#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3a h GLU 14 N 0.00 0.84 -0.66 0.00 4.39 -2.05 -2.75 114.58 114.35 2r3a h GLU 14 Ca 0.00 -0.18 0.12 0.00 0.34 0.00 0.00 59.36 59.64 2r3a h GLU 14 Cb 0.00 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.44 2r3a h GLU 14 CO 0.00 0.76 0.22 -0.92 -1.16 0.00 0.00 179.01 177.91 2r3a h TYR 15 N 0.75 0.38 -0.42 4.33 3.20 -2.05 -1.46 116.97 121.69 2r3a h TYR 15 Ca 0.18 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2r3a h TYR 15 Cb 0.27 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2r3a h TYR 15 CO 0.02 0.05 -0.14 0.82 -1.64 0.00 0.00 178.16 177.27 2r3a h ILE 16 N 0.38 1.28 -0.21 1.81 5.03 -1.95 0.03 117.51 123.87 2r3a h ILE 16 Ca 0.35 -1.25 -0.02 0.00 -0.12 0.00 0.00 64.86 63.81 2r3a h ILE 16 Cb 0.49 1.20 -0.01 0.00 -3.03 0.00 0.00 36.82 35.48 2r3a h ILE 16 CO -0.37 0.42 0.05 0.58 -0.68 0.00 0.00 178.15 178.15 2r3a h VAL 17 N 0.66 1.21 -0.80 1.67 2.07 -1.40 -2.17 116.25 117.48 2r3a h VAL 17 Ca 0.10 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.02 2r3a h VAL 17 Cb 0.68 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 2r3a h VAL 17 CO 0.05 0.21 0.48 0.11 0.02 0.00 0.00 177.57 178.44 2r3a h LYS 18 N 0.15 0.86 -0.15 1.57 1.57 -1.08 -1.46 116.57 118.03 2r3a h LYS 18 Ca 0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2r3a h LYS 18 Cb 0.27 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2r3a h LYS 18 CO 0.00 0.57 0.09 -0.22 -0.57 0.00 0.00 179.45 179.32 2r3a h LYS 19 N 0.88 0.18 -0.63 3.15 1.63 -0.84 0.77 116.57 121.71 2r3a h LYS 19 Ca 0.35 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 2r3a h LYS 19 Cb 0.17 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2r3a h LYS 19 CO -0.17 0.12 0.41 0.00 -3.45 0.00 0.00 179.45 176.36 2r3a h ALA 20 N 1.07 0.80 -0.15 5.00 0.00 -0.90 -1.22 119.26 123.85 2r3a h ALA 20 Ca 0.06 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2r3a h ALA 20 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2r3a h ALA 20 CO -0.03 0.24 -0.62 0.87 0.00 0.00 0.00 179.25 179.71 2r3a h LYS 21 N 0.85 0.52 -0.47 0.00 1.57 -1.15 -3.09 116.57 114.80 2r3a h LYS 21 Ca 0.23 -0.36 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2r3a h LYS 21 Cb -0.09 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 2r3a h LYS 21 CO -0.05 0.97 0.18 0.37 -0.57 0.00 0.00 179.45 180.35 2r3a h GLN 22 N 0.38 0.34 -0.41 3.15 4.15 -0.39 -0.24 115.11 122.10 2r3a h GLN 22 Ca -0.01 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.46 2r3a h GLN 22 Cb 1.17 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 2r3a h GLN 22 CO 0.11 0.23 0.07 0.00 -1.93 0.00 0.00 178.83 177.31 2r3a h ARG 23 N 0.35 0.18 -0.12 1.69 3.08 -1.18 -0.21 114.38 118.18 2r3a h ARG 23 Ca 0.22 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2r3a h ARG 23 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2r3a h ARG 23 CO -0.22 0.12 0.06 0.82 -1.07 0.00 0.00 179.97 179.68 2r3a h ILE 24 N 0.19 1.12 -0.64 2.04 2.04 -1.38 -1.81 117.51 119.07 2r3a h ILE 24 Ca 0.20 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.79 2r3a h ILE 24 Cb 0.25 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2r3a h ILE 24 CO -0.27 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.29 2r3a h ALA 25 N 0.93 0.85 -0.45 1.87 0.00 -0.66 -0.80 119.26 121.00 2r3a h ALA 25 Ca 0.04 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2r3a h ALA 25 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2r3a h ALA 25 CO -0.01 -0.07 -0.24 -0.07 0.00 0.00 0.00 179.25 178.86 2r3a h LEU 26 N 0.55 0.99 -0.42 0.00 3.38 -0.96 -0.81 115.31 118.03 2r3a h LEU 26 Ca 0.31 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2r3a h LEU 26 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2r3a h LEU 26 CO -0.24 1.18 0.19 -0.61 0.09 0.00 0.00 178.44 179.05 2r3a h GLN 27 N 0.79 0.38 -0.33 1.13 5.75 -1.00 -0.11 115.11 121.73 2r3a h GLN 27 Ca 0.10 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 2r3a h GLN 27 Cb 0.82 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 2r3a h GLN 27 CO 0.07 0.25 -0.18 0.00 -2.65 0.00 0.00 178.83 176.32 2r3a h ARG 28 N 0.39 0.61 -0.42 1.69 3.08 -0.85 -1.36 114.38 117.52 2r3a h ARG 28 Ca 0.19 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2r3a h ARG 28 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2r3a h ARG 28 CO -0.15 0.75 -0.17 2.35 -1.07 0.00 0.00 179.97 181.69 2r3a h TRP 29 N 0.54 0.98 -0.56 3.04 7.01 -0.93 -1.53 115.95 124.50 2r3a h TRP 29 Ca 0.09 -0.23 0.03 0.00 2.11 0.00 0.00 58.89 60.89 2r3a h TRP 29 Cb 0.62 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 2r3a h TRP 29 CO 0.02 1.00 0.33 0.37 -2.79 0.00 0.00 178.44 177.37 2r3a h GLN 30 N 0.67 0.63 -0.54 2.65 4.15 -0.65 0.08 115.11 122.09 2r3a h GLN 30 Ca 0.10 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 