#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 2.97 0.00 -2.82 0.41 -1.26 -3.37 118.70 114.63 2i9y s GLU 18 Ca 0.00 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 2i9y s GLU 18 Cb 0.00 -5.16 0.00 0.00 -1.78 0.00 0.00 34.13 27.19 2i9y s GLU 18 CO 0.00 -2.89 0.00 0.00 -0.49 0.00 0.00 175.26 171.88 2i9y n ALA 19 N 11.89 0.00 -0.07 5.21 0.00 -1.26 -5.06 120.51 131.23 2i9y n ALA 19 Ca 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 2i9y n ALA 19 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2i9y n ALA 19 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2i9y h SER 20 N 0.00 0.01 0.78 0.00 0.02 -1.99 -2.81 113.55 109.56 2i9y h SER 20 Ca 0.00 0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.76 2i9y h SER 20 Cb 0.00 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2i9y h SER 20 CO 0.00 0.04 -1.33 0.28 -1.14 0.00 0.00 176.83 174.69 2i9y h SER 21 N 0.15 0.00 0.00 3.07 0.02 -1.97 -3.47 113.55 111.35 2i9y h SER 21 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2i9y h SER 21 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2i9y h SER 21 CO -0.16 0.89 0.00 0.18 -1.14 0.00 0.00 176.83 176.60 2i9y n LEU 22 N -3.13 0.73 -4.61 5.07 4.77 -1.06 -4.96 117.00 113.80 2i9y n LEU 22 Ca -0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 2i9y n LEU 22 Cb 0.95 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 2i9y n LEU 22 CO 0.45 -0.55 0.16 -0.69 -1.33 0.00 0.00 177.39 175.43 2i9y s VAL 23 N -1.54 5.12 -0.16 4.08 1.01 -1.26 -1.14 120.40 126.50 2i9y s VAL 23 Ca 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 2i9y s VAL 23 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2i9y s VAL 23 CO 0.00 0.11 0.07 -0.83 0.00 0.00 0.00 175.10 174.45 2i9y s GLY 24 N 1.60 1.95 -0.05 4.51 0.00 0.95 -4.97 107.32 111.31 2i9y s GLY 24 Ca 0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 2i9y s GLY 24 CO 0.10 -0.06 0.10 -1.59 0.00 0.00 0.00 173.10 171.65 2i9y s LYS 25 N 0.04 0.05 -0.01 2.90 0.00 -1.26 0.30 119.74 121.77 2i9y s LYS 25 Ca 0.06 0.30 0.02 0.00 0.00 0.00 0.00 55.97 56.35 2i9y s LYS 25 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 37.83 37.51 2i9y s LYS 25 CO 0.01 -0.16 -0.07 -1.17 0.00 0.00 0.00 175.35 173.96 2i9y s LEU 26 N 1.08 2.00 -0.01 2.77 2.96 0.89 -4.98 118.68 123.39 2i9y s LEU 26 Ca -0.09 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2i9y s LEU 26 Cb -0.11 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 2i9y s LEU 26 CO -0.05 0.09 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.33 2i9y s GLU 27 N -0.15 1.02 0.06 1.98 2.02 -1.26 -0.01 118.70 122.37 2i9y s GLU 27 Ca 0.02 -0.46 -0.14 0.00 0.02 0.00 0.00 54.97 54.42 2i9y s GLU 27 Cb -0.03 -0.99 0.02 0.00 0.10 0.00 0.00 34.13 33.23 2i9y s GLU 27 CO -0.00 0.27 0.32 -0.08 0.02 0.00 0.00 175.26 175.78 2i9y s THR 28 N -0.31 0.09 -0.17 3.63 -1.32 -0.54 -5.02 115.64 111.99 2i9y s THR 28 Ca 0.05 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 2i9y s THR 28 Cb -0.05 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2i9y s THR 28 CO -0.00 -0.39 -0.13 1.51 -2.21 0.00 0.00 174.62 173.40 2i9y s ASP 29 N -2.30 3.01 -0.11 8.08 -4.77 -1.26 -0.11 116.67 119.21 2i9y s ASP 29 Ca -0.02 -0.66 -0.03 0.00 -3.30 0.00 0.00 52.55 48.54 2i9y s ASP 29 Cb 0.00 -1.21 -0.03 0.00 -1.09 0.00 0.00 42.92 40.59 2i9y s ASP 29 CO -0.06 -0.09 -0.00 -0.69 0.70 0.00 0.00 175.17 175.02 2i9y s VAL 30 N 1.44 4.24 0.09 2.11 1.01 -0.18 -4.91 120.40 124.19 2i9y s VAL 30 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 2i9y s VAL 30 Cb -0.14 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 2i9y s VAL 30 CO -0.10 0.57 0.51 -1.61 0.00 0.00 0.00 175.10 174.47 2i9y s GLU 31 N -0.50 4.01 0.37 2.72 8.01 -1.26 0.42 118.70 132.46 2i9y s GLU 31 Ca 0.09 0.52 0.08 0.00 0.01 0.00 0.00 54.97 55.66 2i9y s GLU 31 Cb -0.12 -3.09 -0.07 0.00 -4.31 0.00 0.00 34.13 26.54 2i9y s GLU 31 CO 0.02 0.58 -0.03 0.96 0.01 0.00 0.00 175.26 176.80 2i9y s ILE 32 N -1.28 1.99 -0.07 -1.63 -4.36 0.21 -4.92 121.20 111.14 2i9y s ILE 32 Ca 0.32 -2.08 0.19 0.00 -0.26 0.00 0.00 60.65 58.82 2i9y s ILE 32 Cb -0.17 -2.81 -0.29 0.00 1.25 0.00 0.00 42.46 40.45 2i9y s ILE 32 CO 0.18 -0.10 0.34 0.29 0.24 0.00 0.00 174.94 175.89 2i9y n LYS 33 N -0.85 0.70 -1.25 0.37 5.02 -1.26 -2.97 118.16 117.92 2i9y n LYS 33 Ca -0.05 -0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 55.79 2i9y n LYS 33 Cb 0.65 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 34.28 2i9y n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9y s ALA 34 N -3.13 2.14 -0.08 7.82 0.00 -1.26 -2.44 121.76 124.80 2i9y s ALA 34 Ca -0.08 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2i9y s ALA 34 Cb 0.11 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2i9y s ALA 34 CO 0.82 -1.87 0.28 -1.12 0.00 0.00 0.00 175.76 173.86 2i9y s SER 35 N -3.07 6.56 0.46 0.00 0.01 -1.26 -2.27 113.70 114.13 2i9y s SER 35 Ca 0.64 0.67 0.19 0.00 1.31 0.00 0.00 55.95 58.76 2i9y s SER 35 Cb -0.19 -2.17 1.17 0.00 0.21 0.00 0.00 66.02 65.04 2i9y s SER 35 CO 0.54 0.30 1.95 0.00 0.41 0.00 0.00 173.24 176.44 2i9y h ALA 36 N 5.27 2.24 -0.80 1.44 0.00 -1.91 -1.85 119.26 123.65 2i9y h ALA 36 Ca -0.50 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.49 2i9y h ALA 36 Cb 1.21 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2i9y