#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5a s THR 3 N 0.00 3.56 0.20 4.28 2.01 -0.75 -4.71 115.64 120.23 1r5a s THR 3 Ca 0.00 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 1r5a s THR 3 Cb 0.00 -2.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.97 1r5a s THR 3 CO 0.00 0.58 0.77 -0.69 -0.69 0.00 0.00 174.62 174.59 1r5a s VAL 4 N -0.55 4.43 -0.07 3.82 1.01 -0.97 -1.01 120.40 127.06 1r5a s VAL 4 Ca 0.08 1.57 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 1r5a s VAL 4 Cb -0.12 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1r5a s VAL 4 CO 0.02 0.39 0.12 -0.22 0.00 0.00 0.00 175.10 175.41 1r5a s LEU 5 N -1.50 0.01 -0.22 3.92 2.96 -1.00 -1.38 118.68 121.47 1r5a s LEU 5 Ca 0.39 0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 54.32 1r5a s LEU 5 Cb -0.21 0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.58 1r5a s LEU 5 CO 0.24 -0.25 0.63 -0.31 -1.32 0.00 0.00 176.35 175.34 1r5a s TYR 6 N 2.25 3.33 0.30 5.38 1.51 -0.35 -1.70 117.35 128.08 1r5a s TYR 6 Ca 0.04 0.88 -0.02 0.00 -1.01 0.00 0.00 57.07 56.96 1r5a s TYR 6 Cb -0.12 -2.82 0.01 0.00 -0.11 0.00 0.00 41.96 38.92 1r5a s TYR 6 CO -0.05 -0.24 0.44 2.48 -1.11 0.00 0.00 175.55 177.07 1r5a n TYR 7 N 5.34 -1.37 -3.63 2.71 -0.00 -0.56 -2.58 117.16 117.07 1r5a n TYR 7 Ca -0.01 -1.99 -0.19 0.00 -0.00 0.00 0.00 57.90 55.71 1r5a n TYR 7 Cb 0.49 0.50 -0.16 0.00 -0.00 0.00 0.00 39.34 40.17 1r5a n TYR 7 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 1r5a s LEU 8 N 0.00 0.02 0.23 -3.48 2.96 -1.26 0.05 118.68 117.20 1r5a s LEU 8 Ca 0.24 0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 54.03 1r5a s LEU 8 Cb -0.01 0.14 0.26 0.00 0.50 0.00 0.00 46.19 47.08 1r5a s LEU 8 CO 0.17 -0.28 1.52 -2.65 -1.32 0.00 0.00 176.35 173.80 1r5a n PRO 9 N 5.31 -0.22 0.25 0.98 -0.02 -1.26 -0.93 135.00 139.11 1r5a n PRO 9 Ca -0.05 1.51 0.08 0.00 -2.02 0.00 0.00 63.50 63.02 1r5a n PRO 9 Cb 0.50 -2.24 0.61 0.00 -0.02 0.00 0.00 33.50 32.34 1r5a n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r5a h ALA 10 N 1.41 1.72 -2.06 3.55 0.00 -1.94 -3.43 119.26 118.51 1r5a h ALA 10 Ca 0.35 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.56 1r5a h ALA 10 Cb 0.60 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1r5a h ALA 10 CO -0.98 0.13 1.08 0.45 0.00 0.00 0.00 179.25 179.94 1r5a n SER 11 N -4.26 3.45 -0.19 0.00 2.88 -0.11 -4.72 113.62 110.68 1r5a n SER 11 Ca -0.03 0.98 -0.03 0.00 -1.33 0.00 0.00 58.87 58.47 1r5a n SER 11 Cb 0.18 -1.38 0.08 0.00 -0.75 0.00 0.00 64.21 62.34 1r5a n SER 11 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1r5a h PRO 12 N 9.01 0.50 -0.66 -1.46 0.11 -1.87 -1.64 132.00 135.99 1r5a h PRO 12 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1r5a h PRO 12 Cb 1.27 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1r5a h PRO 12 CO 0.94 0.33 0.27 -1.35 -0.21 0.00 0.00 178.00 177.98 1r5a h PRO 13 N 0.51 0.96 -0.30 1.05 0.11 -1.91 -2.57 132.00 129.85 1r5a h PRO 13 Ca 0.26 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 1r5a h PRO 13 Cb 0.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1r5a h PRO 13 CO -0.20 0.78 -0.27 0.00 -0.21 0.00 0.00 178.00 178.10 1r5a h ARG 15 N 0.53 0.00 0.49 0.00 3.08 -0.94 -1.68 114.38 115.87 1r5a h ARG 15 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1r5a h ARG 15 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1r5a h ARG 15 CO 0.06 0.39 -0.24 0.77 -1.07 0.00 0.00 179.97 179.89 1r5a h SER 16 N 0.00 -0.56 -0.86 7.04 0.02 -1.30 -1.62 113.55 116.27 1r5a h SER 16 Ca -0.00 -0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1r5a h SER 16 Cb 0.72 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.31 1r5a h SER 16 CO 0.05 -0.37 0.48 0.58 -1.14 0.00 0.00 176.83 176.43 1r5a h VAL 17 N -0.70 0.82 -0.34 2.27 2.07 -1.48 -2.05 116.25 116.84 1r5a h VAL 17 Ca -0.07 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1r5a h VAL 17 Cb 0.53 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1r5a h VAL 17 CO 0.11 0.13 0.03 -0.07 0.02 0.00 0.00 177.57 177.79 1r5a h LEU 18 N 0.73 0.57 0.76 2.57 3.38 -1.14 -0.64 115.31 121.55 1r5a h LEU 18 Ca 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1r5a h LEU 18 Cb 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1r5a h LEU 18 CO -0.31 0.71 -0.43 -0.07 0.09 0.00 0.00 178.44 178.43 1r5a h LEU 19 N 0.40 -1.08 -0.20 1.67 -0.00 -0.82 0.99 115.31 116.27 1r5a h LEU 19 Ca 0.10 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.09 1r5a h LEU 19 Cb 0.40 0.30 -0.07 0.00 -0.00 0.00 0.00 40.66 41.29 1r5a h LEU 19 CO 0.01 -0.69 -0.32 0.25 -0.00 0.00 0.00 178.44 177.69 1r5a h LEU 20 N -1.11 -1.02 -0.64 1.67 7.12 -1.39 0.35 115.31 120.29 1r5a h LEU 20 Ca -0.10 0.16 0.12 0.00 0.13 0.00 0.00 57.88 58.19 1r5a h LEU 20 Cb 0.88 0.44 -0.09 0.00 -0.53 0.00 0.00 40.66 41.37 1r5a h LEU 20 CO 0.12 -0.35 0.15 0.00 -0.13 0.00 0.00 178.44 178.24 1r5a h ALA 21 N 0.52 0.79 -0.47 1.25 0.00 -0.98 0.20 119.26 120.56 1r5a h ALA 21 Ca 0.12 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1r5a h ALA 21 Cb 0.54 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1r5a h ALA 21 CO -0.40 -0.30 -0.09 -0.22 0.00 0.00 0.00 179.25 178.24 1r5a h LYS 22 N 0.28 0.84 -0.41 0.00 1.63 0.39 0.71 116.57 120.02 1r5a h LYS 22 Ca 0.34 -0.28 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1r5a h LYS 22 Cb 0.52 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1r5a h LYS 22 CO -0.42 0.90 0.07 1.98 -3.45 0.00 0.00 179.45 178.53 1r5a h MET 23 N 0.77 0.68 -0.65 1.90 4.05 0.16 -3.10 114.93 118.73 1r5a h MET 23 Ca 0.13 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1r5a h MET 23 Cb 0.59 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1r5a h MET 23 CO 0.04 0.72 0.00 0.44 0.23 0.00 0.00 176.91 178.33 1r5a n ILE 24 N -4.52 1.73 -2.36 1.77 -5.35 0.50 -4.96 119.36 106.16 1r5a n ILE 24 Ca -0.00 -1.08 -0.14 0.00 -0.27 0.00 0.00 62.75 61.26 1r5a n ILE 24 Cb 0.23 0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1r5a n ILE 24 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r5a n GLY 25 N 1.03 -0.20 3.56 3.28 0.00 -0.45 -4.88 105.19 107.53 1r5a n GLY 25 Ca 0.24 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1r5a n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r5a s VAL 26 N -2.76 4.80 0.11 1.61 1.01 0.12 -5.01 120.40 120.28 1r5a s VAL 26 Ca 0.04 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1r5a s VAL 26 Cb -0.02 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1r5a s VAL 26 CO 0.05 -0.45 1.36 -0.70 0.00 0.00 0.00 175.10 175.36 1r5a s GLU 27 N 2.91 4.34 -0.13 2.72 2.56 -1.26 -4.53 118.70 125.31 1r5a s GLU 27 Ca 0.27 2.03 -0.01 0.00 0.00 0.00 0.00 54.97 57.26 1r5a s GLU 27 Cb -0.14 -3.26 -0.02 0.00 2.00 0.00 0.00 34.13 32.72 1r5a s GLU 27 CO 0.17 -0.40 -0.11 -0.51 -0.56 0.00 0.00 175.26 173.85 1r5a s LEU 28 N 1.04 2.82 -0.62 2.70 1.43 -1.26 -1.80 118.68 122.99 1r5a s LEU 28 Ca 0.63 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 1r5a s LEU 28 Cb -0.36 -1.64 0.10 0.00 0.03 0.00 0.00 46.19 44.33 1r5a s LEU 28 CO 0.30 0.18 0.75 -0.62 0.23 0.00 0.00 176.35 177.20 1r5a s ASP 29 N 0.25 6.21 0.23 2.29 2.15 -0.18 -4.92 116.67 122.71 1r5a s ASP 29 Ca -0.08 -1.43 -0.30 0.00 0.43 0.00 0.00 52.55 51.17 1r5a s ASP 29 Cb -0.15 -2.32 -0.09 0.00 -0.30 0.00 0.00 42.92 40.06 1r5a s ASP 29 CO 0.05 -1.14 0.94 -0.76 -0.17 0.00 0.00 175.17 174.08 