2r3a h GLN 30 Cb 0.72 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2r3a h GLN 30 CO 0.05 0.41 0.18 -0.44 -1.93 0.00 0.00 178.83 177.11 2r3a h ASP 31 N 0.64 0.78 -0.14 -0.69 3.32 -1.14 -1.27 116.42 117.93 2r3a h ASP 31 Ca 0.23 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2r3a h ASP 31 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2r3a h ASP 31 CO -0.11 0.77 0.07 -0.08 -1.72 0.00 0.00 179.24 178.16 2r3a h GLU 32 N 0.75 0.19 -0.73 3.56 4.57 -0.98 -1.77 114.58 120.17 2r3a h GLU 32 Ca 0.18 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.48 2r3a h GLU 32 Cb 0.26 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.71 2r3a h GLU 32 CO -0.01 0.22 0.20 -0.07 -1.18 0.00 0.00 179.01 178.17 2r3a h LEU 33 N 0.11 0.06 -1.14 1.64 3.38 -0.84 -0.90 115.31 117.64 2r3a h LEU 33 Ca 0.05 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2r3a h LEU 33 Cb 0.09 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2r3a h LEU 33 CO -0.01 -0.01 -0.29 0.78 0.09 0.00 0.00 178.44 179.00 2r3a h ASN 34 N 0.30 0.00 -0.21 -0.43 2.35 -1.03 -0.82 115.58 115.75 2r3a h ASN 34 Ca 0.41 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.02 2r3a h ASN 34 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2r3a h ASN 34 CO -0.48 0.29 -0.39 0.03 -1.65 0.00 0.00 177.43 175.23 2r3a h ARG 35 N 0.00 0.63 -0.17 0.81 3.08 -0.38 -3.34 114.38 115.01 2r3a h ARG 35 Ca -0.00 -0.40 -0.15 0.00 0.07 0.00 0.00 59.98 59.49 2r3a h ARG 35 Cb 0.76 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2r3a h ARG 35 CO 0.04 1.02 -0.54 0.00 -1.07 0.00 0.00 179.97 179.42 2r3a h ARG 36 N 0.32 0.51 -6.98 0.04 2.47 -1.02 -3.45 114.38 106.26 2r3a h ARG 36 Ca 0.01 -0.31 -0.53 0.00 -1.26 0.00 0.00 59.98 57.89 2r3a h ARG 36 Cb 0.99 0.03 0.10 0.00 -1.65 0.00 0.00 29.97 29.44 2r3a h ARG 36 CO 0.09 0.91 0.61 -1.59 0.56 0.00 0.00 179.97 180.55 2r3a s LYS 37 N -4.00 3.71 0.00 0.04 -2.85 -0.33 -4.78 119.74 111.53 2r3a s LYS 37 Ca -0.07 2.16 0.05 0.00 -1.00 0.00 0.00 55.97 57.11 2r3a s LYS 37 Cb 0.12 -2.57 0.11 0.00 -2.06 0.00 0.00 37.83 33.42 2r3a s LYS 37 CO 0.83 -0.71 0.99 0.27 0.10 0.00 0.00 175.35 176.83 2r3a n ASN 38 N -0.28 2.15 -4.98 0.03 6.94 -1.26 -4.98 115.26 112.88 2r3a n ASN 38 Ca 0.06 -1.79 -0.18 0.00 -0.02 0.00 0.00 54.58 52.64 2r3a n ASN 38 Cb 0.44 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 2r3a n ASN 38 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2r3a s HIS 39 N -0.85 2.68 -0.00 -2.53 -3.43 -1.26 -5.05 115.29 104.85 2r3a s HIS 39 Ca 0.09 -0.45 -0.23 0.00 -0.80 0.00 0.00 55.06 53.67 2r3a s HIS 39 Cb 0.05 -2.31 -0.18 0.00 -1.43 0.00 0.00 32.58 28.70 2r3a s HIS 39 CO 0.07 -0.40 1.23 -0.22 -2.00 0.00 0.00 174.74 173.43 2r3a h LYS 40 N 0.71 0.22 -6.98 -0.38 3.64 -1.83 -3.45 116.57 108.50 2r3a h LYS 40 Ca -0.40 -0.14 -0.56 0.00 -1.27 0.00 0.00 60.65 58.28 2r3a h LYS 40 Cb 1.28 0.02 0.16 0.00 -0.41 0.00 0.00 32.23 33.28 2r3a h LYS 40 CO 0.48 0.73 0.31 0.41 -2.27 0.00 0.00 179.45 179.11 2r3a n GLY 41 N 0.45 0.08 3.86 5.01 0.00 -0.93 -4.96 105.19 108.70 2r3a n GLY 41 Ca -0.08 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2r3a n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r3a s MET 42 N -3.11 3.89 -0.19 1.61 -1.94 -1.26 -4.83 119.30 113.47 2r3a s MET 42 Ca 0.79 0.71 -0.04 0.00 -1.71 0.00 0.00 55.69 55.44 2r3a s MET 42 Cb -0.39 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 2r3a s MET 42 CO 0.44 -0.10 -0.02 0.42 -0.01 0.00 0.00 175.02 175.75 2r3a s ILE 43 N -2.41 3.84 0.23 2.53 1.01 -1.26 -1.49 121.20 123.64 2r3a s ILE 43 Ca 0.55 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.93 2r3a s ILE 43 Cb -0.10 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2r3a s ILE 43 CO 0.29 0.44 0.05 -0.36 0.00 0.00 0.00 174.94 175.36 2r3a s PHE 44 N 0.93 2.86 -0.04 3.97 0.08 0.16 -4.77 117.98 121.17 2r3a s PHE 44 Ca 0.01 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 56.93 2r3a s PHE 44 Cb -0.14 -1.32 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 2r3a s PHE 44 CO 0.02 0.56 -0.12 0.08 -0.10 0.00 0.00 175.22 175.65 2r3a s VAL 45 N -2.04 1.07 -0.09 -0.44 1.01 -1.26 -0.17 120.40 118.48 2r3a s VAL 45 Ca 0.30 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2r3a s VAL 45 Cb -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2r3a s VAL 45 CO 0.21 0.33 0.24 -1.83 0.00 0.00 0.00 175.10 174.05 2r3a s GLU 46 N 0.29 0.29 -0.32 2.72 -1.05 -0.07 -4.94 118.70 115.62 2r3a s GLU 46 Ca -0.07 0.33 -0.02 0.00 -0.15 0.00 0.00 54.97 55.06 2r3a s GLU 46 Cb -0.12 0.14 0.11 0.00 -0.44 0.00 0.00 34.13 33.83 2r3a s GLU 46 CO 0.02 -0.04 0.16 1.21 0.95 0.00 0.00 175.26 177.56 2r3a s ASN 47 N 0.10 3.41 -0.01 0.83 3.84 -1.26 -1.62 114.94 120.23 2r3a s ASN 47 Ca -0.00 -1.68 0.20 0.00 0.21 0.00 0.00 52.86 51.59 2r3a s ASN 47 Cb -0.02 -0.45 0.59 