#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9y s GLU 18 N 0.00 1.51 0.41 -2.82 0.41 -1.26 -4.98 118.70 111.97 2i9y s GLU 18 Ca 0.00 0.80 -0.25 0.00 -0.41 0.00 0.00 54.97 55.11 2i9y s GLU 18 Cb 0.00 -1.84 -0.08 0.00 -1.78 0.00 0.00 34.13 30.43 2i9y s GLU 18 CO 0.00 -2.06 1.17 0.00 -0.49 0.00 0.00 175.26 173.88 2i9y s ALA 19 N -2.98 3.12 0.38 5.21 0.00 -1.26 -4.93 121.76 121.30 2i9y s ALA 19 Ca 0.63 0.95 0.18 0.00 0.00 0.00 0.00 51.96 53.72 2i9y s ALA 19 Cb -0.17 -3.38 1.01 0.00 0.00 0.00 0.00 23.12 20.59 2i9y s ALA 19 CO 0.56 -0.54 1.93 0.77 0.00 0.00 0.00 175.76 178.48 2i9y h SER 20 N 2.53 0.00 0.10 0.00 0.02 -1.99 -2.97 113.55 111.23 2i9y h SER 20 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2i9y h SER 20 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2i9y h SER 20 CO 0.62 0.25 0.00 -1.20 -1.14 0.00 0.00 176.83 175.36 2i9y n SER 21 N -3.95 0.00 -1.22 3.07 7.64 -1.26 -3.76 113.62 114.14 2i9y n SER 21 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2i9y n SER 21 Cb 0.32 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2i9y n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2i9y n LEU 22 N -1.20 1.89 -4.70 -3.43 4.77 -1.13 -4.83 117.00 108.38 2i9y n LEU 22 Ca 0.04 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.70 2i9y n LEU 22 Cb 0.05 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 2i9y n LEU 22 CO 0.05 0.33 0.94 -0.69 -1.33 0.00 0.00 177.39 176.70 2i9y s VAL 23 N 0.63 4.04 -0.22 4.08 1.01 -1.25 -1.37 120.40 127.33 2i9y s VAL 23 Ca 0.00 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 2i9y s VAL 23 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2i9y s VAL 23 CO 0.00 0.06 -0.11 -0.83 0.00 0.00 0.00 175.10 174.22 2i9y s GLY 24 N 1.31 1.54 -0.03 4.51 0.00 0.12 -4.93 107.32 109.83 2i9y s GLY 24 Ca 0.59 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2i9y s GLY 24 CO 0.27 0.42 -0.10 1.25 0.00 0.00 0.00 173.10 174.93 2i9y s LYS 25 N 1.34 1.10 -0.02 2.90 2.20 -1.26 0.21 119.74 126.20 2i9y s LYS 25 Ca 0.03 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 2i9y s LYS 25 Cb -0.15 -1.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.17 2i9y s LYS 25 CO -0.07 0.13 0.09 -1.17 -0.36 0.00 0.00 175.35 173.96 2i9y s LEU 26 N 0.20 1.71 -0.08 5.43 0.20 0.73 -4.99 118.68 121.87 2i9y s LEU 26 Ca -0.04 0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.80 2i9y s LEU 26 Cb -0.09 0.36 0.02 0.00 -0.43 0.00 0.00 46.19 46.05 2i9y s LEU 26 CO 0.01 -0.14 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.16 2i9y s GLU 27 N -0.45 1.34 -0.01 1.98 -6.30 -1.26 0.19 118.70 114.20 2i9y s GLU 27 Ca -0.05 -0.22 0.01 0.00 -2.50 0.00 0.00 54.97 52.21 2i9y s GLU 27 Cb -0.03 -1.34 0.01 0.00 0.00 0.00 0.00 34.13 32.76 2i9y s GLU 27 CO 0.00 -0.17 -0.03 -0.08 0.02 0.00 0.00 175.26 175.00 2i9y s THR 28 N 1.36 0.31 -0.29 -1.70 -1.32 -0.82 -4.98 115.64 108.20 2i9y s THR 28 Ca -0.02 -0.12 -0.10 0.00 -1.21 0.00 0.00 61.69 60.24 2i9y s THR 28 Cb -0.14 -0.30 -0.02 0.00 -1.51 0.00 0.00 72.50 70.53 2i9y s THR 28 CO -0.04 0.11 0.15 1.51 -2.21 0.00 0.00 174.62 174.15 2i9y s ASP 29 N 0.21 5.63 -0.00 8.08 -4.77 -1.26 -0.70 116.67 123.85 2i9y s ASP 29 Ca -0.02 -0.33 0.02 0.00 -3.30 0.00 0.00 52.55 48.92 2i9y s ASP 29 Cb -0.05 -2.03 -0.04 0.00 -1.09 0.00 0.00 42.92 39.72 2i9y s ASP 29 CO -0.00 -0.13 -0.01 -0.69 0.70 0.00 0.00 175.17 175.03 2i9y s VAL 30 N 1.66 4.05 -0.16 2.11 1.01 -0.20 -4.94 120.40 123.92 2i9y s VAL 30 Ca 0.06 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2i9y s VAL 30 Cb -0.16 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 2i9y s VAL 30 CO 0.07 0.38 0.14 -1.61 0.00 0.00 0.00 175.10 174.09 2i9y s GLU 31 N -1.52 3.88 0.28 2.72 2.02 -1.26 0.23 118.70 125.05 2i9y s GLU 31 Ca 0.19 -0.17 0.07 0.00 0.02 0.00 0.00 54.97 55.08 2i9y s GLU 31 Cb -0.11 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2i9y s GLU 31 CO 0.10 0.50 0.24 0.96 0.02 0.00 0.00 175.26 177.08 2i9y s ILE 32 N -0.22 4.22 -0.15 -1.63 -4.36 0.11 -4.93 121.20 114.23 2i9y s ILE 32 Ca 0.11 -1.35 0.18 0.00 -0.26 0.00 0.00 60.65 59.33 2i9y s ILE 32 Cb -0.12 -3.37 -0.27 0.00 1.25 0.00 0.00 42.46 39.96 2i9y s ILE 32 CO 0.01 -0.29 0.45 0.29 0.24 0.00 0.00 174.94 175.64 2i9y n LYS 33 N -1.27 0.65 -1.70 0.37 5.02 -1.26 -1.83 118.16 118.14 2i9y n LYS 33 Ca -0.06 -0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 55.80 2i9y n LYS 33 Cb 0.58 -1.41 0.10 0.00 -0.02 0.00 0.00 35.03 34.28 2i9y n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9y s ALA 34 N -3.16 2.30 -0.05 7.82 0.00 -1.26 -4.12 121.76 123.29 2i9y s ALA 34 Ca -0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 2i9y s ALA 34 Cb 0.12 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2i9y s ALA 34 CO 0.75 -1.82 0.34 -1.12 0.00 0.00 0.00 175.76 173.91 2i9y s SER 35 N -4.21 6.67 0.45 0.00 0.01 -1.26 -3.13 113.70 112.23 2i9y s SER 35 Ca 0.62 0.80 0.18 0.00 1.31 0.00 0.00 55.95 58.86 2i9y s SER 35 Cb -0.13 -2.20 1.15 0.00 0.21 0.00 0.00 66.02 65.04 2i9y s SER 35 CO 0.52 0.31 1.94 0.00 0.41 0.00 0.00 173.24 176.41 2i9y h ALA 36 N 5.07 2.22 0.00 1.44 0.00 -1.93 -0.45 119.26 125.61 2i9y h ALA 36 Ca -0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2i9y h ALA 36 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2i9y h ALA 36 CO 0.63 -0.42 -0.01 0.22 0.00 0.00 0.00 179.25 179.67 2i9y h ASP 37 N 0.30 0.00 0.42 