h ALA 36 CO 0.64 -0.42 0.45 0.22 0.00 0.00 0.00 179.25 180.13 2i9y h ASP 37 N 0.28 0.65 0.55 0.00 3.58 -1.93 -1.53 116.42 118.02 2i9y h ASP 37 Ca 0.33 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.70 2i9y h ASP 37 Cb 0.89 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 2i9y h ASP 37 CO -0.08 0.38 -0.56 0.11 -2.88 0.00 0.00 179.24 176.22 2i9y h LYS 38 N 0.77 0.01 -0.46 0.28 1.57 -1.75 -1.02 116.57 115.99 2i9y h LYS 38 Ca 0.38 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 2i9y h LYS 38 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2i9y h LYS 38 CO -0.24 0.57 0.14 0.35 -0.57 0.00 0.00 179.45 179.70 2i9y h PHE 39 N 0.01 0.74 -0.14 -1.35 3.04 -1.36 -0.44 116.94 117.45 2i9y h PHE 39 Ca -0.01 -0.08 0.01 0.00 3.98 0.00 0.00 57.97 61.87 2i9y h PHE 39 Cb 0.99 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2i9y h PHE 39 CO 0.00 0.67 0.08 1.25 -2.02 0.00 0.00 178.31 178.28 2i9y h HIS 40 N 0.61 0.14 -0.35 0.41 2.76 -0.78 -3.17 115.15 114.76 2i9y h HIS 40 Ca 0.15 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2i9y h HIS 40 Cb 0.28 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2i9y h HIS 40 CO 0.01 0.09 0.00 0.45 -1.30 0.00 0.00 177.93 177.18 2i9y h HIS 41 N 0.16 0.68 0.00 5.26 3.86 -0.96 -3.22 115.15 120.93 2i9y h HIS 41 Ca 0.05 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 2i9y h HIS 41 Cb -0.00 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 2i9y h HIS 41 CO -0.08 0.72 -0.10 0.00 0.86 0.00 0.00 177.93 179.33 2i9y h MET 42 N 0.44 0.00 -0.38 2.45 -0.00 -1.06 -1.97 114.93 114.40 2i9y h MET 42 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 2i9y h MET 42 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 2i9y h MET 42 CO 0.02 0.10 0.00 0.34 -0.00 0.00 0.00 176.91 177.37 2i9y n PHE 43 N -3.53 0.49 0.98 -0.10 7.35 -1.20 -4.33 117.46 117.12 2i9y n PHE 43 Ca -0.02 -0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.41 2i9y n PHE 43 Cb 0.24 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.07 2i9y n PHE 43 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2i9y n ALA 44 N 1.41 2.47 0.00 3.13 0.00 -0.74 -4.83 120.51 121.94 2i9y n ALA 44 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2i9y n ALA 44 Cb 0.58 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.12 -0.51 3.15 0.00 0.00 -1.26 -5.13 105.19 101.56 2i9y n GLY 45 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2i9y n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9y s LYS 46 N -1.91 0.47 0.97 1.61 0.00 -1.26 -4.40 119.74 115.21 2i9y s LYS 46 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 55.97 55.71 2i9y s LYS 46 Cb 0.00 0.21 0.17 0.00 0.00 0.00 0.00 37.83 38.21 2i9y s LYS 46 CO 0.00 -0.11 1.16 -1.25 0.00 0.00 0.00 175.35 175.16 2i9y s PRO 47 N -0.90 0.69 -0.79 1.78 0.04 -1.26 -4.95 135.00 129.61 2i9y s PRO 47 Ca -0.10 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.82 2i9y s PRO 47 Cb -0.05 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2i9y s PRO 47 CO 0.02 -2.47 1.22 -1.01 0.04 0.00 0.00 177.00 174.80 2i9y s HIS 48 N -3.33 2.49 -0.21 0.56 3.76 -1.26 -4.96 115.29 112.33 2i9y s HIS 48 Ca 0.67 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.11 2i9y s HIS 48 Cb -0.12 -4.53 -0.00 0.00 1.11 0.00 0.00 32.58 29.03 2i9y s HIS 48 CO 0.54 -1.90 -0.07 -1.58 -0.85 0.00 0.00 174.74 170.88 2i9y s HIS 49 N 4.93 2.93 0.18 1.40 5.04 -1.26 -5.09 115.29 123.43 2i9y s HIS 49 Ca 0.34 -1.06 -0.24 0.00 -1.54 0.00 0.00 55.06 52.55 2i9y s HIS 49 Cb -0.08 -2.07 -0.08 0.00 0.04 0.00 0.00 32.58 30.38 2i9y s HIS 49 CO 0.07 -0.59 0.78 0.14 -2.34 0.00 0.00 174.74 172.79 2i9y s VAL 50 N 1.45 4.39 0.23 0.89 -7.23 -1.26 -4.76 120.40 114.10 2i9y s VAL 50 Ca 0.06 1.65 0.05 0.00 -1.81 0.00 0.00 61.98 61.92 2i9y s VAL 50 Cb -0.14 -4.09 -0.02 0.00 0.56 0.00 0.00 36.38 32.69 2i9y s VAL 50 CO -0.05 0.46 0.21 -0.24 -0.31 0.00 0.00 175.10 175.17 2i9y n SER 51 N 1.41 -0.54 -4.68 4.85 2.88 -1.26 -5.01 113.62 111.27 2i9y n SER 51 Ca -0.05 -2.49 -0.42 0.00 -1.33 0.00 0.00 58.87 54.58 2i9y n SER 51 Cb 0.49 1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 65.15 2i9y n SER 51 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2i9y s LYS 52 N -2.89 4.26 -0.41 -1.46 2.20 -1.26 -4.87 119.74 115.30 2i9y s LYS 52 Ca 0.27 1.95 -0.29 0.00 -0.36 0.00 0.00 55.97 57.55 2i9y s LYS 52 Cb 0.01 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2i9y s LYS 52 CO 0.19 -0.64 1.54 0.00 -0.36 0.00 0.00 175.35 176.08 2i9y s ALA 53 N 2.84 2.95 -0.44 3.13 0.00 -1.26 -4.54 121.76 124.44 2i9y s ALA 53 Ca 0.64 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.56 2i9y s ALA 53 Cb -0.30 -3.99 0.17 0.00 0.00 0.00 0.00 23.12 19.00 2i9y s ALA 53 CO 0.25 -2.56 0.49 -1.12 0.00 0.00 0.00 175.76 172.82 2i9y s SER 54 N 4.75 0.31 0.47 0.00 0.01 -1.26 -5.14 113.70 112.84 2i9y s SER 54 Ca 0.66 -2.16 -0.21 0.00 1.31 0.00 0.00 55.95 55.55 2i9y s SER 54 Cb -0.16 0.67 -0.08 0.00 0.21 0.00 0.00 66.02 66.67 2i9y s SER 54 CO 0.32 -0.16 1.07 -2.84 0.41 0.00 0.00 173.24 172.05 2i9y s PRO 55 N 0.75 3.81 0.41 12.44 0.02 -1.26 -4.79 135.00 146.39 2i9y s PRO 55 Ca 0.27 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.80 2i9y s PRO 55 Cb -0.03 -2.23 0.08 0.00 0.02 0.00 0.00 34.50 32.34 2i9y s PRO 55 CO -0.10 -0.44 0.56 0.41 -0.33 0.00 0.00 