1r5a s LEU 30 N 2.80 4.63 -0.29 -1.34 1.43 -1.26 -2.36 118.68 122.28 1r5a s LEU 30 Ca 0.14 1.93 -0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1r5a s LEU 30 Cb -0.22 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.49 1r5a s LEU 30 CO 0.06 0.14 0.11 -0.54 0.23 0.00 0.00 176.35 176.35 1r5a s LYS 31 N -1.07 0.44 0.24 1.70 1.02 -0.69 -4.96 119.74 116.42 1r5a s LYS 31 Ca 0.41 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 1r5a s LYS 31 Cb -0.26 -1.57 -0.10 0.00 -0.52 0.00 0.00 37.83 35.39 1r5a s LYS 31 CO 0.32 -0.99 1.36 0.08 -0.92 0.00 0.00 175.35 175.20 1r5a s VAL 32 N 1.88 2.91 -0.34 3.17 1.01 -1.26 -1.49 120.40 126.28 1r5a s VAL 32 Ca 0.09 0.78 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1r5a s VAL 32 Cb -0.17 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.81 1r5a s VAL 32 CO -0.30 0.13 0.06 -0.22 0.00 0.00 0.00 175.10 174.76 1r5a s LEU 33 N -0.49 4.53 -0.90 3.92 2.96 0.11 -4.84 118.68 123.97 1r5a s LEU 33 Ca 0.56 -2.12 -0.24 0.00 -0.22 0.00 0.00 54.13 52.11 1r5a s LEU 33 Cb -0.39 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1r5a s LEU 33 CO 0.42 -0.38 1.83 0.21 -1.32 0.00 0.00 176.35 177.11 1r5a s ASN 34 N 0.95 5.44 0.48 3.68 3.84 -1.26 -4.64 114.94 123.43 1r5a s ASN 34 Ca 0.11 -0.73 0.21 0.00 0.21 0.00 0.00 52.86 52.66 1r5a s ASN 34 Cb -0.19 -2.56 1.22 0.00 -0.55 0.00 0.00 41.25 39.17 1r5a s ASN 34 CO -0.09 -2.45 2.02 0.40 -2.79 0.00 0.00 177.10 174.19 1r5a h ILE 35 N 7.11 0.84 -0.63 -5.21 2.04 -1.95 -1.82 117.51 117.90 1r5a h ILE 35 Ca 0.08 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1r5a h ILE 35 Cb 1.02 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1r5a h ILE 35 CO 1.26 0.16 0.18 -0.03 0.00 0.00 0.00 178.15 179.71 1r5a h MET 36 N 0.00 1.00 -0.05 2.37 4.05 -2.04 -1.48 114.93 118.78 1r5a h MET 36 Ca -0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1r5a h MET 36 Cb 0.35 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1r5a h MET 36 CO 0.02 0.89 0.00 0.39 0.23 0.00 0.00 176.91 178.44 1r5a n GLU 37 N -4.34 1.40 -1.84 0.39 1.02 -0.90 -4.93 120.64 111.44 1r5a n GLU 37 Ca 0.04 -0.60 -0.07 0.00 -0.02 0.00 0.00 57.16 56.51 1r5a n GLU 37 Cb 0.23 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 1r5a n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r5a n GLY 38 N 1.04 0.34 0.25 0.62 0.00 -0.56 -4.95 105.19 101.94 1r5a n GLY 38 Ca 0.18 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1r5a n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r5a h GLU 39 N 0.00 0.00 0.00 1.61 5.08 -1.58 -2.12 114.58 117.57 1r5a h GLU 39 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1r5a h GLU 39 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1r5a h GLU 39 CO 0.20 0.13 0.00 -0.56 -1.00 0.00 0.00 179.01 177.78 1r5a h GLN 40 N 0.00 0.00 -0.00 2.33 -0.00 -1.89 -2.80 115.11 112.75 1r5a h GLN 40 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1r5a h GLN 40 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 1r5a h GLN 40 CO 0.02 0.00 -0.13 1.28 -0.00 0.00 0.00 178.83 180.00 1r5a n LEU 41 N -2.39 0.20 -4.77 0.06 4.77 -0.80 -4.17 117.00 109.90 1r5a n LEU 41 Ca 0.01 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.87 1r5a n LEU 41 Cb 0.22 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1r5a n LEU 41 CO 0.20 0.04 1.01 -0.54 -1.33 0.00 0.00 177.39 176.78 1r5a s LYS 42 N -2.84 3.96 0.28 3.23 1.02 -1.06 -4.76 119.74 119.56 1r5a s LYS 42 Ca 0.18 2.28 -0.06 0.00 0.02 0.00 0.00 55.97 58.39 1r5a s LYS 42 Cb 0.19 -2.79 0.50 0.00 -0.52 0.00 0.00 37.83 35.21 1r5a s LYS 42 CO 0.55 -0.55 1.53 -2.30 -0.92 0.00 0.00 175.35 173.66 1r5a n PRO 43 N 0.16 -0.09 0.26 -1.68 -0.02 -1.26 -1.27 135.00 131.11 1r5a n PRO 43 Ca 0.03 1.52 0.15 0.00 -2.02 0.00 0.00 63.50 63.18 1r5a n PRO 43 Cb 0.42 -2.29 0.62 0.00 -0.02 0.00 0.00 33.50 32.24 1r5a n PRO 43 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1r5a h ASP 44 N 0.00 0.00 0.13 2.55 3.32 -1.96 0.85 116.42 121.31 1r5a h ASP 44 Ca 0.49 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.21 1r5a h ASP 44 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1r5a h ASP 44 CO -0.99 0.07 -1.72 0.15 -1.72 0.00 0.00 179.24 175.02 1r5a h PHE 45 N 0.00 0.50 0.00 4.55 3.57 -1.48 -3.00 116.94 121.08 1r5a h PHE 45 Ca -0.00 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 1r5a h PHE 45 Cb 0.57 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1r5a h PHE 45 CO 0.00 1.68 -0.05 0.28 -2.23 0.00 0.00 178.31 177.99 1r5a h VAL 46 N -0.10 0.35 0.00 1.41 2.07 -1.18 0.77 116.25 119.57 1r5a h VAL 46 Ca -0.37 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.70 1r5a h VAL 46 Cb 1.92 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1r5a h VAL 46 CO 0.08 0.05 -0.86 -0.33 0.02 0.00 0.00 177.57 176.53 1r5a h GLU 47 N 0.00 0.00 0.01 1.57 5.08 -0.90 -3.19 114.58 117.15 1r5a h GLU 47 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1r5a h GLU 47 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1r5a h GLU 47 CO 0.01 0.79 -0.10 1.25 -1.00 0.00 0.00 179.01 179.96 1r5a h LEU 48 N 0.00 0.08 -7.31 1.33 5.85 -0.08 -3.43 115.31 111.74 1r5a h LEU 48 Ca -0.02 -0.83 -0.56 0.00 0.84 0.00 0.00 57.88 57.31 1r5a h LEU 48 Cb 1.64 -0.03 -0.40 0.00 0.37 0.00 0.00 40.66 42.25 1r5a h LEU 48 CO 0.10 0.91 -0.77 0.21 -0.34 0.00 0.00 178.44 178.56 1r5a s ASN 49 N -6.17 3.50 0.21 1.25 3.04 0.22 -5.00 114.94 111.99 1r5a s ASN 49 Ca -0.17 -1.18 -0.14 0.00 0.04 0.00 0.00 52.86 51.40 1r5a s ASN 49 Cb -0.01 -0.82 0.23 0.00 -1.54 0.00 0.00 41.25 39.12 1r5a s ASN 49 CO 0.71 -0.33 1.61 -0.65 -3.04 0.00 0.00 177.10 175.40 1r5a h PRO 50 N 8.13 -0.03 0.00 0.43 0.11 -1.81 0.68 132.00 139.50 1r5a h PRO 50 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1r5a h PRO 50 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1r5a h PRO 50 CO 0.40 -0.02 0.00 0.94 -0.21 0.00 0.00 178.00 179.11 1r5a n GLN 51 N -5.45 0.56 -3.87 1.05 7.27 -1.26 -4.91 117.38 110.77 1r5a n GLN 51 Ca 0.08 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.88 1r5a n GLN 51 Cb 0.35 -1.46 0.01 0.00 2.41 0.00 0.00 30.24 31.55 1r5a n GLN 51 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1r5a n HIS 52 N -0.96 -0.82 -4.37 3.69 1.44 0.24 -4.95 115.22 109.48 1r5a n HIS 52 Ca 0.12 0.07 -0.19 0.00 -2.01 0.00 0.00 57.72 55.72 1r5a n HIS 52 Cb 0.06 -1.58 -0.10 0.00 0.12 0.00 0.00 29.99 28.49 1r5a n HIS 52 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r5a s ILE 54 N -3.40 1.48 0.48 0.00 -4.36 -1.26 -4.06 121.20 110.07 1r5a s ILE 54 Ca 0.33 -1.57 -0.22 0.00 -0.26 0.00 0.00 60.65 58.93 1r5a s ILE 54 Cb 0.07 -1.46 -0.07 0.00 1.25 0.00 0.00 42.46 42.25 1r5a s ILE 54 CO 0.12 -0.22 1.12 -2.16 0.24 0.00 0.00 174.94 174.04 1r5a s PRO 55 N -2.16 3.67 -0.08 0.37 0.04 -1.26 -4.74 135.00 130.84 1r5a s PRO 55 Ca 0.06 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1r5a s PRO 55 Cb -0.08 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.23 1r5a s PRO 55 CO 0.04 -0.59 -0.08 0.99 0.04 0.00 0.00 177.00 177.40 1r5a s THR 56 N -1.69 0.91 -0.02 1.26 2.01 -1.06 -3.59 115.64 113.46 1r5a s THR 56 Ca 0.66 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1r5a s THR 56 Cb -0.25 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1r5a s THR 56 CO 0.29 0.33 0.03 -0.32 -0.69 0.00 0.00 174.62 174.26 1r5a s MET 57 N 1.31 2.92 -0.43 4.92 0.00 0.11 -1.21 119.30 126.92 1r5a s MET 57 Ca -0.03 -0.53 0.02 0.00 0.00 0.00 0.00 55.69 55.15 1r5a s MET 57 Cb -0.14 -2.76 0.14 0.00 0.00 0.00 0.00 34.83 32.07 1r5a s MET 57 CO -0.03 0.65 0.24 0.34 0.00 0.00 0.00 175.02 176.22 1r5a s ASP 58 N -1.52 3.53 -0.93 1.11 -1.08 -0.48 -0.74 116.67 116.55 1r5a s ASP 58 Ca 0.20 -2.61 -0.17 0.00 -0.52 0.00 0.00 52.55 49.45 1r5a s ASP 58 Cb -0.12 -0.95 0.16 0.00 -1.46 0.00 0.00 42.92 40.55 1r5a s ASP 58 CO 0.10 -0.26 1.05 -0.62 0.52 0.00 0.00 175.17 175.96 1r5a s ASP 59 N 0.39 6.73 -1.16 -0.34 2.15 0.97 -2.29 116.67 123.11 1r5a s ASP 59 Ca 0.18 -2.36 -0.10 0.00 0.43 0.00 0.00 52.55 50.70 1r5a s ASP 59 Cb -0.23 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 1r5a s ASP 59 CO -0.01 -0.87 0.80 1.41 -0.17 0.00 0.00 175.17 176.33 1r5a n HIS 60 N 5.63 -2.06 0.00 -5.34 8.25 -1.26 -1.77 115.22 118.66 1r5a n HIS 60 Ca 0.22 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1r5a n HIS 60 Cb 0.48 -3.92 0.00 0.00 1.12 0.00 0.00 29.99 27.67 1r5a n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r5a n GLY 61 N -1.52 2.67 3.57 -1.41 0.00 -1.26 -4.97 105.19 102.26 1r5a n GLY 61 Ca -0.15 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1r5a n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r5a s LEU 62 N 0.00 3.35 0.18 0.99 2.96 -0.73 -4.96 118.68 120.47 1r5a s LEU 62 Ca 0.00 0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 1r5a s LEU 62 Cb 0.00 -2.89 -0.08 0.00 0.50 0.00 0.00 46.19 43.73 1r5a s LEU 62 CO 0.00 -1.93 0.65 -0.69 -1.32 0.00 0.00 176.35 173.05 1r5a s VAL 63 N 7.07 4.69 -0.21 1.68 1.01 -1.26 -0.02 120.40 133.36 1r5a s VAL 63 Ca 0.58 1.11 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1r5a s VAL 63 Cb -0.12 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.55 1r5a s VAL 63 CO 0.24 0.25 0.96 -0.22 0.00 0.00 0.00 175.10 176.32 1r5a s LEU 64 N -1.90 -0.46 0.15 3.92 2.96 0.08 -4.98 118.68 118.44 1r5a s LEU 64 Ca 0.40 0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 55.02 1r5a s LEU 64 Cb -0.16 1.99 -0.04 0.00 0.50 0.00 0.00 46.19 48.48 1r5a s LEU 64 CO 0.20 -0.28 0.06 -1.66 -1.32 0.00 0.00 176.35 173.35 1r5a s TRP 65 N -0.44 0.96 0.00 5.38 -2.14 -1.26 0.07 118.94 121.51 1r5a s TRP 65 Ca -0.01 -1.22 0.00 0.00 2.66 0.00 0.00 56.10 57.53 1r5a s TRP 65 Cb -0.03 -0.53 0.00 0.00 -3.10 0.00 0.00 33.47 29.81 1r5a s TRP 65 CO -0.01 -0.49 0.00 0.39 -2.66 0.00 0.00 176.95 174.19 1r5a n GLU 66 N -0.14 0.00 -0.26 3.25 -0.58 -1.24 -4.75 120.64 116.92 1r5a n GLU 66 Ca -0.05 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.73 1r5a n GLU 66 Cb 0.64 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.60 1r5a n GLU 66 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1r5a n SER 67 N 0.00 -0.29 0.22 1.62 3.41 -1.26 0.37 113.62 117.69 1r5a n SER 67 Ca 0.00 1.24 0.09 0.00 -0.26 0.00 0.00 58.87 59.94 1r5a n SER 67 Cb 0.00 -0.36 0.51 0.00 -0.26 0.00 0.00 64.21 64.10 1r5a n SER 67 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1r5a h ARG 68 N 0.00 0.00 0.01 4.33 3.08 -1.93 -1.13 114.38 118.75 1r5a h ARG 68 Ca 0.33 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.18 1r5a h ARG 68 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1r5a h ARG 68 CO -0.73 0.24 -0.91 0.28 -1.07 0.00 0.00 179.97 177.78 1r5a h VAL 69 N 0.00 1.56 -0.07 2.04 2.07 -0.38 -3.00 116.25 118.47 1r5a h VAL 69 Ca -0.00 -2.85 -0.12 0.00 0.82 0.00 0.00 66.70 64.55 1r5a h VAL 69 Cb 0.62 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1r5a h VAL 69 CO 0.03 0.82 -0.49 0.40 0.02 0.00 0.00 177.57 178.35 1r5a h ILE 70 N 0.05 1.35 0.78 4.57 2.04 -0.61 -1.45 117.51 124.23 1r5a h ILE 70 Ca -0.03 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 1r5a h ILE 70 Cb 1.57 1.84 0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1r5a h ILE 70 CO 0.13 0.50 -0.37 -0.07 0.00 0.00 0.00 178.15 178.34 1r5a h LEU 71 N 0.14 -0.88 -0.52 1.44 3.38 -1.13 0.43 115.31 118.17 1r5a h LEU 71 Ca 0.01 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1r5a h LEU 71 Cb 0.92 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1r5a h LEU 71 CO 0.07 -0.56 0.19 0.77 0.09 0.00 0.00 178.44 179.00 1r5a h SER 72 N -1.16 0.19 0.24 -0.43 4.64 -1.51 -1.61 113.55 113.92 1r5a h SER 72 Ca -0.11 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1r5a h SER 72 Cb 0.81 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1r5a h SER 72 CO 0.17 0.13 -0.19 0.22 -0.87 0.00 0.00 176.83 176.30 1r5a h TYR 73 N 0.37 -0.52 -0.98 4.77 3.20 -1.17 -0.32 116.97 122.32 1r5a h TYR 73 Ca 0.25 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.39 1r5a h TYR 73 Cb 0.28 0.19 -0.14 0.00 1.54 0.00 0.00 36.73 38.60 1r5a h TYR 73 CO -0.16 -0.27 0.53 -0.07 -1.64 0.00 0.00 178.16 176.55 1r5a h LEU 74 N -0.41 0.51 -0.92 2.82 3.38 -0.78 0.52 115.31 120.42 1r5a h LEU 74 Ca -0.03 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1r5a h LEU 74 Cb 0.35 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1r5a h LEU 74 CO 0.00 -0.03 -0.25 0.58 0.09 0.00 0.00 178.44 178.83 1r5a h VAL 75 N 0.42 1.27 0.00 1.22 2.07 -1.07 0.32 116.25 120.48 1r5a h VAL 75 Ca 0.66 -1.28 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1r5a h VAL 75 Cb 1.37 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1r5a h VAL 75 CO -0.55 0.41 -0.71 0.28 0.02 0.00 0.00 177.57 177.01 1r5a h SER 76 N 0.44 0.00 0.53 0.57 0.02 0.17 -1.25 113.55 114.02 1r5a h SER 76 Ca 0.06 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.72 1r5a h SER 76 Cb 0.68 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1r5a h SER 76 CO 0.05 0.71 -1.56 0.00 -1.14 0.00 0.00 176.83 174.89 1r5a h ALA 77 N 1.29 0.52 0.00 3.77 0.00 -0.32 -3.42 119.26 121.10 1r5a h ALA 77 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1r5a h ALA 77 Cb 1.49 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1r5a h ALA 77 CO 0.09 1.37 0.00 0.66 0.00 0.00 0.00 179.25 181.37 1r5a n TYR 78 N -3.26 0.00 -0.85 0.00 4.01 0.11 -5.07 117.16 112.10 1r5a n TYR 78 Ca -0.15 -0.08 -0.29 0.00 -0.16 0.00 0.00 57.90 57.22 1r5a n TYR 78 Cb 1.03 -0.01 0.21 0.00 -0.31 0.00 0.00 39.34 40.26 1r5a n TYR 78 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1r5a s GLY 79 N -0.17 1.56 0.00 2.72 0.00 -0.47 -4.96 107.32 106.00 1r5a s GLY 79 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1r5a s GLY 79 CO 0.00 0.46 0.00 0.28 0.00 0.00 0.00 173.10 173.84 1r5a n LYS 80 N -4.54 0.00 -0.16 2.90 5.02 -1.26 -4.99 118.16 115.13 1r5a n LYS 80 Ca 0.04 0.00 0.28 0.00 -2.02 0.00 0.00 58.31 56.62 1r5a n LYS 80 Cb 0.55 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 36.29 1r5a n LYS 80 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1r5a h ASP 81 N 0.00 0.00 -4.07 4.39 2.03 -2.02 -3.41 116.42 113.34 1r5a h ASP 81 Ca 0.00 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.83 1r5a h ASP 81 Cb 0.00 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 38.64 1r5a h ASP 81 CO 0.00 0.00 0.25 -1.61 -1.03 0.00 0.00 179.24 176.85 1r5a s GLU 82 N -4.88 1.02 -0.39 4.15 8.01 -1.26 -5.00 118.70 120.35 1r5a s GLU 82 Ca -0.05 0.53 0.09 0.00 0.01 0.00 0.00 54.97 55.56 1r5a s GLU 82 Cb 0.20 -1.81 0.28 0.00 -4.31 0.00 0.00 34.13 28.50 1r5a s GLU 82 CO 0.72 -2.33 0.59 -1.71 0.01 0.00 0.00 175.26 172.55 1r5a n ASN 83 N -3.90 0.48 0.00 -0.19 2.85 -1.26 -4.90 115.26 108.33 1r5a n ASN 83 Ca 0.06 -2.81 0.15 0.00 -0.11 0.00 0.00 54.58 51.87 1r5a n ASN 83 Cb 0.57 -0.63 0.83 0.00 1.24 0.00 