0.00 3.58 -1.95 -0.71 116.42 118.06 2i9y h ASP 37 Ca 0.34 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.70 2i9y h ASP 37 Cb 0.91 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2i9y h ASP 37 CO -0.09 0.01 -0.43 0.11 -2.88 0.00 0.00 179.24 175.96 2i9y h LYS 38 N 0.00 0.02 -0.39 0.28 1.57 -1.48 -0.77 116.57 115.80 2i9y h LYS 38 Ca -0.00 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2i9y h LYS 38 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2i9y h LYS 38 CO 0.00 0.45 -0.29 0.35 -0.57 0.00 0.00 179.45 179.39 2i9y h PHE 39 N 0.02 1.04 -0.22 -1.35 3.04 -1.24 -2.43 116.94 115.79 2i9y h PHE 39 Ca -0.00 -0.29 0.06 0.00 3.98 0.00 0.00 57.97 61.72 2i9y h PHE 39 Cb 0.78 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2i9y h PHE 39 CO 0.00 1.09 0.17 1.25 -2.02 0.00 0.00 178.31 178.80 2i9y h HIS 40 N 0.69 0.00 0.00 0.41 2.76 -0.56 -1.55 115.15 116.90 2i9y h HIS 40 Ca 0.07 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.07 2i9y h HIS 40 Cb 0.87 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 2i9y h HIS 40 CO 0.06 0.00 -0.84 0.45 -1.30 0.00 0.00 177.93 176.30 2i9y h HIS 41 N 0.00 0.00 -0.24 5.26 3.86 -0.68 -3.40 115.15 119.95 2i9y h HIS 41 Ca 0.11 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 2i9y h HIS 41 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2i9y h HIS 41 CO 0.00 0.84 0.35 0.52 0.86 0.00 0.00 177.93 180.50 2i9y h MET 42 N 0.00 0.00 0.00 2.45 2.07 -1.05 -1.14 114.93 117.26 2i9y h MET 42 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2i9y h MET 42 Cb 1.55 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.28 2i9y h MET 42 CO 0.11 0.00 -1.67 0.34 1.07 0.00 0.00 176.91 176.75 2i9y n PHE 43 N -3.50 0.11 -2.10 -0.22 7.35 -1.26 -4.85 117.46 112.99 2i9y n PHE 43 Ca 0.03 0.03 -0.41 0.00 -0.76 0.00 0.00 57.45 56.34 2i9y n PHE 43 Cb 0.48 -0.46 -0.03 0.00 0.35 0.00 0.00 39.48 39.82 2i9y n PHE 43 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2i9y s ALA 44 N -3.40 2.65 -1.09 3.13 0.00 -0.43 -4.87 121.76 117.75 2i9y s ALA 44 Ca -0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 2i9y s ALA 44 Cb 0.14 -4.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.08 2i9y s ALA 44 CO 0.88 -3.06 2.10 0.41 0.00 0.00 0.00 175.76 176.10 2i9y n GLY 45 N 5.45 3.43 3.89 0.00 0.00 -1.26 -4.91 105.19 111.78 2i9y n GLY 45 Ca 0.20 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 2i9y n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9y s LYS 46 N 4.06 3.73 -0.29 1.61 -0.14 -1.26 -5.00 119.74 122.45 2i9y s LYS 46 Ca 0.53 0.14 -0.37 0.00 -1.36 0.00 0.00 55.97 54.90 2i9y s LYS 46 Cb 0.14 -2.69 -0.13 0.00 -1.68 0.00 0.00 37.83 33.47 2i9y s LYS 46 CO 0.02 0.33 1.97 -2.30 -0.76 0.00 0.00 175.35 174.61 2i9y n PRO 47 N -0.25 1.21 -2.43 -1.68 -0.02 -1.26 -4.87 135.00 125.70 2i9y n PRO 47 Ca -0.01 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 2i9y n PRO 47 Cb 0.53 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2i9y n PRO 47 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2i9y s HIS 48 N 5.35 2.31 1.16 6.00 3.76 -1.26 -4.98 115.29 127.63 2i9y s HIS 48 Ca 1.03 0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 56.16 2i9y s HIS 48 Cb -0.95 -4.44 0.18 0.00 1.11 0.00 0.00 32.58 28.48 2i9y s HIS 48 CO 0.57 -1.95 0.32 -2.39 -0.85 0.00 0.00 174.74 170.45 2i9y n HIS 49 N 9.51 -1.53 -1.47 1.40 1.44 -1.26 -4.54 115.22 118.77 2i9y n HIS 49 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2i9y n HIS 49 Cb 0.49 -1.58 0.00 0.00 0.12 0.00 0.00 29.99 29.03 2i9y n HIS 49 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2i9y n VAL 50 N -4.68 -2.23 -4.26 0.61 0.31 -1.26 -5.00 118.33 101.81 2i9y n VAL 50 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2i9y n VAL 50 Cb 0.59 -3.78 -0.10 0.00 -0.91 0.00 0.00 33.84 29.64 2i9y n VAL 50 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2i9y s SER 51 N 0.00 1.91 0.04 4.52 0.15 -1.26 -4.71 113.70 114.35 2i9y s SER 51 Ca 0.00 -0.99 0.02 0.00 0.70 0.00 0.00 55.95 55.68 2i9y s SER 51 Cb 0.00 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2i9y s SER 51 CO 0.00 -0.29 -0.08 -0.75 1.20 0.00 0.00 173.24 173.32 2i9y s LYS 52 N -3.63 0.54 -0.65 5.44 2.20 -1.26 -4.97 119.74 117.41 2i9y s LYS 52 Ca 0.17 -0.76 -0.26 0.00 -0.36 0.00 0.00 55.97 54.76 2i9y s LYS 52 Cb 0.01 -0.32 -0.09 0.00 -1.51 0.00 0.00 37.83 35.93 2i9y s LYS 52 CO 0.02 0.06 2.30 0.00 -0.36 0.00 0.00 175.35 177.36 2i9y s ALA 53 N -1.36 1.36 0.12 3.13 0.00 -1.26 -4.70 121.76 119.05 2i9y s ALA 53 Ca -0.09 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 2i9y s ALA 53 Cb -0.10 -4.45 0.08 0.00 0.00 0.00 0.00 23.12 18.66 2i9y s ALA 53 CO 0.00 -4.96 1.08 -1.54 0.00 0.00 0.00 175.76 170.35 2i9y s SER 54 N 10.84 -0.05 -0.19 0.00 1.04 -1.26 -5.10 113.70 118.97 2i9y s SER 54 Ca 0.89 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.56 2i9y s SER 54 Cb -0.14 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.32 2i9y s SER 54 CO 0.16 -0.79 2.18 -2.65 0.98 0.00 0.00 173.24 173.12 2i9y n PRO 55 N -0.63 2.01 0.00 4.02 -0.02 -1.26 -3.58 135.00 135.54 2i9y n PRO 55 Ca -0.04 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2i9y n PRO 55 Cb 0.60 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 2i9y n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i9y n GLY 56 N 5.62 0.59 3.75 -1.23 0.00 -1.26 -4.98 105.19 107.69 2i9y