#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 2.20 -0.25 1.09 -1.05 -1.26 -4.99 118.70 114.45 2i9y s GLU 18 Ca 0.00 0.60 0.09 0.00 -0.15 0.00 0.00 54.97 55.51 2i9y s GLU 18 Cb 0.00 -1.94 0.44 0.00 -0.44 0.00 0.00 34.13 32.20 2i9y s GLU 18 CO 0.00 -1.53 1.20 0.00 0.95 0.00 0.00 175.26 175.89 2i9y n ALA 19 N -3.36 4.36 -0.21 -0.84 0.00 -1.26 -4.81 120.51 114.38 2i9y n ALA 19 Ca 0.07 -3.55 -0.00 0.00 0.00 0.00 0.00 53.44 49.95 2i9y n ALA 19 Cb 0.57 -0.34 0.11 0.00 0.00 0.00 0.00 19.45 19.78 2i9y n ALA 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i9y h SER 20 N 1.62 0.35 0.38 0.00 0.87 -2.03 0.37 113.55 115.12 2i9y h SER 20 Ca 0.19 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2i9y h SER 20 Cb 1.29 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2i9y h SER 20 CO 0.40 0.21 -0.35 -0.24 -0.53 0.00 0.00 176.83 176.32 2i9y n SER 21 N -4.92 0.73 0.00 6.23 2.88 -1.26 -4.94 113.62 112.34 2i9y n SER 21 Ca 0.09 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 2i9y n SER 21 Cb 0.24 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2i9y n SER 21 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2i9y n LEU 22 N -1.08 0.00 0.00 2.46 4.77 0.12 -4.88 117.00 118.39 2i9y n LEU 22 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2i9y n LEU 22 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2i9y n LEU 22 CO 0.30 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.88 2i9y n VAL 23 N 0.00 0.00 -0.22 4.08 0.31 -1.26 -4.57 118.33 116.66 2i9y n VAL 23 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2i9y n VAL 23 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2i9y n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i9y n GLY 24 N 0.00 0.17 3.17 2.92 0.00 -1.20 -3.58 105.19 106.67 2i9y n GLY 24 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 2i9y n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9y s LYS 25 N -0.70 0.36 -0.05 1.61 1.02 -1.26 -0.49 119.74 120.22 2i9y s LYS 25 Ca 0.00 0.31 -0.24 0.00 0.02 0.00 0.00 55.97 56.05 2i9y s LYS 25 Cb 0.00 0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.53 2i9y s LYS 25 CO 0.00 -0.05 0.54 -1.17 -0.92 0.00 0.00 175.35 173.74 2i9y s LEU 26 N -0.04 -0.07 -0.03 3.17 2.96 0.28 -4.98 118.68 119.97 2i9y s LEU 26 Ca -0.02 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2i9y s LEU 26 Cb -0.02 2.03 0.00 0.00 0.50 0.00 0.00 46.19 48.70 2i9y s LEU 26 CO 0.01 -0.51 -0.08 -0.70 -1.32 0.00 0.00 176.35 173.74 2i9y s GLU 27 N -1.10 0.91 0.01 1.98 2.12 -1.26 0.33 118.70 121.69 2i9y s GLU 27 Ca -0.11 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 54.95 2i9y s GLU 27 Cb -0.02 -0.86 -0.01 0.00 0.26 0.00 0.00 34.13 33.50 2i9y s GLU 27 CO 0.07 0.10 -0.03 -0.08 -0.54 0.00 0.00 175.26 174.78 2i9y s THR 28 N 0.23 0.22 -0.22 -1.70 -1.32 -0.59 -4.98 115.64 107.28 2i9y s THR 28 Ca -0.04 -0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 60.02 2i9y s THR 28 Cb -0.09 -0.24 -0.02 0.00 -1.51 0.00 0.00 72.50 70.64 2i9y s THR 28 CO 0.00 -0.10 0.02 1.51 -2.21 0.00 0.00 174.62 173.84 2i9y s ASP 29 N -0.50 4.87 -0.18 8.08 -4.77 -1.26 -0.34 116.67 122.58 2i9y s ASP 29 Ca -0.04 -0.22 -0.03 0.00 -3.30 0.00 0.00 52.55 48.96 2i9y s ASP 29 Cb -0.04 -1.85 -0.02 0.00 -1.09 0.00 0.00 42.92 39.93 2i9y s ASP 29 CO -0.00 0.03 -0.05 -0.69 0.70 0.00 0.00 175.17 175.16 2i9y s VAL 30 N 1.22 3.63 -0.20 2.11 1.01 -0.61 -4.92 120.40 122.64 2i9y s VAL 30 Ca 0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2i9y s VAL 30 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2i9y s VAL 30 CO 0.02 0.47 0.39 -1.83 0.00 0.00 0.00 175.10 174.14 2i9y s GLU 31 N 0.77 4.18 0.39 2.72 4.04 -1.26 -0.50 118.70 129.03 2i9y s GLU 31 Ca -0.02 0.19 0.08 0.00 0.04 0.00 0.00 54.97 55.26 2i9y s GLU 31 Cb -0.15 -3.53 -0.06 0.00 0.02 0.00 0.00 34.13 30.41 2i9y s GLU 31 CO 0.02 -0.02 0.06 0.96 -1.84 0.00 0.00 175.26 174.44 2i9y s ILE 32 N 1.25 2.25 -0.41 1.83 -4.36 1.00 -4.96 121.20 117.79 2i9y s ILE 32 Ca 0.19 -1.91 0.22 0.00 -0.26 0.00 0.00 60.65 58.89 2i9y s ILE 32 Cb -0.15 -2.93 -0.28 0.00 1.25 0.00 0.00 42.46 40.35 2i9y s ILE 32 CO 0.08 -0.06 0.67 0.29 0.24 0.00 0.00 174.94 176.16 2i9y n LYS 33 N -1.04 0.40 -2.25 0.37 5.02 -1.26 -0.58 118.16 118.82 2i9y n LYS 33 Ca -0.03 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 2i9y n LYS 33 Cb 0.65 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 -3.31 3.51 0.27 7.82 0.00 -1.26 -3.88 121.76 124.90 2i9y s ALA 34 Ca -0.02 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 2i9y s ALA 34 Cb 0.15 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2i9y s ALA 34 CO 0.89 -0.51 1.06 0.45 0.00 0.00 0.00 175.76 177.64 2i9y s SER 35 N 0.45 7.37 0.34 0.00 0.15 -1.26 -3.07 113.70 117.68 2i9y s SER 35 Ca 0.57 2.18 0.02 0.00 0.70 0.00 0.00 55.95 59.42 2i9y s SER 35 Cb -0.35 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 61.93 2i9y s SER 35 CO 0.36 -0.06 1.96 0.00 1.20 0.00 0.00 173.24 176.70 2i9y h ALA 36 N 3.92 1.46 -0.31 5.45 0.00 -1.87 -0.23 119.26 127.68 2i9y h ALA 36 Ca -0.46 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 2i9y h ALA 36 Cb 1.