#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 -3.19 1.09 0.28 -1.26 -5.15 120.64 112.41 2i9y n GLU 18 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2i9y n GLU 18 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -2.00 -2.05 0.15 -1.84 0.00 -1.26 -5.05 121.76 109.72 2i9y s ALA 19 Ca 0.00 1.66 -0.13 0.00 0.00 0.00 0.00 51.96 53.50 2i9y s ALA 19 Cb 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 21.07 2i9y s ALA 19 CO 0.00 -1.32 1.65 0.66 0.00 0.00 0.00 175.76 176.75 2i9y h SER 20 N 8.03 0.79 0.18 0.00 4.64 -2.01 -3.29 113.55 121.88 2i9y h SER 20 Ca -0.22 -0.24 -0.36 0.00 -0.47 0.00 0.00 61.79 60.50 2i9y h SER 20 Cb 1.16 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2i9y h SER 20 CO 0.26 0.83 -1.92 0.77 -0.87 0.00 0.00 176.83 175.90 2i9y h SER 21 N 0.71 0.42 -0.46 4.97 4.64 -2.03 -3.47 113.55 118.32 2i9y h SER 21 Ca 0.16 -0.87 -0.20 0.00 -0.47 0.00 0.00 61.79 60.41 2i9y h SER 21 Cb 0.36 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.23 2i9y h SER 21 CO 0.00 1.77 -0.18 0.18 -0.87 0.00 0.00 176.83 177.73 2i9y n LEU 22 N -3.46 -0.30 -4.77 5.97 4.77 -1.24 -4.95 117.00 113.02 2i9y n LEU 22 Ca -0.29 0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 55.55 2i9y n LEU 22 Cb 1.05 -2.42 -0.06 0.00 -2.33 0.00 0.00 43.42 39.66 2i9y n LEU 22 CO 0.45 -0.92 0.13 -0.69 -1.33 0.00 0.00 177.39 175.03 2i9y s VAL 23 N -1.95 5.12 0.06 4.08 1.01 -1.26 -0.45 120.40 127.01 2i9y s VAL 23 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2i9y s VAL 23 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2i9y s VAL 23 CO 0.00 0.44 -0.18 -0.83 0.00 0.00 0.00 175.10 174.53 2i9y s GLY 24 N -0.10 1.03 0.12 4.51 0.00 0.38 -4.94 107.32 108.32 2i9y s GLY 24 Ca 0.24 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.96 2i9y s GLY 24 CO 0.11 -1.02 -0.10 0.54 0.00 0.00 0.00 173.10 172.64 2i9y s LYS 25 N -1.46 0.95 -0.15 2.90 1.02 -1.26 -0.44 119.74 121.30 2i9y s LYS 25 Ca 0.04 -1.31 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 2i9y s LYS 25 Cb -0.09 -0.55 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2i9y s LYS 25 CO 0.02 0.07 0.38 -1.17 -0.92 0.00 0.00 175.35 173.73 2i9y s LEU 26 N -2.84 0.24 -0.01 3.17 2.96 0.33 -4.97 118.68 117.56 2i9y s LEU 26 Ca 0.11 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2i9y s LEU 26 Cb 0.00 1.25 -0.00 0.00 0.50 0.00 0.00 46.19 47.94 2i9y s LEU 26 CO -0.00 -0.16 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.08 2i9y s GLU 27 N 0.88 0.79 -0.09 1.98 2.12 -1.26 0.22 118.70 123.34 2i9y s GLU 27 Ca -0.05 -0.30 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 2i9y s GLU 27 Cb -0.06 -0.76 0.04 0.00 0.26 0.00 0.00 34.13 33.61 2i9y s GLU 27 CO -0.07 0.16 0.41 -0.08 -0.54 0.00 0.00 175.26 175.13 2i9y s THR 28 N -0.04 0.02 -0.14 -1.70 -1.32 -0.58 -5.03 115.64 106.85 2i9y s THR 28 Ca 0.01 -0.19 -0.03 0.00 -1.21 0.00 0.00 61.69 60.27 2i9y s THR 28 Cb -0.05 -0.64 -0.03 0.00 -1.51 0.00 0.00 72.50 70.27 2i9y s THR 28 CO -0.00 -0.10 -0.05 1.51 -2.21 0.00 0.00 174.62 173.76 2i9y s ASP 29 N -0.54 4.67 -0.10 8.08 -4.77 -1.26 -0.72 116.67 122.03 2i9y s ASP 29 Ca -0.07 -0.14 0.02 0.00 -3.30 0.00 0.00 52.55 49.06 2i9y s ASP 29 Cb -0.04 -1.68 -0.02 0.00 -1.09 0.00 0.00 42.92 40.09 2i9y s ASP 29 CO 0.03 0.19 -0.15 -0.69 0.70 0.00 0.00 175.17 175.25 2i9y s VAL 30 N 0.20 2.89 -0.27 2.11 1.01 -0.29 -4.98 120.40 121.07 2i9y s VAL 30 Ca -0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 2i9y s VAL 30 Cb -0.14 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2i9y s VAL 30 CO 0.03 0.55 0.19 -1.61 0.00 0.00 0.00 175.10 174.26 2i9y s GLU 31 N -0.03 3.99 0.50 2.72 2.02 -1.26 -0.55 118.70 126.08 2i9y s GLU 31 Ca -0.04 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 54.72 2i9y s GLU 31 Cb -0.14 -3.62 0.01 0.00 0.10 0.00 0.00 34.13 30.48 2i9y s GLU 31 CO 0.04 -0.11 0.35 0.96 0.02 0.00 0.00 175.26 176.52 2i9y s ILE 32 N 1.56 1.92 -0.17 -1.63 -4.36 -0.39 -4.99 121.20 113.15 2i9y s ILE 32 Ca 0.07 -1.52 0.19 0.00 -0.26 0.00 0.00 60.65 59.13 2i9y s ILE 32 Cb -0.15 -2.44 -0.26 0.00 1.25 0.00 0.00 42.46 40.85 2i9y s ILE 32 CO 0.09 0.00 0.15 0.29 0.24 0.00 0.00 174.94 175.71 2i9y n LYS 33 N -1.62 0.68 -1.79 0.37 5.02 -1.26 -3.24 118.16 116.32 2i9y n LYS 33 Ca -0.01 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 2i9y n LYS 33 Cb 0.64 -1.52 0.05 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.67 2.42 0.07 7.82 0.00 -1.26 -1.66 121.76 126.49 2i9y s ALA 34 Ca -0.10 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 2i9y s ALA 34 Cb 0.07 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2i9y s ALA 34 CO 0.84 -1.34 0.31 -1.12 0.00 0.00 0.00 175.76 174.46 2i9y s SER 35 N -2.18 6.48 0.33 0.00 0.01 -1.26 -1.12 113.70 115.97 2i9y s SER 35 Ca 0.71 0.54 0.02 0.00 1.31 0.00 0.00 55.95 58.54 2i9y s SER 35 Cb -0.25 -2.08 0.59 0.00 0.21 0.00 0.00 66.02 64.50 2i9y s SER 35 CO 0.39 0.16 1.93 0.00 0.41 0.00 0.00 173.24 176.13 2i9y h ALA 36 N 3.38 1.43 -0.89 1.44 0.00 -1.86 -1.64 119.26 121.11 2i9y h ALA 36 Ca -0.48 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.37 2i9y h ALA 36 Cb 1.18 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2i9y h ALA 36 CO 0.70 0.44 0.58 0.22 0.00 0.00 0.00 