0.00 -0.55 0.00 0.00 41.25 40.83 2r3a s ASN 47 CO 0.00 -0.39 1.50 0.35 -2.79 0.00 0.00 177.10 175.77 2r3a n THR 48 N 4.73 0.98 -0.03 -5.21 -2.24 -1.26 -4.68 114.28 106.58 2r3a n THR 48 Ca 0.01 -0.91 -0.04 0.00 -2.27 0.00 0.00 64.05 60.84 2r3a n THR 48 Cb 0.40 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 2r3a n THR 48 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2r3a n VAL 49 N 1.39 0.33 -3.05 2.28 0.24 -1.26 -5.11 118.33 113.15 2r3a n VAL 49 Ca 0.22 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 2r3a n VAL 49 Cb 0.59 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 2r3a n VAL 49 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2r3a n ASP 50 N -2.58 0.00 -1.14 -1.34 5.68 -1.26 -5.07 116.55 110.84 2r3a n ASP 50 Ca -0.10 -0.33 0.10 0.00 -0.50 0.00 0.00 54.79 53.97 2r3a n ASP 50 Cb 0.62 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.85 2r3a n ASP 50 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2r3a n LEU 51 N 0.00 3.59 -4.70 -2.12 4.77 -1.26 -4.98 117.00 112.29 2r3a n LEU 51 Ca 0.00 -1.86 -0.42 0.00 -0.03 0.00 0.00 56.01 53.70 2r3a n LEU 51 Cb 0.00 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2r3a n LEU 51 CO 0.00 0.87 1.42 -0.70 -1.33 0.00 0.00 177.39 177.65 2r3a s GLU 52 N -1.10 4.15 0.00 3.23 2.56 -1.26 -4.94 118.70 121.33 2r3a s GLU 52 Ca 0.40 2.56 0.00 0.00 0.00 0.00 0.00 54.97 57.93 2r3a s GLU 52 Cb 0.22 -3.47 0.00 0.00 2.00 0.00 0.00 34.13 32.88 2r3a s GLU 52 CO 0.29 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 2r3a n GLY 53 N 4.13 1.03 3.72 -1.50 0.00 -1.26 -4.97 105.19 106.34 2r3a n GLY 53 Ca 0.17 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2r3a n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2r3a n PRO 54 N -0.98 1.99 -2.01 1.61 -0.02 -1.26 -4.94 135.00 129.39 2r3a n PRO 54 Ca 0.00 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 2r3a n PRO 54 Cb 0.00 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.01 2r3a n PRO 54 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2r3a s PRO 55 N -2.37 3.69 0.45 0.52 0.04 -1.26 -5.01 135.00 131.05 2r3a s PRO 55 Ca 0.62 2.12 -0.08 0.00 0.04 0.00 0.00 61.00 63.70 2r3a s PRO 55 Cb -0.48 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 2r3a s PRO 55 CO 0.57 -0.71 0.78 -1.54 0.04 0.00 0.00 177.00 176.14 2r3a s SER 56 N -0.90 6.39 -1.22 6.66 1.04 -1.26 -4.42 113.70 119.98 2r3a s SER 56 Ca 0.62 1.05 -0.07 0.00 0.48 0.00 0.00 55.95 58.03 2r3a s SER 56 Cb -0.37 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.46 2r3a s SER 56 CO 0.46 -0.50 1.07 -0.67 0.98 0.00 0.00 173.24 174.58 2r3a n ASP 57 N -1.78 -5.64 -3.93 7.02 2.03 -1.26 -5.01 116.55 107.98 2r3a n ASP 57 Ca 0.02 -0.50 -0.23 0.00 0.52 0.00 0.00 54.79 54.60 2r3a n ASP 57 Cb 0.54 -4.64 -0.17 0.00 -0.72 0.00 0.00 41.12 36.14 2r3a n ASP 57 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2r3a s PHE 58 N -3.29 1.13 -0.11 -0.67 5.36 -1.26 -4.58 117.98 114.56 2r3a s PHE 58 Ca 0.49 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.06 2r3a s PHE 58 Cb -0.21 -0.92 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 2r3a s PHE 58 CO 0.66 -0.29 -0.15 0.71 -1.46 0.00 0.00 175.22 174.70 2r3a s TYR 59 N 1.03 1.97 0.00 10.12 2.02 0.32 -5.03 117.35 127.79 2r3a s TYR 59 Ca -0.09 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.38 2r3a s TYR 59 Cb -0.14 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 2r3a s TYR 59 CO -0.00 -0.48 1.15 -0.47 -1.57 0.00 0.00 175.55 174.17 2r3a s TYR 60 N 1.01 3.41 0.08 2.71 5.04 -1.26 -2.28 117.35 126.06 2r3a s TYR 60 Ca -0.06 1.37 0.06 0.00 -2.44 0.00 0.00 57.07 56.00 2r3a s TYR 60 Cb -0.15 -3.35 -0.03 0.00 0.35 0.00 0.00 41.96 38.78 2r3a s TYR 60 CO -0.02 -0.98 -0.16 0.96 -1.34 0.00 0.00 175.55 174.01 2r3a s ILE 61 N 1.45 1.30 -0.29 3.14 -4.36 0.27 -4.90 121.20 117.82 2r3a s ILE 61 Ca 0.56 -1.38 0.22 0.00 -0.26 0.00 0.00 60.65 59.79 2r3a s ILE 61 Cb -0.26 -1.23 0.10 0.00 1.25 0.00 0.00 42.46 42.32 2r3a s ILE 61 CO 0.26 -0.17 1.21 0.78 0.24 0.00 0.00 174.94 177.26 2r3a h ASN 62 N 4.23 0.00 -5.28 4.36 2.35 -1.86 -3.31 115.58 116.06 2r3a h ASN 62 Ca -0.43 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.23 2r3a h ASN 62 Cb 1.19 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.44 2r3a h ASN 62 CO 0.40 0.02 -0.25 -1.83 -1.65 0.00 0.00 177.43 174.12 2r3a s GLU 63 N -3.30 1.33 0.17 0.81 1.03 -1.26 -5.00 118.70 112.49 2r3a s GLU 63 Ca 0.02 -1.24 -0.32 0.00 0.03 0.00 0.00 54.97 53.46 2r3a s GLU 63 Cb 0.08 0.41 -0.16 0.00 -0.80 0.00 0.00 34.13 33.66 2r3a s GLU 63 CO 0.75 -0.52 1.02 0.66 -1.33 0.00 0.00 175.26 175.85 2r3a n TYR 64 N -0.30 0.91 -3.75 4.83 4.01 -1.26 -4.64 117.16 116.96 2r3a n TYR 64 Ca -0.04 0.78 -0.37 0.00 -0.16 0.00 0.00 57.90 58.11 2r3a n TYR 64 Cb 0.63 -2.20 -0.11 0.00 -0.31 0.00 0.00 39.34 