#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9y n GLU 18 N 0.00 0.00 -3.61 -2.82 0.28 -1.26 -5.01 120.64 108.22 2i9y n GLU 18 Ca 0.00 -1.04 -0.22 0.00 -0.16 0.00 0.00 57.16 55.74 2i9y n GLU 18 Cb 0.00 -0.34 -0.16 0.00 1.43 0.00 0.00 31.44 32.36 2i9y n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i9y s ALA 19 N 0.00 0.20 0.21 -1.84 0.00 -1.26 -5.00 121.76 114.06 2i9y s ALA 19 Ca 0.05 -0.01 0.15 0.00 0.00 0.00 0.00 51.96 52.16 2i9y s ALA 19 Cb 0.06 -0.97 0.54 0.00 0.00 0.00 0.00 23.12 22.75 2i9y s ALA 19 CO -0.03 -0.97 1.68 0.77 0.00 0.00 0.00 175.76 177.22 2i9y h SER 20 N 8.40 0.00 -0.67 0.00 0.02 -2.01 -3.32 113.55 115.98 2i9y h SER 20 Ca -0.14 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2i9y h SER 20 Cb 1.14 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 2i9y h SER 20 CO 0.24 0.48 0.37 0.28 -1.14 0.00 0.00 176.83 177.05 2i9y h SER 21 N 0.00 0.54 0.00 3.07 0.02 -2.03 -3.45 113.55 111.70 2i9y h SER 21 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2i9y h SER 21 Cb 0.98 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2i9y h SER 21 CO 0.06 0.34 0.00 0.18 -1.14 0.00 0.00 176.83 176.28 2i9y n LEU 22 N -4.80 0.00 -4.72 5.07 4.77 -1.25 -4.89 117.00 111.18 2i9y n LEU 22 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2i9y n LEU 22 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2i9y n LEU 22 CO 0.29 0.00 0.89 -0.69 -1.33 0.00 0.00 177.39 176.55 2i9y s VAL 23 N 0.00 3.87 0.29 4.08 1.01 -1.26 -0.02 120.40 128.38 2i9y s VAL 23 Ca 0.00 1.39 -0.06 0.00 0.00 0.00 0.00 61.98 63.31 2i9y s VAL 23 Cb 0.00 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 2i9y s VAL 23 CO 0.00 0.14 0.45 -0.83 0.00 0.00 0.00 175.10 174.85 2i9y s GLY 24 N 0.82 1.12 0.07 4.51 0.00 0.28 -4.94 107.32 109.17 2i9y s GLY 24 Ca 0.58 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 44.01 2i9y s GLY 24 CO 0.31 -0.90 -0.05 0.54 0.00 0.00 0.00 173.10 173.00 2i9y s LYS 25 N -3.49 0.66 -0.03 2.90 1.02 -1.26 -1.60 119.74 117.94 2i9y s LYS 25 Ca 0.28 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 2i9y s LYS 25 Cb 0.00 -0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.28 2i9y s LYS 25 CO 0.15 -0.04 0.06 -1.17 -0.92 0.00 0.00 175.35 173.43 2i9y s LEU 26 N -2.60 0.89 -0.04 3.17 2.96 0.51 -5.00 118.68 118.57 2i9y s LEU 26 Ca 0.04 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2i9y s LEU 26 Cb 0.02 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.75 2i9y s LEU 26 CO -0.05 -0.15 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.08 2i9y s GLU 27 N 1.22 0.92 0.13 1.98 2.12 -1.26 0.14 118.70 123.95 2i9y s GLU 27 Ca -0.08 -0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 2i9y s GLU 27 Cb -0.13 -0.89 -0.01 0.00 0.26 0.00 0.00 34.13 33.37 2i9y s GLU 27 CO -0.04 -0.05 0.22 -0.08 -0.54 0.00 0.00 175.26 174.77 2i9y s THR 28 N 0.82 0.11 -0.04 -1.70 -1.32 -0.79 -5.01 115.64 107.72 2i9y s THR 28 Ca -0.12 -1.35 0.03 0.00 -1.21 0.00 0.00 61.69 59.04 2i9y s THR 28 Cb -0.14 -1.64 0.01 0.00 -1.51 0.00 0.00 72.50 69.22 2i9y s THR 28 CO 0.01 -0.48 -0.10 1.51 -2.21 0.00 0.00 174.62 173.35 2i9y s ASP 29 N -2.93 1.41 0.03 8.08 -4.77 -1.26 0.05 116.67 117.28 2i9y s ASP 29 Ca 0.12 -0.22 0.07 0.00 -3.30 0.00 0.00 52.55 49.22 2i9y s ASP 29 Cb 0.04 -0.44 -0.03 0.00 -1.09 0.00 0.00 42.92 41.40 2i9y s ASP 29 CO -0.05 0.06 -0.19 -0.69 0.70 0.00 0.00 175.17 175.01 2i9y s VAL 30 N 0.29 2.70 -0.13 2.11 1.01 -0.14 -4.93 120.40 121.30 2i9y s VAL 30 Ca -0.06 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 2i9y s VAL 30 Cb -0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 2i9y s VAL 30 CO 0.01 0.38 0.30 -1.61 0.00 0.00 0.00 175.10 174.18 2i9y s GLU 31 N -1.30 4.11 0.09 2.72 8.01 -1.26 -0.10 118.70 130.97 2i9y s GLU 31 Ca 0.14 0.13 0.07 0.00 0.01 0.00 0.00 54.97 55.31 2i9y s GLU 31 Cb -0.10 -3.37 -0.04 0.00 -4.31 0.00 0.00 34.13 26.31 2i9y s GLU 31 CO 0.04 0.37 -0.13 0.96 0.01 0.00 0.00 175.26 176.51 2i9y s ILE 32 N 0.05 3.19 -1.37 -1.63 -4.36 0.47 -4.96 121.20 112.59 2i9y s ILE 32 Ca 0.18 -1.26 0.27 0.00 -0.26 0.00 0.00 60.65 59.58 2i9y s ILE 32 Cb -0.13 -2.45 0.26 0.00 1.25 0.00 0.00 42.46 41.38 2i9y s ILE 32 CO 0.05 0.17 1.70 0.29 0.24 0.00 0.00 174.94 177.40 2i9y n LYS 33 N 0.93 0.40 -2.56 0.37 4.76 -1.26 -0.39 118.16 120.40 2i9y n LYS 33 Ca -0.15 -0.17 -0.31 0.00 -2.87 0.00 0.00 58.31 54.82 2i9y n LYS 33 Cb 0.52 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2i9y n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i9y s ALA 34 N -2.72 3.22 0.27 7.82 0.00 -1.26 -2.60 121.76 126.49 2i9y s ALA 34 Ca 0.20 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 2i9y s ALA 34 Cb 0.19 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 2i9y s ALA 34 CO 0.55 -0.19 0.76 0.45 0.00 0.00 0.00 175.76 177.34 2i9y s SER 35 N -3.30 7.00 0.55 0.00 0.15 -1.26 -2.85 113.70 113.99 2i9y s SER 35 Ca 0.54 1.44 0.23 0.00 0.70 0.00 0.00 55.95 58.86 2i9y s SER 35 Cb -0.10 -2.43 1.49 0.00 -1.71 0.00 0.00 66.02 63.27 2i9y s SER 35 CO 0.35 -0.07 2.15 0.00 1.20 0.00 0.00 173.24 176.87 2i9y h ALA 36 N 2.99 1.92 -0.57 5.45 0.00 -1.88 -1.33 119.26 125.83 2i9y h ALA 36 Ca -0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2i9y h ALA 36 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2i9y h