179.25 181.20 2i9y h ASP 37 N 0.73 0.90 -0.06 0.00 3.58 -1.91 -1.49 116.42 118.17 2i9y h ASP 37 Ca 0.18 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.47 2i9y h ASP 37 Cb 0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2i9y h ASP 37 CO -0.02 0.59 -0.52 0.11 -2.88 0.00 0.00 179.24 176.52 2i9y h LYS 38 N 1.03 0.63 -0.72 0.28 1.57 -1.57 -2.38 116.57 115.41 2i9y h LYS 38 Ca 0.38 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2i9y h LYS 38 Cb 0.17 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2i9y h LYS 38 CO -0.14 1.00 0.41 0.35 -0.57 0.00 0.00 179.45 180.50 2i9y h PHE 39 N 0.49 0.96 -0.37 -1.35 3.04 -0.96 -1.47 116.94 117.29 2i9y h PHE 39 Ca 0.02 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 2i9y h PHE 39 Cb 1.07 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2i9y h PHE 39 CO 0.05 0.66 -0.05 1.25 -2.02 0.00 0.00 178.31 178.20 2i9y h HIS 40 N 1.00 0.64 0.01 0.41 2.76 -0.92 -3.20 115.15 115.85 2i9y h HIS 40 Ca 0.26 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2i9y h HIS 40 Cb 0.00 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2i9y h HIS 40 CO 0.01 0.65 -0.01 0.45 -1.30 0.00 0.00 177.93 177.73 2i9y h HIS 41 N 0.56 -0.01 -0.05 5.26 3.86 -0.81 -3.20 115.15 120.76 2i9y h HIS 41 Ca 0.11 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2i9y h HIS 41 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2i9y h HIS 41 CO 0.02 0.77 0.04 0.00 0.86 0.00 0.00 177.93 179.62 2i9y h MET 42 N -0.85 0.00 0.02 2.45 -0.00 -1.40 0.16 114.93 115.31 2i9y h MET 42 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.42 2i9y h MET 42 Cb 0.79 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.35 2i9y h MET 42 CO 0.00 0.00 -1.56 0.35 -0.00 0.00 0.00 176.91 175.70 2i9y h PHE 43 N 0.00 0.07 0.07 -0.10 3.04 -1.69 -3.37 116.94 114.95 2i9y h PHE 43 Ca 0.02 -0.05 -0.19 0.00 3.98 0.00 0.00 57.97 61.73 2i9y h PHE 43 Cb 0.10 -0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.62 2i9y h PHE 43 CO 0.00 1.08 -0.79 0.00 -2.02 0.00 0.00 178.31 176.59 2i9y h ALA 44 N 0.90 0.00 -2.31 2.41 0.00 -1.34 -3.45 119.26 115.48 2i9y h ALA 44 Ca -0.23 -0.65 -0.49 0.00 0.00 0.00 0.00 54.91 53.54 2i9y h ALA 44 Cb 1.96 0.07 0.04 0.00 0.00 0.00 0.00 17.79 19.86 2i9y h ALA 44 CO 0.10 0.42 0.17 0.20 0.00 0.00 0.00 179.25 180.13 2i9y s GLY 45 N -4.26 1.53 -0.42 0.00 0.00 0.49 -5.05 107.32 99.61 2i9y s GLY 45 Ca -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 2i9y s GLY 45 CO 0.85 -0.25 0.23 0.54 0.00 0.00 0.00 173.10 174.46 2i9y s LYS 46 N -4.83 2.09 0.45 2.90 3.01 -1.26 -4.80 119.74 117.29 2i9y s LYS 46 Ca 0.49 -1.81 -0.21 0.00 -1.01 0.00 0.00 55.97 53.43 2i9y s LYS 46 Cb -0.10 -3.64 -0.10 0.00 -1.01 0.00 0.00 37.83 32.97 2i9y s LYS 46 CO 0.47 -1.09 0.98 -2.14 0.51 0.00 0.00 175.35 174.07 2i9y s PRO 47 N 1.18 4.11 0.31 -1.68 0.02 -1.26 -4.96 135.00 132.71 2i9y s PRO 47 Ca 0.08 1.19 0.07 0.00 0.02 0.00 0.00 61.00 62.36 2i9y s PRO 47 Cb -0.23 -2.16 0.51 0.00 0.02 0.00 0.00 34.50 32.64 2i9y s PRO 47 CO -0.04 -0.15 1.73 1.25 -0.33 0.00 0.00 177.00 179.47 2i9y h HIS 48 N 1.80 0.25 -3.91 6.54 2.76 -2.03 -3.44 115.15 117.13 2i9y h HIS 48 Ca -0.49 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 57.52 2i9y h HIS 48 Cb 1.19 -0.06 -0.14 0.00 1.55 0.00 0.00 27.41 29.96 2i9y h HIS 48 CO 0.61 0.57 -0.41 -1.01 -1.30 0.00 0.00 177.93 176.39 2i9y s HIS 49 N -4.20 0.29 0.83 5.26 3.76 -1.26 -5.06 115.29 114.91 2i9y s HIS 49 Ca -0.04 -0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 54.04 2i9y s HIS 49 Cb 0.14 -0.12 0.09 0.00 1.11 0.00 0.00 32.58 33.80 2i9y s HIS 49 CO 0.76 -0.57 1.09 0.14 -0.85 0.00 0.00 174.74 175.32 2i9y s VAL 50 N -3.90 3.02 0.51 -0.90 -7.23 -1.26 -4.96 120.40 105.67 2i9y s VAL 50 Ca 0.09 0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 2i9y s VAL 50 Cb 0.05 -2.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 2i9y s VAL 50 CO -0.08 -0.43 1.38 -1.54 -0.31 0.00 0.00 175.10 174.12 2i9y n SER 51 N -3.67 2.88 0.00 4.85 3.41 -1.26 -4.15 113.62 115.68 2i9y n SER 51 Ca 0.08 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 2i9y n SER 51 Cb 0.54 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2i9y n SER 51 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2i9y n LYS 52 N -0.69 0.00 0.00 4.33 4.81 -1.26 -4.83 118.16 120.53 2i9y n LYS 52 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2i9y n LYS 52 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 2i9y n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i9y n ALA 53 N 1.20 0.00 -2.27 3.14 0.00 -1.26 -4.75 120.51 116.56 2i9y n ALA 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2i9y n ALA 53 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2i9y n ALA 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2i9y s SER 54 N 0.00 6.66 0.00 0.00 0.01 -1.26 -5.10 113.70 114.01 2i9y s SER 54 Ca 0.00 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2i9y s SER 54 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2i9y s SER 54 CO 0.00 -0.18 0.00 -2.65 0.41 0.00 0.00 173.24 170.82 2i9y n PRO 55 N -0.46 3.03 -1.04 12.44 -0.02 -1.26 -4.82 135.00 142.86 2i9y n PRO 55 Ca 0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.35 2i9y n PRO 55 Cb 0.53 