n GLY 56 Ca 0.29 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2i9y n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i9y s ASN 57 N -0.78 7.38 0.00 1.61 -0.87 -1.24 -3.55 114.94 117.50 2i9y s ASN 57 Ca 0.00 2.14 0.00 0.00 -1.57 0.00 0.00 52.86 53.43 2i9y s ASN 57 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 2i9y s ASN 57 CO 0.00 -0.06 0.00 -0.38 -2.57 0.00 0.00 177.10 174.09 2i9y n ILE 58 N 1.46 0.00 -3.16 0.60 2.08 -1.26 -4.66 119.36 114.41 2i9y n ILE 58 Ca -0.01 0.00 -0.45 0.00 0.56 0.00 0.00 62.75 62.85 2i9y n ILE 58 Cb 0.46 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.32 2i9y n ILE 58 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2i9y s GLN 59 N 0.00 3.42 0.00 0.38 -0.21 -1.26 -4.50 119.66 117.49 2i9y s GLN 59 Ca 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 55.36 53.45 2i9y s GLN 59 Cb 0.00 -4.51 0.00 0.00 1.00 0.00 0.00 33.01 29.50 2i9y s GLN 59 CO 0.00 -1.49 0.20 0.41 -2.12 0.00 0.00 175.29 172.29 2i9y n GLY 60 N 4.80 -0.11 3.64 3.09 0.00 -1.23 -4.59 105.19 110.79 2i9y n GLY 60 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2i9y n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9y s ASP 62 N 0.71 -0.18 -0.30 0.00 1.47 -1.26 -5.11 116.67 112.00 2i9y s ASP 62 Ca -0.02 0.35 -0.09 0.00 1.18 0.00 0.00 52.55 53.97 2i9y s ASP 62 Cb -0.04 0.33 0.14 0.00 -0.34 0.00 0.00 42.92 43.00 2i9y s ASP 62 CO -0.11 -0.08 0.65 -0.22 0.68 0.00 0.00 175.17 176.09 2i9y s LEU 63 N 0.37 -1.16 -0.02 2.11 0.20 -1.26 -5.03 118.68 113.89 2i9y s LEU 63 Ca -0.02 1.48 0.13 0.00 0.69 0.00 0.00 54.13 56.41 2i9y s LEU 63 Cb -0.04 2.28 -0.19 0.00 -0.43 0.00 0.00 46.19 47.80 2i9y s LEU 63 CO -0.02 -0.22 0.27 1.57 -0.29 0.00 0.00 176.35 177.67 2i9y n HIS 64 N 5.44 0.00 -1.93 5.38 -0.00 -1.26 -5.10 115.22 117.75 2i9y n HIS 64 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2i9y n HIS 64 Cb 0.49 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.99 30.19 2i9y n HIS 64 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2i9y n GLU 65 N -1.94 -3.51 0.00 1.57 2.13 -1.26 -4.80 120.64 112.83 2i9y n GLU 65 Ca -0.03 2.71 0.00 0.00 0.66 0.00 0.00 57.16 60.50 2i9y n GLU 65 Cb 0.34 -3.39 0.00 0.00 0.27 0.00 0.00 31.44 28.66 2i9y n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i9y n GLY 66 N 1.24 1.01 3.52 8.31 0.00 -1.26 -4.78 105.19 113.22 2i9y n GLY 66 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2i9y n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i9y s ASP 67 N -0.75 6.25 0.06 1.61 1.11 -1.26 -3.37 116.67 120.31 2i9y s ASP 67 Ca 0.00 -0.52 0.23 0.00 0.18 0.00 0.00 52.55 52.43 2i9y s ASP 67 Cb 0.00 -2.48 -0.02 0.00 1.07 0.00 0.00 42.92 41.48 2i9y s ASP 67 CO 0.00 -1.51 0.94 0.79 1.18 0.00 0.00 175.17 176.58 2i9y n TRP 68 N 8.23 0.34 -1.03 4.23 7.02 -1.26 -4.93 117.44 130.05 2i9y n TRP 68 Ca 0.01 0.10 -0.01 0.00 -1.02 0.00 0.00 57.50 56.58 2i9y n TRP 68 Cb 0.47 -0.52 -0.00 0.00 -2.42 0.00 0.00 31.31 28.84 2i9y n TRP 68 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i9y n GLY 69 N 1.32 0.48 3.25 6.99 0.00 -1.26 -5.00 105.19 110.97 2i9y n GLY 69 Ca 0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2i9y n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i9y s THR 70 N -1.91 0.76 0.24 2.61 -4.23 -1.26 -5.09 115.64 106.75 2i9y s THR 70 Ca 0.00 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.22 2i9y s THR 70 Cb 0.00 -2.12 -0.10 0.00 1.34 0.00 0.00 72.50 71.63 2i9y s THR 70 CO 0.00 -0.49 1.40 -0.69 -0.54 0.00 0.00 174.62 174.30 2i9y s VAL 71 N -3.60 2.81 0.00 2.29 1.01 -1.26 -2.19 120.40 119.46 2i9y s VAL 71 Ca 0.24 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2i9y s VAL 71 Cb 0.06 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2i9y s VAL 71 CO 0.04 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2i9y n GLY 72 N 2.20 0.47 3.73 4.51 0.00 0.12 -5.00 105.19 111.22 2i9y n GLY 72 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2i9y n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i9y s SER 73 N -2.91 6.66 -0.14 1.61 0.15 -0.93 -4.70 113.70 113.44 2i9y s SER 73 Ca 0.00 2.58 0.01 0.00 0.70 0.00 0.00 55.95 59.24 2i9y s SER 73 Cb 0.00 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2i9y s SER 73 CO 0.00 -0.75 -0.14 -0.63 1.20 0.00 0.00 173.24 172.92 2i9y s ILE 74 N 0.72 1.53 0.09 6.45 1.01 -1.22 -0.35 121.20 129.43 2i9y s ILE 74 Ca 0.65 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.71 2i9y s ILE 74 Cb -0.42 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2i9y s ILE 74 CO 0.35 0.45 -0.07 0.54 0.00 0.00 0.00 174.94 176.21 2i9y s VAL 75 N 1.41 0.72 -0.08 2.92 0.11 -1.24 -4.38 120.40 119.87 2i9y s VAL 75 Ca 0.03 -1.79 0.03 0.00 -2.93 0.00 0.00 61.98 57.32 2i9y s VAL 75 Cb -0.13 -1.50 0.01 0.00 -1.53 0.00 0.00 36.38 33.23 2i9y s VAL 75 CO -0.09 -0.76 -0.15 -0.36 -3.33 0.00 0.00 175.10 170.41 2i9y s PHE 76 N -3.15 1.76 -0.03 1.54 0.08 -1.26 -4.10 117.98 112.81 2i9y s PHE 76 Ca 0.08 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.45 2i9y s PHE 76 Cb 0.02 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2i9y s PHE 76 CO -0.03 -0.33 -0.02 -0.46 -0.10 0.00 0.00 175.22 174.27 2i9y s TRP 77 N 0.64 3.04 -0.13 0.36 -0.11 -1.23 -4.94 118.94 116.57 2i9y s TRP 77 Ca -0.14 0.07 -0.02 0.00 1.22 0.00 0.00 56.10 57.23 2i9y s TRP 77 Cb -0.16 -1.69 -0.02 0.00 -1.50 0.00 0.00 33.47 30.09 2i9y s TRP 77 