#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5i s MET 1 N 0.00 1.83 0.20 4.33 -2.45 -1.26 -5.04 119.30 116.90 1r5i s MET 1 Ca 0.00 -0.80 -0.30 0.00 -1.25 0.00 0.00 55.69 53.35 1r5i s MET 1 Cb 0.00 -1.76 -0.08 0.00 1.25 0.00 0.00 34.83 34.24 1r5i s MET 1 CO 0.00 0.47 1.14 0.15 1.05 0.00 0.00 175.02 177.84 1r5i s LYS 2 N -0.50 4.56 0.20 4.11 -0.14 -1.26 -5.04 119.74 121.66 1r5i s LYS 2 Ca 0.08 1.80 0.07 0.00 -1.36 0.00 0.00 55.97 56.56 1r5i s LYS 2 Cb -0.09 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 1r5i s LYS 2 CO -0.01 0.03 0.08 -0.51 -0.76 0.00 0.00 175.35 174.18 1r5i s LEU 3 N -0.52 3.54 0.38 3.17 1.43 -1.26 -5.00 118.68 120.42 1r5i s LEU 3 Ca 0.50 -0.32 0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1r5i s LEU 3 Cb -0.31 -2.14 0.77 0.00 0.03 0.00 0.00 46.19 44.53 1r5i s LEU 3 CO 0.37 0.05 1.82 0.03 0.23 0.00 0.00 176.35 178.85 1r5i h ARG 4 N 2.29 0.00 -3.73 1.70 3.08 -1.95 -3.37 114.38 112.40 1r5i h ARG 4 Ca -0.47 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 58.99 1r5i h ARG 4 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.87 1r5i h ARG 4 CO 0.60 0.37 -0.75 0.08 -1.07 0.00 0.00 179.97 179.20 1r5i s VAL 5 N -4.02 1.06 0.25 2.04 1.01 -1.26 -5.00 120.40 114.47 1r5i s VAL 5 Ca -0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 1r5i s VAL 5 Cb 0.13 -1.77 0.34 0.00 0.00 0.00 0.00 36.38 35.09 1r5i s VAL 5 CO 0.70 -0.62 1.59 1.05 0.00 0.00 0.00 175.10 177.82 1r5i h GLU 6 N 8.03 -0.01 -2.89 2.72 9.09 -1.99 -3.15 114.58 126.37 1r5i h GLU 6 Ca -0.13 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.67 1r5i h GLU 6 Cb 1.02 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 27.71 1r5i h GLU 6 CO 0.47 -0.01 -0.61 0.09 0.05 0.00 0.00 179.01 179.00 1r5i n ASN 7 N -5.54 2.87 -4.59 3.06 3.02 -1.26 -4.96 115.26 107.86 1r5i n ASN 7 Ca 0.12 -3.19 -0.41 0.00 -0.03 0.00 0.00 54.58 51.07 1r5i n ASN 7 Cb 0.42 -0.73 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1r5i n ASN 7 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1r5i n PRO 8 N 1.84 1.20 -3.56 3.52 -0.02 -1.19 -5.01 135.00 131.78 1r5i n PRO 8 Ca 0.22 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1r5i n PRO 8 Cb 0.37 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 1r5i n PRO 8 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r5i s LYS 9 N -2.04 3.81 0.07 -0.52 1.02 -1.26 -4.96 119.74 115.85 1r5i s LYS 9 Ca 0.65 0.26 -0.37 0.00 0.02 0.00 0.00 55.97 56.52 1r5i s LYS 9 Cb -0.55 -3.09 -0.18 0.00 -0.52 0.00 0.00 37.83 33.49 1r5i s LYS 9 CO 0.56 0.62 1.14 1.17 -0.92 0.00 0.00 175.35 177.92 1r5i n LYS 10 N 1.31 0.56 -4.39 1.68 3.00 -1.26 -4.73 118.16 114.34 1r5i n LYS 10 Ca -0.11 0.20 -0.24 0.00 -0.00 0.00 0.00 58.31 58.17 1r5i n LYS 10 Cb 0.52 -1.72 -0.09 0.00 0.00 0.00 0.00 35.03 33.74 1r5i n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r5i s ALA 11 N 0.09 2.98 0.02 3.14 0.00 -1.26 -5.03 121.76 121.69 1r5i s ALA 11 Ca 0.85 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1r5i s ALA 11 Cb -1.08 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1r5i s ALA 11 CO 0.53 0.23 -0.00 1.14 0.00 0.00 0.00 175.76 177.65 1r5i s GLN 12 N -3.61 0.30 0.06 0.00 -2.07 -1.26 -5.05 119.66 108.04 1r5i s GLN 12 Ca 0.31 -0.52 -0.05 0.00 -1.82 0.00 0.00 55.36 53.28 1r5i s GLN 12 Cb -0.04 0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.94 1r5i s GLN 12 CO 0.17 -0.05 0.29 -1.59 -1.32 0.00 0.00 175.29 172.79 1r5i s LYS 13 N -1.31 3.56 -0.09 9.60 -2.85 -1.26 -4.97 119.74 122.42 1r5i s LYS 13 Ca -0.14 -0.15 0.17 0.00 -1.00 0.00 0.00 55.97 54.85 1r5i s LYS 13 Cb -0.09 -3.01 0.63 0.00 -2.06 0.00 0.00 37.83 33.31 1r5i s LYS 13 CO -0.01 0.59 1.54 0.72 0.10 0.00 0.00 175.35 178.29 1r5i n HIS 14 N 0.66 1.22 -3.93 1.78 8.25 -1.26 -4.96 115.22 116.99 1r5i n HIS 14 Ca -0.07 -0.62 -0.28 0.00 -0.26 0.00 0.00 57.72 56.49 1r5i n HIS 14 Cb 0.52 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 1r5i n HIS 14 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1r5i n PHE 15 N 0.88 -1.66 -0.94 4.41 3.01 -1.26 -4.88 117.46 117.03 1r5i n PHE 15 Ca 0.23 0.64 0.08 0.00 1.01 0.00 0.00 57.45 59.41 1r5i n PHE 15 Cb 0.80 -3.57 0.24 0.00 -0.01 0.00 0.00 39.48 36.94 1r5i n PHE 15 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1r5i n VAL 16 N -4.41 2.15 0.30 -4.37 3.14 -1.26 -4.68 118.33 109.19 1r5i n VAL 16 Ca -0.26 -1.85 0.16 0.00 -2.96 0.00 0.00 64.34 59.43 1r5i n VAL 16 Cb 0.66 -0.19 0.57 0.00 -1.06 0.00 0.00 33.84 33.82 1r5i n VAL 16 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1r5i h GLN 17 N 1.61 0.00 -0.49 1.45 -0.00 -1.90 -3.23 115.11 112.56 1r5i h GLN 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1r5i h GLN 17 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.82 1r5i h GLN 17 CO 0.18 0.00 0.00 0.27 -0.00 0.00 0.00 178.83 179.28 1r5i n ASN 18 N -2.94 2.60 -4.76 0.06 2.04 -1.26 -4.84 115.26 106.16 1r5i n ASN 18 Ca 0.01 -2.02 -0.39 0.00 -0.44 0.00 0.00 54.58 51.74 1r5i n ASN 18 Cb 0.33 -0.33 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 1r5i n ASN 18 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1r5i s LEU 19 N -1.03 4.51 -0.03 -4.53 1.43 -1.22 -4.98 118.68 112.84 1r5i s LEU 19 Ca 0.32 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.54 1r5i s LEU 19 Cb 0.17 -3.74 0.10 0.00 0.03 0.00 0.00 46.19 42.76 1r5i s LEU 19 CO 0.21 -0.07 1.07 0.59 0.23 0.00 0.00 176.35 178.38 1r5i n ASN 20 N 1.06 2.24 -2.72 2.29 3.02 -1.26 -4.78 115.26 115.11 1r5i n ASN 20 Ca -0.00 -2.21 -0.05 0.00 -0.03 0.00 0.00 54.58 52.29 1r5i n ASN 20 Cb 0.47 -0.12 0.07 0.00 -0.61 0.00 0.00 39.78 39.59 1r5i n ASN 20 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r5i n ASN 21 N -0.52 0.29 0.08 6.41 3.02 -1.26 -4.92 115.26 118.37 1r5i n ASN 21 Ca 0.05 -2.38 -0.09 0.00 -0.03 0.00 0.00 54.58 52.13 1r5i n ASN 21 Cb 0.36 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1r5i n ASN 21 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1r5i h VAL 22 N 3.70 1.47 -3.03 2.41 -1.51 -1.96 -3.45 116.25 113.88 1r5i h VAL 22 Ca -0.21 -2.53 -0.55 0.00 -1.23 0.00 0.00 66.70 62.18 1r5i h VAL 22 Cb 1.25 2.41 -0.02 0.00 -2.13 0.00 0.00 31.29 32.80 1r5i h VAL 22 CO 0.18 0.74 0.75 0.54 -1.23 0.00 0.00 177.57 178.55 1r5i s VAL 23 N -3.27 4.19 0.30 7.19 0.11 -1.26 -4.83 120.40 122.82 1r5i s VAL 23 Ca -0.03 1.51 -0.29 0.00 -2.93 0.00 0.00 61.98 60.23 1r5i s VAL 23 Cb 0.10 -3.97 -0.10 0.00 -1.53 0.00 0.00 36.38 30.88 1r5i s VAL 23 CO 0.83 -0.02 1.24 -0.36 -3.33 0.00 0.00 175.10 173.46 1r5i s PHE 24 N 2.45 3.24 0.78 1.54 0.40 -1.26 -5.03 117.98 120.10 1r5i s PHE 24 Ca 0.57 1.47 -0.12 0.00 -0.60 0.00 0.00 56.93 58.25 1r5i s PHE 24 Cb -0.25 -3.55 0.06 0.00 0.51 0.00 0.00 43.02 39.79 1r5i s PHE 24 CO 0.21 -1.47 1.12 0.95 0.70 0.00 0.00 175.22 176.74 1r5i s THR 25 N -0.95 2.87 0.27 0.64 -4.23 -1.26 -4.85 115.64 108.13 1r5i s THR 25 Ca 0.49 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1r5i s THR 25 Cb -0.37 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 70.56 1r5i s THR 25 CO 0.47 -0.37 1.90 0.78 -0.54 0.00 0.00 174.62 176.86 1r5i h ASN 26 N -0.96 1.02 -0.09 3.99 2.35 -1.99 -1.27 115.58 118.64 1r5i h ASN 26 Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1r5i h ASN 26 Cb 1.28 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 1r5i h ASN 26 CO 0.63 0.67 0.01 0.50 -1.65 0.00 0.00 177.43 177.59 1r5i h LYS 27 N 1.17 0.15 -0.76 0.81 3.64 -1.98 0.40 116.57 120.00 1r5i h LYS 27 Ca 0.41 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.87 1r5i h LYS 27 Cb 0.11 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 1r5i h LYS 27 CO -0.15 