ALA 36 CO 0.65 -0.14 0.34 -0.44 0.00 0.00 0.00 179.25 179.66 2i9y h ASP 37 N 0.00 0.67 0.59 0.00 3.32 -1.93 -0.16 116.42 118.92 2i9y h ASP 37 Ca 0.05 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 2i9y h ASP 37 Cb 0.22 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2i9y h ASP 37 CO -0.00 0.52 -0.68 0.11 -1.72 0.00 0.00 179.24 177.47 2i9y h LYS 38 N 0.78 0.08 -0.31 3.56 1.57 -1.63 0.12 116.57 120.74 2i9y h LYS 38 Ca 0.21 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 2i9y h LYS 38 Cb -0.03 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2i9y h LYS 38 CO -0.04 0.73 -0.50 0.35 -0.57 0.00 0.00 179.45 179.41 2i9y h PHE 39 N 0.05 1.08 -0.83 -1.35 3.57 -1.45 0.11 116.94 118.12 2i9y h PHE 39 Ca -0.01 -0.37 0.01 0.00 3.53 0.00 0.00 57.97 61.13 2i9y h PHE 39 Cb 1.21 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 2i9y h PHE 39 CO 0.01 1.19 0.54 1.25 -2.23 0.00 0.00 178.31 179.07 2i9y h HIS 40 N 0.68 1.05 0.04 0.41 2.76 -0.70 -3.11 115.15 116.28 2i9y h HIS 40 Ca 0.03 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 57.96 2i9y h HIS 40 Cb 1.10 -0.35 0.02 0.00 1.55 0.00 0.00 27.41 29.73 2i9y h HIS 40 CO 0.07 0.67 -1.03 0.45 -1.30 0.00 0.00 177.93 176.79 2i9y h HIS 41 N 1.12 0.95 -0.81 5.26 3.86 -0.54 -3.38 115.15 121.61 2i9y h HIS 41 Ca 0.30 -0.55 0.17 0.00 -1.16 0.00 0.00 60.37 59.13 2i9y h HIS 41 Cb -0.11 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.20 2i9y h HIS 41 CO -0.01 1.39 0.54 0.00 0.86 0.00 0.00 177.93 180.70 2i9y h MET 42 N 0.25 0.42 0.00 2.45 3.00 -0.72 0.49 114.93 120.82 2i9y h MET 42 Ca -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 59.70 59.50 2i9y h MET 42 Cb 1.70 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 33.20 2i9y h MET 42 CO 0.20 0.28 -0.62 0.35 0.00 0.00 0.00 176.91 177.12 2i9y h PHE 43 N 0.43 0.00 0.00 -0.10 3.57 -1.73 -3.37 116.94 115.74 2i9y h PHE 43 Ca 0.41 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 2i9y h PHE 43 Cb 0.94 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 2i9y h PHE 43 CO -0.00 0.15 -0.48 0.00 -2.23 0.00 0.00 178.31 175.75 2i9y n ALA 44 N -2.19 2.26 -2.53 2.41 0.00 -0.55 -4.79 120.51 115.12 2i9y n ALA 44 Ca 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 53.44 51.49 2i9y n ALA 44 Cb 0.61 -0.50 0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.34 3.74 2.00 0.00 0.00 0.16 -5.02 105.19 105.73 2i9y n GLY 45 Ca 0.06 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2i9y n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9y n LYS 46 N -0.40 -4.10 -0.06 1.61 4.01 -1.26 -4.82 118.16 113.13 2i9y n LYS 46 Ca 0.24 3.08 -0.00 0.00 -0.51 0.00 0.00 58.31 61.11 2i9y n LYS 46 Cb 0.79 -3.72 0.02 0.00 -0.51 0.00 0.00 35.03 31.61 2i9y n LYS 46 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2i9y n PRO 47 N 1.44 1.21 -2.07 1.97 -0.04 -1.26 -4.90 135.00 131.34 2i9y n PRO 47 Ca 0.00 -0.20 -0.39 0.00 -0.04 0.00 0.00 63.50 62.87 2i9y n PRO 47 Cb 0.00 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2i9y n PRO 47 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2i9y s HIS 48 N -0.89 2.79 0.02 0.54 2.46 -1.26 -5.04 115.29 113.90 2i9y s HIS 48 Ca 0.04 1.43 0.04 0.00 0.47 0.00 0.00 55.06 57.04 2i9y s HIS 48 Cb 0.03 -3.62 -0.01 0.00 -0.13 0.00 0.00 32.58 28.84 2i9y s HIS 48 CO 0.01 -2.04 -0.11 -3.38 -2.47 0.00 0.00 174.74 166.75 2i9y s HIS 49 N -1.32 0.97 -0.16 3.88 -3.43 -1.26 -5.03 115.29 108.94 2i9y s HIS 49 Ca 0.59 -0.28 -0.09 0.00 -0.80 0.00 0.00 55.06 54.48 2i9y s HIS 49 Cb -0.36 -0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 30.15 2i9y s HIS 49 CO 0.46 -0.00 0.15 0.54 -2.00 0.00 0.00 174.74 173.89 2i9y s VAL 50 N -0.62 5.43 -0.54 -5.38 0.11 -1.26 -5.05 120.40 113.09 2i9y s VAL 50 Ca 0.01 0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.22 2i9y s VAL 50 Cb -0.06 -3.46 0.14 0.00 -1.53 0.00 0.00 36.38 31.47 2i9y s VAL 50 CO 0.00 0.51 0.41 -0.44 -3.33 0.00 0.00 175.10 172.25 2i9y s SER 51 N -0.23 5.71 0.29 3.54 0.01 -1.26 -5.03 113.70 116.74 2i9y s SER 51 Ca 0.12 -2.20 0.02 0.00 1.31 0.00 0.00 55.95 55.20 2i9y s SER 51 Cb -0.12 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2i9y s SER 51 CO 0.01 -0.61 0.29 -0.54 0.41 0.00 0.00 173.24 172.80 2i9y s LYS 52 N 0.93 1.62 -1.74 12.44 1.02 -1.26 -4.86 119.74 127.89 2i9y s LYS 52 Ca 0.09 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.28 2i9y s LYS 52 Cb -0.23 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 2i9y s LYS 52 CO -0.02 -0.60 0.00 0.00 -0.92 0.00 0.00 175.35 173.80 2i9y n ALA 53 N -0.49 -0.50 -2.23 5.17 0.00 -1.26 -3.88 120.51 117.32 2i9y n ALA 53 Ca 0.04 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 2i9y n ALA 53 Cb 0.63 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 2i9y n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2i9y n SER 54 N -1.54 -3.86 -0.06 0.00 7.64 -1.26 -5.02 113.62 109.52 2i9y n SER 54 Ca -0.22 0.88 -0.13 0.00 1.01 0.00 0.00 58.87 60.41 2i9y n SER 54 Cb 0.66 -3.69 -0.12 0.00 -1.01 0.00 0.00 64.21 60.05 2i9y n SER 54 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2i9y h PRO 55 N 2.16 -0.01 0.00 1.43 0.13 -1.89 -3.51 132.00 130.31 2i9y h PRO 55 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2i9y h PRO 55 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2i9y