0.00 39.78 41.79 1r5a n ASN 83 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1r5a n LEU 84 N 1.02 0.00 -3.06 1.20 4.77 -1.26 -4.25 117.00 115.43 1r5a n LEU 84 Ca 0.23 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1r5a n LEU 84 Cb 0.57 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1r5a n LEU 84 CO 0.19 -0.00 0.01 -0.47 -1.33 0.00 0.00 177.39 175.79 1r5a s TYR 85 N -2.26 -1.05 0.10 -1.77 5.04 -1.26 -0.62 117.35 115.52 1r5a s TYR 85 Ca 0.38 -0.65 -0.36 0.00 -2.44 0.00 0.00 57.07 54.00 1r5a s TYR 85 Cb 0.20 0.03 -0.17 0.00 0.35 0.00 0.00 41.96 42.37 1r5a s TYR 85 CO 0.40 -1.14 1.17 -2.30 -1.34 0.00 0.00 175.55 172.34 1r5a n PRO 86 N 3.51 0.82 -0.05 4.97 -0.02 -1.26 -4.93 135.00 138.04 1r5a n PRO 86 Ca 0.17 0.29 -0.16 0.00 -2.02 0.00 0.00 63.50 61.79 1r5a n PRO 86 Cb 0.53 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 1r5a n PRO 86 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1r5a h LYS 87 N 3.59 0.83 -6.32 -0.52 1.79 -1.98 -3.37 116.57 110.60 1r5a h LYS 87 Ca -0.46 -0.59 -0.58 0.00 -2.18 0.00 0.00 60.65 56.84 1r5a h LYS 87 Cb 1.37 0.09 0.02 0.00 -1.58 0.00 0.00 32.23 32.13 1r5a h LYS 87 CO 0.71 1.21 1.15 -3.47 -1.08 0.00 0.00 179.45 177.97 1r5a n ASP 88 N -3.97 3.75 0.02 0.86 2.03 -1.26 -4.82 116.55 113.16 1r5a n ASP 88 Ca -0.06 0.95 0.03 0.00 0.52 0.00 0.00 54.79 56.23 1r5a n ASP 88 Cb 0.68 -1.44 0.40 0.00 -0.72 0.00 0.00 41.12 40.04 1r5a n ASP 88 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1r5a h PHE 89 N 9.72 0.48 -0.85 -0.67 -0.00 -1.98 0.32 116.94 123.97 1r5a h PHE 89 Ca -0.49 -0.01 0.03 0.00 -0.00 0.00 0.00 57.97 57.50 1r5a h PHE 89 Cb 1.26 -0.15 -0.05 0.00 -0.00 0.00 0.00 35.95 37.01 1r5a h PHE 89 CO 0.91 0.37 0.56 0.00 -0.00 0.00 0.00 178.31 180.14 1r5a h ARG 90 N 0.49 1.04 0.18 6.09 3.08 -1.96 0.21 114.38 123.51 1r5a h ARG 90 Ca 0.12 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 59.84 1r5a h ARG 90 Cb 0.07 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 29.91 1r5a h ARG 90 CO -0.02 0.69 -1.27 0.77 -1.07 0.00 0.00 179.97 179.08 1r5a h SER 91 N 1.07 0.60 -0.66 7.04 0.02 -1.51 -3.30 113.55 116.81 1r5a h SER 91 Ca 0.33 -0.92 0.07 0.00 -0.84 0.00 0.00 61.79 60.43 1r5a h SER 91 Cb 0.00 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1r5a h SER 91 CO -0.09 1.59 0.43 -0.09 -1.14 0.00 0.00 176.83 177.53 1r5a h ARG 92 N -0.12 0.60 -0.18 3.45 2.43 -0.12 -2.32 114.38 118.13 1r5a h ARG 92 Ca -0.24 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1r5a h ARG 92 Cb 1.90 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 31.27 1r5a h ARG 92 CO 0.18 0.40 -0.12 0.00 -1.51 0.00 0.00 179.97 178.92 1r5a h ALA 93 N 1.65 0.02 -0.67 2.80 0.00 -1.04 0.36 119.26 122.39 1r5a h ALA 93 Ca 0.29 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1r5a h ALA 93 Cb 0.33 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1r5a h ALA 93 CO -0.09 -0.55 0.38 0.82 0.00 0.00 0.00 179.25 179.81 1r5a h ILE 94 N -0.11 1.00 -0.54 0.00 1.08 -1.54 0.45 117.51 117.84 1r5a h ILE 94 Ca 0.10 -0.24 -0.08 0.00 -0.39 0.00 0.00 64.86 64.25 1r5a h ILE 94 Cb 0.27 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1r5a h ILE 94 CO -0.25 0.13 0.03 0.58 -0.69 0.00 0.00 178.15 177.96 1r5a h VAL 95 N 0.71 1.25 0.32 1.67 2.07 -1.12 -1.11 116.25 120.04 1r5a h VAL 95 Ca 0.29 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1r5a h VAL 95 Cb 0.15 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1r5a h VAL 95 CO -0.16 0.37 -0.15 0.44 0.02 0.00 0.00 177.57 178.08 1r5a h ASP 96 N 0.84 -0.36 -0.87 0.57 3.32 0.93 -2.03 116.42 118.83 1r5a h ASP 96 Ca 0.16 -0.13 0.23 0.00 0.02 0.00 0.00 57.03 57.31 1r5a h ASP 96 Cb 0.46 0.09 -0.15 0.00 0.22 0.00 0.00 39.33 39.95 1r5a h ASP 96 CO 0.02 -0.06 0.16 -0.61 -1.72 0.00 0.00 179.24 177.02 1r5a h GLN 97 N -0.68 0.15 -0.10 3.56 -0.00 0.10 0.33 115.11 118.47 1r5a h GLN 97 Ca -0.04 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.48 1r5a h GLN 97 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 1r5a h GLN 97 CO 0.07 0.10 -0.44 0.00 0.00 0.00 0.00 178.83 178.56 1r5a h ARG 98 N 0.15 0.23 -0.03 1.69 2.47 -1.05 0.28 114.38 118.12 1r5a h ARG 98 Ca 0.53 -0.11 -0.15 0.00 -1.26 0.00 0.00 59.98 58.98 1r5a h ARG 98 Cb 1.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 1r5a h ARG 98 CO -0.69 0.63 -0.67 -0.07 0.56 0.00 0.00 179.97 179.73 1r5a h LEU 99 N 0.19 0.17 -0.12 3.04 3.38 0.30 -2.17 115.31 120.10 1r5a h LEU 99 Ca 0.01 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 1r5a h LEU 99 Cb 0.86 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1r5a h LEU 99 CO 0.07 0.79 -0.96 0.45 0.09 0.00 0.00 178.44 178.87 1r5a h HIS 100 N 0.10 0.82 -0.39 1.13 3.86 -0.71 -1.99 115.15 117.97 1r5a h HIS 100 Ca -0.01 -0.44 0.07 0.00 -1.16 0.00 0.00 60.37 58.84 1r5a h HIS 100 Cb 1.19 -0.10 -0.07 0.00 1.06 0.00 0.00 27.41 29.50 1r5a h HIS 100 CO 0.01 1.26 -0.03 0.35 0.86 0.00 0.00 177.93 180.38 1r5a h PHE 101 N 0.33 -0.09 0.03 2.45 3.57 -0.80 0.34 116.94 122.77 1r5a h PHE 101 Ca -0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1r5a h PHE 101 Cb 1.60 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.44 1r5a h PHE 101 CO 0.08 -0.11 -0.02 0.22 -2.23 0.00 0.00 178.31 176.25 1r5a h ASP 102 N 0.07 -0.04 0.23 0.41 3.58 -1.35 0.53 116.42 119.84 1r5a h ASP 102 Ca 0.19 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1r5a h ASP 102 Cb 0.28 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1r5a h ASP 102 CO -0.35 0.07 -0.11 0.25 -2.88 0.00 0.00 179.24 176.22 1r5a h LEU 103 N -0.15 -0.26 -0.32 2.28 5.85 -0.95 0.08 115.31 121.85 1r5a h LEU 103 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1r5a h LEU 103 Cb 0.13 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1r5a h LEU 103 CO 0.01 0.06 -0.17 0.61 -0.34 0.00 0.00 178.44 178.60 1r5a n GLY 104 N -0.43 -0.84 0.76 3.75 0.00 0.12 -3.73 105.19 104.82 1r5a n GLY 104 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1r5a n GLY 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r5a n THR 105 N -0.87 0.00 0.24 2.61 -1.04 0.18 -4.80 114.28 110.60 1r5a n THR 105 Ca 0.13 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.97 1r5a n THR 105 Cb 0.31 -0.25 -0.10 0.00 -1.82 0.00 0.00 70.33 68.47 1r5a n THR 105 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1r5a h LEU 106 N 0.00 -1.42 -0.55 -4.42 5.85 -1.32 -1.70 115.31 111.74 1r5a h LEU 106 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1r5a h LEU 106 Cb 0.00 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1r5a h LEU 106 CO 0.00 -0.63 0.18 0.22 -0.34 0.00 0.00 178.44 177.87 1r5a h TYR 107 N -0.92 0.88 -0.62 1.25 3.20 -1.21 -2.52 116.97 117.03 1r5a h TYR 107 Ca -0.05 -0.09 0.11 0.00 3.14 0.00 0.00 58.73 61.84 1r5a h TYR 107 Cb 0.83 -0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 1r5a h TYR 107 CO -0.31 0.74 0.19 0.37 -1.64 0.00 0.00 178.16 177.51 1r5a h GLN 108 N 0.76 0.33 0.00 1.82 5.75 -1.62 0.19 115.11 122.35 1r5a h GLN 108 Ca 0.18 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1r5a h GLN 108 Cb 0.27 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1r5a h GLN 108 CO -0.01 0.22 0.00 0.00 -2.65 0.00 0.00 178.83 176.39 1r5a h ARG 109 N 0.34 0.00 0.08 1.69 3.08 -1.07 -1.71 114.38 116.79 1r5a h ARG 109 Ca 0.32 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.16 1r5a h ARG 109 Cb 0.45 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.52 