0.39 0.34 0.93 -2.27 0.00 0.00 179.45 178.69 1r5i h GLU 28 N -0.12 0.49 -0.15 1.90 5.08 -1.79 0.31 114.58 120.31 1r5i h GLU 28 Ca 0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1r5i h GLU 28 Cb 0.32 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1r5i h GLU 28 CO 0.00 0.33 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.22 1r5i h LEU 29 N 0.51 0.31 -0.38 1.33 3.38 -1.06 -2.88 115.31 116.50 1r5i h LEU 29 Ca 0.41 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1r5i h LEU 29 Cb 0.58 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1r5i h LEU 29 CO -0.37 0.63 0.03 -0.33 0.09 0.00 0.00 178.44 178.49 1r5i h GLU 30 N -0.02 0.13 -0.79 1.13 4.39 0.14 -0.24 114.58 119.33 1r5i h GLU 30 Ca 0.04 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.89 1r5i h GLU 30 Cb 0.50 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1r5i h GLU 30 CO 0.02 0.09 0.53 -0.44 -1.16 0.00 0.00 179.01 178.04 1r5i h ASP 31 N 0.14 0.37 -0.04 1.42 3.32 -0.36 0.17 116.42 121.44 1r5i h ASP 31 Ca 0.19 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1r5i h ASP 31 Cb 0.25 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1r5i h ASP 31 CO -0.29 0.18 -0.36 0.40 -1.72 0.00 0.00 179.24 177.45 1r5i h ILE 32 N 0.39 1.45 -0.60 0.35 2.04 -0.95 -3.23 117.51 116.96 1r5i h ILE 32 Ca 0.39 -1.84 0.09 0.00 1.00 0.00 0.00 64.86 64.50 1r5i h ILE 32 Cb 0.95 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 39.46 1r5i h ILE 32 CO -0.13 0.52 0.40 1.88 0.00 0.00 0.00 178.15 180.83 1r5i h TYR 33 N -0.21 0.48 0.00 1.37 0.99 0.39 -1.34 116.97 118.65 1r5i h TYR 33 Ca -0.03 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1r5i h TYR 33 Cb 1.04 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.62 1r5i h TYR 33 CO 0.14 0.24 0.00 -0.91 -0.00 0.00 0.00 178.16 177.63 1r5i h ASN 34 N 0.46 0.00 0.17 3.88 2.35 -1.05 -2.31 115.58 119.08 1r5i h ASN 34 Ca 0.27 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1r5i h ASN 34 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1r5i h ASN 34 CO -0.08 0.00 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.40 1r5i h LEU 35 N 0.00 0.12 -5.96 1.61 -0.00 -1.34 -3.25 115.31 106.49 1r5i h LEU 35 Ca 0.00 -0.03 -0.72 0.00 -0.00 0.00 0.00 57.88 57.13 1r5i h LEU 35 Cb 0.27 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 40.84 1r5i h LEU 35 CO 0.00 0.36 2.97 -1.20 -0.00 0.00 0.00 178.44 180.58 1r5i n SER 36 N -4.21 4.84 0.07 -0.43 7.64 -0.87 -4.66 113.62 116.00 1r5i n SER 36 Ca -0.01 -2.87 -0.15 0.00 1.01 0.00 0.00 58.87 56.84 1r5i n SER 36 Cb 0.32 -1.60 -0.14 0.00 -1.01 0.00 0.00 64.21 61.78 1r5i n SER 36 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r5i h ASN 37 N 5.78 0.34 -4.09 6.43 7.08 -1.81 -3.46 115.58 125.85 1r5i h ASN 37 Ca 0.58 -0.43 -0.55 0.00 -3.08 0.00 0.00 56.30 52.81 1r5i h ASN 37 Cb 0.58 -0.11 0.15 0.00 -2.08 0.00 0.00 38.32 36.86 1r5i h ASN 37 CO 1.81 1.35 0.55 -0.54 -2.08 0.00 0.00 177.43 178.52 1r5i s LYS 38 N -2.64 2.76 0.19 4.14 1.02 -1.26 -4.94 119.74 119.02 1r5i s LYS 38 Ca -0.06 2.12 -0.09 0.00 0.02 0.00 0.00 55.97 57.96 1r5i s LYS 38 Cb 0.07 -1.99 0.10 0.00 -0.52 0.00 0.00 37.83 35.50 1r5i s LYS 38 CO 0.86 -1.45 1.69 1.05 -0.92 0.00 0.00 175.35 176.58 1r5i h GLU 39 N 0.86 1.13 0.00 1.68 -0.00 -2.02 -2.94 114.58 113.29 1r5i h GLU 39 Ca -0.51 -0.30 0.00 0.00 -0.00 0.00 0.00 59.36 58.55 1r5i h GLU 39 Cb 1.32 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1r5i h GLU 39 CO 0.55 1.03 0.00 -0.85 -0.00 0.00 0.00 179.01 179.73 1r5i n GLU 40 N -4.21 0.00 0.00 1.06 0.28 -1.26 -1.66 120.64 114.85 1r5i n GLU 40 Ca 0.04 0.38 0.08 0.00 -0.16 0.00 0.00 57.16 57.51 1r5i n GLU 40 Cb 0.29 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.71 1r5i n GLU 40 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1r5i n THR 41 N -1.49 0.00 -0.32 3.84 -2.24 -1.11 -4.64 114.28 108.32 1r5i n THR 41 Ca 0.02 -0.46 0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1r5i n THR 41 Cb 0.08 1.28 0.19 0.00 -2.10 0.00 0.00 70.33 69.77 1r5i n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1r5i h LYS 42 N 2.65 0.85 -0.23 -0.78 1.57 -1.37 -1.56 116.57 117.70 1r5i h LYS 42 Ca 0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1r5i h LYS 42 Cb 0.60 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1r5i h LYS 42 CO 0.00 0.56 -0.06 1.05 -0.57 0.00 0.00 179.45 180.43 1r5i h GLU 43 N 0.88 0.46 -0.22 3.15 4.11 -1.82 -3.07 114.58 118.06 1r5i h GLU 43 Ca 0.43 -0.18 -0.12 0.00 0.07 0.00 0.00 59.36 59.56 1r5i h GLU 43 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1r5i h GLU 43 CO -0.24 0.69 -0.37 -0.24 0.07 0.00 0.00 179.01 178.92 1r5i h VAL 44 N 0.19 1.30 -0.39 -1.06 3.04 -1.84 -2.73 116.25 114.75 1r5i h VAL 44 Ca 0.06 -1.51 0.10 0.00 -1.01 0.00 0.00 66.70 64.34 1r5i h VAL 44 Cb 0.53 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.32 1r5i h VAL 44 CO 0.02 0.47 0.28 0.25 -1.01 0.00 0.00 177.57 177.58 1r5i h LEU 45 N 0.42 0.09 0.07 3.16 7.12 -1.24 0.65 115.31 125.58 1r5i h LEU 45 Ca 0.04 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1r5i h LEU 45 Cb 0.84 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1r5i h LEU 45 CO 0.07 0.06 -0.04 0.11 -0.13 0.00 0.00 178.44 178.51 1r5i h LYS 46 N 0.10 -0.10 -1.00 1.25 1.57 -1.39 -1.89 116.57 115.11 1r5i h LYS 46 Ca 0.18 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.09 1r5i h LYS 46 Cb 0.60 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 1r5i h LYS 46 CO -0.02 0.29 0.63 -0.07 -0.57 0.00 0.00 179.45 179.71 1r5i h LEU 47 N -0.50 0.94 0.15 2.94 -0.00 -1.16 -1.12 115.31 116.55 1r5i h LEU 47 Ca -0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1r5i h LEU 47 Cb 0.43 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1r5i h LEU 47 CO 0.02 0.51 -0.07 0.15 -0.00 0.00 0.00 178.44 179.04 1r5i h PHE 48 N 1.01 -0.18 -0.70 1.13 3.57 -0.80 -1.36 116.94 119.61 1r5i h PHE 48 Ca 0.49 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.02 1r5i h PHE 48 Cb 0.46 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1r5i h PHE 48 CO -0.00 -0.02 0.43 0.87 -2.23 0.00 0.00 178.31 177.36 1r5i h LYS 49 N -0.31 0.81 -0.90 1.11 1.57 -0.80 -0.63 116.57 117.43 1r5i h LYS 49 Ca -0.02 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1r5i h LYS 49 Cb 0.25 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1r5i h LYS 49 CO 0.03 0.54 0.60 -0.07 -0.57 0.00 0.00 179.45 179.98 1r5i h LEU 50 N 0.84 1.03 -0.34 2.94 4.07 -1.07 -0.95 115.31 121.83 1r5i h LEU 50 Ca 0.29 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 58.11 1r5i h LEU 50 Cb 0.05 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1r5i h LEU 50 CO -0.12 0.74 -0.22 0.11 -1.08 0.00 0.00 178.44 177.87 1r5i h LYS 51 N 1.21 0.75 -0.61 1.13 1.79 -0.14 -0.38 116.57 120.34 1r5i h LYS 51 Ca 0.33 -0.35 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1r5i h LYS 51 Cb -0.13 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.46 1r5i h LYS 51 CO -0.07 0.97 0.35 0.28 -1.08 0.00 0.00 179.45 179.90 1r5i h VAL 52 N 0.53 1.01 -0.23 0.50 2.07 -0.64 0.32 116.25 119.82 1r5i h VAL 52 Ca 0.07 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1r5i h VAL 52 Cb 0.77 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1r5i h VAL 52 CO 0.06 0.12 0.13 0.78 0.02 0.00 0.00 177.57 178.69 1r5i h ASN 53 N 0.67 0.22 -0.99 0.57 -0.26 -0.97 -0.45 115.58 114.37 1r5i h ASN 53 Ca 0.26 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 56.06 1r5i h ASN 53 Cb 0.10 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.25 1r5i h ASN 53 CO -0.14 0.16 0.64 -0.61 -1.06 0.00 0.00 177.43 176.42 1r5i h GLN 54 N 0.27 1.15 