h PRO 55 CO 0.04 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 2i9y n GLY 56 N 1.40 -1.31 2.51 1.56 0.00 -1.26 -5.10 105.19 102.99 2i9y n GLY 56 Ca -0.09 -2.08 -0.03 0.00 0.00 0.00 0.00 46.02 43.81 2i9y n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i9y n ASN 57 N 0.00 -3.13 -4.45 1.61 5.15 -1.26 -4.90 115.26 108.29 2i9y n ASN 57 Ca 0.00 1.22 -0.44 0.00 -0.60 0.00 0.00 54.58 54.76 2i9y n ASN 57 Cb 0.00 -4.81 -0.02 0.00 -0.53 0.00 0.00 39.78 34.42 2i9y n ASN 57 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2i9y s ILE 58 N -0.92 4.80 0.00 -1.44 -4.36 -1.26 -4.95 121.20 113.06 2i9y s ILE 58 Ca -0.16 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2i9y s ILE 58 Cb 0.01 -4.78 0.00 0.00 1.25 0.00 0.00 42.46 38.95 2i9y s ILE 58 CO 0.70 -1.49 0.00 0.00 0.24 0.00 0.00 174.94 174.39 2i9y n GLN 59 N 6.34 0.00 0.00 0.37 6.02 -1.26 -5.00 117.38 123.85 2i9y n GLN 59 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2i9y n GLN 59 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 2i9y n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i9y n GLY 60 N 0.00 0.83 4.64 1.08 0.00 -1.26 -4.92 105.19 105.56 2i9y n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 6.95 -0.46 0.00 2.15 -1.26 -5.00 116.67 119.05 2i9y s ASP 62 Ca 0.00 2.52 0.03 0.00 0.43 0.00 0.00 52.55 55.53 2i9y s ASP 62 Cb 0.00 -2.64 0.14 0.00 -0.30 0.00 0.00 42.92 40.12 2i9y s ASP 62 CO 0.00 -0.40 0.26 -0.22 -0.17 0.00 0.00 175.17 174.65 2i9y s LEU 63 N -1.56 2.92 -0.28 -1.34 2.96 -1.26 -5.02 118.68 115.10 2i9y s LEU 63 Ca 0.48 -2.76 0.00 0.00 -0.22 0.00 0.00 54.13 51.63 2i9y s LEU 63 Cb -0.37 -1.10 0.14 0.00 0.50 0.00 0.00 46.19 45.37 2i9y s LEU 63 CO 0.48 -0.25 0.36 -1.00 -1.32 0.00 0.00 176.35 174.62 2i9y s HIS 64 N 0.16 -0.76 -0.03 5.38 3.76 -1.26 -5.03 115.29 117.52 2i9y s HIS 64 Ca 0.19 0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.30 2i9y s HIS 64 Cb -0.22 -0.25 -0.00 0.00 1.11 0.00 0.00 32.58 33.22 2i9y s HIS 64 CO -0.02 -0.91 0.08 0.93 -0.85 0.00 0.00 174.74 173.98 2i9y h GLU 65 N 8.21 -0.03 0.00 1.40 5.08 -1.96 -3.45 114.58 123.83 2i9y h GLU 65 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2i9y h GLU 65 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2i9y h GLU 65 CO 0.29 -0.02 -0.27 0.41 -1.00 0.00 0.00 179.01 178.42 2i9y n GLY 66 N 1.71 -0.77 3.44 -3.84 0.00 -1.26 -4.78 105.19 99.69 2i9y n GLY 66 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2i9y n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i9y s ASP 67 N -0.54 -0.39 -0.00 1.61 -4.77 -1.26 -4.86 116.67 106.46 2i9y s ASP 67 Ca 0.00 -0.22 0.15 0.00 -3.30 0.00 0.00 52.55 49.17 2i9y s ASP 67 Cb 0.00 0.57 -0.17 0.00 -1.09 0.00 0.00 42.92 42.23 2i9y s ASP 67 CO 0.00 -0.98 0.61 0.79 0.70 0.00 0.00 175.17 176.30 2i9y n TRP 68 N -0.33 0.00 0.00 2.11 7.02 -1.26 -4.77 117.44 120.21 2i9y n TRP 68 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2i9y n TRP 68 Cb 0.64 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 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 1.38 1.86 3.42 6.99 0.00 -1.26 -5.02 105.19 112.56 2i9y n GLY 69 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2i9y n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9y s THR 70 N -2.38 2.45 0.32 2.61 2.01 -1.26 -5.11 115.64 114.29 2i9y s THR 70 Ca 0.00 -1.68 -0.29 0.00 0.31 0.00 0.00 61.69 60.03 2i9y s THR 70 Cb 0.00 -2.10 -0.10 0.00 0.01 0.00 0.00 72.50 70.31 2i9y s THR 70 CO 0.00 0.09 1.26 -0.69 -0.69 0.00 0.00 174.62 174.59 2i9y s VAL 71 N -1.10 2.90 0.00 3.82 1.01 -1.26 -2.46 120.40 123.30 2i9y s VAL 71 Ca 0.15 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2i9y s VAL 71 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2i9y s VAL 71 CO 0.07 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2i9y n GLY 72 N 0.88 0.63 3.77 4.51 0.00 -1.03 -5.06 105.19 108.89 2i9y n GLY 72 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.45 6.33 -0.15 1.61 0.15 -1.03 -4.71 113.70 113.45 2i9y s SER 73 Ca 0.00 3.04 -0.01 0.00 0.70 0.00 0.00 55.95 59.69 2i9y s SER 73 Cb 0.00 -2.66 0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2i9y s SER 73 CO 0.00 -0.90 -0.03 -0.63 1.20 0.00 0.00 173.24 172.88 2i9y s ILE 74 N -0.86 0.90 0.09 6.45 1.01 -1.26 -0.97 121.20 126.56 2i9y s ILE 74 Ca 0.55 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.77 2i9y s ILE 74 Cb -0.47 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2i9y s ILE 74 CO 0.60 0.12 -0.10 0.54 0.00 0.00 0.00 174.94 176.10 2i9y s VAL 75 N 1.73 0.92 -0.19 2.92 0.11 -1.26 -4.92 120.40 119.70 2i9y s VAL 75 Ca 0.02 -1.54 -0.02 0.00 -2.93 0.00 0.00 61.98 57.50 2i9y s VAL 75 Cb -0.15 -1.25 -0.00 0.00 -1.53 0.00 0.00 36.38 33.45 2i9y s VAL 75 CO -0.07 -0.50 -0.10 -0.36 -3.33 0.00 0.00 175.10 170.74 2i9y s PHE 76 N -2.19 2.88 0.04 1.54 0.08 -1.26 -3.86 117.98 115.21 2i9y s PHE 76 Ca 0.03 -1.07 0.05 0.00 0.12 0.00 0.00 56.93 56.06 2i9y s PHE 76 Cb -0.04 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2i9y s PHE 76 CO 0.00 -0.56 -0.11 -0.46 -0.10 0.00 0.00 175.22 173.99 2i9y s TRP 77 N 1.24 2.75 -0.17 0.36 -0.11 -1.06 -4.93 118.94 117.03 2i9y s TRP 77 Ca 0.03 -0.13 -0.07 0.00 1.22 0.00 0.00 56.10 57.14 2i9y s TRP 77 Cb -0.14 -1.52 -0.04 0.00 -1.50 0.00 0.00 33.47 30.26 