1r5a h ARG 109 CO -0.36 0.00 -0.86 0.28 -1.07 0.00 0.00 179.97 177.96 1r5a h VAL 110 N 0.00 1.41 -0.41 2.04 2.07 -0.28 -2.93 116.25 118.15 1r5a h VAL 110 Ca 0.00 -2.32 -0.04 0.00 0.82 0.00 0.00 66.70 65.15 1r5a h VAL 110 Cb 0.48 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1r5a h VAL 110 CO 0.00 0.68 0.07 0.58 0.02 0.00 0.00 177.57 178.92 1r5a h VAL 111 N -0.06 1.20 -0.18 2.57 2.07 -0.76 -1.59 116.25 119.50 1r5a h VAL 111 Ca -0.13 -0.73 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 1r5a h VAL 111 Cb 1.59 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1r5a h VAL 111 CO 0.17 0.26 -0.55 0.44 0.02 0.00 0.00 177.57 177.91 1r5a h ASP 112 N 0.60 0.60 0.28 0.57 5.19 -1.34 -2.45 116.42 119.87 1r5a h ASP 112 Ca 0.13 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1r5a h ASP 112 Cb 0.28 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1r5a h ASP 112 CO 0.00 1.03 -0.46 0.00 -3.12 0.00 0.00 179.24 176.69 1r5a n TYR 113 N -3.96 0.00 0.03 4.55 9.36 -1.11 -4.69 117.16 121.35 1r5a n TYR 113 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1r5a n TYR 113 Cb 0.60 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 1r5a n TYR 113 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1r5a n TYR 114 N -0.99 -0.22 -0.11 2.98 4.02 -0.61 -4.76 117.16 117.47 1r5a n TYR 114 Ca 0.08 0.04 0.20 0.00 -0.01 0.00 0.00 57.90 58.21 1r5a n TYR 114 Cb 0.35 0.09 0.62 0.00 -0.02 0.00 0.00 39.34 40.38 1r5a n TYR 114 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1r5a h PHE 115 N 0.00 0.21 0.40 -0.72 0.05 -1.61 -2.28 116.94 112.98 1r5a h PHE 115 Ca 0.00 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.78 1r5a h PHE 115 Cb 0.40 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.29 1r5a h PHE 115 CO 0.00 0.07 -0.22 -1.35 -0.18 0.00 0.00 178.31 176.63 1r5a h PRO 116 N 0.17 -0.55 0.00 1.51 0.11 -1.84 1.55 132.00 132.95 1r5a h PRO 116 Ca 0.34 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 1r5a h PRO 116 Cb 1.10 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1r5a h PRO 116 CO -0.06 -0.37 -0.07 0.00 -0.21 0.00 0.00 178.00 177.29 1r5a h THR 117 N -0.57 0.55 0.00 -1.15 1.03 -1.66 1.21 112.91 112.32 1r5a h THR 117 Ca -0.05 -0.32 -0.03 0.00 -0.01 0.00 0.00 66.41 66.00 1r5a h THR 117 Cb 0.46 1.21 -0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1r5a h THR 117 CO 0.07 0.07 -0.40 0.40 -0.01 0.00 0.00 175.52 175.64 1r5a h ILE 118 N 0.00 0.19 0.00 0.00 2.04 -0.60 -1.53 117.51 117.62 1r5a h ILE 118 Ca -0.00 -1.29 -0.27 0.00 1.00 0.00 0.00 64.86 64.30 1r5a h ILE 118 Cb 0.20 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1r5a h ILE 118 CO 0.01 0.11 -2.02 1.41 0.00 0.00 0.00 178.15 177.66 1r5a n HIS 119 N -3.02 0.00 -1.70 1.37 8.25 0.52 -4.74 115.22 115.90 1r5a n HIS 119 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 1r5a n HIS 119 Cb 0.59 -0.73 0.01 0.00 1.12 0.00 0.00 29.99 30.98 1r5a n HIS 119 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r5a n LEU 120 N -2.62 0.19 -2.17 2.41 4.77 0.40 -5.00 117.00 114.98 1r5a n LEU 120 Ca -0.25 -0.96 -0.21 0.00 -0.03 0.00 0.00 56.01 54.56 1r5a n LEU 120 Cb 0.96 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.99 1r5a n LEU 120 CO 0.30 0.24 -0.25 0.61 -1.33 0.00 0.00 177.39 176.95 1r5a n GLY 121 N -0.10 0.22 3.53 -0.72 0.00 -0.57 -4.89 105.19 102.65 1r5a n GLY 121 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1r5a n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r5a s ALA 122 N -2.96 -0.02 0.22 4.61 0.00 -1.22 -4.83 121.76 117.56 1r5a s ALA 122 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1r5a s ALA 122 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1r5a s ALA 122 CO 0.00 -3.61 0.56 -1.01 0.00 0.00 0.00 175.76 171.70 1r5a s HIS 123 N -2.49 3.45 0.47 0.00 3.76 -1.26 -4.21 115.29 115.01 1r5a s HIS 123 Ca 0.68 0.93 -0.24 0.00 -0.15 0.00 0.00 55.06 56.28 1r5a s HIS 123 Cb -0.25 -2.29 -0.07 0.00 1.11 0.00 0.00 32.58 31.08 1r5a s HIS 123 CO 0.63 0.29 1.31 -0.51 -0.85 0.00 0.00 174.74 175.61 1r5a s LEU 124 N -2.68 4.04 -0.33 0.89 1.43 -1.26 -4.88 118.68 115.90 1r5a s LEU 124 Ca 0.46 2.66 -0.10 0.00 -1.03 0.00 0.00 54.13 56.12 1r5a s LEU 124 Cb -0.12 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.01 1r5a s LEU 124 CO 0.21 -1.14 0.17 -0.62 0.23 0.00 0.00 176.35 175.19 1r5a s ASP 125 N -0.89 5.61 0.20 2.29 -1.08 -1.26 -4.99 116.67 116.55 1r5a s ASP 125 Ca 0.63 -0.65 -0.11 0.00 -0.52 0.00 0.00 52.55 51.90 1r5a s ASP 125 Cb -0.38 -2.01 0.23 0.00 -1.46 0.00 0.00 42.92 39.30 1r5a s ASP 125 CO 0.47 -0.25 1.73 -0.61 0.52 0.00 0.00 175.17 177.03 1r5a h GLN 126 N 8.38 0.30 -0.68 4.34 4.15 -1.99 -1.11 115.11 128.49 1r5a h GLN 126 Ca -0.30 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.05 1r5a h GLN 126 Cb 1.13 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 1r5a h GLN 126 CO 0.63 0.20 0.24 1.79 -1.93 0.00 0.00 178.83 179.76 1r5a h THR 127 N 0.30 1.25 0.00 2.39 1.35 -2.00 -2.11 112.91 114.10 1r5a h THR 127 Ca 0.27 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1r5a h THR 127 Cb 0.35 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1r5a h THR 127 CO -0.32 0.32 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1r5a h LYS 128 N 0.98 0.00 0.00 4.72 1.57 -1.74 -2.13 116.57 119.97 1r5a h LYS 128 Ca 0.22 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 1r5a h LYS 128 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1r5a h LYS 128 CO -0.01 0.00 -1.17 -0.22 -0.57 0.00 0.00 179.45 177.48 1r5a h LYS 129 N 0.00 0.00 -0.04 3.15 3.64 -0.58 -3.24 116.57 119.51 1r5a h LYS 129 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1r5a h LYS 129 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1r5a h LYS 129 CO 0.00 0.44 -0.87 0.00 -2.27 0.00 0.00 179.45 176.75 1r5a h ALA 130 N 1.35 0.42 -0.75 5.00 0.00 -0.96 -2.44 119.26 121.88 1r5a h ALA 130 Ca -0.12 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 1r5a h ALA 130 Cb 1.60 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1r5a h ALA 130 CO 0.06 0.78 0.24 0.87 0.00 0.00 0.00 179.25 181.21 1r5a h LYS 131 N 0.28 1.15 -0.62 0.00 1.57 -1.57 0.38 116.57 117.76 1r5a h LYS 131 Ca -0.06 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1r5a h LYS 131 Cb 1.49 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1r5a h LYS 131 CO 0.15 0.97 0.28 1.25 -0.57 0.00 0.00 179.45 181.54 1r5a h LEU 132 N 1.11 0.82 -0.67 2.94 5.85 -1.57 -0.36 115.31 123.42 1r5a h LEU 132 Ca 0.24 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1r5a h LEU 132 Cb 0.