0.12 0.81 4.15 -0.26 -1.34 115.11 120.02 1r5i h GLN 54 Ca 0.09 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1r5i h GLN 54 Cb -0.01 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1r5i h GLN 54 CO -0.04 0.76 -0.15 0.35 -1.93 0.00 0.00 178.83 177.82 1r5i h PHE 55 N 1.19 -0.39 -0.10 3.99 3.57 0.71 0.17 116.94 126.08 1r5i h PHE 55 Ca 0.42 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.96 1r5i h PHE 55 Cb 0.12 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1r5i h PHE 55 CO -0.00 -0.23 -0.16 1.88 -2.23 0.00 0.00 178.31 177.57 1r5i h TYR 56 N -0.31 -0.41 -0.93 0.41 -1.99 -0.60 -0.91 116.97 112.24 1r5i h TYR 56 Ca 0.01 0.02 0.13 0.00 2.00 0.00 0.00 58.73 60.89 1r5i h TYR 56 Cb 0.31 0.20 -0.07 0.00 2.00 0.00 0.00 36.73 39.16 1r5i h TYR 56 CO -0.14 -0.23 0.59 0.00 -0.00 0.00 0.00 178.16 178.38 1r5i h ARG 57 N -0.21 0.81 -0.22 4.88 3.08 -0.96 -1.59 114.38 120.18 1r5i h ARG 57 Ca 0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1r5i h ARG 57 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1r5i h ARG 57 CO -0.22 0.54 -0.11 1.25 -1.07 0.00 0.00 179.97 180.35 1r5i h HIS 58 N 0.84 0.54 0.32 3.04 2.76 0.03 -0.85 115.15 121.82 1r5i h HIS 58 Ca 0.46 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1r5i h HIS 58 Cb 0.58 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1r5i h HIS 58 CO -0.00 0.75 -0.18 0.00 -1.30 0.00 0.00 177.93 177.20 1r5i h ALA 59 N 0.71 -0.46 0.00 5.26 0.00 -0.40 -1.64 119.26 122.72 1r5i h ALA 59 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r5i h ALA 59 Cb 0.61 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r5i h ALA 59 CO 0.03 -0.77 -0.11 0.74 0.00 0.00 0.00 179.25 179.14 1r5i h PHE 60 N -0.47 0.00 -0.49 0.00 -1.00 -1.38 -1.38 116.94 112.22 1r5i h PHE 60 Ca -0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1r5i h PHE 60 Cb 0.38 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1r5i h PHE 60 CO -0.08 0.11 0.22 0.78 -1.61 0.00 0.00 178.31 177.73 1r5i h GLY 61 N 1.27 0.76 1.04 -1.45 0.00 -0.40 0.15 103.07 104.43 1r5i h GLY 61 Ca -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1r5i h GLY 61 CO 0.01 0.37 0.38 -2.22 0.00 0.00 0.00 176.54 175.09 1r5i h ILE 62 N 0.64 1.26 0.00 2.60 2.04 -0.36 -2.09 117.51 121.59 1r5i h ILE 62 Ca 0.17 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1r5i h ILE 62 Cb 0.15 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1r5i h ILE 62 CO -0.02 0.31 -0.16 1.62 0.00 0.00 0.00 178.15 179.90 1r5i h VAL 63 N 1.17 0.31 -0.05 1.67 3.04 -1.04 -1.73 116.25 119.62 1r5i h VAL 63 Ca 0.28 -1.22 -0.16 0.00 -1.01 0.00 0.00 66.70 64.59 1r5i h VAL 63 Cb 0.14 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1r5i h VAL 63 CO -0.03 0.16 -0.68 -1.13 -1.01 0.00 0.00 177.57 174.87 1r5i h ASN 64 N 0.00 0.29 0.23 3.17 -0.00 -0.05 -2.75 115.58 116.48 1r5i h ASN 64 Ca -0.00 -0.19 -0.33 0.00 -0.00 0.00 0.00 56.30 55.78 1r5i h ASN 64 Cb 0.95 -0.09 -0.06 0.00 -0.00 0.00 0.00 38.32 39.13 1r5i h ASN 64 CO 0.02 0.89 -2.06 0.47 -0.00 0.00 0.00 177.43 176.75 1r5i n ASP 65 N -3.82 0.61 -1.05 1.15 8.00 -0.96 -4.64 116.55 115.85 1r5i n ASP 65 Ca -0.03 0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.66 1r5i n ASP 65 Cb 0.67 0.34 0.15 0.00 -0.02 0.00 0.00 41.12 42.26 1r5i n ASP 65 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1r5i n TYR 66 N -2.95 0.65 0.44 1.24 4.01 -0.66 -4.71 117.16 115.19 1r5i n TYR 66 Ca -0.26 -1.60 0.05 0.00 -0.16 0.00 0.00 57.90 55.93 1r5i n TYR 66 Cb 1.10 -0.26 0.24 0.00 -0.31 0.00 0.00 39.34 40.11 1r5i n TYR 66 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1r5i n ASN 67 N -0.88 0.00 -0.41 7.72 0.23 -1.04 -1.15 115.26 119.73 1r5i n ASN 67 Ca 0.23 0.20 0.13 0.00 -0.53 0.00 0.00 54.58 54.61 1r5i n ASN 67 Cb 0.79 -0.32 0.30 0.00 -2.08 0.00 0.00 39.78 38.48 1r5i n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r5i n GLY 68 N -0.46 -0.20 3.51 4.83 0.00 -1.26 -4.78 105.19 106.83 1r5i n GLY 68 Ca 0.04 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1r5i n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r5i s LEU 69 N -2.35 4.68 0.36 0.99 2.96 -0.30 -4.97 118.68 120.05 1r5i s LEU 69 Ca 0.26 -0.52 0.19 0.00 -0.22 0.00 0.00 54.13 53.84 1r5i s LEU 69 Cb 0.19 -2.22 1.24 0.00 0.50 0.00 0.00 46.19 45.91 1r5i s LEU 69 CO 0.47 -0.35 1.62 0.25 -1.32 0.00 0.00 176.35 177.02 1r5i h LEU 70 N 8.64 0.40 0.00 -0.68 7.12 -1.86 0.28 115.31 129.21 1r5i h LEU 70 Ca -0.29 0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1r5i h LEU 70 Cb 1.14 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1r5i h LEU 70 CO 0.69 -0.30 0.00 -0.62 -0.13 0.00 0.00 178.44 178.08 1r5i n GLU 71 N -5.15 0.30 0.12 1.25 4.71 -1.26 -3.87 120.64 116.74 1r5i n GLU 71 Ca 0.35 0.07 0.10 0.00 -0.01 0.00 0.00 57.16 57.67 1r5i n GLU 71 Cb 1.16 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 30.69 1r5i n GLU 71 CO 0.00 0.00 0.00 0.10 0.09 0.00 0.00 177.13 177.32 1r5i h TYR 72 N 0.00 0.15 -0.47 -0.32 -0.00 -0.69 -1.45 116.97 114.20 1r5i h TYR 72 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.61 1r5i h TYR 72 Cb 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 36.90 1r5i h TYR 72 CO 0.00 0.08 -0.21 0.87 -0.00 0.00 0.00 178.16 178.90 1r5i h LYS 73 N 0.15 0.97 -0.07 0.10 1.57 -1.79 -0.91 116.57 116.59 1r5i h LYS 73 Ca 0.12 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1r5i h LYS 73 Cb 0.27 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1r5i h LYS 73 CO -0.02 1.08 -0.23 0.93 -0.57 0.00 0.00 179.45 180.64 1r5i h GLU 74 N 0.81 -0.32 -0.06 3.15 4.39 -1.53 0.13 114.58 121.16 1r5i h GLU 74 Ca 0.11 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1r5i h GLU 74 Cb 0.79 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1r5i h GLU 74 CO 0.07 -0.21 0.04 0.82 -1.16 0.00 0.00 179.01 178.56 1r5i h ILE 75 N -0.33 1.02 0.46 3.13 2.04 -1.43 0.45 117.51 122.85 1r5i h ILE 75 Ca 0.08 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1r5i h ILE 75 Cb 0.45 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1r5i h ILE 75 CO -0.26 0.02 -0.44 0.15 0.00 0.00 0.00 178.15 177.62 1r5i h PHE 76 N 0.07 -1.20 -0.51 1.37 3.57 -0.84 -1.79 116.94 117.60 1r5i h PHE 76 Ca 0.02 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1r5i h PHE 76 Cb 0.00 0.47 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1r5i h PHE 76 CO -0.07 -0.60 0.25 -0.91 -2.23 0.00 0.00 178.31 174.74 1r5i h ASN 77 N -0.91 0.34 -0.83 0.41 2.35 -0.67 -1.86 115.58 114.41 1r5i h ASN 77 Ca -0.05 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1r5i h ASN 77 Cb 0.79 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.06 1r5i h ASN 77 CO -0.05 0.23 0.46 0.24 -1.65 0.00 0.00 177.43 176.66 1r5i h MET 78 N 0.48 0.72 -0.16 0.81 2.86 -0.76 0.52 114.93 119.39 1r5i h MET 78 Ca 0.23 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1r5i h MET 78 Cb 0.17 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1r5i h MET 78 CO -0.18 0.48 -0.33 0.52 1.06 0.00 0.00 176.91 178.46 1r5i h MET 79 N 0.75 -0.38 -0.07 1.72 2.86 -0.47 -0.70 114.93 118.64 1r5i h MET 79 Ca 0.41 0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.97 1r5i h MET 79 Cb 0.44 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1r5i h MET 79 CO -0.28 -0.25 -0.48 0.74 1.06 0.00 0.00 176.91 177.71 1r5i h PHE 80 N -0.39 0.21 -0.31 -0.22 -1.00 -1.15 -1.54 116.94 112.54 1r5i h PHE 80 Ca 0.10 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 1r5i h PHE 80 Cb 0.55 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1r5i h PHE 80 CO -0.43 0.62 0.01 -0.07 -1.61 0.00 0.00 178.31 176.83 1r5i h LEU 81 N 0.14 0.43 -0.14 1.54 