37.35 2r3a n TYR 64 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2r3a s LYS 65 N -0.60 2.15 0.39 -0.72 2.20 -0.64 -4.96 119.74 117.57 2r3a s LYS 65 Ca 0.72 -1.97 -0.25 0.00 -0.36 0.00 0.00 55.97 54.11 2r3a s LYS 65 Cb -0.90 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 31.70 2r3a s LYS 65 CO 0.54 -1.10 1.07 -1.25 -0.36 0.00 0.00 175.35 174.25 2r3a s PRO 66 N 0.90 4.19 0.87 4.03 0.04 -1.26 -1.48 135.00 142.30 2r3a s PRO 66 Ca 0.10 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2r3a s PRO 66 Cb -0.22 -2.62 0.12 0.00 0.04 0.00 0.00 34.50 31.81 2r3a s PRO 66 CO -0.04 -0.14 1.15 0.00 0.04 0.00 0.00 177.00 178.02 2r3a s ALA 67 N -1.57 1.65 0.23 8.56 0.00 -0.22 -4.84 121.76 125.57 2r3a s ALA 67 Ca 0.56 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 2r3a s ALA 67 Cb -0.24 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 2r3a s ALA 67 CO 0.30 -2.54 1.15 -2.30 0.00 0.00 0.00 175.76 172.37 2r3a n PRO 68 N -3.93 1.41 -0.28 0.00 -0.02 -1.26 -1.25 135.00 129.67 2r3a n PRO 68 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2r3a n PRO 68 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2r3a n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r3a n GLY 69 N 1.70 2.42 3.63 -1.23 0.00 -1.26 -5.01 105.19 105.44 2r3a n GLY 69 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2r3a n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3a s ILE 70 N -3.28 5.24 -0.20 -0.61 1.01 -0.38 -5.07 121.20 117.91 2r3a s ILE 70 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 2r3a s ILE 70 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2r3a s ILE 70 CO 0.00 0.23 0.06 -0.44 0.00 0.00 0.00 174.94 174.79 2r3a s SER 71 N 1.37 5.42 0.10 3.58 0.01 -1.26 -4.71 113.70 118.21 2r3a s SER 71 Ca 0.14 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2r3a s SER 71 Cb -0.15 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 2r3a s SER 71 CO 0.08 0.10 0.31 -0.76 0.41 0.00 0.00 173.24 173.39 2r3a s LEU 72 N 0.80 4.31 0.00 2.44 1.43 -1.26 -5.12 118.68 121.28 2r3a s LEU 72 Ca 0.03 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2r3a s LEU 72 Cb -0.14 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2r3a s LEU 72 CO 0.02 0.11 0.00 0.55 0.23 0.00 0.00 176.35 177.26 2r3a n VAL 73 N 0.26 0.00 -3.18 -1.59 3.14 -1.26 -5.07 118.33 110.63 2r3a n VAL 73 Ca -0.04 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.38 2r3a n VAL 73 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 2r3a n VAL 73 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2r3a s THR 77 N -0.73 -0.07 0.02 1.55 -1.32 -1.26 -5.01 115.64 108.82 2r3a s THR 77 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 2r3a s THR 77 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2r3a s THR 77 CO 0.00 0.00 -0.24 -0.36 -2.21 0.00 0.00 174.62 171.81 2r3a s PHE 78 N 2.28 2.40 0.26 9.09 0.08 -1.26 -4.95 117.98 125.88 2r3a s PHE 78 Ca -0.02 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2r3a s PHE 78 Cb -0.03 -1.45 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 2r3a s PHE 78 CO -0.14 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 2r3a n GLY 79 N 1.94 3.87 3.93 4.36 0.00 -1.25 -4.82 105.19 113.22 2r3a n GLY 79 Ca -0.17 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.31 2r3a n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3a n SER 81 N -3.08 1.44 -4.50 0.00 7.64 -1.26 -2.34 113.62 111.51 2r3a n SER 81 Ca 0.10 -1.79 -0.47 0.00 1.01 0.00 0.00 58.87 57.71 2r3a n SER 81 Cb 0.60 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 2r3a n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r3a n THR 83 N 0.36 0.43 -3.53 0.00 -2.24 -1.26 -4.43 114.28 103.61 2r3a n THR 83 Ca 0.15 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 2r3a n THR 83 Cb 0.27 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 2r3a n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r3a s ASP 84 N -4.86 3.10 0.54 3.42 -1.08 -1.26 -5.00 116.67 111.53 2r3a s ASP 84 Ca 0.00 -2.35 0.30 0.00 -0.52 0.00 0.00 52.55 49.97 2r3a s ASP 84 Cb 0.11 -0.58 1.56 0.00 -1.46 0.00 0.00 42.92 42.55 2r3a s ASP 84 CO 0.80 -0.29 2.10 0.00 0.52 0.00 0.00 175.17 178.30 2r3a h PHE 86 N 0.00 0.36 0.00 0.00 3.57 -1.97 -3.36 116.94 115.54 2r3a h PHE 86 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2r3a h PHE 86 Cb 0.30 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2r3a h PHE 86 CO 0.00 0.51 -0.46 1.19 -2.23 0.00 0.00 178.31 177.32 2r3a n PHE 87 N -4.20 0.00 -2.77 0.41 3.72 -0.95 -5.04 117.46 108.63 2r3a n PHE 87 Ca -0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 2r3a n PHE 87 Cb 0.33 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.89 2r3a n PHE 87 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2r3a s GLN 88 N -1.52 2.51 -0.22 -1.08 -0.21 -0.22 -5.05 