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1r5a h LEU 132 CO -0.01 0.73 0.28 0.00 -0.34 0.00 0.00 178.44 179.10 1r5a h ALA 133 N 1.12 0.87 -0.96 1.25 0.00 -0.85 -0.32 119.26 120.37 1r5a h ALA 133 Ca 0.21 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1r5a h ALA 133 Cb 0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1r5a h ALA 133 CO -0.02 0.49 0.63 1.49 0.00 0.00 0.00 179.25 181.83 1r5a h GLU 134 N 0.95 1.22 -0.23 0.00 4.81 0.36 -0.35 114.58 121.33 1r5a h GLU 134 Ca 0.23 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 1r5a h GLU 134 Cb 0.20 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1r5a h GLU 134 CO -0.02 0.81 -0.39 0.00 -0.73 0.00 0.00 179.01 178.68 1r5a h ALA 135 N 1.42 0.36 -0.50 2.92 0.00 -0.58 -2.01 119.26 120.87 1r5a h ALA 135 Ca 0.36 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1r5a h ALA 135 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1r5a h ALA 135 CO -0.09 0.45 0.33 -0.07 0.00 0.00 0.00 179.25 179.87 1r5a h LEU 136 N 0.39 0.40 -0.42 0.00 3.38 -0.61 0.56 115.31 119.01 1r5a h LEU 136 Ca 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1r5a h LEU 136 Cb 0.98 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1r5a h LEU 136 CO 0.09 0.27 0.16 1.23 0.09 0.00 0.00 178.44 180.27 1r5a h GLY 137 N 0.46 0.69 0.95 0.83 0.00 -0.68 0.37 103.07 105.69 1r5a h GLY 137 Ca 0.21 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1r5a h GLY 137 CO -0.06 0.36 0.10 1.49 0.00 0.00 0.00 176.54 178.44 1r5a h TRP 138 N 0.54 0.24 -0.46 5.60 6.55 -0.28 -1.35 115.95 126.79 1r5a h TRP 138 Ca 0.14 -0.00 0.06 0.00 0.95 0.00 0.00 58.89 60.03 1r5a h TRP 138 Cb 0.21 -0.08 -0.05 0.00 -0.86 0.00 0.00 29.16 28.38 1r5a h TRP 138 CO 0.00 0.21 0.17 0.35 -1.05 0.00 0.00 178.44 178.13 1r5a h PHE 139 N 0.19 0.30 -0.78 0.49 3.57 -0.71 0.20 116.94 120.21 1r5a h PHE 139 Ca 0.06 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.72 1r5a h PHE 139 Cb 0.05 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.63 1r5a h PHE 139 CO -0.04 0.11 0.35 1.49 -2.23 0.00 0.00 178.31 177.98 1r5a h GLU 140 N 0.35 0.50 -0.27 1.11 4.57 0.33 0.33 114.58 121.49 1r5a h GLU 140 Ca 0.22 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1r5a h GLU 140 Cb 0.21 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1r5a h GLU 140 CO -0.22 0.33 -0.31 0.00 -1.18 0.00 0.00 179.01 177.63 1r5a h ALA 141 N 1.54 0.95 0.00 2.92 0.00 -0.06 -2.82 119.26 121.79 1r5a h ALA 141 Ca 0.42 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1r5a h ALA 141 Cb 0.61 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r5a h ALA 141 CO -0.38 0.61 -0.13 0.52 0.00 0.00 0.00 179.25 179.87 1r5a h MET 142 N 0.49 0.00 0.00 0.00 2.86 0.26 -2.81 114.93 115.73 1r5a h MET 142 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1r5a h MET 142 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1r5a h MET 142 CO 0.06 0.13 0.00 1.28 1.06 0.00 0.00 176.91 179.44 1r5a n LEU 143 N -3.41 0.00 -0.01 1.22 4.77 0.05 -4.01 117.00 115.61 1r5a n LEU 143 Ca -0.01 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1r5a n LEU 143 Cb 0.31 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1r5a n LEU 143 CO 0.30 -0.00 0.62 0.50 -1.33 0.00 0.00 177.39 177.48 1r5a h LYS 144 N 0.00 -0.00 -0.08 3.23 3.11 -1.60 -3.36 116.57 117.86 1r5a h LYS 144 Ca 0.00 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1r5a h LYS 144 Cb 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.30 1r5a h LYS 144 CO 0.00 0.51 -0.07 0.37 -2.81 0.00 0.00 179.45 177.45 1r5a h GLN 145 N -0.52 -0.07 -6.01 1.90 4.15 -1.79 -3.45 115.11 109.31 1r5a h GLN 145 Ca -0.00 0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.89 1r5a h GLN 145 Cb 0.52 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 1r5a h GLN 145 CO 0.00 -0.05 -0.43 0.71 -1.93 0.00 0.00 178.83 177.13 1r5a s TYR 146 N -6.18 2.57 0.18 3.99 1.51 -1.26 -5.02 117.35 113.14 1r5a s TYR 146 Ca -0.14 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1r5a s TYR 146 Cb 0.09 -2.04 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1r5a s TYR 146 CO 0.67 0.01 1.41 1.96 -1.11 0.00 0.00 175.55 178.50 1r5a h GLN 147 N 1.21 0.06 0.00 -0.62 4.20 -1.85 -3.45 115.11 114.66 1r5a h GLN 147 Ca -0.42 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1r5a h GLN 147 Cb 1.26 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 1r5a h GLN 147 CO 0.64 0.86 -0.01 0.91 -0.67 0.00 0.00 178.83 180.56 1r5a n TRP 148 N -3.59 -1.23 0.17 2.96 7.02 -1.04 -4.92 117.44 116.81 1r5a n TRP 148 Ca -0.01 -0.09 0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1r5a n TRP 148 Cb 0.80 -0.02 0.23 0.00 -2.42 0.00 0.00 31.31 29.90 1r5a n TRP 148 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1r5a h SER 149 N 0.03 0.00 0.00 -0.99 4.64 -1.87 -3.39 113.55 111.97 1r5a h SER 149 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1r5a h SER 149 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1r5a h SER 149 CO 0.02 0.44 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 1r5a n ALA 150 N -2.28 0.21 -3.20 5.18 0.00 -1.26 -4.82 120.51 114.34 1r5a n ALA 150 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1r5a n ALA 150 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 1r5a n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r5a s ALA 151 N 0.00 -0.34 -1.43 0.00 0.00 -1.26 -4.42 121.76 114.32 1r5a s ALA 151 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.27 1r5a s ALA 151 Cb 0.00 1.03 0.39 0.00 0.00 0.00 0.00 23.12 24.54 1r5a s ALA 151 CO 0.00 -0.85 1.24 0.09 0.00 0.00 0.00 175.76 176.24 1r5a n ASN 152 N -0.37 2.71 -4.11 0.00 3.02 -1.26 -2.48 115.26 112.76 1r5a n ASN 152 Ca -0.03 -2.21 -0.08 0.00 -0.03 0.00 0.00 54.58 52.23 1r5a n ASN 152 Cb 0.62 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 1r5a n ASN 152 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1r5a s HIS 153 N -1.66 0.69 0.13 3.10 -3.43 -1.26 -4.68 115.29 108.17 1r5a s HIS 153 Ca 0.28 -1.14 -0.31 0.00 -0.80 0.00 0.00 55.06 53.08 1r5a s HIS 153 Cb 0.17 -0.43 -0.09 0.00 -1.43 0.00 0.00 32.58 30.81 1r5a s HIS 153 CO 0.14 -0.46 1.51 0.12 -2.00 0.00 0.00 174.74 174.05 1r5a s PHE 154 N -3.98 3.05 0.34 0.38 5.36 -1.26 -4.75 117.98 117.12 1r5a s PHE 154 Ca 0.16 0.72 0.05 0.00 -0.96 0.00 0.00 56.93 56.90 1r5a s PHE 154 Cb 0.08 -3.83 -0.03 0.00 -0.34 0.00 0.00 43.02 38.89 1r5a s PHE 154 CO -0.04 -3.05 0.20 0.95 -1.46 0.00 0.00 175.22 171.82 1r5a s THR 155 N 1.34 0.26 0.14 0.12 -4.23 -1.26 -4.35 115.64 107.66 1r5a s THR 155 Ca 0.68 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.52 1r5a s THR 155 Cb -0.40 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.33 1r5a s THR 155 CO 0.31 0.00 2.01 0.16 -0.54 0.00 0.00 174.62 176.55 1r5a h ILE 156 N 2.06 0.00 -0.43 2.99 3.07 -1.22 -2.29 117.51 121.70 1r5a h ILE 156 Ca -0.31 -0.15 -0.08 0.00 1.55 0.00 0.00 64.86 65.87 1r5a h ILE 156 Cb 1.25 0.98 -0.01 0.00 -0.27 0.00 0.00 36.82 38.76 1r5a h ILE 156 CO 0.47 0.00 -0.04 0.00 -1.05 0.00 0.00 178.15 177.53 1r5a h ALA 157 N 2.04 0.58 -0.61 0.16 0.00 -1.86 -1.61 119.26 117.96 1r5a h ALA 157 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1r5a h ALA 157 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1r5a h ALA 157 CO 0.00 0.41 0.41 -0.44 0.00 0.00 0.00 179.25 179.63 1r5a h ASP 158 N 0.62 0.70 0.19 0.00 3.32 -1.82 0.14 116.42 119.57 1r5a h ASP 158 Ca 0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1r5a h ASP 158 Cb 0.55 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1r5a h ASP 158 CO 0.03 0.50 -0.09 0.40 -1.72 0.00 0.00 179.24 178.36 1r5a h ILE 159 N 0.82 0.91 0.22 0.35 2.04 -1.43 1.04 117.51 121.46 1r5a h ILE 159 Ca 0.23 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1r5a h ILE 159 Cb -0.08 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1r5a h ILE 159 CO -0.05 0.14 -0.34 0.00 0.00 0.00 0.00 178.15 177.90 1r5a h ALA 160 N 0.14 -0.65 -0.12 1.87 0.00 -0.87 -1.55 119.26 118.08 1r5a h ALA 160 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1r5a h ALA 160 Cb 0.43 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1r5a h ALA 160 CO 0.04 -0.91 -0.19 -0.07 0.00 0.00 0.00 179.25 178.12 1r5a h LEU 161 N -0.63 0.19 -1.29 0.00 3.38 -0.75 -2.13 115.31 114.09 1r5a h LEU 161 Ca 0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1r5a h LEU 161 Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1r5a h LEU 161 CO -0.14 0.40 -0.12 0.00 0.09 0.00 0.00 178.44 178.67 1r5a h VAL 163 N 0.32 1.39 -0.10 0.00 2.07 -0.65 -1.14 116.25 118.14 1r5a h VAL 163 Ca 0.06 -2.