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.86 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 4.75 3.16 3.05 -1.23 0.00 -1.26 -4.76 105.19 108.92 2i9y n GLY 56 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 2i9y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i9y s ASN 57 N 1.98 0.03 -0.38 1.61 3.84 -1.26 -5.12 114.94 115.64 2i9y s ASN 57 Ca 0.67 -0.14 -0.25 0.00 0.21 0.00 0.00 52.86 53.35 2i9y s ASN 57 Cb 0.31 0.20 0.02 0.00 -0.55 0.00 0.00 41.25 41.22 2i9y s ASN 57 CO -0.01 -0.27 0.90 -0.63 -2.79 0.00 0.00 177.10 174.30 2i9y s ILE 58 N -1.01 4.59 0.27 -5.21 1.01 -1.26 -4.83 121.20 114.76 2i9y s ILE 58 Ca -0.11 1.07 0.11 0.00 0.00 0.00 0.00 60.65 61.73 2i9y s ILE 58 Cb -0.06 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 2i9y s ILE 58 CO 0.01 -0.56 -0.13 -1.10 0.00 0.00 0.00 174.94 173.16 2i9y s GLN 59 N 3.45 1.91 0.00 2.79 -0.21 -1.26 -5.13 119.66 121.21 2i9y s GLN 59 Ca 0.37 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.11 2i9y s GLN 59 Cb -0.12 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 31.97 2i9y s GLN 59 CO 0.19 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 2i9y n GLY 60 N -0.72 3.79 0.79 3.09 0.00 -1.26 -5.05 105.19 105.83 2i9y n GLY 60 Ca -0.06 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -5.88 4.37 -0.63 0.00 1.01 -1.26 -5.06 116.67 109.21 2i9y s ASP 62 Ca 0.00 -0.57 -0.24 0.00 0.71 0.00 0.00 52.55 52.45 2i9y s ASP 62 Cb 0.00 -0.78 0.05 0.00 1.01 0.00 0.00 42.92 43.20 2i9y s ASP 62 CO 0.00 0.08 1.04 -0.76 0.21 0.00 0.00 175.17 175.74 2i9y s LEU 63 N -2.99 3.98 0.12 1.23 2.01 -1.26 -4.83 118.68 116.93 2i9y s LEU 63 Ca 0.26 -0.59 0.24 0.00 0.01 0.00 0.00 54.13 54.05 2i9y s LEU 63 Cb -0.08 -2.63 0.26 0.00 0.01 0.00 0.00 46.19 43.74 2i9y s LEU 63 CO 0.16 -1.45 1.24 -0.74 1.01 0.00 0.00 176.35 176.57 2i9y h HIS 64 N 9.58 0.00 -1.03 0.29 -0.00 -1.97 -3.43 115.15 118.59 2i9y h HIS 64 Ca -0.27 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.63 2i9y h HIS 64 Cb 1.07 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.40 2i9y h HIS 64 CO 0.99 0.00 1.16 -1.21 -0.00 0.00 0.00 177.93 178.87 2i9y s GLU 65 N -3.20 3.12 0.27 5.26 2.02 -1.26 -4.76 118.70 120.16 2i9y s GLU 65 Ca 0.05 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2i9y s GLU 65 Cb 0.13 -5.16 0.00 0.00 0.10 0.00 0.00 34.13 29.20 2i9y s GLU 65 CO 0.74 -2.70 0.00 0.41 0.02 0.00 0.00 175.26 173.73 2i9y n GLY 66 N 6.78 -1.84 2.54 -1.39 0.00 -1.26 -4.48 105.19 105.54 2i9y n GLY 66 Ca 0.34 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 2i9y n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2i9y n ASP 67 N 0.02 -5.15 -0.00 1.61 2.03 0.22 -4.97 116.55 110.31 2i9y n ASP 67 Ca 0.00 1.25 0.08 0.00 0.52 0.00 0.00 54.79 56.65 2i9y n ASP 67 Cb 0.00 -4.84 -0.12 0.00 -0.72 0.00 0.00 41.12 35.44 2i9y n ASP 67 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2i9y n TRP 68 N 0.91 0.00 0.00 -0.67 7.02 -1.26 -4.99 117.44 118.45 2i9y n TRP 68 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 2i9y n TRP 68 Cb 0.19 -0.24 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 1.48 2.96 3.79 6.99 0.00 -1.26 -4.96 105.19 114.20 2i9y n GLY 69 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.49 1.08 0.36 2.61 -4.23 -1.26 -5.05 115.64 106.65 2i9y s THR 70 Ca 0.00 -1.97 -0.28 0.00 -1.18 0.00 0.00 61.69 58.27 2i9y s THR 70 Cb 0.00 -2.05 -0.10 0.00 1.34 0.00 0.00 72.50 71.69 2i9y s THR 70 CO 0.00 0.00 1.35 0.54 -0.54 0.00 0.00 174.62 175.97 2i9y s VAL 71 N -2.89 2.54 0.00 2.29 0.11 -1.26 -2.13 120.40 119.06 2i9y s VAL 71 Ca 0.04 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 2i9y s VAL 71 Cb 0.00 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 2i9y s VAL 71 CO 0.02 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 2i9y n GLY 72 N 0.69 0.62 3.77 6.54 0.00 -0.39 -5.00 105.19 111.42 2i9y n GLY 72 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.63 6.61 -0.17 1.61 0.15 -0.90 -4.52 113.70 113.85 2i9y s SER 73 Ca 0.00 2.79 -0.00 0.00 0.70 0.00 0.00 55.95 59.44 2i9y s SER 73 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2i9y s SER 73 CO 0.00 -0.66 -0.14 -0.63 1.20 0.00 0.00 173.24 173.01 2i9y s ILE 74 N -1.14 2.67 0.14 6.45 1.01 -1.26 0.04 121.20 129.11 2i9y s ILE 74 Ca 0.51 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 60.47 2i9y s ILE 74 Cb -0.42 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2i9y s ILE 74 CO 0.56 0.51 -0.16 -0.69 0.00 0.00 0.00 174.94 175.15 2i9y s VAL 75 N 0.99 1.59 -0.12 2.92 1.01 -1.22 -0.61 120.40 124.96 2i9y s VAL 75 Ca -0.02 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.15 2i9y s VAL 75 Cb -0.15 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2i9y s VAL 75 CO -0.03 -0.36 -0.13 -0.36 0.00 0.00 0.00 175.10 174.23 2i9y s PHE 76 N -2.07 1.92 0.04 5.22 0.08 -1.26 -3.65 117.98 118.26 2i9y s PHE 76 Ca 0.12 -0.99 0.09 0.00 0.12 0.00 0.00 56.93 56.28 2i9y s PHE 76 Cb -0.05 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 2i9y s PHE 76 CO 0.05 -0.55 -0.25 -0.46 -0.10 0.00 0.00 175.22 173.90 2i9y s TRP 77 N 1.33 2.35 -0.12 0.36 -0.11 -1.21 -4.97 118.94 116.57 2i9y s TRP 77 Ca 0.00 -0.40 -0.02 0.00 1.22 0.00 0.00 56.10 56.91 2i9y s TRP 77 Cb -0.14 -1.40 -0.03 0.00 -1.50 0.00 0.00 33.47 30.40 2i9y s TRP 77 CO -0.06 0.14 -0.06 -0.80 -4.62 0.00 0.00 176.95 171.54 2i9y s ASN 78 N -1.24 4.64 0.04 5.86 -0.87 -1.26 -1.43 114.94 120.68 2i9y s ASN 78 Ca 0.12 -0.12 -0.01 0.00 -1.57 0.00 0.00 52.86 51.28 2i9y s ASN 78 Cb -0.10 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 2i9y s ASN 78 CO 0.02 0.23 -0.03 -0.72 -2.57 0.00 0.00 177.10 174.03 2i9y s TYR 79 N -0.01 0.45 -0.28 2.20 1.13 -0.30 -4.96 117.35 115.59 2i9y s TYR 79 Ca -0.00 -0.92 -0.08 0.00 -1.41 0.00 0.00 57.07 54.66 2i9y s TYR 79 Cb -0.13 -0.34 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 2i9y s TYR 79 CO 0.03 -0.32 0.10 0.08 -2.51 0.00 0.00 175.55 172.92 2i9y s VAL 80 N -3.23 4.34 -0.02 -3.49 1.01 -1.26 0.25 120.40 118.00 2i9y s VAL 80 Ca 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 2i9y s VAL 80 Cb 0.03 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2i9y s VAL 80 CO -0.07 0.21 0.03 -2.28 0.00 0.00 0.00 175.10 172.99 2i9y s HIS 81 N 1.59 0.02 -1.47 5.22 5.04 0.56 -4.74 115.29 121.51 2i9y s HIS 81 Ca 0.05 0.12 0.00 0.00 -1.54 0.00 0.00 55.06 53.70 2i9y s HIS 81 Cb -0.16 -0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.25 2i9y s HIS 81 CO 0.04 -0.08 0.00 -0.25 -2.34 0.00 0.00 174.74 172.11 2i9y n ASP 82 N 4.07 -4.84 0.00 9.88 8.00 -1.26 -1.94 116.55 130.45 2i9y n ASP 82 Ca -0.26 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2i9y n ASP 82 Cb 0.51 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 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 -1.01 2.94 3.87 0.44 0.00 -1.26 -5.00 105.19 105.16 2i9y n GLY 83 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.03 3.70 -0.35 1.61 8.01 -0.82 -5.04 118.70 125.78 2i9y s GLU 84 Ca 0.00 0.09 -0.25 0.00 0.01 0.00 0.00 54.97 54.83 2i9y s GLU 84 Cb 0.00 -3.06 0.01 0.00 -4.31 0.00 0.00 34.13 26.77 2i9y s GLU 84 CO 0.00 0.62 0.86 0.00 0.01 0.00 0.00 175.26 176.74 2i9y s ALA 85 N -1.31 3.45 0.22 5.21 0.00 -1.26 -0.32 121.76 127.74 2i9y s ALA 85 Ca 0.29 -0.49 0.09 0.00 0.00 0.00 0.00 51.96 51.85 2i9y s ALA 85 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2i9y s ALA 85 CO 0.16 -1.47 -0.02 0.15 0.00 0.00 0.00 175.76 174.58 2i9y s LYS 86 N 3.25 2.28 -0.02 0.00 1.02 0.14 -4.91 119.74 121.50 2i9y s LYS 86 Ca 0.35 -1.30 0.05 0.00 0.02 0.00 0.00 55.97 55.09 2i9y s LYS 86 Cb -0.13 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2i9y s LYS 86 CO 0.16 0.40 -0.15 0.08 -0.92 0.00 0.00 175.35 174.92 2i9y s VAL 87 N -2.03 2.98 -0.27 3.17 1.01 -1.26 -1.15 120.40 122.84 2i9y s VAL 87 Ca 0.29 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2i9y s VAL 87 Cb -0.08 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2i9y s VAL 87 CO 0.19 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.84 2i9y s ALA 88 N -0.80 3.00 -0.27 5.51 0.00 -0.51 -5.00 121.76 123.69 2i9y s ALA 88 Ca 0.13 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 2i9y s ALA 88 Cb -0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2i9y s ALA 88 CO 0.02 -0.79 0.15 0.15 0.00 0.00 0.00 175.76 175.29 2i9y s LYS 89 N 1.49 3.82 0.08 0.00 1.02 -1.26 -3.28 119.74 121.62 2i9y s LYS 89 Ca 0.03 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 2i9y s LYS 89 Cb -0.16 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2i9y s LYS 89 CO 0.01 -0.19 0.00 -1.83 -0.92 0.00 0.00 175.35 172.42 2i9y s GLU 90 N 1.71 0.74 -0.01 1.68 -1.05 -1.24 -2.24 118.70 118.29 2i9y s GLU 90 Ca 0.07 -1.31 0.01 0.00 -0.15 0.00 0.00 54.97 53.59 2i9y s GLU 90 Cb -0.16 0.20 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 2i9y s GLU 90 CO 0.08 -0.16 -0.04 0.50 0.95 0.00 0.00 175.26 176.60 2i9y s ARG 91 N -3.96 0.42 -0.07 -4.83 3.52 0.38 -3.45 118.95 110.95 2i9y s ARG 91 Ca 0.14 -0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 2i9y s ARG 91 Cb 0.08 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.99 2i9y s ARG 91 CO -0.05 0.03 1.33 0.42 -0.81 0.00 0.00 175.30 176.22 2i9y s ILE 92 N 0.26 4.02 -0.23 4.11 1.01 0.11 -0.73 121.20 129.75 2i9y s ILE 92 Ca -0.03 1.32 0.02 0.00 0.00 0.00 0.00 60.65 61.97 2i9y s ILE 92 Cb -0.06 -3.85 -0.19 0.00 0.01 0.00 0.00 42.46 38.37 2i9y s ILE 92 CO -0.00 -0.05 -0.11 1.21 0.00 0.00 0.00 174.94 175.99 2i9y n GLU 93 N 5.93 0.67 -3.64 2.79 4.07 0.01 -1.26 120.64 129.20 2i9y n GLU 93 Ca 0.13 0.16 -0.15 0.00 -0.06 0.00 0.00 57.16 57.24 2i9y n GLU 93 Cb 0.45 -1.55 -0.08 0.00 -0.06 0.00 0.00 31.44 30.20 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 -2.52 -1.47 -0.09 4.31 0.00 -1.22 -4.78 121.76 115.99 2i9y s ALA 94 Ca -0.31 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2i9y s ALA 94 Cb 0.08 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.63 2i9y s ALA 94 CO 0.65 -0.30 0.23 0.54 0.00 0.00 0.00 175.76 176.88 2i9y s VAL 95 N -0.26 -0.02 -0.25 0.00 0.11 -1.26 -0.08 120.40 118.64 2i9y s VAL 95 Ca -0.04 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2i9y s VAL 95 Cb -0.03 -0.35 0.08 0.00 -1.53 0.00 0.00 36.38 34.55 2i9y s VAL 95 CO 0.04 0.03 0.04 -0.70 -3.33 0.00 0.00 175.10 171.17 2i9y s GLU 96 N 0.68 0.94 0.39 1.54 2.56 0.84 -4.99 118.70 120.65 2i9y s GLU 96 Ca -0.05 -0.85 0.15 0.00 0.00 0.00 0.00 54.97 54.23 2i9y s GLU 96 Cb -0.06 -2.22 0.79 0.00 2.00 