3.38 -0.22 -0.12 115.31 120.33 1r5i h LEU 81 Ca 0.01 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1r5i h LEU 81 Cb 0.90 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1r5i h LEU 81 CO 0.07 0.50 -0.61 0.11 0.09 0.00 0.00 178.44 178.59 1r5i h LYS 82 N 0.45 0.66 -0.46 1.13 1.57 -0.77 -2.92 116.57 116.24 1r5i h LYS 82 Ca 0.10 -0.52 0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1r5i h LYS 82 Cb 0.29 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 1r5i h LYS 82 CO 0.01 1.14 0.10 1.25 -0.57 0.00 0.00 179.45 181.38 1r5i h LEU 83 N 0.33 0.03 -0.69 2.94 6.46 -0.76 -0.80 115.31 122.82 1r5i h LEU 83 Ca -0.04 0.08 0.14 0.00 -0.12 0.00 0.00 57.88 57.94 1r5i h LEU 83 Cb 1.25 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 41.18 1r5i h LEU 83 CO 0.13 0.05 0.19 -1.28 -0.62 0.00 0.00 178.44 176.90 1r5i h SER 84 N 0.24 0.07 -0.58 1.25 0.87 -0.95 0.69 113.55 115.14 1r5i h SER 84 Ca 0.23 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 1r5i h SER 84 Cb 0.28 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1r5i h SER 84 CO -0.29 0.02 0.11 0.58 -0.53 0.00 0.00 176.83 176.72 1r5i h VAL 85 N 0.31 1.25 -0.89 2.23 2.07 -1.02 -2.65 116.25 117.54 1r5i h VAL 85 Ca 0.37 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1r5i h VAL 85 Cb 0.59 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1r5i h VAL 85 CO -0.44 0.35 0.55 0.58 0.02 0.00 0.00 177.57 178.63 1r5i h VAL 86 N 0.86 1.24 0.00 2.57 2.07 0.19 -0.86 116.25 122.32 1r5i h VAL 86 Ca 0.18 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1r5i h VAL 86 Cb 0.40 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1r5i h VAL 86 CO 0.01 0.25 -0.01 -0.26 0.02 0.00 0.00 177.57 177.57 1r5i h PHE 87 N 1.23 0.00 -0.34 1.57 0.04 -0.60 -0.96 116.94 117.88 1r5i h PHE 87 Ca 0.32 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.13 1r5i h PHE 87 Cb -0.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 1r5i h PHE 87 CO -0.00 0.01 0.13 -0.44 -0.60 0.00 0.00 178.31 177.41 1r5i h ASP 88 N 0.00 0.16 -0.17 2.17 5.19 -0.82 0.29 116.42 123.24 1r5i h ASP 88 Ca -0.00 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 1r5i h ASP 88 Cb 0.03 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1r5i h ASP 88 CO 0.00 0.13 -0.22 0.74 -3.12 0.00 0.00 179.24 176.77 1r5i h THR 89 N 0.28 1.34 -0.90 0.35 2.02 -1.27 -3.10 112.91 111.64 1r5i h THR 89 Ca 0.15 -1.42 0.14 0.00 0.77 0.00 0.00 66.41 66.05 1r5i h THR 89 Cb 0.11 1.87 -0.09 0.00 -1.74 0.00 0.00 68.15 68.29 1r5i h THR 89 CO -0.14 0.43 0.50 -0.61 0.37 0.00 0.00 175.52 176.07 1r5i h GLN 90 N 0.10 0.70 0.00 6.66 5.75 -0.80 0.13 115.11 127.65 1r5i h GLN 90 Ca 0.02 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1r5i h GLN 90 Cb 0.78 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1r5i h GLN 90 CO 0.05 0.47 -0.27 -0.09 -2.65 0.00 0.00 178.83 176.34 1r5i h ARG 91 N 0.73 0.00 -0.03 1.69 2.43 -0.37 -1.59 114.38 117.24 1r5i h ARG 91 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1r5i h ARG 91 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1r5i h ARG 91 CO -0.34 0.27 0.00 0.36 -1.51 0.00 0.00 179.97 178.75 1r5i n LYS 92 N -4.12 1.35 -2.58 0.20 2.85 -0.51 -4.39 118.16 110.97 1r5i n LYS 92 Ca -0.02 -1.51 -0.04 0.00 -1.05 0.00 0.00 58.31 55.69 1r5i n LYS 92 Cb 0.33 -1.32 0.05 0.00 -0.65 0.00 0.00 35.03 33.43 1r5i n LYS 92 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1r5i n GLU 93 N 0.95 1.94 0.20 -1.58 -0.58 -0.08 -4.93 120.64 116.56 1r5i n GLU 93 Ca 0.10 -3.52 0.13 0.00 -0.42 0.00 0.00 57.16 53.45 1r5i n GLU 93 Cb 0.42 -1.62 0.69 0.00 -0.57 0.00 0.00 31.44 30.36 1r5i n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1r5i h ALA 94 N 2.41 1.05 0.00 0.62 0.00 -1.50 -2.61 119.26 119.22 1r5i h ALA 94 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r5i h ALA 94 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1r5i h ALA 94 CO 0.27 -0.05 -0.02 0.09 0.00 0.00 0.00 179.25 179.55 1r5i n ASN 95 N -2.41 1.64 -4.45 0.00 3.02 -1.26 -3.97 115.26 107.83 1r5i n ASN 95 Ca -0.02 -2.00 -0.43 0.00 -0.03 0.00 0.00 54.58 52.10 1r5i n ASN 95 Cb 0.10 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 1r5i n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1r5i s ASN 96 N -1.13 6.29 0.20 6.41 3.84 -0.99 -4.84 114.94 124.72 1r5i s ASN 96 Ca 0.05 -1.28 -0.11 0.00 0.21 0.00 0.00 52.86 51.73 1r5i s ASN 96 Cb 0.04 -2.41 0.24 0.00 -0.55 0.00 0.00 41.25 38.57 1r5i s ASN 96 CO 0.00 -1.34 1.73 -0.37 -2.79 0.00 0.00 177.10 174.33 1r5i h VAL 97 N 5.96 0.74 -0.24 -5.21 -1.51 -1.92 -1.25 116.25 112.82 1r5i h VAL 97 Ca -0.17 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1r5i h VAL 97 Cb 1.06 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1r5i h VAL 97 CO 1.17 0.06 0.09 -0.33 -1.23 0.00 0.00 177.57 177.33 1r5i h GLU 98 N 0.31 0.32 -0.19 5.19 5.08 -1.97 -0.35 114.58 122.97 1r5i h GLU 98 Ca 0.28 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.40 1r5i h GLU 98 Cb 0.36 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1r5i h GLU 98 CO -0.32 0.27 -0.69 0.37 -1.00 0.00 0.00 179.01 177.64 1r5i h GLN 99 N 0.33 0.77 -0.18 2.33 5.75 -1.62 -1.95 115.11 120.55 1r5i h GLN 99 Ca 0.08 -0.58 -0.07 0.00 -0.15 0.00 0.00 58.65 57.93 1r5i h GLN 99 Cb 0.07 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1r5i h GLN 99 CO -0.01 1.19 -0.22 0.82 -2.65 0.00 0.00 178.83 177.97 1r5i h ILE 100 N 0.55 1.24 -0.51 2.39 5.03 -0.58 0.50 117.51 126.13 1r5i h ILE 100 Ca -0.03 -1.09 -0.08 0.00 -0.12 0.00 0.00 64.86 63.54 1r5i h ILE 100 Cb 1.30 1.34 -0.02 0.00 -3.03 0.00 0.00 36.82 36.42 1r5i h ILE 100 CO 0.14 0.34 0.00 0.11 -0.68 0.00 0.00 178.15 178.07 1r5i h LYS 101 N 0.29 0.90 -0.08 2.37 1.79 -0.92 -1.30 116.57 119.62 1r5i h LYS 101 Ca 0.05 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1r5i h LYS 101 Cb 0.55 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1r5i h LYS 101 CO 0.04 0.92 0.01 0.00 -1.08 0.00 0.00 179.45 179.35 1r5i h ARG 102 N 0.77 0.13 -0.67 3.15 3.08 -0.79 -1.66 114.38 118.39 1r5i h ARG 102 Ca 0.15 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.28 1r5i h ARG 102 Cb 0.52 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 1r5i h ARG 102 CO 0.03 0.35 0.22 -0.91 -1.07 0.00 0.00 179.97 178.58 1r5i h ASN 103 N -0.10 0.16 -0.44 7.04 -0.26 -0.78 0.38 115.58 121.58 1r5i h ASN 103 Ca 0.02 0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1r5i h ASN 103 Cb 0.28 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.61 1r5i h ASN 103 CO 0.00 0.07 0.25 0.40 -1.06 0.00 0.00 177.43 177.09 1r5i h ILE 104 N 0.36 1.02 -0.74 2.81 2.04 -1.00 0.17 117.51 122.17 1r5i h ILE 104 Ca 0.36 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1r5i h ILE 104 Cb 0.52 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1r5i h ILE 104 CO -0.39 0.09 0.45 0.00 0.00 0.00 0.00 178.15 178.30 1r5i h ALA 105 N 1.21 1.40 -0.10 1.87 0.00 0.14 -2.43 119.26 121.35 1r5i h ALA 105 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1r5i h ALA 105 Cb 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1r5i h ALA 105 CO -0.10 0.52 -0.01 0.82 0.00 0.00 0.00 179.25 180.49 1r5i h ILE 106 N 1.02 1.27 -0.99 0.00 2.04 0.76 -2.22 117.51 119.39 1r5i h ILE 106 Ca 0.27 -0.87 0.22 0.00 1.00 0.00 0.00 64.86 65.48 1r5i h ILE 106 Cb -0.05 1.65 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 1r5i h ILE 106 CO -0.05 0.25 0.62 -0.07 0.00 0.00 0.00 178.15 178.90 1r5i h LEU 107 N -0.11 0.60 -0.56 1.44 3.38 -0.71 0.57 115.31 119.92 1r5i h LEU 107 Ca 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1r5i h LEU 107 Cb 0.39 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1r5i