CO 0.04 0.43 -0.08 -0.80 -4.62 0.00 0.00 176.95 171.92 2i9y s ASN 78 N -1.26 4.45 0.04 5.86 -0.87 -1.26 -0.75 114.94 121.14 2i9y s ASN 78 Ca 0.17 -0.20 0.06 0.00 -1.57 0.00 0.00 52.86 51.32 2i9y s ASN 78 Cb -0.11 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.25 39.48 2i9y s ASN 78 CO 0.07 0.20 -0.17 -0.72 -2.57 0.00 0.00 177.10 173.90 2i9y s TYR 79 N 0.19 1.51 -0.28 2.20 1.13 -0.36 -4.94 117.35 116.80 2i9y s TYR 79 Ca -0.05 -0.36 -0.09 0.00 -1.41 0.00 0.00 57.07 55.17 2i9y s TYR 79 Cb -0.14 -0.90 -0.02 0.00 -1.10 0.00 0.00 41.96 39.80 2i9y s TYR 79 CO 0.04 0.06 0.13 0.08 -2.51 0.00 0.00 175.55 173.35 2i9y s VAL 80 N -0.81 4.57 -0.06 -3.49 1.01 -1.26 0.37 120.40 120.73 2i9y s VAL 80 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2i9y s VAL 80 Cb -0.08 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2i9y s VAL 80 CO 0.01 0.19 -0.03 -2.28 0.00 0.00 0.00 175.10 172.99 2i9y s HIS 81 N 1.63 0.80 -1.51 5.22 5.04 0.05 -4.73 115.29 121.79 2i9y s HIS 81 Ca 0.05 -0.25 0.00 0.00 -1.54 0.00 0.00 55.06 53.32 2i9y s HIS 81 Cb -0.16 -0.77 0.00 0.00 0.04 0.00 0.00 32.58 31.69 2i9y s HIS 81 CO 0.06 -0.27 0.00 -0.25 -2.34 0.00 0.00 174.74 171.94 2i9y n ASP 82 N 4.50 -5.06 0.00 9.88 8.00 -1.26 -2.17 116.55 130.44 2i9y n ASP 82 Ca -0.18 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2i9y n ASP 82 Cb 0.50 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 2i9y n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i9y n GLY 83 N -1.00 2.61 3.91 0.44 0.00 -1.26 -5.01 105.19 104.89 2i9y n GLY 83 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2i9y n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i9y s GLU 84 N -0.18 3.54 -0.33 1.61 2.02 -0.92 -5.05 118.70 119.38 2i9y s GLU 84 Ca 0.00 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 2i9y s GLU 84 Cb 0.00 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 2i9y s GLU 84 CO 0.00 0.48 0.56 0.00 0.02 0.00 0.00 175.26 176.31 2i9y s ALA 85 N -1.70 3.50 0.20 5.21 0.00 -1.26 -0.77 121.76 126.94 2i9y s ALA 85 Ca 0.39 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2i9y s ALA 85 Cb -0.12 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2i9y s ALA 85 CO 0.27 -1.14 0.38 0.15 0.00 0.00 0.00 175.76 175.42 2i9y s LYS 86 N 2.48 3.51 -0.03 0.00 3.01 0.16 -4.91 119.74 123.95 2i9y s LYS 86 Ca 0.21 -0.37 0.05 0.00 -1.01 0.00 0.00 55.97 54.85 2i9y s LYS 86 Cb -0.15 -2.85 -0.03 0.00 -1.01 0.00 0.00 37.83 33.80 2i9y s LYS 86 CO 0.13 0.40 -0.17 0.08 0.51 0.00 0.00 175.35 176.30 2i9y s VAL 87 N -1.87 2.82 -0.24 3.17 1.01 -1.26 -1.23 120.40 122.80 2i9y s VAL 87 Ca 0.38 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2i9y s VAL 87 Cb -0.11 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2i9y s VAL 87 CO 0.29 0.55 0.04 0.00 0.00 0.00 0.00 175.10 175.98 2i9y s ALA 88 N -0.74 3.07 -0.24 5.51 0.00 0.07 -4.99 121.76 124.44 2i9y s ALA 88 Ca 0.12 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 2i9y s ALA 88 Cb -0.10 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 2i9y s ALA 88 CO 0.01 -0.45 0.28 -1.59 0.00 0.00 0.00 175.76 174.01 2i9y s LYS 89 N 1.53 4.07 -0.01 0.00 0.00 -1.26 -3.49 119.74 120.58 2i9y s LYS 89 Ca 0.06 -0.07 -0.18 0.00 0.00 0.00 0.00 55.97 55.78 2i9y s LYS 89 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 37.83 34.14 2i9y s LYS 89 CO 0.02 -0.07 0.38 -1.83 0.00 0.00 0.00 175.35 173.85 2i9y s GLU 90 N 1.43 0.77 -0.02 1.78 -1.05 -1.25 -4.53 118.70 115.83 2i9y s GLU 90 Ca 0.12 -0.16 0.01 0.00 -0.15 0.00 0.00 54.97 54.79 2i9y s GLU 90 Cb -0.15 0.34 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 2i9y s GLU 90 CO 0.07 -0.23 -0.02 0.50 0.95 0.00 0.00 175.26 176.54 2i9y s ARG 91 N -1.51 0.40 -0.13 -4.83 3.52 -0.88 -3.82 118.95 111.69 2i9y s ARG 91 Ca -0.12 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.15 2i9y s ARG 91 Cb -0.04 -0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 32.86 2i9y s ARG 91 CO 0.04 -0.05 1.26 0.42 -0.81 0.00 0.00 175.30 176.17 2i9y s ILE 92 N 0.59 4.24 -0.15 4.11 -1.09 0.52 -2.13 121.20 127.29 2i9y s ILE 92 Ca -0.06 1.52 0.14 0.00 -2.23 0.00 0.00 60.65 60.02 2i9y s ILE 92 Cb -0.09 -3.98 -0.19 0.00 -1.58 0.00 0.00 42.46 36.61 2i9y s ILE 92 CO -0.01 -0.10 0.07 -0.62 -1.23 0.00 0.00 174.94 173.05 2i9y n GLU 93 N 6.24 1.44 -3.64 2.79 -0.58 -0.49 0.11 120.64 126.52 2i9y n GLU 93 Ca 0.13 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.77 2i9y n GLU 93 Cb 0.45 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 29.86 2i9y n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i9y s ALA 94 N -2.40 -1.98 -0.08 0.62 0.00 -1.25 -4.87 121.76 111.79 2i9y s ALA 94 Ca -0.08 2.03 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 2i9y s ALA 94 Cb 0.05 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.78 2i9y s ALA 94 CO 0.63 -0.29 0.17 0.54 0.00 0.00 0.00 175.76 176.81 2i9y s VAL 95 N 0.61 -0.21 -0.32 0.00 0.11 -1.26 -0.18 120.40 119.15 2i9y s VAL 95 Ca -0.01 0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 59.32 2i9y s VAL 95 Cb -0.05 -0.30 0.07 0.00 -1.53 0.00 0.00 36.38 34.57 2i9y s VAL 95 CO -0.08 0.12 0.03 -1.61 -3.33 0.00 0.00 175.10 170.23 2i9y s GLU 96 N 1.95 2.22 0.32 1.54 0.41 0.17 -4.93 118.70 120.39 2i9y s GLU 96 Ca -0.01 -1.45 0.12 0.00 -0.41 0.00 0.00 54.97 53.22 2i9y s GLU 96 Cb -0.12 -3.22 0.54 0.00 -1.78 0.00 0.00 34.13 29.56 2i9y s GLU 96 CO -0.06 -0.73 1.72 -1.00 -0.49 0.00 0.00 175.26 174.69 2i9y h PRO 97 N 7.93 0.00 0.00 0.39 0.13 -1.90 0.51 132.00 139.07 2i9y h PRO 97 Ca -0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 2i9y h PRO 97 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2i9y h PRO 97 CO 0.55 0.49 -0.50 0.22 -0.23 0.00 0.00 178.00 178.53 2i9y h ASP 98 N 0.00 0.00 -0.09 1.44 3.58 -1.92 -3.14 116.42 116.29 2i9y h ASP 98 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2i9y h ASP 98 Cb 0.