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.10 1r5a h VAL 163 Cb 0.41 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1r5a h VAL 163 CO 0.02 0.73 -0.11 0.74 0.02 0.00 0.00 177.57 178.98 1r5a h THR 164 N 0.24 1.36 -0.14 2.57 2.02 -1.15 -2.66 112.91 115.15 1r5a h THR 164 Ca -0.08 -1.27 -0.18 0.00 0.77 0.00 0.00 66.41 65.65 1r5a h THR 164 Cb 1.59 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1r5a h THR 164 CO 0.17 0.36 -0.65 0.58 0.37 0.00 0.00 175.52 176.34 1r5a h VAL 165 N -0.15 1.33 0.00 3.16 2.07 -1.29 -1.95 116.25 119.42 1r5a h VAL 165 Ca 0.02 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 1r5a h VAL 165 Cb 0.63 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1r5a h VAL 165 CO 0.03 0.60 -0.08 0.77 0.02 0.00 0.00 177.57 178.91 1r5a h SER 166 N 0.40 0.00 0.01 0.57 4.64 -1.24 0.67 113.55 118.59 1r5a h SER 166 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1r5a h SER 166 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1r5a h SER 166 CO 0.12 0.08 -0.00 -0.61 -0.87 0.00 0.00 176.83 175.54 1r5a h GLN 167 N 0.00 -0.01 -0.61 4.77 5.75 -1.23 -2.56 115.11 121.22 1r5a h GLN 167 Ca -0.00 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1r5a h GLN 167 Cb 0.21 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.65 1r5a h GLN 167 CO 0.01 0.85 -0.17 0.82 -2.65 0.00 0.00 178.83 177.68 1r5a h ILE 168 N -0.94 0.36 -0.58 2.39 2.04 -0.78 0.12 117.51 120.13 1r5a h ILE 168 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1r5a h ILE 168 Cb 0.86 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1r5a h ILE 168 CO 0.00 0.00 0.27 -0.08 0.00 0.00 0.00 178.15 178.35 1r5a h GLU 169 N -0.02 0.50 -0.71 2.37 4.81 -0.96 -1.10 114.58 119.47 1r5a h GLU 169 Ca 0.29 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1r5a h GLU 169 Cb 0.46 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1r5a h GLU 169 CO -0.64 0.33 0.43 0.00 -0.73 0.00 0.00 179.01 178.40 1r5a h ALA 170 N 1.34 1.41 0.00 2.92 0.00 -0.44 0.42 119.26 124.92 1r5a h ALA 170 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r5a h ALA 170 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1r5a h ALA 170 CO -0.21 0.51 0.00 1.19 0.00 0.00 0.00 179.25 180.73 1r5a n PHE 171 N -4.39 0.00 -3.15 0.00 3.72 0.13 -4.82 117.46 108.95 1r5a n PHE 171 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.24 1r5a n PHE 171 Cb 0.07 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1r5a n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1r5a n GLN 172 N -0.65 -4.86 -2.35 -1.08 6.02 0.15 -4.95 117.38 109.65 1r5a n GLN 172 Ca 0.04 0.82 -0.41 0.00 -0.01 0.00 0.00 57.00 57.44 1r5a n GLN 172 Cb 0.02 -5.67 -0.03 0.00 1.02 0.00 0.00 30.24 25.58 1r5a n GLN 172 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1r5a s PHE 173 N -3.15 3.39 -0.38 1.08 5.36 -1.02 -4.93 117.98 118.33 1r5a s PHE 173 Ca 0.35 1.55 -0.29 0.00 -0.96 0.00 0.00 56.93 57.59 1r5a s PHE 173 Cb -0.16 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.09 1r5a s PHE 173 CO 0.43 -1.08 1.52 0.34 -1.46 0.00 0.00 175.22 174.98 1r5a s ASP 174 N -0.55 6.22 -0.18 6.13 -1.08 -1.26 -4.74 116.67 121.20 1r5a s ASP 174 Ca 0.48 0.99 0.16 0.00 -0.52 0.00 0.00 52.55 53.65 1r5a s ASP 174 Cb -0.34 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.23 1r5a s ASP 174 CO 0.44 -1.50 1.57 0.18 0.52 0.00 0.00 175.17 176.37 1r5a n LEU 175 N 9.19 4.66 -0.26 -1.34 4.77 -1.26 -4.57 117.00 128.20 1r5a n LEU 175 Ca 0.18 -2.86 -0.03 0.00 -0.03 0.00 0.00 56.01 53.27 1r5a n LEU 175 Cb 0.48 -0.59 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1r5a n LEU 175 CO 0.70 0.68 1.11 -0.74 -1.33 0.00 0.00 177.39 177.81 1r5a h HIS 176 N 2.94 1.11 0.00 -1.77 2.76 -2.03 -2.14 115.15 116.03 1r5a h HIS 176 Ca 0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1r5a h HIS 176 Cb 1.62 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1r5a h HIS 176 CO 0.75 0.81 0.00 -1.35 -1.30 0.00 0.00 177.93 176.83 1r5a h PRO 177 N 1.11 0.00 -3.28 5.26 0.11 -2.01 -3.35 132.00 129.83 1r5a h PRO 177 Ca 0.27 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.73 1r5a h PRO 177 Cb 0.11 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 30.82 1r5a h PRO 177 CO -0.04 0.00 -0.47 0.71 -0.21 0.00 0.00 178.00 177.99 1r5a s TYR 178 N -3.62 3.50 0.30 0.65 1.51 -0.80 -4.93 117.35 113.96 1r5a s TYR 178 Ca -0.01 -3.15 0.15 0.00 -1.01 0.00 0.00 57.07 53.05 1r5a s TYR 178 Cb 0.09 -2.91 0.70 0.00 -0.11 0.00 0.00 41.96 39.73 1r5a s TYR 178 CO 0.32 -0.68 1.78 -1.00 -1.11 0.00 0.00 175.55 174.86 1r5a h PRO 179 N 6.05 0.00 -0.19 -1.71 0.13 -1.77 -1.96 132.00 132.55 1r5a h PRO 179 Ca 0.06 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.98 1r5a h PRO 179 Cb 0.83 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.97 1r5a h PRO 179 CO 0.73 0.40 -0.72 0.00 -0.23 0.00 0.00 178.00 178.18 1r5a h ARG 180 N 0.00 0.81 -0.42 0.86 3.08 -1.91 0.05 114.38 116.86 1r5a h ARG 180 Ca -0.00 -0.62 -0.03 0.00 0.07 0.00 0.00 59.98 59.40 1r5a h ARG 180 Cb 0.79 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1r5a h ARG 180 CO 0.05 1.24 0.16 0.28 -1.07 0.00 0.00 179.97 180.63 1r5a h VAL 181 N 0.57 1.20 -0.69 2.04 2.07 -1.88 0.12 116.25 119.68 1r5a h VAL 181 Ca -0.04 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1r5a h VAL 181 Cb 1.35 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1r5a h VAL 181 CO 0.15 0.23 0.16 0.03 0.02 0.00 0.00 177.57 178.16 1r5a h ARG 182 N 0.53 1.12 -0.27 1.57 3.08 -1.30 0.12 114.38 119.23 1r5a h ARG 182 Ca 0.14 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1r5a h ARG 182 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1r5a h ARG 182 CO -0.01 0.99 0.07 0.00 -1.07 0.00 0.00 179.97 179.96 1r5a h ALA 183 N 1.08 0.35 -0.31 0.04 0.00 -0.65 -2.31 119.26 117.45 1r5a h ALA 183 Ca 0.22 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1r5a h ALA 183 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1r5a h ALA 183 CO 0.00 -0.01 -0.27 2.35 0.00 0.00 0.00 179.25 181.33 1r5a h TRP 184 N 0.26 0.71 -0.70 0.00 7.01 -0.62 -2.83 115.95 119.79 1r5a h TRP 184 Ca 0.08 -0.17 0.01 0.00 2.11 0.00 0.00 58.89 60.92 1r5a h TRP 184 Cb 0.26 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 1r5a h TRP 184 CO 0.01 0.83 0.46 1.25 -2.79 0.00 0.00 178.44 178.20 1r5a h LEU 185 N 0.54 0.81 -0.23 0.65 6.46 -0.57 -0.83 115.31 122.14 1r5a h LEU 185 Ca 0.07 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1r5a h LEU 185 Cb 0.74 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1r5a h LEU 185 CO 0.06 0.59 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.37 1r5a h LEU 186 N 0.95 0.41 -0.78 2.25 3.38 -1.18 -2.57 115.31 117.77 1r5a h LEU 186 Ca 0.26 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1r5a h LEU 186 Cb -0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1r5a h LEU 186 CO -0.05 0.65 0.46 0.11 0.09 0.00 0.00 178.44 179.69 1r5a h LYS 187 N 0.17 0.79 -0.76 1.13 1.57 -1.20 -1.38 116.57 116.89 1r5a h LYS 187 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1r5a h LYS 