177.00 177.10 2i9y n GLY 56 N 0.06 1.01 3.52 0.52 0.00 -0.48 -5.01 105.19 104.80 2i9y n GLY 56 Ca 0.08 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.33 6.28 -1.63 1.61 2.47 -1.26 -3.87 114.94 115.20 2i9y s ASN 57 Ca 0.38 -0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.22 2i9y s ASN 57 Cb -0.02 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2i9y s ASN 57 CO 0.25 -1.47 0.00 -0.38 -3.72 0.00 0.00 177.10 171.78 2i9y n ILE 58 N 6.26 -0.25 -3.87 -5.21 2.08 -1.26 -4.91 119.36 112.21 2i9y n ILE 58 Ca 0.02 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.28 2i9y n ILE 58 Cb 0.48 -1.91 0.02 0.00 -0.75 0.00 0.00 39.64 37.48 2i9y n ILE 58 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i9y s GLN 59 N -3.84 1.64 0.00 0.38 -2.07 -1.25 -5.18 119.66 109.34 2i9y s GLN 59 Ca 0.00 -1.07 0.00 0.00 -1.82 0.00 0.00 55.36 52.47 2i9y s GLN 59 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 2i9y s GLN 59 CO 0.00 -0.77 0.00 0.41 -1.32 0.00 0.00 175.29 173.61 2i9y n GLY 60 N -0.66 0.20 3.18 2.60 0.00 -1.26 -1.38 105.19 107.86 2i9y n GLY 60 Ca -0.05 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2i9y n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9y h ASP 62 N 3.80 -0.01 -3.60 0.00 3.58 -1.99 -3.41 116.42 114.78 2i9y h ASP 62 Ca -0.31 -0.85 -0.63 0.00 0.42 0.00 0.00 57.03 55.66 2i9y h ASP 62 Cb 1.19 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.11 2i9y h ASP 62 CO 0.44 0.87 0.31 -0.76 -2.88 0.00 0.00 179.24 177.22 2i9y s LEU 63 N -8.42 4.26 0.19 2.28 1.02 -1.26 -4.70 118.68 112.06 2i9y s LEU 63 Ca -0.17 -0.04 -0.09 0.00 0.02 0.00 0.00 54.13 53.84 2i9y s LEU 63 Cb -0.02 -2.93 0.11 0.00 0.02 0.00 0.00 46.19 43.38 2i9y s LEU 63 CO 0.64 -0.84 1.74 -0.74 0.02 0.00 0.00 176.35 177.17 2i9y h HIS 64 N 8.84 1.10 -3.47 0.29 2.76 -1.80 -3.44 115.15 119.43 2i9y h HIS 64 Ca -0.25 -0.10 -0.15 0.00 -2.20 0.00 0.00 60.37 57.67 2i9y h HIS 64 Cb 1.09 -0.32 -0.21 0.00 1.55 0.00 0.00 27.41 29.51 2i9y h HIS 64 CO 0.78 0.87 -0.49 -1.21 -1.30 0.00 0.00 177.93 176.58 2i9y s GLU 65 N -5.46 0.45 0.00 5.26 2.02 -1.26 -5.03 118.70 114.68 2i9y s GLU 65 Ca -0.12 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2i9y s GLU 65 Cb 0.14 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2i9y s GLU 65 CO 0.83 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2i9y n GLY 66 N 1.68 0.20 3.71 -1.39 0.00 -1.26 -4.82 105.19 103.32 2i9y n GLY 66 Ca -0.21 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 2i9y n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i9y s ASP 67 N -4.00 7.31 0.09 1.61 1.11 -1.26 -4.74 116.67 116.79 2i9y s ASP 67 Ca 0.00 1.59 0.23 0.00 0.18 0.00 0.00 52.55 54.55 2i9y s ASP 67 Cb 0.00 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 2i9y s ASP 67 CO 0.00 -0.25 0.97 0.79 1.18 0.00 0.00 175.17 177.86 2i9y n TRP 68 N 3.95 0.46 -1.04 4.23 7.02 -1.26 -4.89 117.44 125.91 2i9y n TRP 68 Ca 0.05 0.13 -0.01 0.00 -1.02 0.00 0.00 57.50 56.65 2i9y n TRP 68 Cb 0.51 -0.62 -0.01 0.00 -2.42 0.00 0.00 31.31 28.77 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 1.29 0.48 2.70 6.99 0.00 -1.26 -4.91 105.19 110.47 2i9y n GLY 69 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2i9y n GLY 69 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2i9y n THR 70 N -2.79 0.00 -2.07 2.61 5.66 -1.26 -4.57 114.28 111.86 2i9y n THR 70 Ca -0.01 -1.70 -0.41 0.00 -3.05 0.00 0.00 64.05 58.88 2i9y n THR 70 Cb 0.13 0.94 -0.02 0.00 -1.55 0.00 0.00 70.33 69.82 2i9y n THR 70 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2i9y s VAL 71 N -2.91 2.81 0.00 1.08 1.01 -1.26 -2.11 120.40 119.02 2i9y s VAL 71 Ca 0.28 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2i9y s VAL 71 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2i9y s VAL 71 CO 0.20 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2i9y n GLY 72 N 2.26 0.72 3.76 4.51 0.00 -0.75 -5.01 105.19 110.69 2i9y n GLY 72 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.93 5.96 -0.16 1.61 0.15 -0.90 -4.60 113.70 112.84 2i9y s SER 73 Ca 0.00 2.77 -0.00 0.00 0.70 0.00 0.00 55.95 59.41 2i9y s SER 73 Cb 0.00 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2i9y s SER 73 CO 0.00 -1.10 -0.07 -0.63 1.20 0.00 0.00 173.24 172.64 2i9y s ILE 74 N -1.26 1.18 0.35 6.45 1.01 -1.26 -2.15 121.20 125.52 2i9y s ILE 74 Ca 0.61 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.77 2i9y s ILE 74 Cb -0.40 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 2i9y s ILE 74 CO 0.51 0.22 -0.03 -0.69 0.00 0.00 0.00 174.94 174.95 2i9y s VAL 75 N 1.62 2.43 -0.05 2.92 1.01 -1.26 -4.83 120.40 122.23 2i9y s VAL 75 Ca 0.02 -2.06 0.04 0.00 0.00 0.00 0.00 61.98 59.97 2i9y s VAL 75 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2i9y s VAL 75 CO -0.08 -0.19 -0.16 -0.36 0.00 0.00 0.00 175.10 174.31 2i9y s PHE 76 N -2.57 1.68 -0.17 5.22 0.08 -1.26 -3.46 117.98 117.51 2i9y s PHE 76 Ca 0.34 -0.54 -0.05 0.00 0.12 0.00 0.00 56.93 56.80 2i9y s PHE 76 Cb 0.02 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2i9y s PHE 76 CO 0.18 -0.22 -0.01 -1.58 -0.10 0.00 0.00 175.22 173.50 2i9y s TRP 77 N 0.25 3.08 -0.18 0.36 0.51 -0.83 -4.92 118.94 117.21 2i9y s TRP 77 Ca -0.08 -0.21 -0.08 0.00 -2.12 0.00 0.00 56.10 53.61 2i9y s TRP 77 Cb -0.13 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.49 