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2i9y h ALA 36 CO 0.67 0.44 -0.05 0.22 0.00 0.00 0.00 179.25 180.53 2i9y h ASP 37 N 0.78 0.58 0.12 0.00 3.58 -1.91 -3.01 116.42 116.57 2i9y h ASP 37 Ca 0.20 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.27 2i9y h ASP 37 Cb 0.05 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2i9y h ASP 37 CO -0.03 0.79 -0.12 0.50 -2.88 0.00 0.00 179.24 177.50 2i9y h LYS 38 N 0.36 0.00 -0.31 0.28 3.64 -1.70 -1.35 116.57 117.49 2i9y h LYS 38 Ca 0.08 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2i9y h LYS 38 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2i9y h LYS 38 CO 0.03 0.12 0.06 0.35 -2.27 0.00 0.00 179.45 177.74 2i9y h PHE 39 N 0.00 0.09 -0.20 1.91 3.04 -0.93 0.34 116.94 121.19 2i9y h PHE 39 Ca -0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2i9y h PHE 39 Cb 0.22 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2i9y h PHE 39 CO 0.00 0.01 0.10 1.25 -2.02 0.00 0.00 178.31 177.66 2i9y h HIS 40 N 0.16 0.26 0.01 0.41 2.76 -1.28 -1.14 115.15 116.34 2i9y h HIS 40 Ca 0.15 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.07 2i9y h HIS 40 Cb 0.16 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.05 2i9y h HIS 40 CO -0.18 0.19 -1.01 0.45 -1.30 0.00 0.00 177.93 176.07 2i9y h HIS 41 N 0.27 0.82 0.00 5.26 3.86 -0.90 -2.32 115.15 122.14 2i9y h HIS 41 Ca 0.07 -0.45 -0.06 0.00 -1.16 0.00 0.00 60.37 58.77 2i9y h HIS 41 Cb 0.02 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2i9y h HIS 41 CO 0.00 1.29 -0.27 0.52 0.86 0.00 0.00 177.93 180.32 2i9y h MET 42 N 0.30 0.00 0.04 2.45 2.86 -0.46 0.13 114.93 120.25 2i9y h MET 42 Ca -0.11 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.27 2i9y h MET 42 Cb 1.66 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.30 2i9y h MET 42 CO 0.19 0.27 -1.32 0.35 1.06 0.00 0.00 176.91 177.46 2i9y h PHE 43 N 0.00 0.16 0.00 -0.22 3.57 -1.20 -3.38 116.94 115.87 2i9y h PHE 43 Ca -0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2i9y h PHE 43 Cb 0.93 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2i9y h PHE 43 CO 0.00 1.13 -0.21 0.00 -2.23 0.00 0.00 178.31 177.00 2i9y n ALA 44 N -2.50 0.18 -2.70 2.41 0.00 -0.88 -4.72 120.51 112.31 2i9y n ALA 44 Ca -0.09 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 2i9y n ALA 44 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.46 2i9y n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i9y n GLY 45 N 1.54 4.11 3.77 0.00 0.00 0.44 -4.99 105.19 110.06 2i9y n GLY 45 Ca -0.03 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 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 0.70 4.33 0.45 1.61 1.02 -1.25 -4.48 119.74 122.12 2i9y s LYS 46 Ca 0.40 2.25 -0.08 0.00 0.02 0.00 0.00 55.97 58.56 2i9y s LYS 46 Cb 0.03 -3.06 0.11 0.00 -0.52 0.00 0.00 37.83 34.38 2i9y s LYS 46 CO 0.01 -0.22 0.49 -0.35 -0.92 0.00 0.00 175.35 174.36 2i9y n PRO 47 N 0.77 -1.22 0.09 -1.68 -0.04 -1.26 -4.95 135.00 126.71 2i9y n PRO 47 Ca 0.00 -0.77 -0.05 0.00 -0.04 0.00 0.00 63.50 62.64 2i9y n PRO 47 Cb 0.42 -0.61 0.11 0.00 -0.04 0.00 0.00 33.50 33.38 2i9y n PRO 47 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2i9y h HIS 48 N -1.67 0.27 -4.24 0.54 -0.00 -2.04 -3.49 115.15 104.52 2i9y h HIS 48 Ca -0.17 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2i9y h HIS 48 Cb 0.49 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 2i9y h HIS 48 CO 0.00 0.79 -0.95 1.58 -0.00 0.00 0.00 177.93 179.35 2i9y n HIS 49 N -3.83 -3.56 -1.81 5.26 -0.00 -1.26 -4.90 115.22 105.11 2i9y n HIS 49 Ca -0.02 2.10 -0.41 0.00 0.46 0.00 0.00 57.72 59.85 2i9y n HIS 49 Cb 0.64 -3.38 -0.01 0.00 -0.12 0.00 0.00 29.99 27.12 2i9y n HIS 49 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2i9y s VAL 50 N -0.47 2.10 -0.74 3.57 -7.23 -1.26 -4.86 120.40 111.51 2i9y s VAL 50 Ca -0.09 0.09 -0.26 0.00 -1.81 0.00 0.00 61.98 59.91 2i9y s VAL 50 Cb 0.01 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 2i9y s VAL 50 CO 0.25 0.02 1.64 -0.55 -0.31 0.00 0.00 175.10 176.15 2i9y s SER 51 N 0.15 5.67 -0.09 4.85 0.15 -1.26 -4.77 113.70 118.41 2i9y s SER 51 Ca 0.58 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.95 2i9y s SER 51 Cb -0.47 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.29 2i9y s SER 51 CO 0.55 -2.16 -0.05 0.11 1.20 0.00 0.00 173.24 172.89 2i9y h LYS 52 N 12.30 0.00 -0.04 5.44 1.57 -2.02 -3.48 116.57 130.33 2i9y h LYS 52 Ca -0.17 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 58.89 2i9y h LYS 52 Cb 1.09 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.21 2i9y h LYS 52 CO 1.26 0.00 0.17 0.00 -0.57 0.00 0.00 179.45 180.31 2i9y s ALA 53 N -2.69 -4.31 -0.26 3.86 0.00 -1.26 -5.15 121.76 111.95 2i9y s ALA 53 Ca -0.04 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2i9y s ALA 53 Cb 0.01 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.35 2i9y s ALA 53 CO 0.06 -1.94 -0.10 -1.54 0.00 0.00 0.00 175.76 172.24 2i9y s SER 54 N 2.99 4.37 0.30 0.00 1.04 -1.26 -4.97 113.70 116.17 2i9y s SER 54 Ca 0.17 -1.26 0.26 0.00 0.48 0.00 0.00 55.95 55.61 2i9y s SER 54 Cb -0.03 -1.58 0.96 0.00 0.10 0.00 0.00 66.02 65.47 2i9y s SER 54 CO -0.17 -0.18 1.76 1.55 0.98 0.00 0.00 173.24 177.19 2i9y h PRO 55 N 7.85 0.00 0.00 4.02 0.13 -2.01 -3.47 132.00 138.52 2i9y h PRO 55 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2i9y h PRO 55 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2i9y h PRO 55 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 2i9y n GLY 56 N 0.40 1.76 2.75 1.56 0.00 -1.26 -4.73 105.19 105.67 2i9y n GLY 56 Ca 0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.92 -0.07 1.61 -0.87 -1.26 -1.43 114.94 113.84 2i9y s ASN 57 Ca 0.00 0.19 -0.11 0.00 -1.57 0.00 0.00 52.86 51.37 2i9y s ASN 57 Cb 0.00 0.04 -0.04 0.00 -0.02 0.00 0.00 41.25 41.24 2i9y s ASN 57 CO 0.00 -0.24 -0.21 2.30 -2.57 0.00 0.00 177.10 176.38 2i9y n ILE 58 N 5.25 1.36 -3.41 0.60 -5.35 -0.58 -4.83 119.36 112.39 2i9y n ILE 58 Ca -0.05 0.25 -0.21 0.00 -0.27 0.00 0.00 62.75 62.47 2i9y n ILE 58 Cb 0.50 -2.03 -0.10 0.00 -1.74 0.00 0.00 39.64 36.27 2i9y n ILE 58 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2i9y s GLN 59 N -2.50 0.50 0.00 6.28 -0.21 -1.26 -4.85 119.66 117.61 2i9y s GLN 59 Ca -0.17 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.42 2i9y s GLN 59 Cb 0.02 -0.90 0.00 0.00 1.00 0.00 0.00 33.01 33.14 2i9y s GLN 59 CO 0.25 -1.15 0.00 0.41 -2.12 0.00 0.00 175.29 172.69 2i9y n GLY 60 N 4.52 2.75 0.00 3.09 0.00 -1.26 -2.87 105.19 111.42 2i9y n GLY 60 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2i9y n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9y n ASP 62 N -0.48 0.00 -4.60 0.00 2.03 -0.65 -1.53 116.55 111.32 2i9y n ASP 62 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2i9y n ASP 62 Cb 0.00 0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 2i9y n ASP 62 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2i9y s LEU 63 N -4.64 3.64 -0.51 -2.67 1.98 -0.51 -4.94 118.68 111.03 2i9y s LEU 63 Ca 0.00 0.72 -0.28 0.00 -2.89 0.00 0.00 54.13 51.68 2i9y s LEU 63 Cb 0.00 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.32 2i9y s LEU 63 CO 0.00 -1.32 1.41 -1.00 -1.89 0.00 0.00 176.35 173.55 2i9y s HIS 64 N 4.90 2.34 -0.08 5.38 3.76 -1.26 -4.77 115.29 125.55 2i9y s HIS 64 Ca 0.55 0.56 0.12 0.00 -0.15 0.00 0.00 55.06 56.14 2i9y s HIS 64 Cb -0.11 -4.36 -0.18 0.00 1.11 0.00 0.00 32.58 29.04 2i9y s HIS 64 CO 0.31 -1.95 0.14 -0.85 -0.85 0.00 0.00 174.74 171.54 2i9y n GLU 65 N 8.42 1.37 -0.19 1.40 0.00 -1.26 -5.01 120.64 125.38 2i9y n GLU 65 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.25 2i9y n GLU 65 Cb 0.49 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.61 2i9y n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2i9y n GLY 66 N 2.04 1.21 0.39 -1.84 0.00 -1.26 -4.96 105.19 100.76 2i9y n GLY 66 Ca -0.14 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 45.99 2i9y n GLY 66 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2i9y h ASP 67 N 0.00 0.45 -0.41 1.61 3.58 -1.94 -0.50 116.42 119.21 2i9y h ASP 67 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2i9y h ASP 67 Cb 0.08 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2i9y h ASP 67 CO 0.00 0.21 0.00 0.79 -2.88 0.00 0.00 179.24 177.36 2i9y n TRP 68 N -4.51 0.88 -0.74 0.28 8.01 -1.26 -4.84 117.44 115.26 2i9y n TRP 68 Ca 0.17 -0.36 0.00 0.00 -1.31 0.00 0.00 57.50 56.00 2i9y n TRP 68 Cb 0.58 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 2i9y n TRP 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2i9y n GLY 69 N 0.86 0.61 5.17 6.99 0.00 -0.20 -4.31 105.19 114.31 2i9y n GLY 69 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2i9y n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2i9y n THR 70 N -2.74 0.00 -2.33 2.61 -1.04 -1.22 -4.82 114.28 104.74 2i9y n THR 70 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2i9y n THR 70 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2i9y n THR 70 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2i9y s VAL 71 N 0.00 3.93 0.00 12.58 1.01 -1.26 -2.20 120.40 134.46 2i9y s VAL 71 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2i9y s VAL 71 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2i9y s VAL 71 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2i9y n GLY 72 N 3.49 0.50 3.76 4.51 0.00 -0.63 -5.00 105.19 111.82 2i9y n GLY 72 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.89 6.59 -0.17 1.61 0.15 -0.93 -4.66 113.70 113.41 2i9y s SER 73 Ca 0.00 2.77 -0.01 0.00 0.70 0.00 0.00 55.95 59.41 2i9y s SER 73 Cb 0.00 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2i9y s SER 73 CO 0.00 -0.72 -0.03 -0.63 1.20 0.00 0.00 173.24 173.06 2i9y s ILE 74 N -0.41 1.00 0.05 6.45 1.01 -1.26 -0.86 121.20 127.18 2i9y s ILE 74 Ca 0.57 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 2i9y s ILE 74 Cb -0.43 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2i9y s ILE 74 CO 0.49 0.05 -0.03 0.54 0.00 0.00 0.00 174.94 175.99 2i9y s VAL 75 N 1.67 0.27 0.08 2.92 0.11 -1.26 -4.89 120.40 119.29 2i9y s VAL 75 Ca 0.00 -1.74 0.10 0.00 -2.93 0.00 0.00 61.98 57.41 2i9y s VAL 75 Cb -0.16 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 2i9y s VAL 75 CO -0.07 -0.94 -0.26 -0.36 -3.33 0.00 0.00 175.10 170.14 2i9y s PHE 76 N -3.64 2.27 0.15 1.54 0.08 -1.14 -3.75 117.98 113.49 2i9y s PHE 76 Ca 0.05 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.79 2i9y s PHE 76 Cb 0.06 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 2i9y s PHE 76 CO -0.09 0.20 -0.19 1.67 -0.10 0.00 0.00 175.22 176.72 2i9y s TRP 77 N -0.90 1.81 -0.13 0.36 -2.14 -0.84 -4.53 118.94 112.57 2i9y s TRP 77 Ca 0.12 -0.46 -0.02 0.00 2.66 0.00 0.00 56.10 58.40 2i9y s TRP 77 Cb -0.10 -0.92 -0.02 0.00 -3.10 0.00 0.00 33.47 29.33 2i9y s TRP 77 CO 0.03 0.31 -0.07 -0.80 -2.66 0.00 0.00 176.95 173.77 2i9y s ASN 78 N -2.55 4.57 0.05 -2.66 0.01 -1.26 -0.14 114.94 112.96 2i9y s ASN 78 Ca 0.14 -0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 52.11 2i9y s ASN 78 Cb -0.06 -1.