0.00 0.00 34.13 34.64 2i9y s GLU 96 CO -0.04 -0.77 1.83 -1.00 -0.56 0.00 0.00 175.26 174.73 2i9y h PRO 97 N 8.10 0.00 -0.02 4.30 0.13 -1.96 0.18 132.00 142.73 2i9y h PRO 97 Ca -0.15 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.77 2i9y h PRO 97 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2i9y h PRO 97 CO 0.41 0.35 -0.86 0.22 -0.23 0.00 0.00 178.00 177.89 2i9y h ASP 98 N 0.00 0.45 -0.17 1.44 3.58 -1.94 -3.05 116.42 116.73 2i9y h ASP 98 Ca -0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2i9y h ASP 98 Cb 0.68 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2i9y h ASP 98 CO 0.05 1.12 0.00 0.29 -2.88 0.00 0.00 179.24 177.82 2i9y n LYS 99 N -3.75 2.37 -3.53 0.28 4.76 -1.19 -4.95 118.16 112.14 2i9y n LYS 99 Ca -0.05 -2.02 -0.20 0.00 -2.87 0.00 0.00 58.31 53.17 2i9y n LYS 99 Cb 0.79 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.58 2i9y n LYS 99 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2i9y n ASN 100 N 1.34 -3.64 -4.32 4.39 3.02 -0.53 -4.59 115.26 110.93 2i9y n ASN 100 Ca 0.16 -0.62 -0.32 0.00 -0.03 0.00 0.00 54.58 53.78 2i9y n ASN 100 Cb 0.59 -4.95 -0.16 0.00 -0.61 0.00 0.00 39.78 34.65 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 -6.77 2.24 -0.13 3.41 2.96 0.53 -1.47 118.68 119.47 2i9y s LEU 101 Ca 0.24 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2i9y s LEU 101 Cb -0.11 -1.42 0.06 0.00 0.50 0.00 0.00 46.19 45.22 2i9y s LEU 101 CO 0.74 0.27 0.28 -0.51 -1.32 0.00 0.00 176.35 175.80 2i9y s ILE 102 N -0.27 -0.32 -0.28 6.68 1.10 -0.38 -0.12 121.20 127.60 2i9y s ILE 102 Ca 0.00 0.23 -0.11 0.00 -0.51 0.00 0.00 60.65 60.26 2i9y s ILE 102 Cb -0.13 -0.45 -0.05 0.00 0.15 0.00 0.00 42.46 41.98 2i9y s ILE 102 CO 0.03 0.10 0.20 -0.89 -2.11 0.00 0.00 174.94 172.26 2i9y s THR 103 N 2.11 5.31 -0.10 4.00 2.01 0.88 -1.15 115.64 128.70 2i9y s THR 103 Ca -0.02 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 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 -0.09 0.24 0.08 -0.36 -0.69 0.00 0.00 174.62 173.80 2i9y s PHE 104 N 1.76 3.40 -0.14 4.92 0.08 0.14 -0.81 117.98 127.33 2i9y s PHE 104 Ca 0.07 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.49 2i9y s PHE 104 Cb -0.16 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 2i9y s PHE 104 CO 0.11 0.61 -0.12 0.50 -0.10 0.00 0.00 175.22 176.22 2i9y s ARG 105 N -1.04 2.03 0.27 0.44 3.00 0.09 -1.04 118.95 122.71 2i9y s ARG 105 Ca 0.15 -0.45 -0.29 0.00 -1.00 0.00 0.00 55.73 54.13 2i9y s ARG 105 Cb -0.12 -1.93 -0.09 0.00 0.00 0.00 0.00 34.95 32.81 2i9y s ARG 105 CO 0.04 -0.25 1.16 0.54 0.00 0.00 0.00 175.30 176.79 2i9y s VAL 106 N 1.56 3.34 -0.14 7.11 0.11 -0.93 -0.47 120.40 131.00 2i9y s VAL 106 Ca 0.05 1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 60.41 2i9y s VAL 106 Cb -0.13 -3.84 -0.08 0.00 -1.53 0.00 0.00 36.38 30.80 2i9y s VAL 106 CO -0.10 0.30 -0.13 2.30 -3.33 0.00 0.00 175.10 174.13 2i9y n ILE 107 N 1.33 0.79 -3.71 7.04 -5.35 -0.95 -4.78 119.36 113.72 2i9y n ILE 107 Ca -0.00 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 2i9y n ILE 107 Cb 0.44 -1.13 -0.08 0.00 -1.74 0.00 0.00 39.64 37.13 2i9y n ILE 107 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2i9y s GLU 108 N -2.27 0.70 0.00 6.28 2.12 -1.25 -4.98 118.70 119.30 2i9y s GLU 108 Ca -0.19 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2i9y s GLU 108 Cb 0.05 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.77 2i9y s GLU 108 CO 0.30 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 2i9y n GLY 109 N 1.56 0.97 0.35 -1.50 0.00 -1.26 -4.06 105.19 101.25 2i9y n GLY 109 Ca -0.19 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.97 -0.43 1.61 3.32 -2.01 -2.94 116.42 116.93 2i9y h ASP 110 Ca 0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2i9y h ASP 110 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2i9y h ASP 110 CO 0.00 0.75 0.15 -0.07 -1.72 0.00 0.00 179.24 178.35 2i9y h LEU 111 N 1.12 0.67 0.00 1.55 3.38 -1.93 -1.57 115.31 118.53 2i9y h LEU 111 Ca 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2i9y h LEU 111 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2i9y h LEU 111 CO -0.05 0.65 0.00 0.23 0.09 0.00 0.00 178.44 179.35 2i9y n MET 112 N -4.31 0.23 0.00 1.13 2.81 -1.11 -0.70 117.12 115.17 2i9y n MET 112 Ca 0.04 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.16 2i9y n MET 112 Cb 0.19 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.33 0.08 0.00 0.03 4.76 -0.59 -4.23 118.16 116.88 2i9y n LYS 113 Ca 0.09 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2i9y n LYS 113 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2i9y n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2i9y n GLU 114 N -1.43 1.01 -3.71 1.97 4.07 -1.09 -5.00 120.64 116.46 2i9y n GLU 114 Ca 0.07 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.80 2i9y n GLU 114 Cb 0.33 -0.66 -0.12 0.00 -0.06 0.00 0.00 31.44 30.93 2i9y n GLU 114 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2i9y s TYR 115 N -1.32 3.14 -1.17 4.31 2.02 0.13 -0.01 117.35 124.45 2i9y s TYR 115 Ca 0.00 -0.21 0.25 0.00 -0.37 0.00 0.00 57.07 56.74 2i9y s TYR 115 Cb 0.00 -2.28 1.15 0.00 -0.40 0.00 0.00 41.96 40.43 2i9y s TYR 115 CO 0.00 -0.27 1.82 0.36 -1.57 0.00 0.00 175.55 