119.66 113.87 2r3a s GLN 88 Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 2r3a s GLN 88 Cb 0.01 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 2r3a s GLN 88 CO 0.06 -0.68 1.25 0.15 -2.12 0.00 0.00 175.29 173.95 2r3a s LYS 89 N -4.68 4.12 0.00 2.91 1.02 -1.26 -4.87 119.74 116.98 2r3a s LYS 89 Ca 0.58 1.47 0.00 0.00 0.02 0.00 0.00 55.97 58.04 2r3a s LYS 89 Cb -0.09 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2r3a s LYS 89 CO 0.38 -0.85 0.00 0.00 -0.92 0.00 0.00 175.35 173.96 2r3a h PRO 92 N 0.16 0.72 -0.56 0.00 0.11 -1.84 -1.94 132.00 128.65 2r3a h PRO 92 Ca 0.28 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.46 2r3a h PRO 92 Cb 0.43 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.29 2r3a h PRO 92 CO -0.43 0.48 0.04 0.00 -0.21 0.00 0.00 178.00 177.87 2r3a h ALA 93 N 1.22 0.58 -0.44 -0.75 0.00 -1.29 -0.66 119.26 117.92 2r3a h ALA 93 Ca 0.21 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2r3a h ALA 93 Cb -0.06 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2r3a h ALA 93 CO -0.06 -0.37 0.29 1.49 0.00 0.00 0.00 179.25 180.61 2r3a h GLU 94 N 0.16 0.58 -0.00 0.00 4.57 -0.93 -0.23 114.58 118.72 2r3a h GLU 94 Ca 0.29 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2r3a h GLU 94 Cb 0.45 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2r3a h GLU 94 CO -0.45 0.38 -0.00 0.00 -1.18 0.00 0.00 179.01 177.76 2r3a n ALA 95 N -2.47 2.66 -0.84 2.92 0.00 -0.51 -4.92 120.51 117.34 2r3a n ALA 95 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2r3a n ALA 95 Cb 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2r3a n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r3a n GLY 96 N 1.06 0.50 3.48 0.00 0.00 -0.10 -5.06 105.19 105.07 2r3a n GLY 96 Ca 0.22 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 2r3a n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r3a s VAL 97 N -2.00 1.27 0.47 1.61 -7.23 -0.37 -4.99 120.40 109.16 2r3a s VAL 97 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2r3a s VAL 97 Cb 0.00 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 34.06 2r3a s VAL 97 CO 0.00 0.00 0.94 -0.76 -0.31 0.00 0.00 175.10 174.97 2r3a s LEU 98 N -3.53 3.75 0.21 1.32 1.43 -1.26 -2.88 118.68 117.72 2r3a s LEU 98 Ca 0.35 1.54 -0.32 0.00 -1.03 0.00 0.00 54.13 54.67 2r3a s LEU 98 Cb 0.09 -4.44 -0.14 0.00 0.03 0.00 0.00 46.19 41.72 2r3a s LEU 98 CO 0.16 -0.49 1.34 -0.11 0.23 0.00 0.00 176.35 177.48 2r3a n LEU 99 N -1.26 2.60 0.14 1.79 7.94 -1.26 -4.86 117.00 122.10 2r3a n LEU 99 Ca 0.06 1.14 0.01 0.00 -1.11 0.00 0.00 56.01 56.10 2r3a n LEU 99 Cb 0.54 -1.36 0.18 0.00 0.53 0.00 0.00 43.42 43.31 2r3a n LEU 99 CO 0.44 -0.73 0.51 0.00 -1.11 0.00 0.00 177.39 176.50 2r3a h ALA 100 N 4.06 0.89 -3.90 1.96 0.00 -1.92 -3.44 119.26 116.90 2r3a h ALA 100 Ca -0.45 -0.52 -0.68 0.00 0.00 0.00 0.00 54.91 53.26 2r3a h ALA 100 Cb 1.30 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 2r3a h ALA 100 CO 0.75 0.72 -0.80 0.71 0.00 0.00 0.00 179.25 180.63 2r3a s TYR 101 N -3.46 2.57 0.72 0.00 2.02 -1.26 0.50 117.35 118.44 2r3a s TYR 101 Ca -0.00 -0.25 -0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2r3a s TYR 101 Cb 0.11 -1.45 0.16 0.00 -0.40 0.00 0.00 41.96 40.38 2r3a s TYR 101 CO 0.74 0.28 0.98 0.27 -1.57 0.00 0.00 175.55 176.26 2r3a n ASN 102 N 1.40 0.57 0.25 2.29 0.23 -0.41 -4.92 115.26 114.67 2r3a n ASN 102 Ca -0.16 -1.66 0.17 0.00 -0.53 0.00 0.00 54.58 52.40 2r3a n ASN 102 Cb 0.52 -0.71 0.72 0.00 -2.08 0.00 0.00 39.78 38.24 2r3a n ASN 102 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2r3a h LYS 103 N 0.00 0.00 -0.77 -3.83 5.09 -1.97 -2.72 116.57 112.37 2r3a h LYS 103 Ca -0.32 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.25 2r3a h LYS 103 Cb 1.00 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 33.23 2r3a h LYS 103 CO 0.27 0.00 0.22 0.09 -2.09 0.00 0.00 179.45 177.94 2r3a n ASN 104 N -2.88 4.62 -0.69 7.07 5.03 -1.26 -4.93 115.26 122.22 2r3a n ASN 104 Ca 0.00 -3.04 -0.09 0.00 0.87 0.00 0.00 54.58 52.32 2r3a n ASN 104 Cb 0.24 -0.72 -0.04 0.00 -1.02 0.00 0.00 39.78 38.25 2r3a n ASN 104 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2r3a n GLN 105 N -0.01 -1.20 -3.80 3.52 6.02 -1.03 -5.00 117.38 115.89 2r3a n GLN 105 Ca 0.35 0.76 -0.36 0.00 -0.01 0.00 0.00 57.00 57.73 2r3a n GLN 105 Cb 1.26 -4.87 -0.06 0.00 1.02 0.00 0.00 30.24 27.59 2r3a n GLN 105 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2r3a s GLN 106 N -2.53 3.55 0.14 -1.09 -0.21 -1.26 -4.59 119.66 113.66 2r3a s GLN 106 Ca 0.00 -0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 2r3a s GLN 106 Cb 0.00 -3.16 -0.07 0.00 1.00 0.00 0.00 33.01 30.78 2r3a s GLN 106 CO 0.00 0.72 1.24 -1.50 -2.12 0.00 0.00 175.29 173.63 2r3a s ILE 107 N -1.14 3.64 0.00 1.08 2.07 -0.05 -1.29 121.20 125.52 2r3a s ILE 107 Ca 0.21 