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 2i9y s ASN 78 CO 0.06 0.21 0.01 -0.72 -1.51 0.00 0.00 177.10 175.15 2i9y s TYR 79 N 0.12 0.39 -0.26 2.20 1.13 0.26 -5.00 117.35 116.19 2i9y s TYR 79 Ca -0.03 -0.85 -0.07 0.00 -1.41 0.00 0.00 57.07 54.71 2i9y s TYR 79 Cb -0.14 -0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 40.41 2i9y s TYR 79 CO 0.03 -0.36 0.07 0.08 -2.51 0.00 0.00 175.55 172.86 2i9y s VAL 80 N -3.32 4.21 -0.08 -3.49 1.01 -1.26 -0.19 120.40 117.28 2i9y s VAL 80 Ca 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2i9y s VAL 80 Cb 0.03 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.41 2i9y s VAL 80 CO -0.08 0.28 -0.12 -2.28 0.00 0.00 0.00 175.10 172.90 2i9y s HIS 81 N 1.59 1.57 -1.51 5.22 5.04 0.78 -4.67 115.29 123.30 2i9y s HIS 81 Ca 0.06 -0.65 0.00 0.00 -1.54 0.00 0.00 55.06 52.92 2i9y s HIS 81 Cb -0.16 -1.17 0.00 0.00 0.04 0.00 0.00 32.58 31.29 2i9y s HIS 81 CO 0.03 -0.36 0.00 -3.47 -2.34 0.00 0.00 174.74 168.60 2i9y n ASP 82 N 4.09 -5.10 0.00 9.88 2.03 -1.26 -0.86 116.55 125.34 2i9y n ASP 82 Ca -0.20 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2i9y n ASP 82 Cb 0.51 -4.18 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 2i9y n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i9y n GLY 83 N -1.00 0.82 3.86 0.27 0.00 -1.26 -5.00 105.19 102.87 2i9y n GLY 83 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.15 3.15 -0.32 1.61 0.41 -0.04 -5.07 118.70 118.29 2i9y s GLU 84 Ca 0.00 -0.71 -0.26 0.00 -0.41 0.00 0.00 54.97 53.59 2i9y s GLU 84 Cb 0.00 -2.81 0.01 0.00 -1.78 0.00 0.00 34.13 29.55 2i9y s GLU 84 CO 0.00 0.52 0.91 0.00 -0.49 0.00 0.00 175.26 176.19 2i9y s ALA 85 N -1.69 3.50 0.04 5.21 0.00 -1.26 -0.16 121.76 127.40 2i9y s ALA 85 Ca 0.32 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.06 2i9y s ALA 85 Cb -0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2i9y s ALA 85 CO 0.26 -1.36 -0.21 0.15 0.00 0.00 0.00 175.76 174.59 2i9y s LYS 86 N 3.27 2.00 -0.11 0.00 3.01 0.74 -4.94 119.74 123.70 2i9y s LYS 86 Ca 0.38 -1.01 0.02 0.00 -1.01 0.00 0.00 55.97 54.34 2i9y s LYS 86 Cb -0.13 -2.12 -0.01 0.00 -1.01 0.00 0.00 37.83 34.56 2i9y s LYS 86 CO 0.14 0.53 -0.16 0.08 0.51 0.00 0.00 175.35 176.45 2i9y s VAL 87 N -0.86 2.77 -0.27 3.17 1.01 -1.26 -0.57 120.40 124.38 2i9y s VAL 87 Ca 0.13 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 2i9y s VAL 87 Cb -0.10 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2i9y s VAL 87 CO 0.04 0.54 0.06 0.00 0.00 0.00 0.00 175.10 175.73 2i9y s ALA 88 N 0.20 3.04 -0.23 5.51 0.00 0.80 -4.68 121.76 126.40 2i9y s ALA 88 Ca -0.10 -1.35 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 2i9y s ALA 88 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2i9y s ALA 88 CO 0.06 -0.77 0.09 0.15 0.00 0.00 0.00 175.76 175.29 2i9y s LYS 89 N 1.51 3.85 0.19 0.00 1.02 -1.09 -1.99 119.74 123.23 2i9y s LYS 89 Ca 0.04 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 55.70 2i9y s LYS 89 Cb -0.16 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2i9y s LYS 89 CO 0.02 0.01 -0.12 -1.83 -0.92 0.00 0.00 175.35 172.51 2i9y s GLU 90 N 1.12 1.23 -0.04 1.68 -1.05 -1.25 -1.85 118.70 118.54 2i9y s GLU 90 Ca 0.05 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 2i9y s GLU 90 Cb -0.14 -0.90 0.02 0.00 -0.44 0.00 0.00 34.13 32.67 2i9y s GLU 90 CO 0.04 0.13 -0.02 0.50 0.95 0.00 0.00 175.26 176.86 2i9y s ARG 91 N -3.70 0.55 -0.15 -4.83 3.52 0.54 -4.09 118.95 110.79 2i9y s ARG 91 Ca 0.21 0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.52 2i9y s ARG 91 Cb 0.01 -0.69 -0.01 0.00 -1.56 0.00 0.00 34.95 32.71 2i9y s ARG 91 CO 0.05 -0.14 1.06 0.42 -0.81 0.00 0.00 175.30 175.88 2i9y s ILE 92 N 1.11 4.66 -0.15 4.11 1.01 -0.04 -1.09 121.20 130.81 2i9y s ILE 92 Ca -0.08 1.96 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 2i9y s ILE 92 Cb -0.14 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.83 2i9y s ILE 92 CO -0.01 -0.08 0.27 -0.62 0.00 0.00 0.00 174.94 174.50 2i9y n GLU 93 N 5.63 0.72 -3.63 2.79 -0.58 -0.64 -1.60 120.64 123.33 2i9y n GLU 93 Ca 0.11 0.29 -0.14 0.00 -0.42 0.00 0.00 57.16 56.99 2i9y n GLU 93 Cb 0.47 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.53 -1.71 -0.12 0.62 0.00 -1.25 -4.71 121.76 112.06 2i9y s ALA 94 Ca -0.25 1.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 2i9y s ALA 94 Cb 0.07 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2i9y s ALA 94 CO 0.72 -0.33 0.26 0.54 0.00 0.00 0.00 175.76 176.95 2i9y s VAL 95 N 0.18 -0.27 -0.37 0.00 0.11 -1.26 -0.51 120.40 118.26 2i9y s VAL 95 Ca -0.01 0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 2i9y s VAL 95 Cb -0.04 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2i9y s VAL 95 CO 0.02 0.10 0.19 -1.61 -3.33 0.00 0.00 175.10 170.46 2i9y s GLU 96 N 1.99 2.70 0.10 1.54 0.41 0.13 -4.95 118.70 120.63 2i9y s GLU 96 Ca -0.03 -1.20 -0.18 0.00 -0.41 0.00 0.00 54.97 53.16 2i9y s GLU 96 Cb -0.11 -3.66 -0.06 0.00 -1.78 0.00 0.00 34.13 28.52 2i9y s GLU 96 CO -0.09 -0.75 1.59 -1.35 -0.49 0.00 0.00 175.26 174.18 2i9y h PRO 97 N 8.36 0.46 0.15 0.39 0.11 -1.97 0.03 132.00 139.54 2i9y h PRO 97 