h LEU 107 CO 0.01 0.18 0.29 0.44 0.09 0.00 0.00 178.44 179.45 1r5i h ASP 108 N 0.57 0.71 -0.28 -0.43 3.32 -1.02 -1.87 116.42 117.42 1r5i h ASP 108 Ca 0.56 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.39 1r5i h ASP 108 Cb 1.16 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1r5i h ASP 108 CO -0.32 0.62 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.29 1r5i h GLU 109 N 0.75 0.75 -0.48 3.56 5.08 0.56 -1.77 114.58 123.03 1r5i h GLU 109 Ca 0.19 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1r5i h GLU 109 Cb 0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1r5i h GLU 109 CO -0.03 0.89 0.25 0.82 -1.00 0.00 0.00 179.01 179.94 1r5i h ILE 110 N 0.66 0.97 -0.73 3.13 2.04 -0.28 0.97 117.51 124.26 1r5i h ILE 110 Ca 0.10 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1r5i h ILE 110 Cb 0.70 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1r5i h ILE 110 CO 0.05 0.09 0.37 0.24 0.00 0.00 0.00 178.15 178.91 1r5i h MET 111 N 0.49 1.04 -0.24 2.37 2.86 -1.01 -0.59 114.93 119.85 1r5i h MET 111 Ca 0.21 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1r5i h MET 111 Cb 0.10 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1r5i h MET 111 CO -0.14 0.80 0.12 0.00 1.06 0.00 0.00 176.91 178.75 1r5i h ALA 112 N 1.19 0.31 -0.89 6.32 0.00 -0.73 -1.44 119.26 124.02 1r5i h ALA 112 Ca 0.26 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1r5i h ALA 112 Cb 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1r5i h ALA 112 CO -0.04 -0.14 0.54 -0.22 0.00 0.00 0.00 179.25 179.40 1r5i h LYS 113 N 0.27 0.90 0.07 0.00 1.63 -0.42 0.81 116.57 119.82 1r5i h LYS 113 Ca 0.08 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1r5i h LYS 113 Cb 0.10 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1r5i h LYS 113 CO -0.01 0.59 -0.13 0.00 -3.45 0.00 0.00 179.45 176.45 1r5i h ALA 114 N 1.46 -0.20 -0.59 5.00 0.00 -0.57 0.04 119.26 124.40 1r5i h ALA 114 Ca 0.41 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.35 1r5i h ALA 114 Cb 0.31 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1r5i h ALA 114 CO -0.22 -0.64 0.33 -0.44 0.00 0.00 0.00 179.25 178.27 1r5i h ASP 115 N -0.25 0.50 0.55 0.00 3.45 -0.18 0.16 116.42 120.65 1r5i h ASP 115 Ca 0.02 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1r5i h ASP 115 Cb 0.28 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.96 1r5i h ASP 115 CO -0.08 0.34 -0.34 -1.13 -1.57 0.00 0.00 179.24 176.45 1r5i h ASN 116 N 0.63 -0.87 -1.00 6.45 -1.24 -0.41 -0.81 115.58 118.33 1r5i h ASN 116 Ca 0.25 0.05 0.21 0.00 0.71 0.00 0.00 56.30 57.52 1r5i h ASN 116 Cb 0.12 0.25 -0.11 0.00 0.73 0.00 0.00 38.32 39.31 1r5i h ASN 116 CO -0.15 -0.53 0.61 0.44 -1.29 0.00 0.00 177.43 176.52 1r5i h ASP 117 N -0.84 0.75 0.13 1.15 3.45 -0.84 0.40 116.42 120.62 1r5i h ASP 117 Ca -0.07 0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 1r5i h ASP 117 Cb 0.67 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1r5i h ASP 117 CO 0.07 0.23 -0.08 0.25 -1.57 0.00 0.00 179.24 178.14 1r5i h LEU 118 N 0.71 -0.21 -0.96 1.55 5.85 -0.48 -1.13 115.31 120.64 1r5i h LEU 118 Ca 0.60 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.37 1r5i h LEU 118 Cb 0.99 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1r5i h LEU 118 CO -0.40 -0.14 0.63 0.28 -0.34 0.00 0.00 178.44 178.47 1r5i h SER 119 N -0.21 1.04 0.37 1.25 0.02 0.42 -1.85 113.55 114.60 1r5i h SER 119 Ca -0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1r5i h SER 119 Cb 0.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1r5i h SER 119 CO 0.01 0.71 -0.18 0.22 -1.14 0.00 0.00 176.83 176.45 1r5i h TYR 120 N 1.21 -0.46 -0.07 3.45 3.20 -0.49 -0.39 116.97 123.42 1r5i h TYR 120 Ca 0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1r5i h TYR 120 Cb 0.02 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1r5i h TYR 120 CO -0.01 -0.27 0.05 0.74 -1.64 0.00 0.00 178.16 177.03 1r5i h PHE 121 N -0.52 0.08 -0.20 -3.82 0.05 -0.99 -1.25 116.94 110.29 1r5i h PHE 121 Ca -0.05 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.53 1r5i h PHE 121 Cb 0.39 -0.03 0.01 0.00 2.00 0.00 0.00 35.95 38.32 1r5i h PHE 121 CO -0.04 0.05 -0.70 0.82 -0.18 0.00 0.00 178.31 178.26 1r5i h ILE 122 N 0.09 1.28 -0.08 -0.55 2.04 -1.00 -2.73 117.51 116.55 1r5i h ILE 122 Ca 0.03 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 1r5i h ILE 122 Cb 0.01 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1r5i h ILE 122 CO -0.01 0.60 -0.03 0.77 0.00 0.00 0.00 178.15 179.48 1r5i h SER 123 N 0.59 0.10 0.48 1.72 4.64 0.04 -1.65 113.55 119.47 1r5i h SER 123 Ca -0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1r5i h SER 123 Cb 1.32 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1r5i h SER 123 CO 0.15 0.16 -0.19 0.00 -0.87 0.00 0.00 176.83 176.08 1r5i n GLN 124 N -4.43 0.45 -3.65 4.77 1.13 -0.66 -4.44 117.38 110.55 1r5i n GLN 124 Ca -0.02 -0.18 -0.31 0.00 -1.94 0.00 0.00 57.00 54.55 1r5i n GLN 124 Cb 0.16 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.93 1r5i n GLN 124 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1r5i n ASN 125 N -1.12 3.82 -0.26 1.08 2.85 -0.62 -4.93 115.26 116.08 1r5i n ASN 125 Ca 0.11 -3.26 0.06 0.00 -0.11 0.00 0.00 54.58 51.38 1r5i n ASN 125 Cb 0.31 -0.87 0.17 0.00 1.24 0.00 0.00 39.78 40.63 1r5i n ASN 125 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1r5i h LYS 126 N 5.30 0.13 -0.72 1.20 3.11 -1.78 -1.63 116.57 122.19 1r5i h LYS 126 Ca 0.17 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.04 1r5i h LYS 126 Cb 0.74 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.89 1r5i h LYS 126 CO 0.83 0.09 0.45 -0.97 -2.81 0.00 0.00 179.45 177.04 1r5i h ASN 127 N 0.14 0.72 -0.86 4.20 -1.24 -1.93 -1.77 115.58 114.85 1r5i h ASN 127 Ca 0.42 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.41 1r5i h ASN 127 Cb 0.75 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 1r5i h ASN 127 CO -0.63 0.49 0.46 0.15 -1.29 0.00 0.00 177.43 176.61 1r5i h PHE 128 N 0.86 1.19 -0.40 0.67 3.57 -1.67 -1.35 116.94 119.81 1r5i h PHE 128 Ca 0.29 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1r5i h PHE 128 Cb 0.05 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 1r5i h PHE 128 CO -0.04 0.83 0.21 1.96 -2.23 0.00 0.00 178.31 179.04 1r5i h GLN 129 N 1.21 0.42 -0.24 1.11 4.20 -1.02 0.57 115.11 121.35 1r5i h GLN 129 Ca 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1r5i h GLN 129 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1r5i h GLN 129 CO -0.05 0.28 0.15 0.93 -0.67 0.00 0.00 178.83 179.47 1r5i h GLU 130 N 0.43 0.32 -0.34 1.46 5.08 -0.83 -0.67 114.58 120.03 1r5i h GLU 130 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1r5i h GLU 130 Cb 0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1r5i h GLU 130 CO -0.11 0.25 0.18 -0.07 -1.00 0.00 0.00 179.01 178.26 1r5i h LEU 131 N 0.30 0.43 0.00 1.33 3.38 -0.90 -0.79 115.31 119.05 1r5i h LEU 131 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r5i h LEU 131 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1r5i h LEU 131 CO -0.02 0.41 -0.02 -0.25 0.09 0.00 0.00 178.44 178.65 1r5i h TRP 132 N 0.42 -0.06 -0.77 1.13 7.01 -0.74 -0.74 115.95 122.21 1r5i h TRP 132 Ca 0.12 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.23 1r5i h TRP 132 Cb 0.08 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.09 1r5i h TRP 132 CO -0.02 -0.04 0.39 -0.44 -2.79 0.00 0.00 178.44 175.54 1r5i h ASP 133 N -0.04 0.51 -0.75 2.65 3.32 -0.99 -0.81 116.42 120.30 1r5i h ASP 133 Ca 0.01 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1r5i h ASP 133 Cb 0.05 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1r5i h ASP 133 CO -0.02 0.27 0.49 0.50 -1.72 0.00 0.00 179.24 178.76 1r5i h LYS 134 N 0.64 0.96 -0.97 3.56 3.64 -0.38 0.60 116.57 124.62 1r5i h LYS 134 Ca 0.39 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.78 1r5i h LYS 134 Cb 0.45 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1r5i h LYS 134 CO -0.29 0.64 0.62 0.00 -2.27 0.00 0.00 179.45 178.14 1r5i h ALA 135 N 1.29 1.34 -0.16 5.00 0.00 0.26 -0.89 119.26 126.11 1r5i h ALA 135 Ca 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1r5i h ALA 135 Cb -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1r5i h ALA 135 CO -0.08 0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.76 1r5i h VAL 136 N 1.12 1.32 -0.40 0.00 2.07 -0.63 -2.10 116.25 117.63 1r5i h VAL 136 Ca 0.42 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1r5i h VAL 136 Cb 0.18 1.