2i9y s TRP 77 CO -0.04 0.34 0.08 -0.80 -4.62 0.00 0.00 176.95 171.91 2i9y s ASN 78 N -1.59 5.79 0.13 5.86 -0.87 -1.26 -0.36 114.94 122.63 2i9y s ASN 78 Ca 0.17 0.15 0.08 0.00 -1.57 0.00 0.00 52.86 51.69 2i9y s ASN 78 Cb -0.11 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.12 2i9y s ASN 78 CO 0.08 0.21 -0.18 -0.72 -2.57 0.00 0.00 177.10 173.93 2i9y s TYR 79 N 0.13 1.68 -0.27 2.20 1.13 0.02 -4.92 117.35 117.33 2i9y s TYR 79 Ca 0.06 -0.47 -0.08 0.00 -1.41 0.00 0.00 57.07 55.17 2i9y s TYR 79 Cb -0.12 -0.88 -0.02 0.00 -1.10 0.00 0.00 41.96 39.84 2i9y s TYR 79 CO 0.00 0.23 0.09 0.08 -2.51 0.00 0.00 175.55 173.44 2i9y s VAL 80 N -1.71 4.30 -0.21 -3.49 1.01 -1.26 0.44 120.40 119.48 2i9y s VAL 80 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2i9y s VAL 80 Cb -0.07 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.29 2i9y s VAL 80 CO 0.05 0.25 -0.05 -2.28 0.00 0.00 0.00 175.10 173.07 2i9y s HIS 81 N 1.59 2.12 -1.37 5.22 5.04 0.84 -4.73 115.29 124.00 2i9y s HIS 81 Ca 0.05 -1.52 -0.01 0.00 -1.54 0.00 0.00 55.06 52.05 2i9y s HIS 81 Cb -0.16 -1.48 0.00 0.00 0.04 0.00 0.00 32.58 30.99 2i9y s HIS 81 CO 0.04 -0.73 0.08 -0.25 -2.34 0.00 0.00 174.74 171.54 2i9y n ASP 82 N 4.75 -4.91 0.00 9.88 8.00 -1.26 -2.21 116.55 130.80 2i9y n ASP 82 Ca -0.12 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2i9y n ASP 82 Cb 0.45 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 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 -1.07 1.77 3.86 0.44 0.00 -1.26 -5.05 105.19 103.88 2i9y n GLY 83 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.60 3.76 -0.36 1.61 8.01 -0.94 -5.04 118.70 125.14 2i9y s GLU 84 Ca 0.00 0.19 -0.19 0.00 0.01 0.00 0.00 54.97 54.98 2i9y s GLU 84 Cb 0.00 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.72 2i9y s GLU 84 CO 0.00 0.64 0.58 0.00 0.01 0.00 0.00 175.26 176.49 2i9y s ALA 85 N -1.25 3.46 0.40 5.21 0.00 -1.26 -0.12 121.76 128.20 2i9y s ALA 85 Ca 0.28 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.35 2i9y s ALA 85 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2i9y s ALA 85 CO 0.15 -1.33 0.26 0.15 0.00 0.00 0.00 175.76 174.99 2i9y s LYS 86 N 2.57 2.40 -0.06 0.00 1.02 0.17 -4.88 119.74 120.97 2i9y s LYS 86 Ca 0.22 -1.64 0.04 0.00 0.02 0.00 0.00 55.97 54.60 2i9y s LYS 86 Cb -0.15 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2i9y s LYS 86 CO 0.14 -0.10 -0.15 0.08 -0.92 0.00 0.00 175.35 174.41 2i9y s VAL 87 N -2.51 2.98 -0.22 3.17 1.01 -1.26 -0.80 120.40 122.77 2i9y s VAL 87 Ca 0.43 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2i9y s VAL 87 Cb -0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2i9y s VAL 87 CO 0.25 0.58 0.02 0.00 0.00 0.00 0.00 175.10 175.96 2i9y s ALA 88 N -0.60 3.05 -0.21 5.51 0.00 0.51 -4.96 121.76 125.06 2i9y s ALA 88 Ca 0.09 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 2i9y s ALA 88 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2i9y s ALA 88 CO 0.01 -0.34 -0.00 0.15 0.00 0.00 0.00 175.76 175.57 2i9y s LYS 89 N 1.34 3.57 0.13 0.00 1.02 -1.26 -2.55 119.74 121.99 2i9y s LYS 89 Ca 0.05 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 2i9y s LYS 89 Cb -0.15 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 2i9y s LYS 89 CO 0.02 -0.04 0.10 -1.83 -0.92 0.00 0.00 175.35 172.67 2i9y s GLU 90 N 1.14 0.93 -0.05 1.68 4.04 -1.25 -4.32 118.70 120.87 2i9y s GLU 90 Ca 0.03 -1.34 -0.01 0.00 0.04 0.00 0.00 54.97 53.68 2i9y s GLU 90 Cb -0.14 0.27 0.03 0.00 0.02 0.00 0.00 34.13 34.30 2i9y s GLU 90 CO 0.01 -0.27 0.02 0.50 -1.84 0.00 0.00 175.26 173.68 2i9y s ARG 91 N -4.01 0.29 -0.16 -4.83 6.06 -1.09 -4.04 118.95 111.17 2i9y s ARG 91 Ca 0.20 0.19 -0.29 0.00 -2.50 0.00 0.00 55.73 53.32 2i9y s ARG 91 Cb 0.07 -0.67 -0.00 0.00 0.06 0.00 0.00 34.95 34.40 2i9y s ARG 91 CO -0.00 -0.26 1.08 0.42 -2.50 0.00 0.00 175.30 174.03 2i9y s ILE 92 N 1.75 4.61 -0.09 4.11 1.01 -0.15 -0.83 121.20 131.62 2i9y s ILE 92 Ca 0.00 1.92 0.18 0.00 0.00 0.00 0.00 60.65 62.75 2i9y s ILE 92 Cb -0.13 -4.24 -0.26 0.00 0.01 0.00 0.00 42.46 37.84 2i9y s ILE 92 CO -0.03 -0.10 0.28 1.21 0.00 0.00 0.00 174.94 176.29 2i9y n GLU 93 N 5.84 0.79 -3.61 2.79 4.07 0.50 -2.47 120.64 128.56 2i9y n GLU 93 Ca 0.11 -0.11 -0.13 0.00 -0.06 0.00 0.00 57.16 56.98 2i9y n GLU 93 Cb 0.47 -1.45 -0.07 0.00 -0.06 0.00 0.00 31.44 30.33 2i9y n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i9y s ALA 94 N -2.97 -1.86 -0.12 4.31 0.00 -1.23 -4.83 121.76 115.06 2i9y s ALA 94 Ca -0.08 1.84 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2i9y s ALA 94 Cb 0.09 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 22.22 2i9y s ALA 94 CO 0.77 -0.31 0.26 0.54 0.00 0.00 0.00 175.76 177.02 2i9y s VAL 95 N -0.03 -0.29 -0.33 0.00 0.11 -1.26 -0.34 120.40 118.26 2i9y s VAL 95 Ca -0.01 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2i9y s VAL 95 Cb -0.04 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.45 2i9y s VAL 95 CO -0.00 0.10 0.07 -1.61 -3.33 0.00 0.00 175.10 170.33 2i9y s GLU 96 N 2.04 2.36 0.18 1.54 0.41 0.15 -4.98 118.70 120.40 2i9y s GLU 96 Ca -0.02 -1.38 -0.12 0.00 -0.41 0.00 0.00 54.97 53.04 2i9y s GLU 96 Cb -0.11 -3.33 0.09 0.00 -1.78 0.00 0.00 34.13 28.99 2i9y s GLU 96 CO -0.09 -0.74 1.75 -1.35 -0.49 0.00 0.00 175.26 174.35 2i9y h PRO 97 N 