Ca -0.24 -0.11 -0.29 0.00 0.11 0.00 0.00 66.00 65.47 2i9y h PRO 97 Cb 1.09 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.16 2i9y h PRO 97 CO 0.67 0.55 -1.29 -0.44 -0.21 0.00 0.00 178.00 177.28 2i9y h ASP 98 N 0.30 0.56 0.76 -2.05 3.32 -1.95 -3.23 116.42 114.12 2i9y h ASP 98 Ca 0.09 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2i9y h ASP 98 Cb 0.29 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2i9y h ASP 98 CO 0.00 1.45 -0.33 0.29 -1.72 0.00 0.00 179.24 178.94 2i9y n LYS 99 N -3.60 0.05 -3.31 3.56 5.02 -1.24 -4.97 118.16 113.66 2i9y n LYS 99 Ca -0.11 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 2i9y n LYS 99 Cb 1.03 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 2i9y n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2i9y n ASN 100 N -1.61 -6.78 -4.00 4.39 5.15 -0.08 -4.83 115.26 107.50 2i9y n ASN 100 Ca 0.06 -0.40 -0.16 0.00 -0.60 0.00 0.00 54.58 53.47 2i9y n ASN 100 Cb 0.35 -4.16 -0.14 0.00 -0.53 0.00 0.00 39.78 35.31 2i9y n ASN 100 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2i9y s LEU 101 N -4.47 2.06 -0.17 1.20 2.96 -0.72 -3.31 118.68 116.24 2i9y s LEU 101 Ca 0.04 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2i9y s LEU 101 Cb -0.01 -0.30 0.08 0.00 0.50 0.00 0.00 46.19 46.46 2i9y s LEU 101 CO 0.80 0.02 0.36 -0.51 -1.32 0.00 0.00 176.35 175.70 2i9y s ILE 102 N -0.40 -0.44 -0.29 6.68 1.10 -0.48 0.20 121.20 127.56 2i9y s ILE 102 Ca 0.00 0.19 -0.11 0.00 -0.51 0.00 0.00 60.65 60.21 2i9y s ILE 102 Cb -0.04 -0.58 -0.04 0.00 0.15 0.00 0.00 42.46 41.95 2i9y s ILE 102 CO -0.00 0.08 0.20 -0.89 -2.11 0.00 0.00 174.94 172.21 2i9y s THR 103 N 2.27 5.26 -0.20 4.00 2.01 0.33 -0.58 115.64 128.73 2i9y s THR 103 Ca -0.03 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 2i9y s THR 103 Cb -0.11 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2i9y s THR 103 CO -0.11 0.19 0.07 -0.36 -0.69 0.00 0.00 174.62 173.71 2i9y s PHE 104 N 1.74 3.21 -0.09 4.92 0.08 0.12 -1.63 117.98 126.34 2i9y s PHE 104 Ca 0.07 -0.01 -0.00 0.00 0.12 0.00 0.00 56.93 57.10 2i9y s PHE 104 Cb -0.16 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2i9y s PHE 104 CO 0.11 0.05 -0.06 0.50 -0.10 0.00 0.00 175.22 175.72 2i9y s ARG 105 N 0.63 2.98 -0.06 0.44 3.52 -0.25 -0.69 118.95 125.52 2i9y s ARG 105 Ca 0.03 -0.54 -0.22 0.00 -0.13 0.00 0.00 55.73 54.88 2i9y s ARG 105 Cb -0.13 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 2i9y s ARG 105 CO 0.01 0.56 0.65 0.54 -0.81 0.00 0.00 175.30 176.26 2i9y s VAL 106 N -0.53 5.03 -0.10 7.11 0.11 -0.80 -0.34 120.40 130.89 2i9y s VAL 106 Ca 0.08 1.35 0.17 0.00 -2.93 0.00 0.00 61.98 60.64 2i9y s VAL 106 Cb -0.12 -3.99 -0.24 0.00 -1.53 0.00 0.00 36.38 30.50 2i9y s VAL 106 CO 0.02 0.29 0.22 2.30 -3.33 0.00 0.00 175.10 174.60 2i9y n ILE 107 N 3.56 0.60 -3.66 7.04 -0.00 -0.77 -4.79 119.36 121.34 2i9y n ILE 107 Ca -0.03 -0.57 -0.14 0.00 -0.00 0.00 0.00 62.75 62.01 2i9y n ILE 107 Cb 0.51 -0.25 -0.08 0.00 -0.00 0.00 0.00 39.64 39.82 2i9y n ILE 107 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2i9y s GLU 108 N -2.81 0.73 0.00 6.28 2.12 -1.25 -5.07 118.70 118.70 2i9y s GLU 108 Ca -0.08 0.69 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2i9y s GLU 108 Cb 0.08 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.82 2i9y s GLU 108 CO 0.72 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 2i9y n GLY 109 N 2.45 1.15 0.21 -1.50 0.00 -1.26 -2.68 105.19 103.56 2i9y n GLY 109 Ca -0.15 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 44.99 2i9y n GLY 109 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2i9y h ASP 110 N 0.00 0.00 -0.07 1.61 3.04 -2.01 -2.30 116.42 116.69 2i9y h ASP 110 Ca 0.00 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.81 2i9y h ASP 110 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2i9y h ASP 110 CO 0.00 0.29 0.08 -0.07 -2.04 0.00 0.00 179.24 177.51 2i9y h LEU 111 N 0.00 0.00 0.00 0.15 3.38 -1.94 -0.69 115.31 116.21 2i9y h LEU 111 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i9y h LEU 111 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2i9y h LEU 111 CO 0.04 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.80 2i9y n MET 112 N -3.76 0.18 0.02 1.13 2.81 -0.87 -0.20 117.12 116.44 2i9y n MET 112 Ca -0.01 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 2i9y n MET 112 Cb 0.18 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.38 2i9y n MET 112 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2i9y n LYS 113 N -1.35 0.13 -0.00 0.03 4.76 -0.27 -4.28 118.16 117.18 2i9y n LYS 113 Ca 0.07 0.02 -0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2i9y n LYS 113 Cb 0.17 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2i9y n LYS 113 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2i9y n GLU 114 N -1.75 2.52 -5.12 1.97 1.02 -0.81 -4.99 120.64 113.49 2i9y n GLU 114 Ca 0.04 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.88 2i9y n GLU 114 Cb 0.38 -1.00 -0.16 0.00 -0.02 0.00 0.00 31.44 30.63 2i9y n GLU 114 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2i9y s TYR 115 N -2.00 2.23 -0.98 -0.32 2.02 0.72 -2.65 117.35 116.37 2i9y s TYR 115 Ca -0.00 -0.72 0.28 0.00 -0.37 0.00 0.00 57.07 56.25 2i9y s TYR 115 Cb 0.00 -1.49 1.02 0.00 -0.40 0.00 0.00 41.96 41.10 2i9y s TYR 115 CO 0.00 -0.25 1.78 0.36 -1.57 0.00 0.00 175.55 175.88 2i9y n LYS 116 N 3.16 0.01 -3.66 -0.62 2.85 -0.38 -3.80 118.16 115.73 2i9y n LYS 116 Ca -0.18 0.01 -0.15 0.00 -1.05 0.00 0.00 58.31 56.94 2i9y n LYS 116 Cb 0.52 -1.51 -0.08 0.00 -0.65 0.00 0.00 35.03 33.31 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 -3.08 -0.50 -0.21 -5.58 0.15 -1.26 -4.97 113.70 98.26 2i9y s SER 117 Ca 0.13 0.75 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 2i9y s SER 117 Cb 0.18 0.77 0.10 0.00 -1.71 0.00 0.00 66.02 65.36 2i9y s SER 117 CO 0.58 -0.37 0.29 0.12 1.20 0.00 0.00 173.24 175.07 2i9y s PHE 118 N -0.50 -0.52 -0.04 3.44 5.36 -1.26 -2.64 117.98 121.81 2i9y s PHE 118 Ca -0.06 0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 2i9y s PHE 118 Cb -0.03 -0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.51 2i9y s PHE 118 CO 0.04 -0.61 -0.11 -1.17 -1.46 0.00 0.00 175.22 171.91 2i9y s LEU 119 N 2.43 1.74 -0.06 6.12 2.96 0.72 -1.91 118.68 130.68 2i9y s LEU 119 Ca 0.08 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2i9y s LEU 119 Cb -0.15 -0.70 0.04 0.00 0.50 0.00 0.00 46.19 45.88 2i9y s LEU 119 CO -0.13 0.07 0.13 -1.48 -1.32 0.00 0.00 176.35 173.61 2i9y s LEU 120 N 0.34 0.30 -0.20 -0.68 2.34 0.13 0.23 118.68 121.14 2i9y s LEU 120 Ca -0.07 0.25 -0.05 0.00 0.06 0.00 0.00 54.13 54.32 2i9y s LEU 120 Cb -0.12 0.19 -0.02 0.00 -0.56 0.00 0.00 46.19 45.68 2i9y s LEU 120 CO 0.02 -0.21 -0.01 -0.89 -1.06 0.00 0.00 176.35 174.20 2i9y s THR 121 N 1.84 3.87 0.04 5.48 2.01 0.24 0.14 115.64 129.26 2i9y s THR 121 Ca -0.01 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.72 2i9y s THR 121 Cb -0.12 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 2i9y s THR 121 CO -0.05 0.43 -0.22 0.27 -0.69 0.00 0.00 174.62 174.37 2i9y s ILE 122 N 1.00 2.52 -0.04 1.82 -4.36 0.26 -1.38 121.20 121.02 2i9y s ILE 122 Ca 0.01 -1.28 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 2i9y s ILE 122 Cb -0.14 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.55 2i9y s ILE 122 CO 0.01 0.34 0.09 -1.58 0.24 0.00 0.00 174.94 174.05 2i9y s GLN 123 N -1.37 0.07 -0.16 0.37 0.74 -0.93 -1.39 119.66 116.99 2i9y s GLN 123 Ca 0.13 0.21 -0.07 0.00 0.05 0.00 0.00 55.36 55.68 2i9y s GLN 123 Cb -0.10 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.89 2i9y s GLN 123 CO 0.04 -0.09 0.07 0.08 -0.55 0.00 0.00 175.29 174.84 2i9y s VAL 124 N 0.58 4.86 0.07 1.34 1.01 -1.21 -0.54 120.40 126.52 2i9y s VAL 124 Ca -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2i9y s VAL 124 Cb -0.06 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2i9y s VAL 124 CO -0.02 0.50 -0.14 0.28 0.00 0.00 0.00 175.10 175.71 2i9y s THR 125 N 0.06 1.13 0.91 3.92 -1.32 0.37 -4.81 115.64 115.89 2i9y s THR 125 Ca 0.06 -1.29 -0.12 0.00 -1.21 0.00 0.00 61.69 59.13 2i9y s THR 125 Cb -0.12 -1.08 0.08 0.00 -1.51 0.00 0.00 72.50 69.86 2i9y s THR 125 CO 0.01 -0.20 0.77 -0.81 -2.21 0.00 0.00 174.62 172.18 2i9y n PRO 126 N 1.32 -0.25 -2.93 7.08 -0.04 -1.26 0.73 135.00 139.64 2i9y n PRO 126 Ca -0.21 -0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 62.86 2i9y n PRO 126 Cb 0.54 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 2i9y n PRO 126 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2i9y s LYS 127 N -3.98 4.52 0.12 0.54 1.02 -0.34 -4.23 119.74 117.39 2i9y s LYS 127 Ca 0.63 1.17 -0.18 0.00 0.02 0.00 0.00 55.97 57.61 2i9y s LYS 127 Cb -0.24 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2i9y s LYS 127 CO 0.61 0.43 1.73 -1.35 -0.92 0.00 0.00 175.35 175.85 2i9y h PRO 128 N 3.72 0.42 -2.77 -1.68 0.11 -1.94 -3.38 132.00 126.49 2i9y h PRO 128 Ca -0.47 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 64.99 2i9y h PRO 128 Cb 1.20 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.83 2i9y h PRO 128 CO 0.66 0.36 -0.79 0.20 -0.21 0.00 0.00 178.00 178.22 2i9y s GLY 129 N -2.65 1.73 0.00 -0.55 0.00 -1.26 -5.05 107.32 99.54 2i9y s GLY 129 Ca -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 44.72 41.82 2i9y s GLY 129 CO 0.72 1.68 0.00 0.61 0.00 0.00 0.00 173.10 176.11 2i9y n GLY 130 N 3.00 4.76 3.65 0.20 0.00 -1.26 -5.07 105.19 110.47 2i9y n GLY 130 Ca 0.18 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.36 4.08 0.00 1.61 0.04 -1.26 -4.28 135.00 130.84 2i9y s PRO 131 Ca 0.00 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2i9y s PRO 131 Cb 0.00 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2i9y s PRO 131 CO 0.00 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2i9y n GLY 132 N 4.31 -0.20 3.29 0.56 0.00 -1.25 -4.69 105.19 107.21 2i9y n GLY 132 Ca 0.18 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.00 -0.23 -0.25 1.61 0.01 0.26 -1.20 113.70 109.90 2i9y s SER 133 Ca 0.00 0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.19 2i9y s SER 133 Cb 0.00 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.56 2i9y s SER 133 CO 0.00 -0.57 0.15 -0.63 0.41 0.00 0.00 173.24 172.60 2i9y s ILE 134 N -1.99 5.20 -0.23 1.44 1.09 0.22 -0.00 121.20 126.92 2i9y s ILE 134 Ca -0.09 0.13 -0.12 0.00 -1.10 0.00 0.00 60.65 59.47 2i9y s ILE 134 Cb -0.02 -3.43 -0.05 0.00 -1.06 0.00 0.00 42.46 37.90 2i9y s ILE 134 CO 0.01 0.33 0.25 0.54 -0.10 0.00 0.00 174.94 175.96 2i9y s VAL 135 N 1.26 5.29 -0.42 2.92 0.11 0.34 -0.48 120.40 129.43 2i9y s VAL 135 Ca 0.07 0.36 -0.22 0.00 -2.93 0.00 0.00 61.98 59.26 2i9y s VAL 135 Cb -0.14 -3.58 0.02 0.00 -1.53 0.00 0.00 36.38 31.14 2i9y s VAL 135 CO 0.06 0.30 0.73 -1.00 -3.33 0.00 0.00 175.10 171.86 2i9y s HIS 136 N 1.26 3.05 -0.27 1.54 3.76 0.30 -1.57 115.29 123.37 2i9y s HIS 136 Ca 0.11 0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 55.06 2i9y s HIS 136 Cb -0.14 -3.47 -0.02 0.00 1.11 0.00 0.00 32.58 30.05 2i9y s HIS 136 CO 0.06 -0.86 0.54 -1.58 -0.85 0.00 0.00 174.74 172.05 2i9y s TRP 137 N 3.08 3.26 -0.29 1.40 0.52 0.54 -2.18 118.94 125.26 2i9y s TRP 137 Ca 0.28 0.