187 Cb 0.45 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1r5a h LYS 187 CO 0.02 0.52 0.38 0.00 -0.57 0.00 0.00 179.45 179.80 1r5a h LYS 189 N 1.07 0.28 -0.11 0.00 1.57 -0.97 -1.13 116.57 117.28 1r5a h LYS 189 Ca 0.26 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1r5a h LYS 189 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1r5a h LYS 189 CO -0.04 0.69 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.93 1r5a h ASP 190 N -0.12 0.17 -0.15 0.86 3.45 -1.14 0.38 116.42 119.88 1r5a h ASP 190 Ca 0.02 -0.04 -0.16 0.00 0.43 0.00 0.00 57.03 57.28 1r5a h ASP 190 Cb 0.64 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1r5a h ASP 190 CO 0.03 0.35 -0.47 -0.08 -1.57 0.00 0.00 179.24 177.50 1r5a h GLU 191 N 0.17 0.72 0.00 3.56 4.57 -0.75 -3.28 114.58 119.57 1r5a h GLU 191 Ca 0.03 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1r5a h GLU 191 Cb 0.39 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1r5a h GLU 191 CO 0.02 1.03 -1.32 1.28 -1.18 0.00 0.00 179.01 178.85 1r5a n LEU 192 N -4.01 0.50 -0.32 1.64 4.77 -0.44 -4.52 117.00 114.62 1r5a n LEU 192 Ca -0.03 -0.01 0.18 0.00 -0.03 0.00 0.00 56.01 56.12 1r5a n LEU 192 Cb 0.57 -0.05 0.36 0.00 -2.33 0.00 0.00 43.42 41.97 1r5a n LEU 192 CO 0.48 0.02 0.93 -0.33 -1.33 0.00 0.00 177.39 177.15 1r5a h GLU 193 N 0.00 0.10 -0.84 3.23 5.08 -0.31 0.94 114.58 122.79 1r5a h GLU 193 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1r5a h GLU 193 Cb 0.83 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1r5a h GLU 193 CO 0.00 0.07 0.02 0.41 -1.00 0.00 0.00 179.01 178.51 1r5a n GLY 194 N -1.39 2.19 1.27 -3.84 0.00 -1.26 -3.75 105.19 98.41 1r5a n GLY 194 Ca 0.26 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1r5a n GLY 194 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r5a n HIS 195 N 0.23 0.04 -1.07 1.61 8.25 0.32 -4.98 115.22 119.62 1r5a n HIS 195 Ca 0.13 -0.82 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1r5a n HIS 195 Cb 0.68 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1r5a n HIS 195 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r5a n GLY 196 N 0.02 0.45 0.40 -1.41 0.00 -1.21 -4.56 105.19 98.88 1r5a n GLY 196 Ca 0.10 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1r5a n GLY 196 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1r5a h TYR 197 N 0.00 -1.02 0.45 1.61 5.03 -1.67 0.75 116.97 122.12 1r5a h TYR 197 Ca 0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1r5a h TYR 197 Cb 0.16 0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 1r5a h TYR 197 CO 0.00 -0.55 -0.37 -0.22 -1.32 0.00 0.00 178.16 175.70 1r5a h LYS 198 N -0.85 -0.77 -0.98 1.82 1.63 -1.87 0.64 116.57 116.18 1r5a h LYS 198 Ca -0.05 0.05 0.18 0.00 -0.85 0.00 0.00 60.65 59.99 1r5a h LYS 198 Cb 0.72 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 32.44 1r5a h LYS 198 CO -0.00 -0.51 0.61 1.49 -3.45 0.00 0.00 179.45 177.59 1r5a h GLU 199 N -0.80 0.70 0.00 1.90 4.81 -1.92 -1.76 114.58 117.51 1r5a h GLU 199 Ca -0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1r5a h GLU 199 Cb 0.67 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1r5a h GLU 199 CO -0.01 0.46 -0.78 -0.89 -0.73 0.00 0.00 179.01 177.07 1r5a n ILE 200 N -4.68 1.46 0.03 2.32 5.41 0.26 -4.54 119.36 119.62 1r5a n ILE 200 Ca 0.22 0.17 -0.17 0.00 1.00 0.00 0.00 62.75 63.97 1r5a n ILE 200 Cb 0.57 -2.37 -0.14 0.00 -0.71 0.00 0.00 39.64 36.99 1r5a n ILE 200 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1r5a h ASN 201 N -1.00 0.33 -0.26 4.38 -0.73 0.08 -3.18 115.58 115.20 1r5a h ASN 201 Ca -0.00 -0.57 -0.15 0.00 1.87 0.00 0.00 56.30 57.45 1r5a h ASN 201 Cb 0.78 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.25 1r5a h ASN 201 CO -0.00 1.50 -0.37 -0.08 -0.37 0.00 0.00 177.43 178.10 1r5a h GLU 202 N 0.06 0.80 0.00 6.67 4.81 -0.65 -1.05 114.58 125.22 1r5a h GLU 202 Ca -0.31 -0.41 -0.12 0.00 -0.13 0.00 0.00 59.36 58.39 1r5a h GLU 202 Cb 2.03 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.39 1r5a h GLU 202 CO 0.13 1.04 -0.58 1.79 -0.73 0.00 0.00 179.01 180.65 1r5a h THR 203 N 0.66 1.25 0.06 0.32 1.35 -1.51 -3.11 112.91 111.93 1r5a h THR 203 Ca 0.06 -2.12 -0.26 0.00 -0.55 0.00 0.00 66.41 63.54 1r5a h THR 203 Cb 0.93 2.20 0.01 0.00 -1.73 0.00 0.00 68.15 69.56 1r5a h THR 203 CO 0.09 0.57 -1.09 1.23 -0.25 0.00 0.00 175.52 176.07 1r5a h GLY 204 N 2.23 0.50 1.32 5.82 0.00 -1.48 -3.09 103.07 108.36 1r5a h GLY 204 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 47.33 46.23 1r5a h GLY 204 CO 0.08 0.88 -0.16 0.00 0.00 0.00 0.00 176.54 177.33 1r5a h ALA 205 N 0.58 0.92 0.69 3.60 0.00 -1.23 -2.61 119.26 121.21 1r5a h ALA 205 Ca -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1r5a h ALA 205 Cb 1.75 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1r5a h ALA 205 CO 0.19 0.62 -0.33 0.93 0.00 0.00 0.00 179.25 180.66 1r5a h GLU 206 N 0.71 -0.89 -1.01 0.00 4.39 -1.61 0.24 114.58 116.41 1r5a h GLU 206 Ca 0.11 0.06 0.25 0.00 0.34 0.00 0.00 59.36 60.12 1r5a h GLU 206 Cb 0.66 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.40 1r5a h GLU 206 CO 0.05 -0.59 0.61 1.79 -1.16 0.00 0.00 179.01 179.70 1r5a h THR 207 N -1.07 0.54 -0.08 1.13 1.35 -1.60 1.64 112.91 114.82 1r5a h THR 207 Ca -0.09 -0.19 -0.12 0.00 -0.55 0.00 0.00 66.41 65.45 1r5a h THR 207 Cb 0.71 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1r5a h THR 207 CO 0.15 0.10 -0.49 0.25 -0.25 0.00 0.00 175.52 175.29 1r5a h LEU 208 N 0.56 0.23 0.04 3.87 5.85 -1.29 -1.05 115.31 123.53 1r5a h LEU 208 Ca 0.64 -0.11 -0.27 0.00 0.84 0.00 0.00 57.88 58.97 1r5a h LEU 208 Cb 1.26 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.24 1r5a h LEU 208 CO -0.44 0.69 -1.17 0.00 -0.34 0.00 0.00 178.44 177.17 1r5a h ALA 209 N 1.32 0.12 -0.90 1.25 0.00 0.41 -2.88 119.26 118.58 1r5a h ALA 209 Ca 0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1r5a h ALA 209 Cb 0.93 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1r5a h ALA 209 CO 0.07 0.81 0.50 0.78 0.00 0.00 0.00 179.25 181.41 1r5a h GLY 210 N 0.92 1.34 2.00 0.00 0.00 0.22 0.30 103.07 107.84 1r5a h GLY 210 Ca -0.15 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1r5a h GLY 210 CO 0.21 0.58 -0.00 1.41 0.00 0.00 0.00 176.54 178.73 1r5a h LEU 211 N 1.26 0.00 0.02 3.11 3.38 -1.18 0.59 115.31 122.49 1r5a h LEU 211 Ca 0.32 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 1r5a h LEU 211 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1r5a h LEU 211 CO -0.05 0.00 -0.69 0.15 0.09 0.00 0.00 178.44 177.94 1r5a h PHE 212 N 0.00 0.07 -0.03 1.13 3.57 -0.87 -3.35 116.94 117.46 1r5a h PHE 212 Ca -0.00 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 1r5a h PHE 212 Cb 0.46 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1r5a h PHE 212 CO 0.00 1.27 -0.41 0.00 -2.23 0.00 0.00 178.31 176.94 1r5a h ARG 213 N -0.89 0.07 0.00 1.11 3.08 -0.36 -3.43 114.38 113.95 1r5a h ARG 213 Ca -0.18 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1r5a h ARG 213 Cb 1.23 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1r5a h ARG 213 CO -0.07 0.47 0.00 -1.13 -1.07 0.00 0.00 179.97 178.17 1r5a n SER 214 N -4.04 0.00 0.00 7.04 3.41 0.21 -5.07 113.62 115.16 1r5a n SER 214 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1r5a n SER 214 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1r5a n SER 214 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17