8.05 0.90 0.12 0.39 0.11 -1.90 -0.42 132.00 139.26 2i9y h PRO 97 Ca -0.20 -0.14 -0.27 0.00 0.11 0.00 0.00 66.00 65.50 2i9y h PRO 97 Cb 1.06 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2i9y h PRO 97 CO 0.59 0.74 -1.22 -0.44 -0.21 0.00 0.00 178.00 177.45 2i9y h ASP 98 N 0.85 0.40 0.63 -2.05 5.19 -1.94 -3.30 116.42 116.21 2i9y h ASP 98 Ca 0.21 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2i9y h ASP 98 Cb 0.15 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2i9y h ASP 98 CO -0.02 1.33 -0.25 0.29 -3.12 0.00 0.00 179.24 177.47 2i9y n LYS 99 N -3.53 0.16 -3.31 3.56 5.02 -1.20 -4.92 118.16 113.94 2i9y n LYS 99 Ca -0.08 -0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 2i9y n LYS 99 Cb 1.01 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.59 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 -1.36 -5.82 -4.35 4.39 3.02 -0.22 -4.69 115.26 106.21 2i9y n ASN 100 Ca 0.08 -0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 53.90 2i9y n ASN 100 Cb 0.33 -4.50 -0.15 0.00 -0.61 0.00 0.00 39.78 34.84 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 -6.41 2.24 -0.16 3.41 2.96 -0.86 -1.11 118.68 118.76 2i9y s LEU 101 Ca 0.45 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 2i9y s LEU 101 Cb -0.20 -1.40 0.07 0.00 0.50 0.00 0.00 46.19 45.16 2i9y s LEU 101 CO 0.55 0.32 0.35 -0.51 -1.32 0.00 0.00 176.35 175.75 2i9y s ILE 102 N -0.62 -0.30 -0.25 6.68 2.07 -0.11 0.32 121.20 128.99 2i9y s ILE 102 Ca 0.10 0.17 -0.11 0.00 -1.41 0.00 0.00 60.65 59.39 2i9y s ILE 102 Cb -0.10 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 2i9y s ILE 102 CO -0.00 0.07 0.20 -0.89 -1.91 0.00 0.00 174.94 172.40 2i9y s THR 103 N 1.97 5.32 -0.11 4.00 2.01 0.54 -0.86 115.64 128.51 2i9y s THR 103 Ca -0.05 0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 2i9y s THR 103 Cb -0.11 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2i9y s THR 103 CO -0.11 0.30 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.72 2i9y s PHE 104 N 1.32 3.01 0.07 4.92 0.08 0.11 -0.37 117.98 127.12 2i9y s PHE 104 Ca 0.09 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.05 2i9y s PHE 104 Cb -0.14 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2i9y s PHE 104 CO 0.07 0.16 -0.01 0.50 -0.10 0.00 0.00 175.22 175.83 2i9y s ARG 105 N -0.22 2.55 0.38 0.44 3.52 -0.01 -0.93 118.95 124.69 2i9y s ARG 105 Ca 0.04 -0.81 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 2i9y s ARG 105 Cb -0.13 -2.54 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 2i9y s ARG 105 CO 0.02 0.56 1.10 0.54 -0.81 0.00 0.00 175.30 176.71 2i9y s VAL 106 N -1.24 3.50 0.00 7.11 0.11 -0.71 -2.66 120.40 126.51 2i9y s VAL 106 Ca 0.24 1.24 0.00 0.00 -2.93 0.00 0.00 61.98 60.53 2i9y s VAL 106 Cb -0.12 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2i9y s VAL 106 CO 0.16 0.10 0.00 2.30 -3.33 0.00 0.00 175.10 174.32 2i9y n ILE 107 N 0.18 0.00 0.02 7.04 -5.35 -1.26 -4.91 119.36 115.08 2i9y n ILE 107 Ca 0.04 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.45 2i9y n ILE 107 Cb 0.48 -0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.26 2i9y n ILE 107 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2i9y h GLU 108 N 0.00 -0.26 0.00 6.28 -0.00 -1.92 -3.48 114.58 115.20 2i9y h GLU 108 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.38 2i9y h GLU 108 Cb 0.13 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 28.94 2i9y h GLU 108 CO 0.00 -0.17 0.00 0.41 -0.00 0.00 0.00 179.01 179.25 2i9y n GLY 109 N -1.19 1.18 0.21 1.06 0.00 -1.26 -4.97 105.19 100.22 2i9y n GLY 109 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2i9y n GLY 109 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i9y h ASP 110 N 1.62 0.71 0.64 1.61 5.19 -2.00 -2.20 116.42 122.00 2i9y h ASP 110 Ca 0.00 -0.39 -0.04 0.00 -0.62 0.00 0.00 57.03 55.98 2i9y h ASP 110 Cb 0.00 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 2i9y h ASP 110 CO 0.00 0.94 -0.20 -0.07 -3.12 0.00 0.00 179.24 176.79 2i9y h LEU 111 N 0.48 0.00 0.00 1.55 3.38 -1.93 -2.16 115.31 116.62 2i9y h LEU 111 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2i9y h LEU 111 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2i9y h LEU 111 CO 0.04 0.20 0.00 0.23 0.09 0.00 0.00 178.44 179.01 2i9y n MET 112 N -3.55 0.38 0.19 1.13 2.81 -0.86 -1.39 117.12 115.83 2i9y n MET 112 Ca -0.01 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.03 2i9y n MET 112 Cb 0.35 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.53 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 -0.99 -3.34 116.57 114.06 2i9y h LYS 113 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2i9y h LYS 113 Cb 0.