1.27 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 2r3a s ILE 107 Cb -0.13 -3.82 0.00 0.00 0.13 0.00 0.00 42.46 38.64 2r3a s ILE 107 CO 0.10 0.15 0.56 2.29 -1.91 0.00 0.00 174.94 176.13 2r3a n LYS 108 N 3.19 0.42 -3.95 3.50 2.85 0.18 -4.87 118.16 119.49 2r3a n LYS 108 Ca 0.07 -0.70 -0.31 0.00 -1.05 0.00 0.00 58.31 56.32 2r3a n LYS 108 Cb 0.45 -0.86 -0.04 0.00 -0.65 0.00 0.00 35.03 33.92 2r3a n LYS 108 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2r3a s ILE 109 N -0.29 5.22 0.58 0.58 -4.36 -1.23 -5.04 121.20 116.66 2r3a s ILE 109 Ca 0.00 -0.48 -0.16 0.00 -0.26 0.00 0.00 60.65 59.75 2r3a s ILE 109 Cb 0.00 -3.55 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 2r3a s ILE 109 CO 0.00 0.12 1.04 -2.16 0.24 0.00 0.00 174.94 174.18 2r3a s PRO 110 N -2.53 3.48 0.48 0.37 0.04 -1.26 -4.93 135.00 130.65 2r3a s PRO 110 Ca 0.34 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 2r3a s PRO 110 Cb -0.13 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 2r3a s PRO 110 CO 0.27 -0.67 0.38 -2.30 0.04 0.00 0.00 177.00 174.71 2r3a n PRO 111 N -1.95 0.40 0.00 0.56 -0.02 -1.26 -2.17 135.00 130.56 2r3a n PRO 111 Ca 0.08 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2r3a n PRO 111 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2r3a n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r3a n GLY 112 N 1.97 2.14 3.79 -1.23 0.00 -1.26 -5.05 105.19 105.54 2r3a n GLY 112 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2r3a n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r3a s THR 113 N -2.37 5.00 0.40 2.61 2.01 -0.92 -5.02 115.64 117.34 2r3a s THR 113 Ca 0.00 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.81 2r3a s THR 113 Cb 0.00 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 2r3a s THR 113 CO 0.00 0.48 0.89 -2.16 -0.69 0.00 0.00 174.62 173.14 2r3a s PRO 114 N -0.45 4.18 -0.27 4.92 0.04 -1.26 -4.51 135.00 137.65 2r3a s PRO 114 Ca 0.26 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 2r3a s PRO 114 Cb -0.17 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2r3a s PRO 114 CO 0.14 0.03 0.33 0.42 0.04 0.00 0.00 177.00 177.96 2r3a s ILE 115 N -2.12 5.21 -0.42 0.56 1.01 0.18 -4.92 121.20 120.70 2r3a s ILE 115 Ca 0.60 0.49 -0.05 0.00 0.00 0.00 0.00 60.65 61.69 2r3a s ILE 115 Cb -0.10 -3.66 0.11 0.00 0.01 0.00 0.00 42.46 38.82 2r3a s ILE 115 CO 0.14 0.19 0.23 -0.31 0.00 0.00 0.00 174.94 175.19 2r3a s TYR 116 N 1.94 3.51 0.56 3.97 2.02 -1.26 -0.49 117.35 127.60 2r3a s TYR 116 Ca 0.14 -2.16 -0.05 0.00 -0.37 0.00 0.00 57.07 54.63 2r3a s TYR 116 Cb -0.16 -3.21 0.01 0.00 -0.40 0.00 0.00 41.96 38.20 2r3a s TYR 116 CO 0.10 -0.96 0.86 -1.21 -1.57 0.00 0.00 175.55 172.77 2r3a s GLU 117 N 1.23 2.95 0.74 -0.62 2.02 -0.49 -4.04 118.70 120.50 2r3a s GLU 117 Ca 0.06 -0.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.85 2r3a s GLU 117 Cb -0.23 -2.32 0.04 0.00 0.10 0.00 0.00 34.13 31.71 2r3a s GLU 117 CO -0.03 -0.62 1.08 0.00 0.02 0.00 0.00 175.26 175.72 2r3a n ASN 119 N -3.35 0.12 0.24 0.00 0.23 -1.26 -4.85 115.26 106.39 2r3a n ASN 119 Ca 0.09 -1.68 0.16 0.00 -0.53 0.00 0.00 54.58 52.62 2r3a n ASN 119 Cb 0.53 0.47 0.79 0.00 -2.08 0.00 0.00 39.78 39.49 2r3a n ASN 119 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2r3a h SER 120 N 0.60 0.00 0.42 0.53 4.64 -1.96 -2.13 113.55 115.65 2r3a h SER 120 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2r3a h SER 120 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2r3a h SER 120 CO 0.12 0.00 -0.95 0.54 -0.87 0.00 0.00 176.83 175.67 2r3a n ARG 121 N -2.70 0.23 -1.95 4.77 3.00 -1.26 -4.94 116.66 113.81 2r3a n ARG 121 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.51 2r3a n ARG 121 Cb 0.15 -1.58 0.02 0.00 0.00 0.00 0.00 32.46 31.05 2r3a n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2r3a h GLN 123 N 0.28 0.00 -7.14 0.00 1.08 -1.78 -3.47 115.11 104.09 2r3a h GLN 123 Ca -0.47 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.22 2r3a h GLN 123 Cb 1.23 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.75 2r3a h GLN 123 CO 0.56 0.37 0.41 0.00 -0.95 0.00 0.00 178.83 179.22 2r3a n GLY 125 N -0.07 0.30 0.38 0.00 0.00 -1.26 -4.96 105.19 99.58 2r3a n GLY 125 Ca 0.11 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.34 2r3a n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r3a h PRO 126 N 0.00 0.49 -0.59 1.61 0.13 -1.99 -2.29 132.00 129.36 2r3a h PRO 126 Ca -0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2r3a h PRO 126 Cb 0.65 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2r3a h PRO 126 CO 0.19 0.32 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 2r3a n ASP 127 N -4.51 2.49 -4.66 1.44 8.00 -1.26 -4.79 116.55 113.26 2r3a n ASP 127 Ca 0.16 -2.22 -0.47 0.00 0.71 0.00 0.00 54.79 52.96 2r3a n ASP 127 Cb 0.52 