2i9y s TRP 77 CO 0.03 -0.00 0.08 -0.80 -0.51 0.00 0.00 176.95 175.75 2i9y s ASN 78 N 0.41 5.82 -0.04 2.95 -0.87 -1.26 -0.29 114.94 121.66 2i9y s ASN 78 Ca -0.02 0.15 -0.16 0.00 -1.57 0.00 0.00 52.86 51.26 2i9y s ASN 78 Cb -0.14 -1.99 0.03 0.00 -0.02 0.00 0.00 41.25 39.14 2i9y s ASN 78 CO 0.02 0.20 0.35 -0.72 -2.57 0.00 0.00 177.10 174.38 2i9y s TYR 79 N 0.22 -0.26 -0.27 2.20 1.13 -0.09 -5.00 117.35 115.28 2i9y s TYR 79 Ca 0.06 0.45 -0.08 0.00 -1.41 0.00 0.00 57.07 56.09 2i9y s TYR 79 Cb -0.12 0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.85 2i9y s TYR 79 CO -0.00 -0.38 0.09 0.08 -2.51 0.00 0.00 175.55 172.82 2i9y s VAL 80 N -1.09 4.32 -0.16 -3.49 1.01 -1.26 0.42 120.40 120.15 2i9y s VAL 80 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2i9y s VAL 80 Cb -0.04 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2i9y s VAL 80 CO 0.04 0.26 -0.10 -2.28 0.00 0.00 0.00 175.10 173.02 2i9y s HIS 81 N 1.60 2.06 -1.30 5.22 5.04 -0.11 -4.71 115.29 123.08 2i9y s HIS 81 Ca 0.06 -1.26 -0.01 0.00 -1.54 0.00 0.00 55.06 52.31 2i9y s HIS 81 Cb -0.16 -1.50 0.00 0.00 0.04 0.00 0.00 32.58 30.96 2i9y s HIS 81 CO 0.04 -0.66 0.19 -0.25 -2.34 0.00 0.00 174.74 171.72 2i9y n ASP 82 N 4.79 -4.91 0.00 9.88 9.92 -1.26 -2.75 116.55 132.21 2i9y n ASP 82 Ca -0.14 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 2i9y n ASP 82 Cb 0.48 -3.92 0.00 0.00 -0.64 0.00 0.00 41.12 37.04 2i9y n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2i9y n GLY 83 N -1.15 1.86 3.90 0.44 0.00 -1.26 -5.02 105.19 103.96 2i9y n GLY 83 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.52 3.37 -0.35 1.61 2.02 -1.11 -5.05 118.70 118.67 2i9y s GLU 84 Ca 0.00 -0.49 -0.21 0.00 0.02 0.00 0.00 54.97 54.29 2i9y s GLU 84 Cb 0.00 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2i9y s GLU 84 CO 0.00 0.60 0.69 0.00 0.02 0.00 0.00 175.26 176.56 2i9y s ALA 85 N -1.52 3.46 0.09 5.21 0.00 -1.26 -0.94 121.76 126.80 2i9y s ALA 85 Ca 0.34 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2i9y s ALA 85 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2i9y s ALA 85 CO 0.27 -1.36 0.16 0.15 0.00 0.00 0.00 175.76 174.98 2i9y s LYS 86 N 2.83 3.17 -0.04 0.00 3.01 0.17 -4.95 119.74 123.92 2i9y s LYS 86 Ca 0.27 -0.59 0.05 0.00 -1.01 0.00 0.00 55.97 54.68 2i9y s LYS 86 Cb -0.14 -2.87 -0.01 0.00 -1.01 0.00 0.00 37.83 33.80 2i9y s LYS 86 CO 0.15 0.57 -0.19 0.08 0.51 0.00 0.00 175.35 176.47 2i9y s VAL 87 N -1.51 1.60 -0.15 3.17 1.01 -1.26 -0.91 120.40 122.35 2i9y s VAL 87 Ca 0.32 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2i9y s VAL 87 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2i9y s VAL 87 CO 0.25 0.45 -0.02 0.00 0.00 0.00 0.00 175.10 175.79 2i9y s ALA 88 N -0.07 3.09 -0.15 5.51 0.00 0.60 -4.86 121.76 125.88 2i9y s ALA 88 Ca -0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2i9y s ALA 88 Cb -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2i9y s ALA 88 CO 0.02 0.26 -0.13 0.15 0.00 0.00 0.00 175.76 176.06 2i9y s LYS 89 N 0.19 3.32 0.29 0.00 1.02 -1.26 -1.97 119.74 121.34 2i9y s LYS 89 Ca -0.01 -0.70 0.10 0.00 0.02 0.00 0.00 55.97 55.38 2i9y s LYS 89 Cb -0.13 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.46 2i9y s LYS 89 CO 0.02 0.11 -0.13 -1.83 -0.92 0.00 0.00 175.35 172.60 2i9y s GLU 90 N 0.61 1.67 -0.05 1.68 -1.05 -1.22 -1.92 118.70 118.42 2i9y s GLU 90 Ca -0.07 -1.81 -0.01 0.00 -0.15 0.00 0.00 54.97 52.92 2i9y s GLU 90 Cb -0.16 -1.58 0.03 0.00 -0.44 0.00 0.00 34.13 31.98 2i9y s GLU 90 CO 0.03 0.20 0.03 0.50 0.95 0.00 0.00 175.26 176.97 2i9y s ARG 91 N -3.59 0.24 -0.15 -4.83 6.06 0.29 -4.40 118.95 112.56 2i9y s ARG 91 Ca 0.30 0.22 -0.29 0.00 -2.50 0.00 0.00 55.73 53.45 2i9y s ARG 91 Cb -0.00 -0.66 -0.01 0.00 0.06 0.00 0.00 34.95 34.34 2i9y s ARG 91 CO 0.14 -0.28 1.06 0.42 -2.50 0.00 0.00 175.30 174.15 2i9y s ILE 92 N 1.84 4.64 -0.25 4.11 1.01 -0.91 0.13 121.20 131.77 2i9y s ILE 92 Ca 0.02 1.94 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 2i9y s ILE 92 Cb -0.12 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 37.93 2i9y s ILE 92 CO -0.04 -0.08 -0.21 1.21 0.00 0.00 0.00 174.94 175.83 2i9y n GLU 93 N 5.65 0.65 -3.75 2.79 4.07 0.34 -1.81 120.64 128.58 2i9y n GLU 93 Ca 0.11 0.17 -0.12 0.00 -0.06 0.00 0.00 57.16 57.25 2i9y n GLU 93 Cb 0.47 -1.53 -0.11 0.00 -0.06 0.00 0.00 31.44 30.21 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 -0.78 -0.12 4.31 0.00 -1.20 -4.82 121.76 116.63 2i9y s ALA 94 Ca -0.35 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 2i9y s ALA 94 Cb 0.10 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.66 2i9y s ALA 94 CO 0.60 -0.18 0.28 0.54 0.00 0.00 0.00 175.76 177.00 2i9y s VAL 95 N 0.59 -0.05 -0.29 0.00 0.11 -1.26 0.54 120.40 120.05 2i9y s VAL 95 Ca -0.03 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 2i9y s VAL 95 Cb -0.05 -0.43 0.08 0.00 -1.53 0.00 0.00 36.38 34.45 2i9y s VAL 95 CO -0.04 0.06 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.06 2i9y s GLU 96 N 1.31 1.77 0.43 1.54 2.56 0.12 -4.97 118.70 121.45 2i9y s GLU 96 Ca -0.09 -1.46 0.17 0.00 0.00 0.00 0.00 54.97 53.58 2i9y s GLU 96 Cb -0.10 -2.90 0.98 0.00 2.00 0.00 0.00 34.13 34.11 2i9y s GLU 96 CO -0.09 -0.73 1.93 -1.35 -0.56 0.00 0.00 175.26 174.45 2i9y h PRO 97 N 7.76 0.00 -0.06 4.30 0.11 -1.93 0.38 132.00 