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2i9y h LYS 113 CO 0.00 0.00 -1.41 0.39 -1.08 0.00 0.00 179.45 177.35 2i9y n GLU 114 N -2.92 1.63 -4.21 3.15 1.02 -1.03 -4.98 120.64 113.29 2i9y n GLU 114 Ca 0.04 -0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2i9y n GLU 114 Cb 0.52 -1.18 -0.13 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.33 0.97 -0.46 -0.32 2.02 -0.49 -3.03 117.35 113.71 2i9y s TYR 115 Ca -0.03 -0.38 0.24 0.00 -0.37 0.00 0.00 57.07 56.52 2i9y s TYR 115 Cb 0.03 -0.57 0.32 0.00 -0.40 0.00 0.00 41.96 41.34 2i9y s TYR 115 CO 0.30 -0.00 1.43 0.87 -1.57 0.00 0.00 175.55 176.58 2i9y h LYS 116 N 4.83 0.00 -2.18 -0.62 1.57 -0.48 -3.34 116.57 116.35 2i9y h LYS 116 Ca -0.37 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.35 2i9y h LYS 116 Cb 1.19 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.29 2i9y h LYS 116 CO 0.43 0.00 0.06 0.45 -0.57 0.00 0.00 179.45 179.82 2i9y s SER 117 N -5.37 -0.64 -0.27 0.86 0.15 -1.23 -4.96 113.70 102.23 2i9y s SER 117 Ca 0.05 1.09 -0.05 0.00 0.70 0.00 0.00 55.95 57.74 2i9y s SER 117 Cb 0.09 1.07 0.14 0.00 -1.71 0.00 0.00 66.02 65.61 2i9y s SER 117 CO 0.70 -0.33 0.54 0.12 1.20 0.00 0.00 173.24 175.47 2i9y s PHE 118 N -0.13 -1.22 -0.03 3.44 5.36 -1.26 -1.19 117.98 122.94 2i9y s PHE 118 Ca -0.04 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 57.65 2i9y s PHE 118 Cb -0.03 0.50 0.03 0.00 -0.34 0.00 0.00 43.02 43.17 2i9y s PHE 118 CO 0.03 -0.70 0.07 -1.17 -1.46 0.00 0.00 175.22 171.99 2i9y s LEU 119 N 2.77 1.10 -0.03 6.12 0.20 -0.01 -1.74 118.68 127.08 2i9y s LEU 119 Ca 0.06 0.13 0.03 0.00 0.69 0.00 0.00 54.13 55.04 2i9y s LEU 119 Cb -0.13 0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.73 2i9y s LEU 119 CO -0.18 -0.11 -0.13 -1.48 -0.29 0.00 0.00 176.35 174.16 2i9y s LEU 120 N 0.91 1.85 -0.12 -0.68 2.34 -0.10 -0.77 118.68 122.11 2i9y s LEU 120 Ca -0.07 -0.26 0.02 0.00 0.06 0.00 0.00 54.13 53.87 2i9y s LEU 120 Cb -0.10 -0.75 -0.01 0.00 -0.56 0.00 0.00 46.19 44.77 2i9y s LEU 120 CO -0.03 0.11 -0.18 -0.89 -1.06 0.00 0.00 176.35 174.30 2i9y s THR 121 N 0.11 2.60 0.11 5.48 2.01 0.35 0.07 115.64 126.38 2i9y s THR 121 Ca -0.03 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.24 2i9y s THR 121 Cb -0.10 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2i9y s THR 121 CO 0.01 0.54 -0.22 0.27 -0.69 0.00 0.00 174.62 174.54 2i9y s ILE 122 N 0.38 2.61 -0.07 1.82 -4.36 -0.04 -0.48 121.20 121.05 2i9y s ILE 122 Ca -0.14 -1.57 -0.04 0.00 -0.26 0.00 0.00 60.65 58.64 2i9y s ILE 122 Cb -0.17 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.40 2i9y s ILE 122 CO 0.07 0.12 0.17 -1.58 0.24 0.00 0.00 174.94 173.96 2i9y s GLN 123 N -2.04 0.15 -0.30 0.37 0.74 -0.72 -0.94 119.66 116.93 2i9y s GLN 123 Ca 0.16 0.36 -0.16 0.00 0.05 0.00 0.00 55.36 55.77 2i9y s GLN 123 Cb -0.10 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.90 2i9y s GLN 123 CO 0.08 -0.12 0.43 0.08 -0.55 0.00 0.00 175.29 175.21 2i9y s VAL 124 N 0.85 5.12 -0.13 1.34 1.01 -0.26 -0.49 120.40 127.83 2i9y s VAL 124 Ca -0.06 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2i9y s VAL 124 Cb -0.08 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2i9y s VAL 124 CO -0.05 0.03 -0.19 -0.89 0.00 0.00 0.00 175.10 174.00 2i9y s THR 125 N 2.19 2.39 -0.24 3.92 2.01 0.51 -4.73 115.64 121.67 2i9y s THR 125 Ca 0.17 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 2i9y s THR 125 Cb -0.16 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2i9y s THR 125 CO 0.11 0.54 1.77 -2.16 -0.69 0.00 0.00 174.62 174.18 2i9y s PRO 126 N 0.65 3.58 0.08 4.92 0.04 -1.26 -0.66 135.00 142.34 2i9y s PRO 126 Ca -0.10 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2i9y s PRO 126 Cb -0.16 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2i9y s PRO 126 CO 0.02 -1.56 0.00 1.17 0.04 0.00 0.00 177.00 176.67 2i9y n LYS 127 N 8.05 0.00 -0.01 4.56 4.81 -1.26 -4.86 118.16 129.45 2i9y n LYS 127 Ca 0.21 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.54 2i9y n LYS 127 Cb 0.45 -0.27 -0.07 0.00 0.02 0.00 0.00 35.03 35.16 2i9y n LYS 127 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2i9y h PRO 128 N 0.00 0.12 0.00 1.64 0.11 -1.87 -3.50 132.00 128.50 2i9y h PRO 128 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2i9y h PRO 128 Cb 0.33 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2i9y h PRO 128 CO 0.00 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.49 2i9y n GLY 129 N -0.54 -0.45 0.00 -0.55 0.00 -1.22 -5.05 105.19 97.38 2i9y n GLY 129 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.57 3.55 -0.02 0.00 -1.26 -4.63 105.19 104.40 2i9y n GLY 130 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 2.74 0.00 1.61 0.04 -1.26 -4.07 135.00 134.05 2i9y s PRO 131 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2i9y s PRO 131 Cb 0.00 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2i9y s PRO 131 CO 0.00 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2i9y n GLY 132 N 6.14 3.36 3.05 0.56 0.00 -1.07 -4.89 105.19 112.34 2i9y n GLY 132 Ca 0.26 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.72 -0.23 1.61 0.01 0.48 -3.37 113.70 112.92 2i9y s SER 133 Ca 0.00 -0.57 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 2i9y s SER 133 Cb 0.00 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 2i9y s SER 133 CO 0.00 -0.25 0.10 -0.63 0.41 0.00 0.00 173.24 172.87 2i9y s ILE 134 N -1.57 4.85 -0.30 1.44 -1.09 0.17 -0.39 121.20 124.29 2i9y s ILE 134 Ca -0.10 0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 2i9y s ILE 134 Cb -0.09 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 2i9y s ILE 134 CO -0.00 0.37 0.24 0.54 -1.23 0.00 0.00 174.94 174.86 2i9y s VAL 135 N 1.08 5.28 -0.34 2.92 0.11 0.85 -0.37 120.40 129.93 2i9y s VAL 135 Ca 0.05 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.01 2i9y s VAL 135 Cb -0.14 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 