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2r3a n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r3a n PRO 129 N 3.37 0.04 -1.05 0.00 -0.04 -1.26 -1.50 135.00 134.56 2r3a n PRO 129 Ca 0.17 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2r3a n PRO 129 Cb 0.28 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.51 2r3a n PRO 129 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2r3a n ASN 130 N -1.44 4.54 -3.67 3.54 4.05 -1.26 -4.72 115.26 116.30 2r3a n ASN 130 Ca 0.03 -3.27 -0.29 0.00 0.45 0.00 0.00 54.58 51.51 2r3a n ASN 130 Cb 0.11 -0.76 -0.12 0.00 1.23 0.00 0.00 39.78 40.23 2r3a n ASN 130 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2r3a s ARG 131 N -2.97 1.32 0.05 1.20 0.52 -0.57 -2.07 118.95 116.44 2r3a s ARG 131 Ca 0.54 -2.12 -0.02 0.00 -0.52 0.00 0.00 55.73 53.60 2r3a s ARG 131 Cb 0.44 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 2r3a s ARG 131 CO 0.13 -1.21 -0.05 -0.89 0.02 0.00 0.00 175.30 173.30 2r3a n ILE 132 N 3.31 1.17 -0.21 1.52 2.08 -1.26 -4.47 119.36 121.50 2r3a n ILE 132 Ca 0.13 0.33 -0.02 0.00 0.56 0.00 0.00 62.75 63.76 2r3a n ILE 132 Cb 0.37 -1.68 0.09 0.00 -0.75 0.00 0.00 39.64 37.67 2r3a n ILE 132 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2r3a h VAL 133 N -0.14 0.92 0.00 1.39 2.07 -1.93 -2.05 116.25 116.51 2r3a h VAL 133 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2r3a h VAL 133 Cb 0.23 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2r3a h VAL 133 CO -0.01 0.11 -0.03 0.06 0.02 0.00 0.00 177.57 177.72 2r3a h GLN 134 N 0.59 0.00 0.00 1.57 3.07 -1.96 -1.34 115.11 117.04 2r3a h GLN 134 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 2r3a h GLN 134 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 2r3a h GLN 134 CO -0.21 0.03 0.00 1.63 0.09 0.00 0.00 178.83 180.38 2r3a n LYS 135 N -3.34 0.16 0.00 0.06 5.02 -0.77 -5.02 118.16 114.27 2r3a n LYS 135 Ca -0.02 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2r3a n LYS 135 Cb 0.16 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2r3a n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r3a n GLY 136 N 0.23 -1.39 3.69 0.72 0.00 -0.51 -4.77 105.19 103.16 2r3a n GLY 136 Ca 0.03 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2r3a n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r3a s THR 137 N -1.89 2.91 -0.86 2.61 2.01 -1.26 -4.86 115.64 114.29 2r3a s THR 137 Ca 0.00 0.39 0.23 0.00 0.31 0.00 0.00 61.69 62.62 2r3a s THR 137 Cb 0.00 -3.25 -0.13 0.00 0.01 0.00 0.00 72.50 69.13 2r3a s THR 137 CO 0.00 0.00 1.08 0.00 -0.69 0.00 0.00 174.62 175.01 2r3a n GLN 138 N 5.51 0.10 -3.83 4.92 1.13 -1.26 -2.20 117.38 121.75 2r3a n GLN 138 Ca 0.16 -0.01 -0.37 0.00 -1.94 0.00 0.00 57.00 54.84 2r3a n GLN 138 Cb 0.40 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 2r3a n GLN 138 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2r3a s TYR 139 N -3.07 3.59 0.14 1.08 2.02 -1.26 -3.85 117.35 116.00 2r3a s TYR 139 Ca 0.07 0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.02 2r3a s TYR 139 Cb 0.16 -2.00 -0.07 0.00 -0.40 0.00 0.00 41.96 39.65 2r3a s TYR 139 CO 0.80 0.68 1.21 -1.12 -1.57 0.00 0.00 175.55 175.55 2r3a s SER 140 N -0.88 7.06 0.13 2.29 0.01 -1.26 -4.35 113.70 116.71 2r3a s SER 140 Ca 0.15 2.17 0.05 0.00 1.31 0.00 0.00 55.95 59.63 2r3a s SER 140 Cb -0.12 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2r3a s SER 140 CO 0.04 -0.42 -0.11 -0.76 0.41 0.00 0.00 173.24 172.40 2r3a s LEU 141 N 0.27 2.48 -0.07 2.44 1.43 -0.56 -1.88 118.68 122.79 2r3a s LEU 141 Ca 0.56 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2r3a s LEU 141 Cb -0.32 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.53 2r3a s LEU 141 CO 0.34 -0.28 -0.08 0.00 0.23 0.00 0.00 176.35 176.57 2r3a s ILE 143 N 1.17 4.68 0.13 0.00 1.01 0.76 -0.99 121.20 127.95 2r3a s ILE 143 Ca -0.06 1.33 0.05 0.00 0.00 0.00 0.00 60.65 61.97 2r3a s ILE 143 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2r3a s ILE 143 CO -0.02 -0.37 -0.12 0.72 0.00 0.00 0.00 174.94 175.15 2r3a s PHE 144 N 3.24 1.32 -0.21 3.97 -0.12 -0.31 -0.89 117.98 124.98 2r3a s PHE 144 Ca 0.37 -0.65 -0.24 0.00 -0.05 0.00 0.00 56.93 56.37 2r3a s PHE 144 Cb -0.13 -0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 41.57 2r3a s PHE 144 CO 0.14 0.12 0.77 0.50 -0.05 0.00 0.00 175.22 176.70 2r3a s ARG 145 N -3.15 4.21 0.78 1.99 6.06 -0.64 -0.74 118.95 127.46 2r3a s ARG 145 Ca 0.12 0.86 -0.12 0.00 -2.50 0.00 0.00 55.73 54.09 2r3a s ARG 145 Cb -0.02 -3.61 0.07 0.00 0.06 0.00 0.00 34.95 31.45 2r3a s ARG 145 CO 0.02 -0.40 1.14 0.95 -2.50 0.00 0.00 175.30 174.51 2r3a s THR 146 N 2.43 2.70 -0.89 4.11 -4.23 0.58 -4.73 115.64 115.60 2r3a s THR 146 Ca 0.34 0.27 0.21 0.00 -1.18 0.00 0.00 61.69 61.33 2r3a s THR 146 Cb -0.16 -2.65 -0.23 0.00 1.34 0.00 0.00 72.50 70.80 2r3a s THR 146 