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 1r5i h VAL 136 CO -0.18 0.34 -0.30 0.50 0.02 0.00 0.00 177.57 177.96 1r5i h LYS 137 N 0.01 -0.22 -0.39 1.57 3.64 0.06 -0.95 116.57 120.29 1r5i h LYS 137 Ca 0.03 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1r5i h LYS 137 Cb 0.58 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1r5i h LYS 137 CO 0.03 -0.15 -0.14 -0.07 -2.27 0.00 0.00 179.45 176.85 1r5i h LEU 138 N -0.23 0.69 -1.24 5.20 3.38 -1.21 -2.28 115.31 119.62 1r5i h LEU 138 Ca 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1r5i h LEU 138 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1r5i h LEU 138 CO -0.53 0.84 0.10 0.74 0.09 0.00 0.00 178.44 179.69 1r5i h THR 139 N 0.63 1.19 -0.33 0.22 2.02 -0.63 0.40 112.91 116.41 1r5i h THR 139 Ca 0.11 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1r5i h THR 139 Cb 0.59 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1r5i h THR 139 CO 0.04 0.25 -0.13 0.11 0.37 0.00 0.00 175.52 176.15 1r5i h LYS 140 N 0.61 0.66 -0.56 6.66 1.57 -0.82 0.13 116.57 124.83 1r5i h LYS 140 Ca 0.14 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1r5i h LYS 140 Cb 0.23 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1r5i h LYS 140 CO -0.00 0.87 0.28 0.93 -0.57 0.00 0.00 179.45 180.96 1r5i h GLU 141 N 0.43 0.52 0.00 3.15 5.08 -0.83 0.03 114.58 122.98 1r5i h GLU 141 Ca 0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1r5i h GLU 141 Cb 0.65 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1r5i h GLU 141 CO 0.04 0.35 -0.12 1.98 -1.00 0.00 0.00 179.01 180.26 1r5i h MET 142 N 0.54 0.00 -0.82 2.33 4.05 -0.67 0.05 114.93 120.42 1r5i h MET 142 Ca 0.25 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 1r5i h MET 142 Cb 0.18 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 1r5i h MET 142 CO -0.18 0.12 0.48 -0.22 0.23 0.00 0.00 176.91 177.34 1r5i h LYS 143 N 0.00 1.12 0.00 0.39 3.64 0.11 -1.90 116.57 119.92 1r5i h LYS 143 Ca -0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1r5i h LYS 143 Cb 0.23 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1r5i h LYS 143 CO 0.02 0.80 -0.04 0.82 -2.27 0.00 0.00 179.45 178.78 1r5i h ILE 144 N 1.14 0.60 -1.00 2.00 2.04 -1.12 -3.35 117.51 117.81 1r5i h ILE 144 Ca 0.29 -1.46 0.34 0.00 1.00 0.00 0.00 64.86 65.03 1r5i h ILE 144 Cb -0.02 1.14 -0.16 0.00 -0.74 0.00 0.00 36.82 37.05 1r5i h ILE 144 CO -0.05 0.20 0.54 0.11 0.00 0.00 0.00 178.15 178.95 1r5i h LYS 145 N -1.00 0.24 -0.79 2.37 1.79 -0.98 0.44 116.57 118.64 1r5i h LYS 145 Ca -0.01 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1r5i h LYS 145 Cb 0.36 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1r5i h LYS 145 CO -0.00 0.16 0.05 1.28 -1.08 0.00 0.00 179.45 179.86 1r5i n LEU 146 N -5.11 3.99 -0.30 2.94 4.77 -0.72 -4.68 117.00 117.89 1r5i n LEU 146 Ca 0.33 -2.04 0.01 0.00 -0.03 0.00 0.00 56.01 54.27 1r5i n LEU 146 Cb 1.04 -0.62 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1r5i n LEU 146 CO 0.07 0.52 0.65 0.50 -1.33 0.00 0.00 177.39 177.80 1r5i h LYS 147 N 2.12 -0.03 -0.20 3.23 3.64 -0.25 -3.06 116.57 122.02 1r5i h LYS 147 Ca 0.05 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 1r5i h LYS 147 Cb 1.48 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 33.07 1r5i h LYS 147 CO 0.34 -0.02 -0.78 0.41 -2.27 0.00 0.00 179.45 177.13 1r5i n GLY 148 N -1.51 3.90 3.91 5.01 0.00 -1.26 -5.07 105.19 110.17 1r5i n GLY 148 Ca 0.10 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1r5i n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r5i s GLN 149 N -2.53 3.56 0.02 1.61 -0.21 -1.16 -5.05 119.66 115.91 1r5i s GLN 149 Ca 0.38 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.24 1r5i s GLN 149 Cb 0.38 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 1r5i s GLN 149 CO -0.07 0.41 1.31 0.21 -2.12 0.00 0.00 175.29 175.03 1r5i s LYS 150 N -3.07 4.34 -0.64 2.91 2.20 -1.26 -4.96 119.74 119.25 1r5i s LYS 150 Ca 0.40 1.87 0.05 0.00 -0.36 0.00 0.00 55.97 57.92 1r5i s LYS 150 Cb -0.11 -3.47 0.16 0.00 -1.51 0.00 0.00 37.83 32.90 1r5i s LYS 150 CO 0.27 -0.45 0.43 -0.51 -0.36 0.00 0.00 175.35 174.73 1r5i s LEU 151 N 1.85 4.51 -0.84 5.43 1.43 -1.26 -5.00 118.68 124.80 1r5i s LEU 151 Ca 0.61 -3.60 -0.20 0.00 -1.03 0.00 0.00 54.13 49.91 1r5i s LEU 151 Cb -0.30 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.46 1r5i s LEU 151 CO 0.27 -0.13 1.05 -0.62 0.23 0.00 0.00 176.35 177.15 1r5i s ASP 152 N -1.08 6.49 -0.09 2.29 -1.08 -1.26 -4.83 116.67 117.11 1r5i s ASP 152 Ca 0.23 -1.76 0.19 0.00 -0.52 0.00 0.00 52.55 50.69 1r5i s ASP 152 Cb -0.10 -2.39 0.68 0.00 -1.46 0.00 0.00 42.92 39.66 1r5i s ASP 152 CO -0.13 -1.15 1.59 0.18 0.52 0.00 0.00 175.17 176.19 1r5i n LEU 153 N 6.75 4.51 -0.30 -1.34 4.77 -1.26 -4.52 117.00 125.60 1r5i n LEU 153 Ca 0.14 -2.36 0.06 0.00 -0.03 0.00 0.00 56.01 53.82 1r5i n LEU 153 Cb 0.48 -0.55 0.21 0.00 -2.33 0.00 0.00 43.42 41.23 1r5i n LEU 153 CO 0.54 0.84 1.14 0.03 -1.33 0.00 0.00 177.39 178.61 1r5i h ARG 154 N 3.96 0.73 -0.61 3.23 3.08 -2.04 -1.74 114.38 120.99 1r5i h ARG 154 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1r5i h ARG 154 Cb 1.33 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1r5i h ARG 154 CO 0.18 0.48 0.00 -0.40 -1.07 0.00 0.00 179.97 179.16 1r5i n ASP 155 N -4.78 3.59 -1.30 7.04 5.68 -1.26 -4.94 116.55 120.58 1r5i n ASP 155 Ca 0.16 -2.18 -0.16 0.00 -0.50 0.00 0.00 54.79 52.10 1r5i n ASP 155 Cb 0.36 -0.46 -0.07 0.00 -1.14 0.00 0.00 41.12 39.81 1r5i n ASP 155 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r5i n GLY 156 N 1.22 1.57 0.08 6.12 0.00 -0.65 -4.84 105.19 108.68 1r5i n GLY 156 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 1r5i n GLY 156 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r5i n GLU 157 N -1.73 0.93 -0.12 1.61 -0.58 -1.26 -4.57 120.64 114.92 1r5i n GLU 157 Ca -0.16 -0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.46 1r5i n GLU 157 Cb 0.63 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 30.09 1r5i n GLU 157 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1r5i h VAL 158 N 0.00 1.27 -0.09 2.62 2.07 -1.89 -3.05 116.25 117.18 1r5i h VAL 158 Ca -0.44 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 65.81 1r5i h VAL 158 Cb 1.98 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1r5i h VAL 158 CO 0.02 0.45 -0.11 0.00 0.02 0.00 0.00 177.57 177.95 1r5i h ALA 159 N 1.02 -0.04 -0.76 1.67 0.00 -1.90 0.15 119.26 119.40 1r5i h ALA 159 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1r5i h ALA 159 Cb 0.72 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1r5i h ALA 159 CO 0.05 -0.57 0.28 0.82 0.00 0.00 0.00 179.25 179.83 1r5i h ILE 160 N -0.14 1.26 -0.65 0.00 5.03 -1.82 -1.97 117.51 119.21 1r5i h ILE 160 Ca 0.07 -0.85 -0.02 0.00 -0.12 0.00 0.00 64.86 63.93 1r5i h ILE 160 Cb 0.25 0.38 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 1r5i h ILE 160 CO -0.18 0.34 0.31 0.78 -0.68 0.00 0.00 178.15 178.73 1r5i h ASN 161 N 1.12 0.86 -0.57 1.72 2.35 -1.35 -0.03 115.58 119.68 1r5i h ASN 161 Ca 0.25 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1r5i h ASN 161 Cb 0.