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2i9y h ASP 98 CO 0.06 0.50 0.00 0.29 -2.88 0.00 0.00 179.24 177.22 2i9y n LYS 99 N -3.91 1.54 -3.91 0.28 5.02 -1.17 -4.98 118.16 111.03 2i9y n LYS 99 Ca -0.01 -1.34 -0.28 0.00 -2.02 0.00 0.00 58.31 54.66 2i9y n LYS 99 Cb 0.52 -1.11 0.01 0.00 -0.02 0.00 0.00 35.03 34.43 2i9y n LYS 99 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2i9y n ASN 100 N 0.10 -2.93 -4.32 4.39 3.02 -0.08 -4.56 115.26 110.87 2i9y n ASN 100 Ca 0.04 -0.86 -0.32 0.00 -0.03 0.00 0.00 54.58 53.42 2i9y n ASN 100 Cb 0.24 -3.65 -0.16 0.00 -0.61 0.00 0.00 39.78 35.60 2i9y n ASN 100 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2i9y s LEU 101 N -7.07 2.24 -0.14 3.41 2.96 -0.02 -0.85 118.68 119.20 2i9y s LEU 101 Ca 0.40 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2i9y s LEU 101 Cb -0.20 -1.42 0.06 0.00 0.50 0.00 0.00 46.19 45.13 2i9y s LEU 101 CO 0.85 0.27 0.32 -0.51 -1.32 0.00 0.00 176.35 175.95 2i9y s ILE 102 N -0.29 -0.25 -0.24 6.68 2.07 -0.06 0.45 121.20 129.56 2i9y s ILE 102 Ca 0.01 0.18 -0.11 0.00 -1.41 0.00 0.00 60.65 59.31 2i9y s ILE 102 Cb -0.13 -0.50 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 2i9y s ILE 102 CO 0.03 0.07 0.20 -0.89 -1.91 0.00 0.00 174.94 172.44 2i9y s THR 103 N 1.87 5.33 0.09 4.00 2.01 0.75 -1.11 115.64 128.57 2i9y s THR 103 Ca -0.05 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.24 2i9y s THR 103 Cb -0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2i9y s THR 103 CO -0.10 0.31 0.05 -0.36 -0.69 0.00 0.00 174.62 173.83 2i9y s PHE 104 N 1.24 3.11 0.01 4.92 0.08 0.12 -1.39 117.98 126.07 2i9y s PHE 104 Ca 0.09 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.18 2i9y s PHE 104 Cb -0.14 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2i9y s PHE 104 CO 0.06 0.51 -0.02 0.50 -0.10 0.00 0.00 175.22 176.17 2i9y s ARG 105 N -2.38 0.20 0.28 0.44 3.52 -0.91 -2.06 118.95 118.05 2i9y s ARG 105 Ca 0.28 -0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.19 2i9y s ARG 105 Cb -0.12 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.24 2i9y s ARG 105 CO 0.21 -0.03 1.17 0.54 -0.81 0.00 0.00 175.30 176.37 2i9y s VAL 106 N -0.94 3.29 0.00 7.11 0.11 -1.18 -2.07 120.40 126.71 2i9y s VAL 106 Ca -0.10 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2i9y s VAL 106 Cb -0.06 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2i9y s VAL 106 CO -0.01 0.29 0.00 2.30 -3.33 0.00 0.00 175.10 174.36 2i9y n ILE 107 N 1.24 0.00 0.00 7.04 -0.00 -1.26 -4.92 119.36 121.46 2i9y n ILE 107 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2i9y n ILE 107 Cb 0.44 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 39.59 2i9y n ILE 107 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2i9y n GLU 108 N -1.34 0.00 0.00 6.28 4.07 -1.26 -5.07 120.64 123.33 2i9y n GLU 108 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2i9y n GLU 108 Cb 0.26 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.64 2i9y n GLU 108 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i9y n GLY 109 N 3.30 0.00 0.23 8.31 0.00 -1.26 -4.93 105.19 110.83 2i9y n GLY 109 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2i9y n GLY 109 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2i9y h ASP 110 N 0.00 -0.48 1.21 1.61 3.58 -2.01 0.17 116.42 120.50 2i9y h ASP 110 Ca 0.00 0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 2i9y h ASP 110 Cb 0.00 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2i9y h ASP 110 CO 0.00 -0.18 -0.29 -0.07 -2.88 0.00 0.00 179.24 175.82 2i9y h LEU 111 N 0.02 0.00 0.00 2.28 3.38 -1.94 -3.16 115.31 115.90 2i9y h LEU 111 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2i9y h LEU 111 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2i9y h LEU 111 CO -0.58 0.29 0.00 0.23 0.09 0.00 0.00 178.44 178.47 2i9y n MET 112 N -3.31 0.31 0.12 1.13 2.81 0.02 -1.16 117.12 117.04 2i9y n MET 112 Ca 0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2i9y n MET 112 Cb 0.54 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 2i9y n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2i9y h LYS 113 N 0.00 0.00 0.00 0.03 1.79 -1.43 -3.34 116.57 113.62 2i9y h LYS 113 Ca 0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 2i9y h LYS 113 Cb 0.32 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 2i9y h LYS 113 CO 0.00 0.61 -2.08 0.39 -1.08 0.00 0.00 179.45 177.30 2i9y n GLU 114 N -3.27 1.21 -4.37 3.15 4.71 -1.12 -5.00 120.64 115.96 2i9y n GLU 114 Ca 0.01 0.03 -0.25 0.00 -0.01 0.00 0.00 57.16 56.94 2i9y n GLU 114 Cb 0.77 -1.39 -0.13 0.00 -1.01 0.00 0.00 31.44 29.68 2i9y n GLU 114 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2i9y s TYR 115 N -2.38 1.86 -1.41 -0.32 2.02 -0.31 -2.57 117.35 114.24 2i9y s TYR 115 Ca -0.13 -0.41 0.24 0.00 -0.37 0.00 0.00 57.07 56.40 2i9y s TYR 115 Cb 0.05 -1.03 0.25 0.00 -0.40 0.00 0.00 41.96 40.83 