142.56 2i9y h PRO 97 Ca -0.13 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.77 2i9y h PRO 97 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2i9y h PRO 97 CO 0.47 0.25 -0.83 0.22 -0.21 0.00 0.00 178.00 177.91 2i9y h ASP 98 N 0.00 0.59 -0.15 -2.05 3.58 -1.93 -3.14 116.42 113.32 2i9y h ASP 98 Ca -0.00 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2i9y h ASP 98 Cb 0.48 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2i9y h ASP 98 CO 0.03 1.19 0.00 0.29 -2.88 0.00 0.00 179.24 177.87 2i9y n LYS 99 N -3.82 2.36 -3.51 0.28 4.76 -1.18 -4.95 118.16 112.10 2i9y n LYS 99 Ca -0.06 -2.04 -0.20 0.00 -2.87 0.00 0.00 58.31 53.14 2i9y n LYS 99 Cb 0.77 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 32.57 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 1.39 -3.85 -4.32 4.39 3.02 -0.69 -4.51 115.26 110.69 2i9y n ASN 100 Ca 0.16 -0.59 -0.32 0.00 -0.03 0.00 0.00 54.58 53.79 2i9y n ASN 100 Cb 0.60 -5.06 -0.16 0.00 -0.61 0.00 0.00 39.78 34.55 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 2.28 -0.16 3.41 2.96 0.04 -0.97 118.68 119.47 2i9y s LEU 101 Ca 0.25 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2i9y s LEU 101 Cb -0.11 -1.44 0.06 0.00 0.50 0.00 0.00 46.19 45.20 2i9y s LEU 101 CO 0.73 0.25 0.37 -0.51 -1.32 0.00 0.00 176.35 175.87 2i9y s ILE 102 N -0.15 -0.15 -0.28 6.68 2.07 0.32 0.11 121.20 129.79 2i9y s ILE 102 Ca -0.03 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.22 2i9y s ILE 102 Cb -0.14 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 2i9y s ILE 102 CO 0.04 0.05 0.23 -0.89 -1.91 0.00 0.00 174.94 172.46 2i9y s THR 103 N 1.64 5.28 -0.16 4.00 2.01 0.19 -0.45 115.64 128.15 2i9y s THR 103 Ca -0.07 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 2i9y s THR 103 Cb -0.10 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2i9y s THR 103 CO -0.12 0.22 0.07 -0.36 -0.69 0.00 0.00 174.62 173.74 2i9y s PHE 104 N 1.82 3.31 -0.25 4.92 0.08 0.15 -0.50 117.98 127.50 2i9y s PHE 104 Ca 0.08 0.19 -0.06 0.00 0.12 0.00 0.00 56.93 57.26 2i9y s PHE 104 Cb -0.16 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2i9y s PHE 104 CO 0.11 0.32 0.03 0.50 -0.10 0.00 0.00 175.22 176.08 2i9y s ARG 105 N -0.08 3.38 -0.13 0.44 3.52 0.12 -1.20 118.95 124.99 2i9y s ARG 105 Ca 0.07 -0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 2i9y s ARG 105 Cb -0.12 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 2i9y s ARG 105 CO 0.01 -0.27 1.00 0.08 -0.81 0.00 0.00 175.30 175.31 2i9y s VAL 106 N 1.53 4.77 -0.27 7.11 1.01 -1.02 -0.55 120.40 132.99 2i9y s VAL 106 Ca 0.05 2.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.97 2i9y s VAL 106 Cb -0.15 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 2i9y s VAL 106 CO 0.01 -0.03 -0.28 2.30 0.00 0.00 0.00 175.10 177.10 2i9y n ILE 107 N 4.70 1.51 0.00 2.22 -5.35 -0.81 -4.66 119.36 116.97 2i9y n ILE 107 Ca 0.09 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2i9y n ILE 107 Cb 0.48 -1.66 0.00 0.00 -1.74 0.00 0.00 39.64 36.72 2i9y n ILE 107 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2i9y n GLU 108 N -3.77 0.00 -1.94 6.28 4.07 -1.20 -5.04 120.64 119.04 2i9y n GLU 108 Ca -0.50 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 2i9y n GLU 108 Cb 0.94 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 31.22 2i9y n GLU 108 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i9y n GLY 109 N 0.91 -4.98 0.19 8.31 0.00 -1.26 -4.59 105.19 103.77 2i9y n GLY 109 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.93 2i9y n GLY 109 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2i9y h ASP 110 N 3.04 0.00 0.24 1.61 3.58 -1.97 -2.40 116.42 120.52 2i9y h ASP 110 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2i9y h ASP 110 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2i9y h ASP 110 CO 0.00 0.36 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.43 2i9y h LEU 111 N 0.00 0.00 -0.10 2.28 -0.00 -1.91 -2.83 115.31 112.76 2i9y h LEU 111 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2i9y h LEU 111 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2i9y h LEU 111 CO 0.05 0.22 0.00 0.23 -0.00 0.00 0.00 178.44 178.94 2i9y n MET 112 N -4.22 0.01 0.13 1.13 2.81 -0.90 0.28 117.12 116.37 2i9y n MET 112 Ca -0.02 0.42 0.11 0.00 -1.81 0.00 0.00 57.70 56.40 2i9y n MET 112 Cb 0.28 -1.54 0.04 0.00 -0.71 0.00 0.00 33.22 31.30 2i9y n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2i9y h LYS 113 N 0.00 0.00 0.00 0.03 1.79 -1.67 -3.37 116.57 113.35 2i9y h LYS 113 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2i9y h LYS 113 Cb 0.09 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 2i9y h LYS 113 CO 0.00 0.01 -1.76 0.39 -1.08 0.00 0.00 179.45 177.00 2i9y n GLU 114 N -2.79 1.54 -5.17 3.15 4.71 -0.20 -4.98 120.64 116.90 2i9y n GLU 114 Ca 0.01 0.03 -0.30 0.00 -0.01 0.00 0.00 57.16 56.89 2i9y n GLU 114 Cb 0.55 -1.28 -0.16 0.00 -1.01 0.00 0.00 31.44 29.54 2i9y n GLU 114 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2i9y s TYR 115 N -2.27 2.23 -2.02 -0.32 2.02 0.14 -3.28 117.35 113.85 2i9y s TYR 115 Ca -0.10 -0.61 0.31 0.00 -0.37 0.00 0.00 57.07 56.30 2i9y s TYR 115 Cb 0.04 -1.46 1.81 0.00 -0.40 0.00 0.00 41.96 41.95 2i9y s TYR 115 CO 0.40 -0.17 2.17 0.36 -1.57 0.00 0.00 175.55 176.74 2i9y n LYS 116 N 2.88 1.03 -3.63 -0.62 2.85 -0.57 -3.59 118.16 116.51 2i9y n LYS 116 Ca -0.17 -0.05 -0.05 0.00 -1.05 0.00 0.00 58.31 56.99 2i9y n LYS 116 Cb 0.52 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 2i9y n LYS 116 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2i9y s SER 117 N -1.97 -0.16 -0.17 -5.58 0.15 -1.26 -4.96 113.70 99.74 2i9y s SER 117 Ca 0.46 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.32 2i9y s SER 117 Cb 0.21 0.23 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 2i9y s SER 117 CO 0.36 -0.10 0.16 0.12 1.20 0.00 0.00 173.24 174.97 2i9y s PHE 118 N -0.51 -0.07 -0.12 3.44 5.36 -1.26 -2.05 117.98 122.76 2i9y s PHE 118 Ca 0.06 0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 2i9y s PHE 118 Cb -0.03 -0.48 -0.00 0.00 -0.34 0.00 0.00 43.02 42.17 2i9y s PHE 118 CO -0.08 -0.51 -0.19 -1.17 -1.46 0.00 0.00 175.22 171.81 2i9y s LEU 119 N 2.25 2.37 -0.04 6.12 2.96 0.74 -2.42 118.68 130.66 2i9y s LEU 119 Ca 0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2i9y s LEU 119 Cb -0.15 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.04 2i9y s LEU 119 CO -0.10 0.14 -0.06 -1.48 -1.32 0.00 0.00 176.35 173.53 2i9y s LEU 120 N 0.47 1.55 -0.15 -0.68 2.34 -0.34 -0.24 118.68 121.63 2i9y s LEU 120 Ca -0.13 -0.15 0.00 0.00 0.06 0.00 0.00 54.13 53.91 2i9y s LEU 120 Cb -0.17 -0.48 -0.00 0.00 -0.56 0.00 0.00 46.19 44.98 2i9y s LEU 120 CO 0.05 -0.00 -0.15 -0.89 -1.06 0.00 0.00 176.35 174.31 2i9y s THR 121 N 0.58 2.73 0.11 5.48 2.01 0.37 0.34 115.64 127.25 2i9y s THR 121 Ca -0.08 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.26 2i9y s THR 121 Cb -0.12 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2i9y s THR 121 CO 0.01 0.51 -0.20 0.27 -0.69 0.00 0.00 174.62 174.51 2i9y s ILE 122 N 0.77 2.67 -0.08 1.82 -4.36 0.40 -0.31 121.20 122.12 2i9y s ILE 122 Ca -0.06 -1.51 -0.03 0.00 -0.26 0.00 0.00 60.65 58.79 2i9y s ILE 122 Cb -0.15 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.40 2i9y s ILE 122 CO 0.01 0.14 0.17 -1.58 0.24 0.00 0.00 174.94 173.91 2i9y s GLN 123 N -1.99 0.09 -0.40 0.37 0.74 -0.54 -0.52 119.66 117.42 2i9y s GLN 123 Ca 0.16 0.45 -0.18 0.00 0.05 0.00 0.00 55.36 55.85 2i9y s GLN 123 Cb -0.10 -0.19 0.01 0.00 1.10 0.00 0.00 33.01 33.83 2i9y s GLN 123 CO 0.08 -0.21 0.48 0.08 -0.55 0.00 0.00 175.29 175.18 2i9y s VAL 124 N 1.51 5.03 -0.05 1.34 1.01 -0.15 0.05 120.40 129.16 2i9y s VAL 124 Ca -0.06 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2i9y s VAL 124 Cb -0.12 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 2i9y s VAL 124 CO -0.06 -0.37 -0.19 -0.89 0.00 0.00 0.00 175.10 173.59 2i9y s THR 125 N 2.30 1.55 0.72 3.92 2.01 0.87 -4.68 115.64 122.33 2i9y s THR 125 Ca 0.15 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 2i9y s THR 125 Cb -0.16 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.05 2i9y s THR 125 CO 0.14 0.44 1.19 -2.16 -0.69 0.00 0.00 174.62 173.55 2i9y s PRO 126 N 0.04 2.25 0.36 4.92 0.04 -1.26 -0.61 135.00 140.73 2i9y s PRO 126 Ca -0.05 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2i9y s PRO 126 Cb -0.12 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2i9y s PRO 126 CO 0.03 -1.73 0.00 1.17 0.04 0.00 0.00 177.00 176.50 2i9y n LYS 127 N -2.66 0.00 -0.16 4.56 4.81 -1.26 -4.80 118.16 118.64 2i9y n LYS 127 Ca 0.13 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.66 2i9y n LYS 127 Cb 0.51 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.83 2i9y n LYS 127 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2i9y n PRO 128 N -3.47 1.97 -1.57 1.64 -0.04 -1.26 -5.00 135.00 127.27 2i9y n PRO 128 Ca 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2i9y n PRO 128 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2i9y n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9y n GLY 129 N 1.21 0.17 0.00 0.55 0.00 -1.26 -5.03 105.19 100.83 2i9y n GLY 129 Ca 0.16 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 0.22 3.66 -0.02 0.00 -1.26 -4.61 105.19 103.19 2i9y n GLY 130 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2i9y n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i9y n PRO 131 N -1.21 2.02 -1.25 1.61 -0.04 -1.26 -3.63 135.00 131.24 2i9y n PRO 131 Ca 0.00 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2i9y n PRO 131 Cb 0.00 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 2i9y n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9y n GLY 132 N 3.38 -0.22 4.01 0.55 0.00 -0.96 -4.94 105.19 107.01 2i9y n GLY 132 Ca 0.18 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2i9y n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9y s SER 133 N -1.65 5.30 -0.10 1.61 0.01 -0.96 -4.54 113.70 113.37 2i9y s SER 133 Ca 0.00 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2i9y s SER 133 Cb 0.00 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 2i9y s SER 133 CO 0.00 -1.11 -0.04 -0.63 0.41 0.00 0.00 173.24 171.88 2i9y s ILE 134 N -2.58 3.97 -0.31 1.44 -1.09 0.22 -0.62 121.20 122.23 2i9y s ILE 134 Ca 0.59 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.54 2i9y s ILE 134 Cb -0.08 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 2i9y s ILE 134 CO 0.37 0.57 0.17 -0.69 -1.23 0.00 0.00 174.94 174.13 2i9y s VAL 135 N -0.53 4.83 -0.43 2.92 1.01 0.17 -0.09 120.40 128.28 2i9y s VAL 135 Ca 0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 