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1r5i h ASN 161 CO -0.02 0.75 0.33 0.11 -1.65 0.00 0.00 177.43 176.95 1r5i h LYS 162 N 0.91 0.78 -0.32 0.81 1.79 -0.66 -0.12 116.57 119.75 1r5i h LYS 162 Ca 0.22 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1r5i h LYS 162 Cb 0.12 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1r5i h LYS 162 CO -0.03 0.59 -0.01 0.28 -1.08 0.00 0.00 179.45 179.19 1r5i h VAL 163 N 0.77 1.20 -0.31 0.50 2.07 -0.87 -1.02 116.25 118.58 1r5i h VAL 163 Ca 0.20 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 1r5i h VAL 163 Cb 0.02 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1r5i h VAL 163 CO -0.04 0.27 -0.40 0.03 0.02 0.00 0.00 177.57 177.45 1r5i h ARG 164 N 0.48 0.74 0.55 1.57 2.47 -0.33 0.73 114.38 120.59 1r5i h ARG 164 Ca 0.10 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.41 1r5i h ARG 164 Cb 0.34 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1r5i h ARG 164 CO 0.01 1.01 -0.26 0.93 0.56 0.00 0.00 179.97 182.22 1r5i h GLU 165 N 0.61 -0.71 0.11 0.04 5.08 -0.53 -0.13 114.58 119.05 1r5i h GLU 165 Ca 0.05 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1r5i h GLU 165 Cb 0.95 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1r5i h GLU 165 CO 0.09 -0.48 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.50 1r5i h LEU 166 N -1.08 -0.13 -0.80 1.33 3.38 -1.30 -3.38 115.31 113.34 1r5i h LEU 166 Ca -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1r5i h LEU 166 Cb 0.57 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1r5i h LEU 166 CO 0.12 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.18 1r5i n PHE 167 N -5.09 0.00 -1.73 1.13 3.01 -0.46 -4.94 117.46 109.38 1r5i n PHE 167 Ca -0.08 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.20 1r5i n PHE 167 Cb 0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1r5i n PHE 167 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1r5i s GLY 168 N -0.08 -0.52 0.00 1.37 0.00 0.12 -0.31 107.32 107.90 1r5i s GLY 168 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1r5i s GLY 168 CO 0.00 4.00 0.00 -1.26 0.00 0.00 0.00 173.10 175.84 1r5i n SER 169 N 17.26 0.00 -4.69 1.64 2.88 -1.26 -4.81 113.62 124.64 1r5i n SER 169 Ca 0.44 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.56 1r5i n SER 169 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1r5i n SER 169 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r5i s ASP 170 N 0.00 6.90 0.18 -3.46 -1.08 0.57 -4.91 116.67 114.87 1r5i s ASP 170 Ca 0.00 2.05 -0.15 0.00 -0.52 0.00 0.00 52.55 53.92 1r5i s ASP 170 Cb 0.00 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 39.07 1r5i s ASP 170 CO 0.00 -0.69 1.27 0.29 0.52 0.00 0.00 175.17 176.56 1r5i n LYS 171 N 5.31 -0.21 -0.33 4.34 5.02 -1.26 -0.33 118.16 130.70 1r5i n LYS 171 Ca 0.13 1.25 -0.04 0.00 -2.02 0.00 0.00 58.31 57.63 1r5i n LYS 171 Cb 0.44 -1.86 0.09 0.00 -0.02 0.00 0.00 35.03 33.68 1r5i n LYS 171 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1r5i h ASN 172 N 0.00 1.12 0.45 4.39 -0.26 -1.96 0.05 115.58 119.37 1r5i h ASN 172 Ca 0.27 -0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1r5i h ASN 172 Cb 0.47 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1r5i h ASN 172 CO -0.81 0.91 -0.37 0.58 -1.06 0.00 0.00 177.43 176.69 1r5i h VAL 173 N 1.25 1.16 0.16 2.81 2.07 -0.97 -0.44 116.25 122.29 1r5i h VAL 173 Ca 0.31 -1.30 -0.32 0.00 0.82 0.00 0.00 66.70 66.21 1r5i h VAL 173 Cb 0.06 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1r5i h VAL 173 CO -0.05 0.36 -1.60 0.11 0.02 0.00 0.00 177.57 176.42 1r5i h LYS 174 N 0.00 0.34 0.05 1.57 1.57 -0.93 -3.41 116.57 115.76 1r5i h LYS 174 Ca -0.00 -0.57 -0.33 0.00 -1.87 0.00 0.00 60.65 57.87 1r5i h LYS 174 Cb 0.69 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1r5i h LYS 174 CO 0.05 1.23 -1.88 0.39 -0.57 0.00 0.00 179.45 178.67 1r5i n GLU 175 N -3.53 0.69 -3.63 3.15 1.02 -0.03 -4.86 120.64 113.44 1r5i n GLU 175 Ca -0.19 0.27 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 1r5i n GLU 175 Cb 1.06 -1.74 -0.11 0.00 -0.02 0.00 0.00 31.44 30.63 1r5i n GLU 175 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1r5i s LEU 176 N -6.47 4.76 0.23 -4.62 1.43 -0.18 -4.97 118.68 108.87 1r5i s LEU 176 Ca -0.13 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 51.72 1r5i s LEU 176 Cb 0.07 -1.98 0.30 0.00 0.03 0.00 0.00 46.19 44.62 1r5i s LEU 176 CO 0.80 -0.42 1.84 -0.25 0.23 0.00 0.00 176.35 178.55 1r5i h TRP 177 N 8.38 0.92 -0.66 0.29 7.01 -1.88 -1.60 115.95 128.40 1r5i h TRP 177 Ca -0.24 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.78 1r5i h TRP 177 Cb 1.09 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 1r5i h TRP 177 CO 0.59 0.47 0.40 0.11 -2.79 0.00 0.00 178.44 177.22 1r5i h TRP 178 N 0.92 0.87 0.65 2.65 5.08 -1.94 0.49 115.95 124.67 1r5i h TRP 178 Ca 0.35 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.29 1r5i h TRP 178 Cb 0.16 -0.29 0.01 0.00 -3.00 0.00 0.00 29.16 26.04 1r5i h TRP 178 CO -0.04 0.58 -0.31 0.35 -1.28 0.00 0.00 178.44 177.74 1r5i h PHE 179 N 0.90 -0.81 -0.60 0.12 3.04 -1.71 -0.19 116.94 117.70 1r5i h PHE 179 Ca 0.24 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.27 1r5i h PHE 179 Cb -0.03 0.27 -0.08 0.00 2.56 0.00 0.00 35.95 38.66 1r5i h PHE 179 CO -0.02 -0.48 0.16 -0.09 -2.02 0.00 0.00 178.31 175.86 1r5i h ARG 180 N -0.93 0.29 -0.83 1.11 2.43 -1.19 0.32 114.38 115.58 1r5i h ARG 180 Ca -0.09 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1r5i h ARG 180 Cb 0.69 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1r5i h ARG 180 CO 0.15 0.19 0.55 0.77 -1.51 0.00 0.00 179.97 180.12 1r5i h SER 181 N 0.30 0.86 -0.58 -3.80 0.02 -0.68 -0.22 113.55 109.45 1r5i h SER 181 Ca 0.31 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1r5i h SER 181 Cb 0.44 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1r5i h SER 181 CO -0.37 0.58 0.33 0.25 -1.14 0.00 0.00 176.83 176.48 1r5i h LEU 182 N 1.00 0.52 -0.59 5.07 5.85 0.95 0.37 115.31 128.47 1r5i h LEU 182 Ca 0.34 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 1r5i h LEU 182 Cb 0.10 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1r5i h LEU 182 CO -0.11 0.35 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.08 1r5i h LEU 183 N 0.64 0.93 -0.42 2.25 4.07 -0.85 0.46 115.31 122.40 1r5i h LEU 183 Ca 0.25 -0.33 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 1r5i h LEU 183 Cb 0.09 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1r5i h LEU 183 CO -0.13 1.09 0.04 0.58 -1.08 0.00 0.00 178.44 178.94 1r5i h VAL 184 N 0.80 1.25 -0.90 1.22 2.07 -0.54 -1.26 116.25 118.89 1r5i h VAL 184 Ca 0.11 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1r5i h VAL 184 Cb 0.74 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1r5i h VAL 184 CO 0.06 0.32 0.56 0.50 0.02 0.00 0.00 177.57 179.04 1r5i h LYS 185 N 0.55 1.00 -0.47 1.57 3.64 -0.07 -2.51 116.57 120.28 1r5i h LYS 185 Ca 0.12 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1r5i h LYS 185 Cb 0.42 -0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 1r5i h LYS 185 CO 0.01 0.66 -0.12 0.78 -2.27 0.00 0.00 179.45 178.52 1r5i h GLY 186 N 1.03 0.33 1.61 5.01 0.00 0.25 -2.01 103.07 109.30 1r5i h GLY 