2i9y s TYR 115 CO 0.58 0.20 1.24 0.36 -1.57 0.00 0.00 175.55 176.36 2i9y n LYS 116 N 1.21 0.47 -3.59 -0.62 2.85 0.08 -3.89 118.16 114.67 2i9y n LYS 116 Ca -0.19 -0.34 -0.13 0.00 -1.05 0.00 0.00 58.31 56.61 2i9y n LYS 116 Cb 0.53 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 2i9y n LYS 116 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2i9y s SER 117 N -2.77 -0.53 -0.24 -5.58 0.15 -1.22 -4.98 113.70 98.53 2i9y s SER 117 Ca 0.15 0.78 -0.10 0.00 0.70 0.00 0.00 55.95 57.48 2i9y s SER 117 Cb 0.18 0.71 0.10 0.00 -1.71 0.00 0.00 66.02 65.29 2i9y s SER 117 CO 0.68 -0.34 0.55 0.12 1.20 0.00 0.00 173.24 175.45 2i9y s PHE 118 N -0.53 -1.00 0.03 3.44 5.36 -1.26 -0.52 117.98 123.50 2i9y s PHE 118 Ca -0.02 1.89 0.02 0.00 -0.96 0.00 0.00 56.93 57.85 2i9y s PHE 118 Cb -0.02 0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 43.17 2i9y s PHE 118 CO 0.02 -0.53 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.66 2i9y s LEU 119 N 2.26 2.22 -0.06 6.12 1.43 0.74 -3.09 118.68 128.31 2i9y s LEU 119 Ca -0.06 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2i9y s LEU 119 Cb -0.10 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 45.96 2i9y s LEU 119 CO -0.16 -0.16 0.13 -1.48 0.23 0.00 0.00 176.35 174.91 2i9y s LEU 120 N -1.34 0.95 -0.07 1.79 2.34 -0.88 -0.49 118.68 120.99 2i9y s LEU 120 Ca -0.08 0.27 0.02 0.00 0.06 0.00 0.00 54.13 54.40 2i9y s LEU 120 Cb -0.09 0.35 0.02 0.00 -0.56 0.00 0.00 46.19 45.91 2i9y s LEU 120 CO 0.00 -0.12 -0.11 -0.89 -1.06 0.00 0.00 176.35 174.18 2i9y s THR 121 N 0.88 1.06 0.11 5.48 2.01 0.85 0.10 115.64 126.13 2i9y s THR 121 Ca -0.07 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.62 2i9y s THR 121 Cb -0.09 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2i9y s THR 121 CO -0.04 0.34 -0.21 0.27 -0.69 0.00 0.00 174.62 174.29 2i9y s ILE 122 N 0.88 2.62 -0.06 1.82 -4.36 -0.27 -0.19 121.20 121.64 2i9y s ILE 122 Ca -0.11 -1.53 -0.02 0.00 -0.26 0.00 0.00 60.65 58.72 2i9y s ILE 122 Cb -0.15 -2.17 0.04 0.00 1.25 0.00 0.00 42.46 41.43 2i9y s ILE 122 CO 0.01 0.14 0.13 -1.58 0.24 0.00 0.00 174.94 173.89 2i9y s GLN 123 N -1.98 0.08 -0.31 0.37 0.74 -0.69 -0.88 119.66 116.98 2i9y s GLN 123 Ca 0.16 0.35 -0.16 0.00 0.05 0.00 0.00 55.36 55.75 2i9y s GLN 123 Cb -0.10 -0.19 -0.02 0.00 1.10 0.00 0.00 33.01 33.80 2i9y s GLN 123 CO 0.08 -0.17 0.44 0.08 -0.55 0.00 0.00 175.29 175.17 2i9y s VAL 124 N 1.16 5.10 -0.03 1.34 1.01 -0.03 -0.94 120.40 128.01 2i9y s VAL 124 Ca -0.09 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2i9y s VAL 124 Cb -0.12 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2i9y s VAL 124 CO -0.06 -0.04 -0.19 -0.89 0.00 0.00 0.00 175.10 173.93 2i9y s THR 125 N 2.20 2.69 0.49 3.92 2.01 0.12 -4.69 115.64 122.38 2i9y s THR 125 Ca 0.16 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 2i9y s THR 125 Cb -0.16 -2.03 -0.11 0.00 0.01 0.00 0.00 72.50 70.21 2i9y s THR 125 CO 0.11 0.55 0.44 -2.65 -0.69 0.00 0.00 174.62 172.39 2i9y n PRO 126 N 2.24 0.47 -3.59 4.92 -0.02 -1.26 0.11 135.00 137.88 2i9y n PRO 126 Ca -0.17 0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 61.12 2i9y n PRO 126 Cb 0.52 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.40 2i9y n PRO 126 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2i9y s LYS 127 N -1.70 4.12 -0.14 -0.52 2.20 -1.24 -4.38 119.74 118.08 2i9y s LYS 127 Ca 0.65 -0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.85 2i9y s LYS 127 Cb -0.52 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 2i9y s LYS 127 CO 0.58 0.06 1.89 -2.14 -0.36 0.00 0.00 175.35 175.38 2i9y s PRO 128 N 1.04 3.72 0.00 4.03 0.02 -1.26 -2.57 135.00 139.98 2i9y s PRO 128 Ca 0.11 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2i9y s PRO 128 Cb -0.14 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.22 2i9y s PRO 128 CO 0.05 -1.41 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 2i9y n GLY 129 N 4.92 3.09 0.00 0.52 0.00 -1.26 -5.00 105.19 107.46 2i9y n GLY 129 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2i9y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9y n GLY 130 N 0.00 1.60 3.76 -0.02 0.00 -1.06 -5.09 105.19 104.39 2i9y n GLY 130 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2i9y n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i9y s PRO 131 N 0.00 4.47 0.10 1.61 0.04 -1.26 -4.68 135.00 135.27 2i9y s PRO 131 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2i9y s PRO 131 Cb 0.00 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2i9y s PRO 131 CO 0.00 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2i9y n GLY 132 N 0.97 -3.15 3.41 0.56 0.00 -1.26 -4.89 105.19 100.83 2i9y n GLY 132 Ca -0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 2i9y n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9y s SER 133 N -1.56 -0.13 -0.11 1.61 0.01 -0.76 -3.71 113.70 109.05 2i9y s SER 133 Ca 0.00 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.66 2i9y s SER 133 Cb 0.00 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2i9y s SER 133 CO 0.00 -0.95 -0.07 -0.63 0.41 0.00 0.00 173.24 172.00 2i9y s ILE 134 N -3.89 3.66 -0.28 1.44 -1.09 0.12 0.08 121.20 121.23 2i9y s ILE 134 Ca 0.10 -0.47 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2i9y s ILE 134 Cb 0.01 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 2i9y s ILE 134 CO -0.04 0.55 0.06 0.54 -1.23 0.00 0.00 174.94 174.82 2i9y s VAL 135 N -0.25 3.90 -0.27 2.92 0.11 0.14 0.12 120.40 127.06 2i9y s VAL 135 Ca 0.03 -0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 58.26 2i9y s VAL 135 Cb -0.13 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 2i9y s VAL 135 CO 0.03 0.14 0.53 -1.00 -3.33 0.00 0.00 175.10 171.47 2i9y s HIS 136 N 1.50 3.26 -0.26 1.54 3.76 -0.11 -1.04 115.29 123.93 2i9y s HIS 136 Ca 0.03 0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 55.41 2i9y s HIS 136 Cb -0.17 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 2i9y s HIS 136 CO 0.02 -0.32 0.32 -1.58 -0.85 0.00 0.00 174.74 172.33 2i9y s TRP 137 N 2.36 3.26 -0.34 1.40 0.52 0.12 -1.71 118.94 124.55 2i9y s TRP 137 Ca 0.22 0.36 -0.08 0.00 0.02 0.00 0.00 56.10 56.62 2i9y s TRP 137 Cb -0.16 -2.