2i9y s VAL 135 Cb -0.12 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2i9y s VAL 135 CO 0.02 0.10 0.72 -1.00 0.00 0.00 0.00 175.10 174.94 2i9y s HIS 136 N 1.66 3.05 -0.24 5.22 3.76 0.11 -1.02 115.29 127.83 2i9y s HIS 136 Ca 0.05 0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 54.98 2i9y s HIS 136 Cb -0.17 -3.47 -0.05 0.00 1.11 0.00 0.00 32.58 30.01 2i9y s HIS 136 CO 0.08 -0.88 0.24 -1.58 -0.85 0.00 0.00 174.74 171.74 2i9y s TRP 137 N 3.04 3.31 -0.25 1.40 0.52 0.84 -1.46 118.94 126.34 2i9y s TRP 137 Ca 0.27 0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.72 2i9y s TRP 137 Cb -0.13 -2.37 0.05 0.00 -1.15 0.00 0.00 33.47 29.86 2i9y s TRP 137 CO 0.20 -0.01 -0.10 -1.01 0.02 0.00 0.00 176.95 176.05 2i9y s HIS 138 N 1.31 3.17 -0.21 -1.98 3.76 0.58 -1.47 115.29 120.45 2i9y s HIS 138 Ca 0.11 -2.06 -0.06 0.00 -0.15 0.00 0.00 55.06 52.90 2i9y s HIS 138 Cb -0.14 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 2i9y s HIS 138 CO 0.07 -0.84 0.02 -0.51 -0.85 0.00 0.00 174.74 172.62 2i9y s LEU 139 N 1.18 3.31 -0.07 0.89 1.02 0.99 -0.48 118.68 125.51 2i9y s LEU 139 Ca -0.05 -0.19 0.02 0.00 0.02 0.00 0.00 54.13 53.92 2i9y s LEU 139 Cb -0.19 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.19 2i9y s LEU 139 CO -0.05 0.05 -0.11 -1.61 0.02 0.00 0.00 176.35 174.65 2i9y s GLU 140 N 1.11 1.61 0.10 1.70 2.02 0.67 -0.07 118.70 125.83 2i9y s GLU 140 Ca 0.03 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 2i9y s GLU 140 Cb -0.14 -1.41 0.02 0.00 0.10 0.00 0.00 34.13 32.69 2i9y s GLU 140 CO 0.02 -0.05 0.33 1.52 0.02 0.00 0.00 175.26 177.10 2i9y s TYR 141 N 0.91 -0.09 -0.16 1.61 1.13 0.15 -0.19 117.35 120.71 2i9y s TYR 141 Ca -0.10 -0.22 -0.03 0.00 -1.41 0.00 0.00 57.07 55.31 2i9y s TYR 141 Cb -0.15 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.83 2i9y s TYR 141 CO 0.01 -0.62 -0.06 -2.00 -2.51 0.00 0.00 175.55 170.37 2i9y s GLU 142 N -3.58 3.58 0.11 -3.49 2.56 -0.87 -0.03 118.70 116.98 2i9y s GLU 142 Ca 0.02 -0.57 -0.30 0.00 0.00 0.00 0.00 54.97 54.12 2i9y s GLU 142 Cb 0.02 -2.87 -0.06 0.00 2.00 0.00 0.00 34.13 33.22 2i9y s GLU 142 CO -0.10 0.18 1.10 0.15 -0.56 0.00 0.00 175.26 176.03 2i9y s LYS 143 N 0.49 4.55 0.03 4.30 3.01 -0.30 -1.51 119.74 130.32 2i9y s LYS 143 Ca -0.05 1.66 -0.18 0.00 -1.01 0.00 0.00 55.97 56.40 2i9y s LYS 143 Cb -0.15 -3.33 -0.23 0.00 -1.01 0.00 0.00 37.83 33.11 2i9y s LYS 143 CO 0.03 -0.02 1.13 0.82 0.51 0.00 0.00 175.35 177.82 2i9y h ILE 144 N 4.13 1.38 -3.27 2.17 2.04 -1.88 -3.44 117.51 118.63 2i9y h ILE 144 Ca -0.43 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.30 2i9y h ILE 144 Cb 1.21 2.51 -0.09 0.00 -0.74 0.00 0.00 36.82 39.71 2i9y h ILE 144 CO 0.75 0.63 0.06 -0.55 0.00 0.00 0.00 178.15 179.04 2i9y s SER 145 N -6.93 -0.26 0.00 1.72 0.15 -1.26 -5.07 113.70 102.05 2i9y s SER 145 Ca -0.12 -0.52 -0.24 0.00 0.70 0.00 0.00 55.95 55.77 2i9y s SER 145 Cb 0.05 0.60 -0.14 0.00 -1.71 0.00 0.00 66.02 64.82 2i9y s SER 145 CO 0.86 -1.10 1.02 -0.33 1.20 0.00 0.00 173.24 174.89 2i9y h GLU 146 N 2.16 -0.82 0.00 5.44 5.08 -1.94 -3.01 114.58 121.49 2i9y h GLU 146 Ca -0.27 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2i9y h GLU 146 Cb 1.26 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2i9y h GLU 146 CO 0.35 -0.53 -0.02 1.05 -1.00 0.00 0.00 179.01 178.85 2i9y h GLU 147 N -1.21 0.00 0.05 2.33 4.11 -2.00 -2.48 114.58 115.38 2i9y h GLU 147 Ca -0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.11 2i9y h GLU 147 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2i9y h GLU 147 CO 0.14 0.02 -1.08 0.28 0.07 0.00 0.00 179.01 178.44 2i9y h VAL 148 N 0.00 1.62 -3.60 -1.06 2.07 -1.91 -3.44 116.25 109.92 2i9y h VAL 148 Ca -0.00 -3.24 -0.51 0.00 0.82 0.00 0.00 66.70 63.77 2i9y h VAL 148 Cb 0.31 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 2i9y h VAL 148 CO 0.00 0.93 0.36 0.00 0.02 0.00 0.00 177.57 178.89 2i9y s ALA 149 N -2.72 3.27 -0.37 1.67 0.00 -0.93 -4.82 121.76 117.85 2i9y s ALA 149 Ca -0.01 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2i9y s ALA 149 Cb 0.09 -3.27 0.14 0.00 0.00 0.00 0.00 23.12 20.08 2i9y s ALA 149 CO 0.84 0.01 0.22 -1.01 0.00 0.00 0.00 175.76 175.82 2i9y s HIS 150 N -0.24 1.00 0.63 0.00 3.76 -1.26 -4.99 115.29 114.19 2i9y s HIS 150 Ca 0.46 -1.81 0.20 0.00 -0.15 0.00 0.00 55.06 53.76 2i9y s HIS 150 Cb -0.24 -1.13 0.89 0.00 1.11 0.00 0.00 32.58 33.20 2i9y s HIS 150 CO 0.31 -0.82 1.44 -1.35 -0.85 0.00 0.00 174.74 173.47 2i9y h PRO 151 N 6.94 0.00 -0.66 8.40 0.11 -1.98 -0.80 132.00 144.01 2i9y h PRO 151 Ca 0.04 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.21 2i9y h PRO 151 Cb 0.96 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 2i9y h PRO 151 CO 0.31 0.00 0.37 0.93 -0.21 0.00 0.00 178.00 179.40 2i9y h GLU 152 N 0.00 0.66 -0.28 1.05 4.39 -2.00 -2.68 114.58 115.72 2i9y h GLU 152 Ca 0.20 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.87 2i9y h GLU 152 Cb 1.88 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 2i9y h GLU 152 CO -0.00 0.44 0.19 1.79 -1.16 0.00 0.00 179.01 180.26 2i9y h THR 153 N 0.68 1.03 -0.10 1.13 1.35 -1.57 -0.78 112.91 114.65 2i9y h THR 153 Ca 0.29 -0.11 -0.19 0.00 -0.55 0.00 0.00 66.41 65.85 2i9y h THR 153 Cb 0.18 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.29 2i9y h THR 