175.90 2i9y n LYS 116 N 4.90 0.14 -3.64 -0.62 2.85 -0.58 -3.91 118.16 117.31 2i9y n LYS 116 Ca -0.15 0.06 -0.09 0.00 -1.05 0.00 0.00 58.31 57.08 2i9y n LYS 116 Cb 0.52 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.33 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 -2.83 -0.85 -0.19 -5.58 0.15 -1.25 -4.99 113.70 98.15 2i9y s SER 117 Ca 0.17 1.44 -0.05 0.00 0.70 0.00 0.00 55.95 58.21 2i9y s SER 117 Cb 0.17 1.39 0.07 0.00 -1.71 0.00 0.00 66.02 65.93 2i9y s SER 117 CO 0.43 -0.23 0.10 0.12 1.20 0.00 0.00 173.24 174.86 2i9y s PHE 118 N 1.19 0.20 -0.12 3.44 5.36 -1.26 -0.69 117.98 126.09 2i9y s PHE 118 Ca -0.06 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.52 2i9y s PHE 118 Cb -0.05 -0.72 -0.01 0.00 -0.34 0.00 0.00 43.02 41.90 2i9y s PHE 118 CO -0.13 -0.57 -0.17 -1.17 -1.46 0.00 0.00 175.22 171.72 2i9y s LEU 119 N 2.14 2.48 -0.04 6.12 2.96 0.30 -2.18 118.68 130.46 2i9y s LEU 119 Ca 0.03 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2i9y s LEU 119 Cb -0.16 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.00 2i9y s LEU 119 CO -0.14 0.15 -0.08 -1.48 -1.32 0.00 0.00 176.35 173.47 2i9y s LEU 120 N 0.42 1.62 -0.09 -0.68 2.34 -0.20 -0.15 118.68 121.93 2i9y s LEU 120 Ca -0.13 -0.19 0.04 0.00 0.06 0.00 0.00 54.13 53.92 2i9y s LEU 120 Cb -0.16 -0.57 -0.00 0.00 -0.56 0.00 0.00 46.19 44.89 2i9y s LEU 120 CO 0.06 0.02 -0.23 -0.89 -1.06 0.00 0.00 176.35 174.25 2i9y s THR 121 N 0.51 1.96 0.07 5.48 2.01 0.63 0.24 115.64 126.55 2i9y s THR 121 Ca -0.08 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.04 2i9y s THR 121 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2i9y s THR 121 CO 0.01 0.54 -0.26 0.27 -0.69 0.00 0.00 174.62 174.49 2i9y s ILE 122 N 0.24 2.14 -0.08 1.82 -4.36 -0.30 -0.35 121.20 120.31 2i9y s ILE 122 Ca -0.15 -1.50 -0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2i9y s ILE 122 Cb -0.17 -1.85 0.04 0.00 1.25 0.00 0.00 42.46 41.73 2i9y s ILE 122 CO 0.07 0.25 0.16 -1.58 0.24 0.00 0.00 174.94 174.09 2i9y s GLN 123 N -1.53 0.10 -0.38 0.37 0.74 -0.64 -1.25 119.66 117.08 2i9y s GLN 123 Ca 0.12 0.43 -0.17 0.00 0.05 0.00 0.00 55.36 55.79 2i9y s GLN 123 Cb -0.10 -0.18 0.00 0.00 1.10 0.00 0.00 33.01 33.83 2i9y s GLN 123 CO 0.03 -0.19 0.46 0.08 -0.55 0.00 0.00 175.29 175.12 2i9y s VAL 124 N 1.37 5.07 -0.11 1.34 1.01 -0.54 -0.43 120.40 128.10 2i9y s VAL 124 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2i9y s VAL 124 Cb -0.11 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2i9y s VAL 124 CO -0.06 -0.28 -0.13 -0.89 0.00 0.00 0.00 175.10 173.73 2i9y s THR 125 N 2.24 3.04 -1.04 3.92 2.01 0.78 -4.69 115.64 121.90 2i9y s THR 125 Ca 0.15 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 2i9y s THR 125 Cb -0.16 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2i9y s THR 125 CO 0.13 0.54 1.85 -2.16 -0.69 0.00 0.00 174.62 174.29 2i9y s PRO 126 N 0.15 2.81 -0.18 4.92 0.04 -1.26 -1.14 135.00 140.34 2i9y s PRO 126 Ca -0.07 -0.83 -0.16 0.00 0.04 0.00 0.00 61.00 59.98 2i9y s PRO 126 Cb -0.15 -5.20 -0.12 0.00 0.04 0.00 0.00 34.50 29.06 2i9y s PRO 126 CO 0.05 -3.29 0.07 -0.22 0.04 0.00 0.00 177.00 173.65 2i9y h LYS 127 N 10.27 0.00 0.00 4.56 3.64 -1.88 -3.39 116.57 129.77 2i9y h LYS 127 Ca 0.18 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2i9y h LYS 127 Cb 0.97 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2i9y h LYS 127 CO 1.27 0.58 -0.45 -1.35 -2.27 0.00 0.00 179.45 177.22 2i9y h PRO 128 N -1.00 0.00 0.00 1.90 0.11 -1.86 -3.50 132.00 127.66 2i9y h PRO 128 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2i9y h PRO 128 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2i9y h PRO 128 CO -0.12 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 2i9y n GLY 129 N 1.21 -0.47 0.00 -0.55 0.00 -1.26 -5.05 105.19 99.07 2i9y n GLY 129 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.40 3.72 -0.02 0.00 -1.26 -4.56 105.19 103.47 2i9y n GLY 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.52 4.14 -0.08 1.61 0.04 -1.26 -4.02 135.00 134.91 2i9y s PRO 131 Ca 0.00 2.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 2i9y s PRO 131 Cb 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2i9y s PRO 131 CO 0.00 -0.74 0.07 0.41 0.04 0.00 0.00 177.00 176.78 2i9y n GLY 132 N 3.96 -1.85 4.02 0.56 0.00 -0.66 -4.95 105.19 106.27 2i9y n GLY 132 Ca 0.16 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.91 5.32 -0.12 1.61 0.01 -0.28 -4.44 113.70 114.90 2i9y s SER 133 Ca 0.03 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2i9y s SER 133 Cb -0.01 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2i9y s SER 133 CO 0.17 -1.10 -0.14 -0.63 0.41 0.00 0.00 173.24 171.94 2i9y s ILE 134 N -2.55 2.95 -0.23 1.44 -1.09 -0.29 -1.26 121.20 120.16 2i9y s ILE 134 Ca 0.59 -0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 58.23 2i9y s ILE 134 Cb -0.08 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.55 2i9y s ILE 134 CO 0.37 0.53 0.07 0.54 -1.23 0.00 0.00 174.94 175.22 2i9y s VAL 135 N 0.27 4.47 -0.38 2.92 0.11 0.28 -0.16 120.40 127.91 2i9y s VAL 135 Ca -0.10 -0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 58.64 2i9y s VAL 135 Cb -0.16 -3.07 0.01 0.00 -1.53 0.00 0.00 36.38 31.63 2i9y s