3.96 0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2c9i s VAL 221 CO 0.76 0.03 1.06 -0.81 -3.33 0.00 0.00 175.10 172.80 2c9i n PRO 222 N 4.90 0.61 -4.67 1.54 -0.04 -1.26 -5.03 135.00 131.05 2c9i n PRO 222 Ca 0.11 0.27 -0.33 0.00 -0.04 0.00 0.00 63.50 63.51 2c9i n PRO 222 Cb 0.46 -2.30 -0.12 0.00 -0.04 0.00 0.00 33.50 31.50 2c9i n PRO 222 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2c9i s SER 223 N -1.62 4.35 0.21 3.54 0.15 -1.26 -5.01 113.70 114.06 2c9i s SER 223 Ca 0.75 -0.15 0.20 0.00 0.70 0.00 0.00 55.95 57.45 2c9i s SER 223 Cb -0.35 -0.98 0.02 0.00 -1.71 0.00 0.00 66.02 63.00 2c9i s SER 223 CO 0.48 0.32 1.11 0.11 1.20 0.00 0.00 173.24 176.47 2c9i h LYS 224 N 5.01 0.00 -0.01 5.44 1.79 -1.96 -3.36 116.57 123.49 2c9i h LYS 224 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2c9i h LYS 224 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2c9i h LYS 224 CO 0.52 0.13 -0.61 1.28 -1.08 0.00 0.00 179.45 179.68 2c9i n LEU 225 N -2.85 1.69 0.00 2.94 4.32 -1.26 -4.98 117.00 116.85 2c9i n LEU 225 Ca -0.02 -0.68 0.00 0.00 -0.02 0.00 0.00 56.01 55.29 2c9i n LEU 225 Cb 0.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 2c9i n LEU 225 CO 0.40 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 2c9i n GLY 226 N 1.42 0.56 3.81 -0.72 0.00 -1.26 -5.06 105.19 103.95 2c9i n GLY 226 Ca 0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 3.20 -2.00 1.61 3.76 -1.26 -5.06 115.29 113.53 2c9i s HIS 227 Ca 0.00 1.59 0.19 0.00 -0.15 0.00 0.00 55.06 56.69 2c9i s HIS 227 Cb 0.00 -2.93 1.13 0.00 1.11 0.00 0.00 32.58 31.89 2c9i s HIS 227 CO 0.00 -0.41 1.52 0.09 -0.85 0.00 0.00 174.74 175.09