2i9y s VAL 135 CO 0.04 0.13 0.50 -1.00 -3.33 0.00 0.00 175.10 171.44 2i9y s HIS 136 N 1.80 3.19 -0.25 1.54 3.76 0.36 -0.97 115.29 124.73 2i9y s HIS 136 Ca 0.08 0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 55.09 2i9y s HIS 136 Cb -0.16 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 2i9y s HIS 136 CO 0.11 -0.49 0.30 -1.58 -0.85 0.00 0.00 174.74 172.22 2i9y s TRP 137 N 2.36 3.29 -0.28 1.40 0.52 0.11 -1.76 118.94 124.58 2i9y s TRP 137 Ca 0.19 0.37 -0.01 0.00 0.02 0.00 0.00 56.10 56.66 2i9y s TRP 137 Cb -0.15 -2.46 0.04 0.00 -1.15 0.00 0.00 33.47 29.75 2i9y s TRP 137 CO 0.13 -0.09 -0.03 -1.01 0.02 0.00 0.00 176.95 175.97 2i9y s HIS 138 N 1.58 3.21 -0.21 -1.98 3.76 0.37 -1.88 115.29 120.14 2i9y s HIS 138 Ca 0.13 -1.83 -0.06 0.00 -0.15 0.00 0.00 55.06 53.15 2i9y s HIS 138 Cb -0.15 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2i9y s HIS 138 CO 0.08 -0.79 0.02 -0.51 -0.85 0.00 0.00 174.74 172.69 2i9y s LEU 139 N 1.26 3.34 -0.11 0.89 1.02 0.12 -0.50 118.68 124.70 2i9y s LEU 139 Ca -0.04 -0.19 0.02 0.00 0.02 0.00 0.00 54.13 53.94 2i9y s LEU 139 Cb -0.19 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.17 2i9y s LEU 139 CO -0.02 0.04 -0.18 -1.61 0.02 0.00 0.00 176.35 174.59 2i9y s GLU 140 N 1.16 2.53 0.21 1.70 2.02 0.05 -0.36 118.70 126.01 2i9y s GLU 140 Ca 0.03 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 54.18 2i9y s GLU 140 Cb -0.14 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.04 2i9y s GLU 140 CO 0.02 0.01 0.49 1.52 0.02 0.00 0.00 175.26 177.32 2i9y s TYR 141 N 0.78 0.05 -0.16 1.61 1.13 -0.63 -0.83 117.35 119.30 2i9y s TYR 141 Ca -0.10 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.15 2i9y s TYR 141 Cb -0.16 0.31 0.03 0.00 -1.10 0.00 0.00 41.96 41.04 2i9y s TYR 141 CO 0.01 -0.93 -0.13 -2.00 -2.51 0.00 0.00 175.55 170.00 2i9y s GLU 142 N -3.92 2.16 0.38 -3.49 2.12 -0.33 -0.56 118.70 115.06 2i9y s GLU 142 Ca 0.13 -0.60 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 2i9y s GLU 142 Cb -0.01 -2.14 -0.10 0.00 0.26 0.00 0.00 34.13 32.14 2i9y s GLU 142 CO 0.01 -0.29 1.40 0.15 -0.54 0.00 0.00 175.26 175.99 2i9y s LYS 143 N 1.49 4.07 0.10 4.30 3.01 0.98 0.20 119.74 133.88 2i9y s LYS 143 Ca 0.03 2.38 -0.07 0.00 -1.01 0.00 0.00 55.97 57.31 2i9y s LYS 143 Cb -0.14 -2.90 -0.19 0.00 -1.01 0.00 0.00 37.83 33.60 2i9y s LYS 143 CO -0.10 -0.49 1.22 0.82 0.51 0.00 0.00 175.35 177.31 2i9y h ILE 144 N 2.78 1.39 -2.64 2.17 2.04 -1.85 -3.41 117.51 117.99 2i9y h ILE 144 Ca -0.50 -2.59 -0.04 0.00 1.00 0.00 0.00 64.86 62.73 2i9y h ILE 144 Cb 1.24 2.60 -0.15 0.00 -0.74 0.00 0.00 36.82 39.78 2i9y h ILE 144 CO 0.64 0.77 0.19 -0.55 0.00 0.00 0.00 178.15 179.20 2i9y s SER 145 N -7.18 -0.59 -0.01 1.72 0.15 -1.26 -5.03 113.70 101.49 2i9y s SER 145 Ca -0.06 0.26 -0.23 0.00 0.70 0.00 0.00 55.95 56.62 2i9y s SER 145 Cb 0.08 0.57 -0.19 0.00 -1.71 0.00 0.00 66.02 64.76 2i9y s SER 145 CO 0.89 -0.83 1.21 -0.33 1.20 0.00 0.00 173.24 175.38 2i9y h GLU 146 N 2.40 0.20 0.00 5.44 4.39 -1.89 -2.76 114.58 122.35 2i9y h GLU 146 Ca -0.31 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 2i9y h GLU 146 Cb 1.24 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2i9y h GLU 146 CO 0.39 0.74 -0.01 1.05 -1.16 0.00 0.00 179.01 180.02 2i9y h GLU 147 N -0.32 0.00 0.00 2.33 4.11 -1.98 -1.04 114.58 117.68 2i9y h GLU 147 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2i9y h GLU 147 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2i9y h GLU 147 CO 0.03 0.01 -0.86 0.28 0.07 0.00 0.00 179.01 178.53 2i9y n VAL 148 N -3.13 0.33 -3.56 -1.06 0.31 -1.13 -4.90 118.33 105.18 2i9y n VAL 148 Ca -0.02 -0.32 -0.28 0.00 -0.01 0.00 0.00 64.34 63.71 2i9y n VAL 148 Cb 0.14 -0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.99 2i9y n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i9y s ALA 149 N -3.22 3.75 -0.34 3.52 0.00 -0.40 -4.64 121.76 120.44 2i9y s ALA 149 Ca 0.04 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 2i9y s ALA 149 Cb 0.13 -2.12 0.13 0.00 0.00 0.00 0.00 23.12 21.27 2i9y s ALA 149 CO 0.77 0.38 0.22 -1.01 0.00 0.00 0.00 175.76 176.11 2i9y s HIS 150 N -1.93 0.50 0.60 0.00 3.76 -1.26 -4.98 115.29 111.97 2i9y s HIS 150 Ca 0.41 -1.36 0.29 0.00 -0.15 0.00 0.00 55.06 54.25 2i9y s HIS 150 Cb -0.11 -0.84 1.61 0.00 1.11 0.00 0.00 32.58 34.36 2i9y s HIS 150 CO 0.29 -0.85 2.03 -1.35 -0.85 0.00 0.00 174.74 174.01 2i9y h PRO 151 N 7.30 0.00 -0.72 8.40 0.11 -1.98 -2.63 132.00 142.49 2i9y h PRO 151 Ca 0.01 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 2i9y h PRO 151 Cb 0.99 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2i9y h PRO 151 CO 0.29 0.00 0.24 1.05 -0.21 0.00 0.00 178.00 179.37 2i9y h GLU 152 N 0.00 1.10 0.00 1.05 9.09 -2.00 -2.00 114.58 121.82 2i9y h GLU 152 Ca 0.12 -0.23 -0.11 0.00 0.05 0.00 0.00 59.36 59.19 2i9y h GLU 152 Cb 0.71 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 27.63 2i9y h GLU 152 CO -0.00 0.93 -0.53 1.79 0.05 0.00 0.00 179.01 181.25 2i9y h THR 153 N 1.05 1.34 -0.49 -1.06 1.35 -1.90 -1.83 112.91 111.37 2i9y h THR 153 Ca 0.23 -1.85 -0.12 0.00 -0.55 0.00 0.00 66.41 64.12 2i9y h THR 153 Cb 0.28 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2i9y h THR 153 CO -0.01 0.52 -0.17 -0.07 -0.25 0.00 0.00 175.52 175.54 