153 CO -0.18 0.06 -0.74 -0.07 -0.25 0.00 0.00 175.52 174.34 2i9y h LEU 154 N 0.31 0.61 -0.88 3.87 -0.00 -1.66 -0.44 115.31 117.13 2i9y h LEU 154 Ca 0.11 -0.40 -0.10 0.00 -0.00 0.00 0.00 57.88 57.49 2i9y h LEU 154 Cb 0.06 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 2i9y h LEU 154 CO -0.02 1.15 -0.49 -0.07 -0.00 0.00 0.00 178.44 179.01 2i9y h LEU 155 N 0.35 0.00 -0.18 1.67 3.38 -1.21 0.89 115.31 120.21 2i9y h LEU 155 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2i9y h LEU 155 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2i9y h LEU 155 CO 0.13 0.49 -0.39 1.56 0.09 0.00 0.00 178.44 180.32 2i9y h GLN 156 N 0.00 0.57 -0.80 1.13 4.20 -0.98 -0.78 115.11 118.45 2i9y h GLN 156 Ca -0.00 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.34 2i9y h GLN 156 Cb 0.97 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 2i9y h GLN 156 CO 0.06 1.00 0.52 0.35 -0.67 0.00 0.00 178.83 180.09 2i9y h PHE 157 N 0.23 0.99 0.08 2.96 3.57 -0.77 -1.95 116.94 122.06 2i9y h PHE 157 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2i9y h PHE 157 Cb 1.00 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2i9y h PHE 157 CO 0.09 0.60 -0.09 0.00 -2.23 0.00 0.00 178.31 176.69 2i9y h VAL 159 N -0.20 1.26 -0.33 0.00 3.04 -0.87 0.17 116.25 119.32 2i9y h VAL 159 Ca 0.01 -1.17 -0.12 0.00 -1.01 0.00 0.00 66.70 64.41 2i9y h VAL 159 Cb 0.19 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 2i9y h VAL 159 CO -0.03 0.41 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.34 2i9y h GLU 160 N 0.84 0.67 -0.05 4.17 4.39 -1.30 -2.13 114.58 121.18 2i9y h GLU 160 Ca 0.14 -0.29 -0.25 0.00 0.34 0.00 0.00 59.36 59.31 2i9y h GLU 160 Cb 0.58 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2i9y h GLU 160 CO 0.04 0.88 -0.94 0.28 -1.16 0.00 0.00 179.01 178.10 2i9y h VAL 161 N 0.58 1.29 -0.63 3.13 2.07 -1.01 -2.89 116.25 118.79 2i9y h VAL 161 Ca 0.07 -2.17 0.07 0.00 0.82 0.00 0.00 66.70 65.50 2i9y h VAL 161 Cb 0.77 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 2i9y h VAL 161 CO 0.06 0.67 0.31 0.28 0.02 0.00 0.00 177.57 178.92 2i9y h SER 162 N 0.43 0.42 0.00 0.57 0.02 -0.46 0.38 113.55 114.91 2i9y h SER 162 Ca -0.10 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 2i9y h SER 162 Cb 1.59 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 2i9y h SER 162 CO 0.19 0.26 -0.48 0.07 -1.14 0.00 0.00 176.83 175.73 2i9y h LYS 163 N 0.56 0.55 0.11 3.45 2.10 -1.46 -1.86 116.57 120.03 2i9y h LYS 163 Ca 0.30 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2i9y h LYS 163 Cb 0.26 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2i9y h LYS 163 CO -0.23 0.91 -0.05 1.49 -2.00 0.00 0.00 179.45 179.57 2i9y h GLU 164 N 0.44 -0.14 -0.37 0.07 4.57 -1.12 -2.90 114.58 115.14 2i9y h GLU 164 Ca 0.02 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 2i9y h GLU 164 Cb 1.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 2i9y h GLU 164 CO 0.09 0.14 -0.37 0.97 -1.18 0.00 0.00 179.01 178.66 2i9y h ILE 165 N -0.42 1.28 0.18 2.32 -0.00 -0.98 -2.17 117.51 117.71 2i9y h ILE 165 Ca -0.01 -1.54 0.00 0.00 -0.00 0.00 0.00 64.86 63.30 2i9y h ILE 165 Cb 0.35 1.42 -0.01 0.00 -0.00 0.00 0.00 36.82 38.58 2i9y h ILE 165 CO 0.02 0.51 -0.15 -0.78 -0.00 0.00 0.00 178.15 177.76 2i9y h ASP 166 N 0.71 -0.38 0.69 2.19 3.58 -1.36 -2.39 116.42 119.45 2i9y h ASP 166 Ca 0.06 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 2i9y h ASP 166 Cb 0.96 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2i9y h ASP 166 CO 0.09 -0.23 -0.66 1.05 -2.88 0.00 0.00 179.24 176.61 2i9y h GLU 167 N -0.34 0.00 -0.90 0.28 4.11 -1.57 -2.84 114.58 113.32 2i9y h GLU 167 Ca -0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.57 2i9y h GLU 167 Cb 0.31 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2i9y h GLU 167 CO -0.02 0.66 0.58 1.25 0.07 0.00 0.00 179.01 181.55 2i9y h HIS 168 N 0.00 0.84 -0.00 2.06 2.76 -0.97 0.40 115.15 120.24 2i9y h HIS 168 Ca -0.01 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.02 2i9y h HIS 168 Cb 1.18 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 2i9y h HIS 168 CO 0.00 0.31 -0.77 -0.07 -1.30 0.00 0.00 177.93 176.10 2i9y h LEU 169 N 0.71 0.05 0.00 0.26 3.38 -1.20 -3.13 115.31 115.37 2i9y h LEU 169 Ca 0.45 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 2i9y h LEU 169 Cb 0.72 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2i9y h LEU 169 CO -0.21 0.80 -0.84 -0.07 0.09 0.00 0.00 178.44 178.21 2i9y h LEU 170 N 0.02 0.00 -1.65 1.67 3.38 -1.17 -3.27 115.31 114.28 2i9y h LEU 170 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2i9y h LEU 170 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2i9y h LEU 170 CO 0.10 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2i9y h ALA 171 N 1.42 1.00 -2.11 1.53 0.00 -0.20 -3.43 119.26 117.47 2i9y h ALA 171 Ca -0.05 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 2i9y h ALA 171 Cb 1.49 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.14 2i9y h ALA 171 CO 0.07 0.00 -0.72 -1.83 0.00 0.00 0.00 179.25 176.77 2i9y s GLU 172 N -3.71 1.65 0.00 0.00 -1.05 -1.23 -5.08 118.70 109.28 2i9y s GLU 172 Ca 0.00 -1.79 0.25 0.00 -0.15 0.00 0.00 54.97 53.28 2i9y s GLU 172 Cb 0.10 -1.57 0.42 0.00 -0.44 0.00 0.00 34.13 32.64 2i9y s GLU 172 CO 0.48 0.21 1.39 0.39 0.95 0.00 0.00 175.26 178.69