VAL 135 CO 0.06 0.36 0.52 -1.00 -3.33 0.00 0.00 175.10 171.71 2i9y s HIS 136 N 1.31 3.16 -0.26 1.54 3.76 0.43 -1.14 115.29 124.07 2i9y s HIS 136 Ca 0.05 0.02 -0.12 0.00 -0.15 0.00 0.00 55.06 54.86 2i9y s HIS 136 Cb -0.15 -2.99 -0.05 0.00 1.11 0.00 0.00 32.58 30.50 2i9y s HIS 136 CO 0.04 -0.63 0.22 -1.58 -0.85 0.00 0.00 174.74 171.94 2i9y s TRP 137 N 2.41 3.26 -0.23 1.40 0.52 0.10 -1.62 118.94 124.78 2i9y s TRP 137 Ca 0.18 0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.52 2i9y s TRP 137 Cb -0.16 -2.39 0.05 0.00 -1.15 0.00 0.00 33.47 29.83 2i9y s TRP 137 CO 0.14 -0.11 -0.08 -1.58 0.02 0.00 0.00 176.95 175.34 2i9y s HIS 138 N 1.61 2.59 -0.13 -1.98 2.46 0.52 -1.52 115.29 118.84 2i9y s HIS 138 Ca 0.09 -1.82 -0.02 0.00 0.47 0.00 0.00 55.06 53.79 2i9y s HIS 138 Cb -0.15 -1.68 -0.02 0.00 -0.13 0.00 0.00 32.58 30.60 2i9y s HIS 138 CO 0.09 -0.79 -0.07 -0.51 -2.47 0.00 0.00 174.74 170.99 2i9y s LEU 139 N 1.33 3.08 -0.06 8.88 1.02 0.13 -0.27 118.68 132.81 2i9y s LEU 139 Ca -0.05 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.96 2i9y s LEU 139 Cb -0.18 -1.71 0.02 0.00 0.02 0.00 0.00 46.19 44.34 2i9y s LEU 139 CO -0.07 0.22 -0.07 -1.61 0.02 0.00 0.00 176.35 174.84 2i9y s GLU 140 N 0.07 1.13 0.06 1.70 2.02 0.78 -0.51 118.70 123.94 2i9y s GLU 140 Ca -0.02 -0.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.69 2i9y s GLU 140 Cb -0.14 -1.07 -0.00 0.00 0.10 0.00 0.00 34.13 33.02 2i9y s GLU 140 CO 0.03 -0.07 0.17 1.52 0.02 0.00 0.00 175.26 176.93 2i9y s TYR 141 N 0.94 0.13 -0.22 1.61 1.13 0.42 -0.54 117.35 120.82 2i9y s TYR 141 Ca -0.10 -0.45 -0.04 0.00 -1.41 0.00 0.00 57.07 55.06 2i9y s TYR 141 Cb -0.15 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 2i9y s TYR 141 CO 0.00 -0.46 -0.03 -2.00 -2.51 0.00 0.00 175.55 170.56 2i9y s GLU 142 N -3.10 3.45 0.05 -3.49 2.56 0.13 -0.47 118.70 117.84 2i9y s GLU 142 Ca -0.01 -0.59 -0.28 0.00 0.00 0.00 0.00 54.97 54.09 2i9y s GLU 142 Cb 0.01 -3.04 -0.05 0.00 2.00 0.00 0.00 34.13 33.05 2i9y s GLU 142 CO -0.07 -0.14 0.90 0.15 -0.56 0.00 0.00 175.26 175.54 2i9y s LYS 143 N 1.37 4.59 -0.07 4.30 -0.14 0.40 -1.52 119.74 128.67 2i9y s LYS 143 Ca 0.04 1.31 -0.25 0.00 -1.36 0.00 0.00 55.97 55.72 2i9y s LYS 143 Cb -0.14 -3.40 -0.26 0.00 -1.68 0.00 0.00 37.83 32.34 2i9y s LYS 143 CO -0.01 0.14 0.95 0.82 -0.76 0.00 0.00 175.35 176.49 2i9y h ILE 144 N 4.33 1.59 -0.85 2.17 2.04 -0.74 -3.46 117.51 122.60 2i9y h ILE 144 Ca -0.42 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.26 2i9y h ILE 144 Cb 1.21 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 2i9y h ILE 144 CO 0.73 0.60 0.00 -0.24 0.00 0.00 0.00 178.15 179.23 2i9y n SER 145 N -4.42 0.14 0.00 1.72 2.88 -1.26 -5.08 113.62 107.60 2i9y n SER 145 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2i9y n SER 145 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2i9y n SER 145 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2i9y n GLU 146 N 0.00 2.61 0.28 -1.46 1.02 -1.26 -4.60 120.64 117.23 2i9y n GLU 146 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 2i9y n GLU 146 Cb 0.00 -0.83 0.81 0.00 -0.02 0.00 0.00 31.44 31.39 2i9y n GLU 146 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2i9y h GLU 147 N 0.00 0.00 0.00 3.49 5.08 -2.00 -2.39 114.58 118.75 2i9y h GLU 147 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2i9y h GLU 147 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2i9y h GLU 147 CO 0.00 0.08 -1.71 0.28 -1.00 0.00 0.00 179.01 176.66 2i9y n VAL 148 N -3.54 0.12 -1.72 3.13 0.31 -1.26 -4.97 118.33 110.40 2i9y n VAL 148 Ca -0.02 -0.37 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 2i9y n VAL 148 Cb 0.21 0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 2i9y n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i9y n ALA 149 N -2.08 2.30 -3.16 3.52 0.00 -0.90 -4.90 120.51 115.30 2i9y n ALA 149 Ca -0.05 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 2i9y n ALA 149 Cb 0.46 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 2i9y n ALA 149 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2i9y s HIS 150 N 0.29 -0.76 -0.76 0.00 -3.43 -1.26 -4.94 115.29 104.42 2i9y s HIS 150 Ca 0.68 -0.78 0.13 0.00 -0.80 0.00 0.00 55.06 54.29 2i9y s HIS 150 Cb -0.53 -0.12 0.58 0.00 -1.43 0.00 0.00 32.58 31.07 2i9y s HIS 150 CO 0.45 -1.08 1.39 -2.30 -2.00 0.00 0.00 174.74 171.19 2i9y n PRO 151 N 3.66 0.06 -0.19 -0.38 -0.02 -1.26 -2.39 135.00 134.47 2i9y n PRO 151 Ca 0.16 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2i9y n PRO 151 Cb 0.51 -1.65 0.10 0.00 -0.02 0.00 0.00 33.50 32.44 2i9y n PRO 151 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i9y h GLU 152 N 0.00 0.32 0.01 -0.52 4.39 -2.00 -1.36 114.58 115.41 2i9y h GLU 152 Ca 0.00 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 2i9y h GLU 152 Cb 0.14 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2i9y h GLU 152 CO 0.00 0.21 -1.13 1.79 -1.16 0.00 0.00 179.01 178.72 2i9y h THR 153 N 0.33 1.56 -0.36 1.13 1.35 -1.91 -3.12 112.91 111.88 2i9y h THR 153 Ca 0.30 -3.29 -0.03 0.00 -0.55 0.00 0.00 66.41 62.84 2i9y h THR 153 Cb 0.41 2.