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.69 2i9y s TRP 137 CO 0.10 -0.17 0.13 -1.58 0.02 0.00 0.00 176.95 175.44 2i9y s HIS 138 N 1.84 3.22 -0.16 -1.98 2.46 0.73 -1.94 115.29 119.46 2i9y s HIS 138 Ca 0.13 -1.16 -0.05 0.00 0.47 0.00 0.00 55.06 54.45 2i9y s HIS 138 Cb -0.16 -2.31 -0.03 0.00 -0.13 0.00 0.00 32.58 29.95 2i9y s HIS 138 CO 0.09 -0.66 -0.00 -0.51 -2.47 0.00 0.00 174.74 171.19 2i9y s LEU 139 N 1.47 3.47 -0.03 8.88 1.02 0.13 -0.10 118.68 133.51 2i9y s LEU 139 Ca 0.01 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 2i9y s LEU 139 Cb -0.19 -1.85 0.03 0.00 0.02 0.00 0.00 46.19 44.20 2i9y s LEU 139 CO 0.04 0.18 0.05 -0.70 0.02 0.00 0.00 176.35 175.94 2i9y s GLU 140 N 0.32 -0.06 0.20 1.70 2.12 0.36 -0.20 118.70 123.14 2i9y s GLU 140 Ca -0.01 0.31 -0.15 0.00 0.36 0.00 0.00 54.97 55.48 2i9y s GLU 140 Cb -0.13 -0.40 0.01 0.00 0.26 0.00 0.00 34.13 33.87 2i9y s GLU 140 CO 0.02 -0.26 0.46 1.52 -0.54 0.00 0.00 175.26 176.45 2i9y s TYR 141 N 1.73 0.08 -0.16 5.30 1.13 0.13 -0.18 117.35 125.38 2i9y s TYR 141 Ca -0.01 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 2i9y s TYR 141 Cb -0.12 0.26 0.03 0.00 -1.10 0.00 0.00 41.96 41.02 2i9y s TYR 141 CO -0.03 -0.88 -0.10 -2.00 -2.51 0.00 0.00 175.55 170.02 2i9y s GLU 142 N -3.92 1.93 0.44 -3.49 2.12 0.32 0.14 118.70 116.24 2i9y s GLU 142 Ca 0.13 -0.57 -0.25 0.00 0.36 0.00 0.00 54.97 54.64 2i9y s GLU 142 Cb 0.00 -2.08 -0.08 0.00 0.26 0.00 0.00 34.13 32.23 2i9y s GLU 142 CO -0.00 -0.33 1.31 0.15 -0.54 0.00 0.00 175.26 175.85 2i9y s LYS 143 N 1.53 3.79 -0.01 4.30 3.01 -0.47 -0.74 119.74 131.15 2i9y s LYS 143 Ca 0.02 2.17 -0.22 0.00 -1.01 0.00 0.00 55.97 56.93 2i9y s LYS 143 Cb -0.14 -2.64 -0.22 0.00 -1.01 0.00 0.00 37.83 33.82 2i9y s LYS 143 CO -0.09 -0.64 1.11 0.82 0.51 0.00 0.00 175.35 177.05 2i9y h ILE 144 N 2.24 1.47 -2.53 2.17 2.04 -1.81 -3.41 117.51 117.68 2i9y h ILE 144 Ca -0.50 -1.89 -0.05 0.00 1.00 0.00 0.00 64.86 63.42 2i9y h ILE 144 Cb 1.26 2.55 -0.16 0.00 -0.74 0.00 0.00 36.82 39.73 2i9y h ILE 144 CO 0.61 0.54 0.13 -0.44 0.00 0.00 0.00 178.15 178.99 2i9y s SER 145 N -6.45 -0.55 0.07 1.72 0.01 -1.26 -4.89 113.70 102.35 2i9y s SER 145 Ca -0.15 0.34 -0.35 0.00 1.31 0.00 0.00 55.95 57.11 2i9y s SER 145 Cb 0.03 0.53 -0.20 0.00 0.21 0.00 0.00 66.02 66.59 2i9y s SER 145 CO 0.77 -0.73 1.60 -0.33 0.41 0.00 0.00 173.24 174.96 2i9y h GLU 146 N 2.70 -1.05 0.00 12.44 4.39 -1.94 -2.00 114.58 129.12 2i9y h GLU 146 Ca -0.30 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2i9y h GLU 146 Cb 1.21 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2i9y h GLU 146 CO 0.40 -0.70 0.00 0.93 -1.16 0.00 0.00 179.01 178.48 2i9y h GLU 147 N -1.09 0.00 0.00 2.33 4.39 -1.99 -1.31 114.58 116.90 2i9y h GLU 147 Ca -0.11 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 2i9y h GLU 147 Cb 0.84 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 2i9y h GLU 147 CO 0.17 0.00 -0.87 0.28 -1.16 0.00 0.00 179.01 177.44 2i9y h VAL 148 N 0.00 1.00 -3.92 3.13 2.07 -1.82 -3.46 116.25 113.24 2i9y h VAL 148 Ca 0.00 -2.50 -0.50 0.00 0.82 0.00 0.00 66.70 64.53 2i9y h VAL 148 Cb 0.22 2.45 0.05 0.00 -1.52 0.00 0.00 31.29 32.49 2i9y h VAL 148 CO 0.00 0.57 0.25 0.00 0.02 0.00 0.00 177.57 178.41 2i9y s ALA 149 N -2.87 3.25 -0.39 1.67 0.00 -0.50 -4.70 121.76 118.22 2i9y s ALA 149 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.63 2i9y s ALA 149 Cb 0.08 -2.80 0.15 0.00 0.00 0.00 0.00 23.12 20.55 2i9y s ALA 149 CO 0.78 -0.57 0.25 -1.01 0.00 0.00 0.00 175.76 175.21 2i9y s HIS 150 N -2.97 1.08 0.52 0.00 0.09 -1.26 -4.97 115.29 107.78 2i9y s HIS 150 Ca 0.51 -1.96 0.26 0.00 -0.00 0.00 0.00 55.06 53.87 2i9y s HIS 150 Cb -0.11 -1.12 1.57 0.00 -0.00 0.00 0.00 32.58 32.93 2i9y s HIS 150 CO 0.49 -0.81 2.17 -1.35 -0.00 0.00 0.00 174.74 175.23 2i9y h PRO 151 N 6.61 0.00 -0.32 8.40 0.11 -1.97 -3.00 132.00 141.82 2i9y h PRO 151 Ca 0.10 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.22 2i9y h PRO 151 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2i9y h PRO 151 CO 0.33 0.05 0.19 0.93 -0.21 0.00 0.00 178.00 179.30 2i9y h GLU 152 N 0.00 0.39 -0.00 1.05 4.39 -2.00 -2.29 114.58 116.12 2i9y h GLU 152 Ca -0.00 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2i9y h GLU 152 Cb 0.11 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2i9y h GLU 152 CO 0.01 0.26 -0.51 1.79 -1.16 0.00 0.00 179.01 179.40 2i9y h THR 153 N 0.40 1.36 -0.43 1.13 1.35 -1.95 -0.70 112.91 114.06 2i9y h THR 153 Ca 0.12 -1.