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.01 2i9y s TRP 137 Cb -0.13 -2.78 0.05 0.00 -1.15 0.00 0.00 33.47 29.46 2i9y s TRP 137 CO 0.20 -0.32 -0.02 -1.58 0.02 0.00 0.00 176.95 175.24 2i9y s HIS 138 N 2.37 3.25 -0.10 -1.98 2.46 -0.48 -1.55 115.29 119.27 2i9y s HIS 138 Ca 0.22 -1.91 0.00 0.00 0.47 0.00 0.00 55.06 53.85 2i9y s HIS 138 Cb -0.16 -2.08 -0.02 0.00 -0.13 0.00 0.00 32.58 30.19 2i9y s HIS 138 CO 0.10 -0.81 -0.10 -0.51 -2.47 0.00 0.00 174.74 170.95 2i9y s LEU 139 N 1.24 2.96 -0.06 8.88 1.02 0.15 -0.59 118.68 132.28 2i9y s LEU 139 Ca -0.05 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.94 2i9y s LEU 139 Cb -0.20 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.38 2i9y s LEU 139 CO -0.02 0.27 -0.08 -1.61 0.02 0.00 0.00 176.35 174.94 2i9y s GLU 140 N -0.26 1.25 0.24 1.70 2.02 0.13 -0.56 118.70 123.22 2i9y s GLU 140 Ca 0.03 -0.23 -0.13 0.00 0.02 0.00 0.00 54.97 54.66 2i9y s GLU 140 Cb -0.13 -1.17 -0.00 0.00 0.10 0.00 0.00 34.13 32.92 2i9y s GLU 140 CO 0.03 -0.08 0.46 1.52 0.02 0.00 0.00 175.26 177.20 2i9y s TYR 141 N 1.02 0.36 -0.06 1.61 -0.85 0.35 -0.20 117.35 119.57 2i9y s TYR 141 Ca -0.09 -0.71 0.02 0.00 -0.52 0.00 0.00 57.07 55.77 2i9y s TYR 141 Cb -0.14 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.38 2i9y s TYR 141 CO -0.00 -0.96 -0.10 -2.00 -1.52 0.00 0.00 175.55 170.96 2i9y s GLU 142 N -4.01 1.48 0.19 -3.49 2.56 -1.08 -3.21 118.70 111.14 2i9y s GLU 142 Ca 0.22 -0.33 -0.30 0.00 0.00 0.00 0.00 54.97 54.55 2i9y s GLU 142 Cb -0.00 -1.27 -0.08 0.00 2.00 0.00 0.00 34.13 34.77 2i9y s GLU 142 CO 0.08 -0.01 1.15 0.15 -0.56 0.00 0.00 175.26 176.07 2i9y s LYS 143 N 0.76 4.54 0.09 4.30 3.01 -1.25 -1.24 119.74 129.94 2i9y s LYS 143 Ca -0.13 1.80 -0.12 0.00 -1.01 0.00 0.00 55.97 56.52 2i9y s LYS 143 Cb -0.15 -3.25 -0.20 0.00 -1.01 0.00 0.00 37.83 33.22 2i9y s LYS 143 CO 0.02 -0.00 1.22 0.82 0.51 0.00 0.00 175.35 177.92 2i9y h ILE 144 N 3.70 1.30 -3.23 2.17 2.04 -1.86 -3.45 117.51 118.19 2i9y h ILE 144 Ca -0.45 -2.28 -0.05 0.00 1.00 0.00 0.00 64.86 63.08 2i9y h ILE 144 Cb 1.21 2.37 -0.14 0.00 -0.74 0.00 0.00 36.82 39.53 2i9y h ILE 144 CO 0.73 0.70 -0.03 -0.55 0.00 0.00 0.00 178.15 179.00 2i9y s SER 145 N -7.24 -0.31 0.03 1.72 0.15 -1.26 -5.07 113.70 101.71 2i9y s SER 145 Ca -0.09 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.17 2i9y s SER 145 Cb 0.07 0.49 -0.12 0.00 -1.71 0.00 0.00 66.02 64.75 2i9y s SER 145 CO 0.91 -0.83 1.19 -0.33 1.20 0.00 0.00 173.24 175.38 2i9y h GLU 146 N 2.44 -0.73 0.00 5.44 5.08 -1.90 -3.22 114.58 121.70 2i9y h GLU 146 Ca -0.33 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2i9y h GLU 146 Cb 1.25 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 2i9y h GLU 146 CO 0.45 -0.49 -0.01 0.93 -1.00 0.00 0.00 179.01 178.89 2i9y h GLU 147 N -0.83 0.00 0.00 2.33 5.08 -1.98 -2.23 114.58 116.94 2i9y h GLU 147 Ca -0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2i9y h GLU 147 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2i9y h GLU 147 CO 0.13 0.01 -0.63 -0.39 -1.00 0.00 0.00 179.01 177.12 2i9y h VAL 148 N 0.00 0.92 -3.50 3.13 -1.51 -1.91 -3.45 116.25 109.93 2i9y h VAL 148 Ca -0.00 -2.32 -0.53 0.00 -1.23 0.00 0.00 66.70 62.62 2i9y h VAL 148 Cb 0.07 2.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 2i9y h VAL 148 CO 0.00 0.52 -0.04 0.00 -1.23 0.00 0.00 177.57 176.82 2i9y s ALA 149 N -2.93 3.50 -0.43 5.19 0.00 -0.84 -4.72 121.76 121.52 2i9y s ALA 149 Ca 0.03 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.87 2i9y s ALA 149 Cb 0.08 -2.56 0.15 0.00 0.00 0.00 0.00 23.12 20.78 2i9y s ALA 149 CO 0.76 0.44 0.27 -1.01 0.00 0.00 0.00 175.76 176.22 2i9y s HIS 150 N -1.77 1.57 0.58 0.00 3.76 -1.26 -4.99 115.29 113.18 2i9y s HIS 150 Ca 0.47 -2.24 0.32 0.00 -0.15 0.00 0.00 55.06 53.46 2i9y s HIS 150 Cb -0.12 -1.49 1.39 0.00 1.11 0.00 0.00 32.58 33.47 2i9y s HIS 150 CO 0.20 -0.79 1.71 -1.35 -0.85 0.00 0.00 174.74 173.66 2i9y h PRO 151 N 6.51 0.00 -0.96 8.40 0.11 -1.97 -0.46 132.00 143.63 2i9y h PRO 151 Ca 0.07 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.31 2i9y h PRO 151 Cb 0.92 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.95 2i9y h PRO 151 CO 0.42 0.00 0.61 1.05 -0.21 0.00 0.00 178.00 179.87 2i9y h GLU 152 N 0.00 0.85 -0.17 1.05 4.11 -2.01 -2.42 114.58 116.00 2i9y h GLU 152 Ca 0.43 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.75 2i9y h GLU 152 Cb 2.