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 2i9y h THR 153 CO -0.34 0.89 0.12 -0.07 -0.25 0.00 0.00 175.52 175.87 2i9y h LEU 154 N 0.00 0.53 -0.76 3.87 3.38 -1.48 0.33 115.31 121.18 2i9y h LEU 154 Ca -0.06 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 2i9y h LEU 154 Cb 1.82 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2i9y h LEU 154 CO 0.12 0.59 -0.48 0.25 0.09 0.00 0.00 178.44 179.01 2i9y h LEU 155 N 0.44 0.36 -0.40 1.67 5.85 -1.36 -1.38 115.31 120.48 2i9y h LEU 155 Ca 0.12 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 2i9y h LEU 155 Cb 0.25 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2i9y h LEU 155 CO -0.00 0.79 -0.44 1.56 -0.34 0.00 0.00 178.44 180.00 2i9y h GLN 156 N 0.27 0.86 -0.90 1.25 1.08 -1.40 -2.22 115.11 114.04 2i9y h GLN 156 Ca 0.01 -0.48 0.07 0.00 -1.45 0.00 0.00 58.65 56.80 2i9y h GLN 156 Cb 0.95 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.34 2i9y h GLN 156 CO 0.08 1.12 0.56 0.35 -0.95 0.00 0.00 178.83 179.99 2i9y h PHE 157 N 0.69 1.04 -0.11 2.96 3.57 -0.03 -0.19 116.94 124.86 2i9y h PHE 157 Ca 0.04 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2i9y h PHE 157 Cb 1.03 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 2i9y h PHE 157 CO 0.06 0.52 -0.07 0.00 -2.23 0.00 0.00 178.31 176.59 2i9y h VAL 159 N -0.07 1.18 -0.30 0.00 2.07 -0.65 0.89 116.25 119.37 2i9y h VAL 159 Ca 0.07 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2i9y h VAL 159 Cb 0.18 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2i9y h VAL 159 CO -0.16 0.19 0.15 -0.33 0.02 0.00 0.00 177.57 177.43 2i9y h GLU 160 N 0.74 0.43 -0.25 1.57 4.39 -0.86 -1.08 114.58 119.51 2i9y h GLU 160 Ca 0.20 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 2i9y h GLU 160 Cb 0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2i9y h GLU 160 CO -0.03 0.40 -0.31 0.28 -1.16 0.00 0.00 179.01 178.18 2i9y h VAL 161 N 0.35 1.28 -0.72 3.13 2.07 -1.08 -2.13 116.25 119.15 2i9y h VAL 161 Ca 0.10 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.24 2i9y h VAL 161 Cb 0.11 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2i9y h VAL 161 CO -0.01 0.44 0.47 0.28 0.02 0.00 0.00 177.57 178.77 2i9y h SER 162 N 0.45 0.82 -0.31 0.57 0.02 -0.22 0.27 113.55 115.14 2i9y h SER 162 Ca 0.06 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2i9y h SER 162 Cb 0.76 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2i9y h SER 162 CO 0.06 0.59 0.17 0.11 -1.14 0.00 0.00 176.83 176.62 2i9y h LYS 163 N 0.96 0.43 0.19 3.45 1.57 -1.00 -0.99 116.57 121.18 2i9y h LYS 163 Ca 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2i9y h LYS 163 Cb -0.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2i9y h LYS 163 CO -0.06 0.36 -0.09 1.49 -0.57 0.00 0.00 179.45 180.58 2i9y h GLU 164 N 0.39 -0.25 -0.21 3.15 4.57 -0.73 -2.75 114.58 118.75 2i9y h GLU 164 Ca 0.11 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 2i9y h GLU 164 Cb 0.05 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2i9y h GLU 164 CO -0.02 -0.10 -0.35 0.97 -1.18 0.00 0.00 179.01 178.33 2i9y h ILE 165 N -0.33 1.32 0.14 2.32 6.09 -0.44 -1.75 117.51 124.86 2i9y h ILE 165 Ca -0.03 -1.57 -0.01 0.00 -1.37 0.00 0.00 64.86 61.89 2i9y h ILE 165 Cb 0.26 1.81 -0.00 0.00 0.47 0.00 0.00 36.82 39.35 2i9y h ILE 165 CO 0.04 0.49 -0.08 -0.78 -3.07 0.00 0.00 178.15 174.75 2i9y h ASP 166 N 0.30 -0.20 0.31 2.19 3.58 -1.22 0.73 116.42 122.11 2i9y h ASP 166 Ca 0.02 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 2i9y h ASP 166 Cb 0.94 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2i9y h ASP 166 CO 0.08 -0.13 -0.41 -0.33 -2.88 0.00 0.00 179.24 175.56 2i9y h GLU 167 N -0.21 0.14 -0.30 0.28 5.08 -1.55 -2.83 114.58 115.19 2i9y h GLU 167 Ca -0.02 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2i9y h GLU 167 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2i9y h GLU 167 CO 0.02 0.53 0.01 1.25 -1.00 0.00 0.00 179.01 179.82 2i9y h HIS 168 N 0.12 0.57 -0.18 4.33 2.76 -0.81 -3.02 115.15 118.92 2i9y h HIS 168 Ca 0.01 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.01 2i9y h HIS 168 Cb 0.79 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2i9y h HIS 168 CO 0.01 0.66 -0.22 -0.07 -1.30 0.00 0.00 177.93 177.01 2i9y h LEU 169 N 0.32 0.31 -1.88 0.26 3.38 -0.72 -1.73 115.31 115.25 2i9y h LEU 169 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i9y h LEU 169 Cb 0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2i9y h LEU 169 CO 0.01 0.54 -0.01 -0.07 0.09 0.00 0.00 178.44 179.01 2i9y h LEU 170 N 0.29 0.00 0.00 1.67 3.38 -1.41 -2.69 115.31 116.55 2i9y h LEU 170 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2i9y h LEU 170 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2i9y h LEU 170 CO 0.04 0.01 -0.92 0.00 0.09 0.00 0.00 178.44 177.65 2i9y h ALA 171 N 1.99 0.58 -4.88 1.53 0.00 -1.19 -3.48 119.26 113.81 2i9y h ALA 171 Ca -0.00 -0.11 -0.50 0.00 0.00 0.00 0.00 54.91 54.30 2i9y h ALA 171 Cb 0.38 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2i9y h ALA 171 CO 0.00 0.12 -0.35 -0.85 0.00 0.00 0.00 179.25 178.18 2i9y n GLU 172 N -2.77 1.04 0.00 0.00 0.28 -1.02 -4.81 120.64 113.37 2i9y n GLU 172 Ca -0.01 -2.79 0.03 0.00 -0.16 0.00 0.00 57.16 54.23 2i9y n GLU 172 Cb 0.59 0.69 0.17 0.00 1.43 0.00 0.00 31.44 34.32 2i9y n GLU 172 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12