186 Ca 0.39 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 1r5i h GLY 186 CO -0.17 -0.18 0.04 -0.39 0.00 0.00 0.00 176.54 175.84 1r5i h VAL 187 N -0.00 1.17 -0.12 4.60 -1.51 -0.94 0.31 116.25 119.76 1r5i h VAL 187 Ca 0.22 -0.65 -0.05 0.00 -1.23 0.00 0.00 66.70 64.99 1r5i h VAL 187 Cb 0.34 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1r5i h VAL 187 CO -0.48 0.23 -0.14 1.88 -1.23 0.00 0.00 177.57 177.83 1r5i h TYR 188 N 0.48 0.19 -0.01 5.19 -1.99 -1.36 0.14 116.97 119.62 1r5i h TYR 188 Ca 0.11 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1r5i h TYR 188 Cb 0.25 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1r5i h TYR 188 CO 0.01 0.33 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.40 1r5i h LEU 189 N 0.18 0.04 -0.45 3.88 3.38 -0.50 -2.32 115.31 119.52 1r5i h LEU 189 Ca 0.04 -0.59 0.09 0.00 0.09 0.00 0.00 57.88 57.50 1r5i h LEU 189 Cb 0.36 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1r5i h LEU 189 CO 0.02 0.63 -0.14 0.40 0.09 0.00 0.00 178.44 179.43 1r5i h ILE 190 N -0.55 0.49 -0.32 1.22 1.08 0.10 0.12 117.51 119.65 1r5i h ILE 190 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1r5i h ILE 190 Cb 0.62 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 1r5i h ILE 190 CO 0.01 0.00 -0.10 0.50 -0.69 0.00 0.00 178.15 177.87 1r5i h LYS 191 N -0.04 -0.02 -0.01 2.37 1.63 -0.74 0.94 116.57 120.70 1r5i h LYS 191 Ca 0.22 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 1r5i h LYS 191 Cb 0.37 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1r5i h LYS 191 CO -0.48 -0.02 -0.10 0.00 -3.45 0.00 0.00 179.45 175.40 1r5i h ARG 192 N -0.03 0.01 -0.10 1.90 3.08 -0.56 -1.71 114.38 116.98 1r5i h ARG 192 Ca 0.16 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1r5i h ARG 192 Cb 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1r5i h ARG 192 CO -0.34 0.11 -0.06 -0.92 -1.07 0.00 0.00 179.97 177.69 1r5i h TYR 193 N 0.01 0.25 -0.87 3.04 3.20 0.14 -0.68 116.97 122.06 1r5i h TYR 193 Ca 0.00 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.86 1r5i h TYR 193 Cb 0.18 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1r5i h TYR 193 CO 0.00 0.59 0.57 1.88 -1.64 0.00 0.00 178.16 179.56 1r5i h TYR 194 N -0.16 1.01 0.00 -3.82 0.99 -0.50 0.24 116.97 114.73 1r5i h TYR 194 Ca 0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1r5i h TYR 194 Cb 0.53 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 37.93 1r5i h TYR 194 CO 0.07 0.54 0.00 0.39 -0.00 0.00 0.00 178.16 179.17 1r5i n GLU 195 N -4.48 0.21 -0.35 4.88 1.02 -0.68 -4.88 120.64 116.36 1r5i n GLU 195 Ca 0.13 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1r5i n GLU 195 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1r5i n GLU 195 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r5i n GLY 196 N 0.31 0.96 3.73 0.62 0.00 0.07 -5.06 105.19 105.82 1r5i n GLY 196 Ca 0.08 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1r5i n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r5i s ASP 197 N -2.29 7.02 0.00 1.61 -1.08 -0.28 -4.92 116.67 116.72 1r5i s ASP 197 Ca 0.00 2.25 0.11 0.00 -0.52 0.00 0.00 52.55 54.39 1r5i s ASP 197 Cb 0.00 -2.60 0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1r5i s ASP 197 CO 0.00 -0.45 0.74 2.30 0.52 0.00 0.00 175.17 178.29 1r5i n ILE 198 N 2.84 0.00 0.15 4.11 -5.35 -1.26 -4.51 119.36 115.34 1r5i n ILE 198 Ca 0.06 -0.44 0.04 0.00 -0.27 0.00 0.00 62.75 62.14 1r5i n ILE 198 Cb 0.44 1.17 0.10 0.00 -1.74 0.00 0.00 39.64 39.61 1r5i n ILE 198 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r5i h GLU 199 N 1.63 0.00 -0.29 6.28 4.39 -1.99 -3.40 114.58 121.19 1r5i h GLU 199 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1r5i h GLU 199 Cb 0.41 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1r5i h GLU 199 CO 0.00 0.46 -0.08 1.28 -1.16 0.00 0.00 179.01 179.51 1r5i n LEU 200 N -3.27 -0.12 0.31 1.33 4.32 -1.26 -0.46 117.00 117.84 1r5i n LEU 200 Ca 0.02 0.50 0.17 0.00 -0.02 0.00 0.00 56.01 56.68 1r5i n LEU 200 Cb 0.68 -0.15 0.98 0.00 -1.62 0.00 0.00 43.42 43.31 1r5i n LEU 200 CO 0.39 -0.48 1.13 0.11 -1.22 0.00 0.00 177.39 177.33 1r5i h LYS 201 N 0.00 0.00 -0.01 3.23 1.57 -1.83 0.14 116.57 119.68 1r5i h LYS 201 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1r5i h LYS 201 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1r5i h LYS 201 CO -0.30 0.00 -0.25 0.25 -0.57 0.00 0.00 179.45 178.58 1r5i n THR 202 N -3.68 0.00 -0.12 -0.16 -2.24 0.39 -3.75 114.28 104.71 1r5i n THR 202 Ca -0.03 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1r5i n THR 202 Cb 0.08 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1r5i n THR 202 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1r5i h THR 203 N 0.83 1.17 -1.76 4.28 2.02 -1.03 -3.47 112.91 114.94 1r5i h THR 203 Ca 0.00 -0.49 0.18 0.00 0.77 0.00 0.00 66.41 66.87 1r5i h THR 203 Cb 0.47 0.80 -0.18 0.00 -1.74 0.00 0.00 68.15 67.50 1r5i h THR 203 CO 0.00 0.18 0.68 -0.94 0.37 0.00 0.00 175.52 175.81 1r5i s SER 204 N -5.75 -0.24 0.32 4.18 1.04 -1.26 -4.98 113.70 107.01 1r5i s SER 204 Ca -0.13 0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.42 1r5i s SER 204 Cb 0.10 0.24 0.82 0.00 0.10 0.00 0.00 66.02 67.28 1r5i s SER 204 CO 0.74 -0.38 1.76 0.44 0.98 0.00 0.00 173.24 176.78 1r5i h ASP 205 N 2.06 0.72 0.54 7.02 3.32 -1.91 0.31 116.42 128.48 1r5i h ASP 205 Ca -0.15 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1r5i h ASP 205 Cb 1.19 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.74 1r5i h ASP 205 CO 0.26 0.20 -0.26 0.15 -1.72 0.00 0.00 179.24 177.87 1r5i h PHE 206 N 0.67 -0.68 -0.79 4.55 3.57 -1.94 -0.69 116.94 121.64 1r5i h PHE 206 Ca 0.61 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.24 1r5i h PHE 206 Cb 1.06 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.93 1r5i h PHE 206 CO -0.00 -0.36 0.35 0.00 -2.23 0.00 0.00 178.31 176.06 1r5i h ALA 207 N -0.50 1.14 0.07 2.41 0.00 -1.51 -0.77 119.26 120.10 1r5i h ALA 207 Ca -0.07 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r5i h ALA 207 Cb 0.61 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1r5i h ALA 207 CO 0.12 -0.18 -0.04 -0.22 0.00 0.00 0.00 179.25 178.93 1r5i h LYS 208 N 0.49 -0.11 -0.66 0.00 3.64 -0.27 -1.61 116.57 118.06 1r5i h LYS 208 Ca 0.44 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.85 1r5i h LYS 208 Cb 0.66 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1r5i h LYS 208 CO -0.40 -0.07 0.44 0.00 -2.27 0.00 0.00 179.45 177.15 1r5i h ALA 209 N 0.82 1.59 0.11 5.00 0.00 -0.11 -1.36 119.26 125.32 1r5i h ALA 209 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1r5i h ALA 209 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1r5i h ALA 209 CO 0.00 0.35 -0.05 0.28 0.00 0.00 0.00 179.25 179.83 1r5i h VAL 210 N 0.83 1.08 -0.30 0.00 2.07 -0.94 -3.30 116.25 115.68 1r5i h VAL 210 Ca 0.25 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1r5i h VAL 210 Cb -0.00 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1r5i h VAL 210 CO -0.06 0.26 0.00 0.49 0.02 0.00 0.00 177.57 178.27 1r5i n PHE 211 N -4.91 0.80 -3.42 1.57 3.01 -0.63 -4.68 117.46 109.19 1r5i n PHE 211 Ca -0.08 -0.30 -0.44 0.00 1.01 0.00 0.00 57.45 57.63 1r5i n PHE 211 Cb 0.27 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1r5i n PHE 211 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1r5i s GLU 212 N -1.72 3.22 0.00 -1.08 2.12 -0.52 -5.00 118.70 115.72 1r5i s GLU 212 Ca 0.25 -2.32 0.00 0.00 0.36 0.00 0.00 54.97 53.26 1r5i s GLU 212 Cb 0.17 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1r5i s GLU 212 CO 0.11 -1.26 0.00 -3.47 -0.54 0.00 0.00 175.26 170.09