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.22 2i9y h THR 153 Cb -0.01 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 2i9y h THR 153 CO -0.05 0.50 0.18 -0.07 -0.25 0.00 0.00 175.52 175.82 2i9y h LEU 154 N 0.00 0.60 -0.74 3.87 4.07 -1.48 0.25 115.31 121.88 2i9y h LEU 154 Ca -0.00 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.68 2i9y h LEU 154 Cb 0.90 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 2i9y h LEU 154 CO 0.07 0.60 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.71 2i9y h LEU 155 N 0.56 0.72 -0.79 1.67 3.38 -0.86 0.17 115.31 120.15 2i9y h LEU 155 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2i9y h LEU 155 Cb 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2i9y h LEU 155 CO -0.01 0.93 0.21 1.56 0.09 0.00 0.00 178.44 181.22 2i9y h GLN 156 N 0.61 1.12 -0.24 1.13 1.08 -0.97 0.33 115.11 118.17 2i9y h GLN 156 Ca 0.08 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 2i9y h GLN 156 Cb 0.73 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2i9y h GLN 156 CO 0.06 0.96 0.12 0.35 -0.95 0.00 0.00 178.83 179.37 2i9y h PHE 157 N 1.07 0.35 -0.13 2.96 3.57 0.05 -2.20 116.94 122.62 2i9y h PHE 157 Ca 0.23 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2i9y h PHE 157 Cb 0.32 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2i9y h PHE 157 CO 0.03 0.33 0.05 0.00 -2.23 0.00 0.00 178.31 176.49 2i9y h VAL 159 N 0.06 1.16 -0.06 0.00 3.04 -0.89 -1.33 116.25 118.22 2i9y h VAL 159 Ca 0.04 -0.43 -0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2i9y h VAL 159 Cb 0.16 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2i9y h VAL 159 CO -0.00 0.17 0.03 -0.33 -1.01 0.00 0.00 177.57 176.43 2i9y h GLU 160 N 0.51 0.08 -0.38 4.17 4.39 -1.35 -2.02 114.58 119.98 2i9y h GLU 160 Ca 0.14 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2i9y h GLU 160 Cb 0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2i9y h GLU 160 CO -0.02 0.11 0.21 0.28 -1.16 0.00 0.00 179.01 178.42 2i9y h VAL 161 N 0.03 1.12 -0.90 3.13 2.07 -1.30 -2.06 116.25 118.33 2i9y h VAL 161 Ca 0.02 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.33 2i9y h VAL 161 Cb 0.05 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2i9y h VAL 161 CO -0.00 0.13 0.55 0.28 0.02 0.00 0.00 177.57 178.55 2i9y h SER 162 N 0.52 0.85 -0.15 0.57 0.02 -0.48 0.17 113.55 115.05 2i9y h SER 162 Ca 0.14 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2i9y h SER 162 Cb 0.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2i9y h SER 162 CO -0.02 0.52 -0.49 0.11 -1.14 0.00 0.00 176.83 175.80 2i9y h LYS 163 N 0.97 0.59 -0.31 3.45 6.56 -1.25 -2.36 116.57 124.23 2i9y h LYS 163 Ca 0.41 -0.44 0.06 0.00 -1.06 0.00 0.00 60.65 59.62 2i9y h LYS 163 Cb 0.26 0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.95 2i9y h LYS 163 CO -0.20 1.06 -0.02 0.93 -2.06 0.00 0.00 179.45 179.16 2i9y h GLU 164 N 0.23 0.06 -0.19 3.15 4.39 -0.85 0.31 114.58 121.69 2i9y h GLU 164 Ca -0.02 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.47 2i9y h GLU 164 Cb 1.12 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2i9y h GLU 164 CO 0.10 0.04 -0.70 0.97 -1.16 0.00 0.00 179.01 178.26 2i9y h ILE 165 N 0.06 1.28 0.15 3.13 -0.00 -0.78 -1.46 117.51 119.89 2i9y h ILE 165 Ca 0.15 -1.90 -0.01 0.00 -0.00 0.00 0.00 64.86 63.10 2i9y h ILE 165 Cb 0.21 1.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.90 2i9y h ILE 165 CO -0.27 0.61 -0.07 -0.78 -0.00 0.00 0.00 178.15 177.64 2i9y h ASP 166 N 0.56 -0.16 0.26 2.19 3.58 -0.92 -0.67 116.42 121.27 2i9y h ASP 166 Ca -0.03 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 2i9y h ASP 166 Cb 1.32 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 2i9y h ASP 166 CO 0.15 -0.01 -0.31 -0.33 -2.88 0.00 0.00 179.24 175.86 2i9y h GLU 167 N -0.31 0.07 -0.73 0.28 5.08 -0.45 -0.67 114.58 117.85 2i9y h GLU 167 Ca -0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2i9y h GLU 167 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2i9y h GLU 167 CO 0.03 0.38 0.30 1.25 -1.00 0.00 0.00 179.01 179.97 2i9y h HIS 168 N 0.07 1.11 -0.37 4.33 2.76 -0.85 -0.22 115.15 121.98 2i9y h HIS 168 Ca 0.01 -0.08 -0.14 0.00 -2.20 0.00 0.00 60.37 57.95 2i9y h HIS 168 Cb 0.58 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2i9y h HIS 168 CO 0.00 0.85 -0.35 -0.07 -1.30 0.00 0.00 177.93 177.06 2i9y h LEU 169 N 1.05 0.89 -1.24 0.26 3.38 -0.09 0.19 115.31 119.74 2i9y h LEU 169 Ca 0.25 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2i9y h LEU 169 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2i9y h LEU 169 CO -0.02 1.14 0.10 -0.07 0.09 0.00 0.00 178.44 179.68 2i9y h LEU 170 N 0.70 0.57 -0.06 1.67 3.38 -0.89 -2.95 115.31 117.73 2i9y h LEU 170 Ca 0.07 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2i9y h LEU 170 Cb 0.91 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.52 2i9y h LEU 170 CO 0.08 0.58 -0.80 0.00 0.09 0.00 0.00 178.44 178.39 2i9y h ALA 171 N 1.50 0.18 -2.32 1.53 0.00 -0.71 -3.46 119.26 115.99 2i9y h ALA 171 Ca 0.14 -0.62 -0.45 0.00 0.00 0.00 0.00 54.91 53.99 2i9y h ALA 171 Cb 0.24 0.02 0.17 0.00 0.00 0.00 0.00 17.79 18.22 2i9y h ALA 171 CO -0.00 0.58 0.18 -1.21 0.00 0.00 0.00 179.25 178.79 2i9y s GLU 172 N -3.48 0.11 0.00 0.00 0.41 0.03 -5.09 118.70 110.67 2i9y s GLU 172 Ca -0.11 0.42 0.32 0.00 -0.41 0.00 0.00 54.97 55.19 2i9y s GLU 172 Cb 0.07 -1.71 1.87 0.00 -1.78 0.00 0.00 34.13 32.57 2i9y s GLU 172 CO 0.89 -2.92 2.21 0.39 -0.49 0.00 0.00 175.26 175.33