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2i9y h GLU 152 CO -0.00 0.56 -0.15 1.79 0.07 0.00 0.00 179.01 181.28 2i9y h THR 153 N 0.88 1.20 -0.10 -1.06 1.35 -1.51 -2.00 112.91 111.66 2i9y h THR 153 Ca 0.48 -0.88 -0.22 0.00 -0.55 0.00 0.00 66.41 65.24 2i9y h THR 153 Cb 0.58 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2i9y h THR 153 CO -0.25 0.27 -0.83 -0.07 -0.25 0.00 0.00 175.52 174.40 2i9y h LEU 154 N 0.25 0.83 -0.70 3.87 -0.00 -1.59 0.25 115.31 118.22 2i9y h LEU 154 Ca 0.05 -0.57 -0.08 0.00 -0.00 0.00 0.00 57.88 57.28 2i9y h LEU 154 Cb 0.43 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 2i9y h LEU 154 CO 0.03 1.36 0.13 -0.07 -0.00 0.00 0.00 178.44 179.89 2i9y h LEU 155 N 0.45 1.08 -0.32 1.67 3.38 -1.41 -0.28 115.31 119.88 2i9y h LEU 155 Ca -0.06 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.46 2i9y h LEU 155 Cb 1.45 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2i9y h LEU 155 CO 0.16 1.05 -0.70 1.56 0.09 0.00 0.00 178.44 180.60 2i9y h GLN 156 N 1.06 0.63 -0.62 1.13 4.20 -1.26 -2.94 115.11 117.31 2i9y h GLN 156 Ca 0.21 -0.48 0.04 0.00 0.06 0.00 0.00 58.65 58.48 2i9y h GLN 156 Cb 0.42 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 2i9y h GLN 156 CO 0.01 1.10 0.36 0.35 -0.67 0.00 0.00 178.83 179.98 2i9y h PHE 157 N 0.44 0.66 -0.30 2.96 3.57 -0.12 -0.89 116.94 123.26 2i9y h PHE 157 Ca -0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2i9y h PHE 157 Cb 1.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2i9y h PHE 157 CO 0.06 0.34 -0.08 0.00 -2.23 0.00 0.00 178.31 176.41 2i9y h VAL 159 N 0.46 1.06 -0.58 0.00 2.07 -1.09 -0.17 116.25 118.01 2i9y h VAL 159 Ca 0.09 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2i9y h VAL 159 Cb 0.42 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2i9y h VAL 159 CO 0.02 0.11 0.38 -0.33 0.02 0.00 0.00 177.57 177.77 2i9y h GLU 160 N -0.28 0.67 0.09 1.57 5.08 -0.88 0.04 114.58 120.87 2i9y h GLU 160 Ca -0.01 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 2i9y h GLU 160 Cb 0.24 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.37 2i9y h GLU 160 CO 0.01 0.44 -1.19 0.28 -1.00 0.00 0.00 179.01 177.56 2i9y h VAL 161 N 0.69 1.30 -0.36 3.13 2.07 -1.29 -3.28 116.25 118.49 2i9y h VAL 161 Ca 0.23 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 2i9y h VAL 161 Cb 0.07 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2i9y h VAL 161 CO -0.06 0.74 0.19 0.28 0.02 0.00 0.00 177.57 178.75 2i9y h SER 162 N 0.29 0.44 0.30 0.57 0.02 0.28 -2.24 113.55 113.21 2i9y h SER 162 Ca -0.17 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2i9y h SER 162 Cb 1.86 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 2i9y h SER 162 CO 0.23 0.36 -0.25 0.11 -1.14 0.00 0.00 176.83 176.14 2i9y h LYS 163 N 0.50 -0.54 0.10 3.45 1.57 -1.10 -1.71 116.57 118.84 2i9y h LYS 163 Ca 0.13 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2i9y h LYS 163 Cb 0.02 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2i9y h LYS 163 CO -0.02 -0.36 -0.05 1.49 -0.57 0.00 0.00 179.45 179.94 2i9y h GLU 164 N -0.56 -0.13 -0.36 3.15 4.57 -1.51 -1.87 114.58 117.86 2i9y h GLU 164 Ca -0.02 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2i9y h GLU 164 Cb 0.50 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2i9y h GLU 164 CO -0.02 -0.02 -0.08 0.97 -1.18 0.00 0.00 179.01 178.67 2i9y h ILE 165 N -0.20 1.28 -0.10 2.32 6.09 -1.42 -0.79 117.51 124.69 2i9y h ILE 165 Ca -0.01 -1.15 0.01 0.00 -1.37 0.00 0.00 64.86 62.33 2i9y h ILE 165 Cb 0.16 1.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.72 2i9y h ILE 165 CO 0.02 0.38 0.03 -0.78 -3.07 0.00 0.00 178.15 174.73 2i9y h ASP 166 N 0.50 0.03 0.42 2.19 3.58 -1.20 -0.31 116.42 121.62 2i9y h ASP 166 Ca 0.09 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 2i9y h ASP 166 Cb 0.59 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 2i9y h ASP 166 CO 0.04 0.03 -0.43 1.05 -2.88 0.00 0.00 179.24 177.05 2i9y h GLU 167 N 0.08 0.01 -0.24 0.28 4.11 -1.28 0.41 114.58 117.95 2i9y h GLU 167 Ca 0.04 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.32 2i9y h GLU 167 Cb 0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2i9y h GLU 167 CO -0.05 0.44 -0.45 1.25 0.07 0.00 0.00 179.01 180.28 2i9y h HIS 168 N 0.01 0.74 0.06 2.06 2.76 -0.69 0.41 115.15 120.50 2i9y h HIS 168 Ca -0.00 -0.23 -0.25 0.00 -2.20 0.00 0.00 60.37 57.69 2i9y h HIS 168 Cb 0.76 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2i9y h HIS 168 CO 0.00 0.95 -1.07 -0.07 -1.30 0.00 0.00 177.93 176.45 2i9y h LEU 169 N 0.50 0.50 0.21 0.26 3.38 -0.58 -3.32 115.31 116.25 2i9y h LEU 169 Ca 0.03 -0.45 -0.29 0.00 0.09 0.00 0.00 57.88 57.26 2i9y h LEU 169 Cb 0.97 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.59 2i9y h LEU 169 CO 0.09 1.29 -1.33 -0.07 0.09 0.00 0.00 178.44 178.50 2i9y h LEU 170 N 0.17 0.68 0.53 1.67 3.38 -0.93 -3.48 115.31 117.33 2i9y h LEU 170 Ca -0.10 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 56.71 2i9y h LEU 170 Cb 1.74 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 42.18 2i9y h LEU 170 CO 0.18 1.63 -0.20 0.00 0.09 0.00 0.00 178.44 180.14 2i9y n ALA 171 N -2.74 -0.17 -1.33 1.53 0.00 0.15 -4.77 120.51 113.18 2i9y n ALA 171 Ca -0.18 0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2i9y n ALA 171 Cb 1.01 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 2i9y n ALA 171 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i9y n GLU 172 N -0.78 -2.95 0.00 0.00 1.02 -1.26 -5.07 120.64 111.60 2i9y n GLU 172 Ca -0.11 2.28 0.10 0.00 -0.02 0.00 0.00 57.16 59.41 2i9y n GLU 172 Cb 0.59 -3.49 0.09 0.00 -0.02 0.00 0.00 31.44 28.61 2i9y n GLU 172 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70