2i9y h LEU 154 N 0.00 1.00 -0.68 3.87 3.38 -1.45 0.46 115.31 121.88 2i9y h LEU 154 Ca -0.01 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2i9y h LEU 154 Cb 0.97 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2i9y h LEU 154 CO 0.07 1.15 0.23 -0.07 0.09 0.00 0.00 178.44 179.92 2i9y h LEU 155 N 0.84 0.97 -0.82 1.67 3.38 -0.97 -2.06 115.31 118.32 2i9y h LEU 155 Ca 0.12 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2i9y h LEU 155 Cb 0.74 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2i9y h LEU 155 CO 0.06 0.90 0.11 1.56 0.09 0.00 0.00 178.44 181.16 2i9y h GLN 156 N 0.98 1.00 -0.86 1.13 4.20 -1.01 -0.44 115.11 120.10 2i9y h GLN 156 Ca 0.22 -0.25 0.06 0.00 0.06 0.00 0.00 58.65 58.75 2i9y h GLN 156 Cb 0.26 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 2i9y h GLN 156 CO -0.01 0.91 0.53 0.35 -0.67 0.00 0.00 178.83 179.94 2i9y h PHE 157 N 0.94 0.99 -0.27 2.96 3.57 -0.60 0.19 116.94 124.72 2i9y h PHE 157 Ca 0.19 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2i9y h PHE 157 Cb 0.39 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2i9y h PHE 157 CO 0.03 0.50 0.07 0.00 -2.23 0.00 0.00 178.31 176.67 2i9y h VAL 159 N 0.27 1.16 -0.42 0.00 2.07 -0.06 -0.84 116.25 118.43 2i9y h VAL 159 Ca 0.08 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2i9y h VAL 159 Cb 0.28 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2i9y h VAL 159 CO 0.00 0.16 0.19 -0.33 0.02 0.00 0.00 177.57 177.61 2i9y h GLU 160 N 0.85 0.61 -0.30 1.57 4.39 -0.61 -2.23 114.58 118.86 2i9y h GLU 160 Ca 0.23 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 2i9y h GLU 160 Cb -0.10 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 2i9y h GLU 160 CO -0.05 0.54 -0.08 0.28 -1.16 0.00 0.00 179.01 178.53 2i9y h VAL 161 N 0.54 1.22 -0.70 3.13 2.07 -1.28 -3.08 116.25 118.15 2i9y h VAL 161 Ca 0.14 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.85 2i9y h VAL 161 Cb 0.14 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 2i9y h VAL 161 CO -0.02 0.31 0.29 0.28 0.02 0.00 0.00 177.57 178.45 2i9y h SER 162 N 0.46 0.29 -0.57 0.57 0.02 -0.52 -0.47 113.55 113.33 2i9y h SER 162 Ca 0.09 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2i9y h SER 162 Cb 0.43 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2i9y h SER 162 CO 0.02 0.14 0.11 0.11 -1.14 0.00 0.00 176.83 176.07 2i9y h LYS 163 N 0.46 0.97 0.17 3.45 6.56 -1.47 0.19 116.57 126.91 2i9y h LYS 163 Ca 0.37 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 2i9y h LYS 163 Cb 0.50 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2i9y h LYS 163 CO -0.35 0.89 -0.08 1.49 -2.06 0.00 0.00 179.45 179.34 2i9y h GLU 164 N 0.92 -0.22 -0.37 3.15 4.57 -1.36 -1.52 114.58 119.75 2i9y h GLU 164 Ca 0.19 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2i9y h GLU 164 Cb 0.39 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2i9y h GLU 164 CO 0.01 0.02 -0.12 0.97 -1.18 0.00 0.00 179.01 178.71 2i9y h ILE 165 N -0.45 1.28 0.27 2.32 -0.00 -1.03 0.13 117.51 120.03 2i9y h ILE 165 Ca -0.02 -1.21 -0.01 0.00 -0.00 0.00 0.00 64.86 63.61 2i9y h ILE 165 Cb 0.35 1.30 0.00 0.00 -0.00 0.00 0.00 36.82 38.47 2i9y h ILE 165 CO 0.04 0.40 -0.13 -0.78 -0.00 0.00 0.00 178.15 177.68 2i9y h ASP 166 N 0.52 -0.30 0.73 2.19 3.58 -0.97 -2.62 116.42 119.56 2i9y h ASP 166 Ca 0.09 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.37 2i9y h ASP 166 Cb 0.64 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2i9y h ASP 166 CO 0.04 -0.19 -0.72 -0.33 -2.88 0.00 0.00 179.24 175.16 2i9y h GLU 167 N -0.39 0.00 -0.27 0.28 5.08 -1.26 -2.85 114.58 115.17 2i9y h GLU 167 Ca -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2i9y h GLU 167 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2i9y h GLU 167 CO 0.06 0.72 -0.30 1.25 -1.00 0.00 0.00 179.01 179.74 2i9y h HIS 168 N 0.00 0.63 0.00 4.33 2.76 -0.59 0.20 115.15 122.49 2i9y h HIS 168 Ca -0.01 -0.15 -0.18 0.00 -2.20 0.00 0.00 60.37 57.83 2i9y h HIS 168 Cb 1.29 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.08 2i9y h HIS 168 CO 0.00 0.79 -0.85 -0.07 -1.30 0.00 0.00 177.93 176.51 2i9y h LEU 169 N 0.48 0.08 -0.69 0.26 3.38 -1.47 -3.13 115.31 114.21 2i9y h LEU 169 Ca 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2i9y h LEU 169 Cb 0.76 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2i9y h LEU 169 CO 0.06 0.89 -0.40 -0.07 0.09 0.00 0.00 178.44 179.00 2i9y h LEU 170 N 0.03 0.00 -8.60 1.67 3.38 -1.18 -3.39 115.31 107.22 2i9y h LEU 170 Ca -0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.40 2i9y h LEU 170 Cb 1.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 2i9y h LEU 170 CO 0.12 0.40 1.06 0.00 0.09 0.00 0.00 178.44 180.11 2i9y s ALA 171 N -3.42 2.89 0.55 1.53 0.00 0.66 -4.98 121.76 118.98 2i9y s ALA 171 Ca 0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 2i9y s ALA 171 Cb 0.10 -4.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.09 2i9y s ALA 171 CO 0.70 -2.80 1.08 -1.21 0.00 0.00 0.00 175.76 173.53 2i9y s GLU 172 N 5.27 3.43 0.00 0.00 2.02 -1.26 -4.89 118.70 123.28 2i9y s GLU 172 Ca 0.50 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.90 2i9y s GLU 172 Cb -0.10 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2i9y s GLU 172 CO 0.26 -0.75 0.15 -1.91 0.02 0.00 0.00 175.26 173.03