CO 0.09 -0.26 0.84 -1.54 -0.54 0.00 0.00 174.62 173.22 2r3a n SER 147 N -3.34 0.90 -1.46 3.99 3.41 -1.26 -4.43 113.62 111.43 2r3a n SER 147 Ca 0.11 -0.90 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 2r3a n SER 147 Cb 0.52 1.08 0.10 0.00 -0.26 0.00 0.00 64.21 65.65 2r3a n SER 147 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2r3a n ASN 148 N -1.55 3.20 0.00 4.04 6.94 -1.26 -4.96 115.26 121.66 2r3a n ASN 148 Ca 0.03 -3.62 0.00 0.00 -0.02 0.00 0.00 54.58 50.97 2r3a n ASN 148 Cb 0.34 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 2r3a n ASN 148 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2r3a n GLY 149 N -0.81 0.57 1.59 4.83 0.00 -1.26 -4.96 105.19 105.16 2r3a n GLY 149 Ca 0.29 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.69 2r3a n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r3a n ARG 150 N -2.70 3.94 0.00 1.61 1.74 -1.26 -5.07 116.66 114.92 2r3a n ARG 150 Ca 0.00 -2.93 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 2r3a n ARG 150 Cb 0.00 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2r3a n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r3a n GLY 151 N 0.91 0.88 3.77 -0.13 0.00 -1.26 -4.68 105.19 104.68 2r3a n GLY 151 Ca 0.26 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2r3a n GLY 151 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2r3a s TRP 152 N 0.00 2.96 0.23 1.61 0.52 -1.26 -0.31 118.94 122.69 2r3a s TRP 152 Ca 0.00 1.56 0.04 0.00 0.02 0.00 0.00 56.10 57.72 2r3a s TRP 152 Cb 0.00 -3.33 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 2r3a s TRP 152 CO 0.00 -1.33 0.16 0.41 0.02 0.00 0.00 176.95 176.21 2r3a n GLY 153 N 0.42 3.38 3.00 0.98 0.00 0.08 -4.74 105.19 108.31 2r3a n GLY 153 Ca 0.07 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 2r3a n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r3a s VAL 154 N -2.77 0.99 0.22 1.61 1.01 -1.25 -1.16 120.40 119.05 2r3a s VAL 154 Ca 0.22 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 61.91 2r3a s VAL 154 Cb 0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2r3a s VAL 154 CO 0.16 0.32 -0.23 -1.59 0.00 0.00 0.00 175.10 173.76 2r3a s LYS 155 N 0.62 1.56 0.16 2.72 -2.85 -0.17 -0.01 119.74 121.77 2r3a s LYS 155 Ca -0.12 -1.60 -0.21 0.00 -1.00 0.00 0.00 55.97 53.04 2r3a s LYS 155 Cb -0.14 -1.80 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 2r3a s LYS 155 CO 0.03 0.37 0.68 -0.08 0.10 0.00 0.00 175.35 176.45 2r3a s THR 156 N -1.95 4.58 -0.99 3.79 -1.32 -0.69 -0.65 115.64 118.41 2r3a s THR 156 Ca 0.23 1.36 0.26 0.00 -1.21 0.00 0.00 61.69 62.33 2r3a s THR 156 Cb -0.07 -3.94 0.04 0.00 -1.51 0.00 0.00 72.50 67.01 2r3a s THR 156 CO 0.11 0.41 1.49 0.18 -2.21 0.00 0.00 174.62 174.59 2r3a n LEU 157 N 1.28 0.43 -4.29 9.08 4.77 -0.79 0.08 117.00 127.56 2r3a n LEU 157 Ca -0.06 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 2r3a n LEU 157 Cb 0.50 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2r3a n LEU 157 CO 0.43 0.10 -0.37 0.68 -1.33 0.00 0.00 177.39 176.91 2r3a s VAL 158 N -3.00 1.12 0.34 4.08 -7.23 -1.26 -4.33 120.40 110.12 2r3a s VAL 158 Ca 0.11 -2.05 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 2r3a s VAL 158 Cb 0.18 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.93 2r3a s VAL 158 CO 0.68 -0.54 1.24 -0.75 -0.31 0.00 0.00 175.10 175.42 2r3a s LYS 159 N -3.80 4.35 -0.16 4.82 2.20 -1.26 -3.78 119.74 122.11 2r3a s LYS 159 Ca 0.22 2.07 0.02 0.00 -0.36 0.00 0.00 55.97 57.92 2r3a s LYS 159 Cb 0.04 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2r3a s LYS 159 CO 0.05 -0.14 -0.20 0.42 -0.36 0.00 0.00 175.35 175.11 2r3a s ILE 160 N -1.19 2.00 0.76 5.43 1.01 0.35 -4.91 121.20 124.66 2r3a s ILE 160 Ca 0.50 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 2r3a s ILE 160 Cb -0.37 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.35 2r3a s ILE 160 CO 0.48 0.53 1.08 0.29 0.00 0.00 0.00 174.94 177.32 2r3a n LYS 161 N 4.39 0.40 -1.62 2.79 4.01 -1.26 -1.02 118.16 125.85 2r3a n LYS 161 Ca -0.20 0.20 -0.36 0.00 -0.51 0.00 0.00 58.31 57.43 2r3a n LYS 161 Cb 0.51 -2.33 0.08 0.00 -0.51 0.00 0.00 35.03 32.77 2r3a n LYS 161 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2r3a n ARG 162 N -2.46 0.95 -3.03 1.97 1.85 -1.25 -3.33 116.66 111.36 2r3a n ARG 162 Ca 0.13 0.38 -0.21 0.00 -1.00 0.00 0.00 57.85 57.15 2r3a n ARG 162 Cb 0.50 -2.50 0.04 0.00 -1.05 0.00 0.00 32.46 29.45 2r3a n ARG 162 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2r3a n MET 163 N -2.08 -4.95 -4.23 2.89 2.81 -0.87 -4.86 117.12 105.84 2r3a n MET 163 Ca 0.15 0.86 -0.29 0.00 -1.81 0.00 0.00 57.70 56.62 2r3a n MET 163 Cb 0.48 -5.64 -0.09 0.00 -0.71 0.00 0.00 33.22 27.26 2r3a n MET 163 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2r3a s SER 164 N -2.78 4.44 0.11 7.83 0.01 -1.21 -0.87 113.70 121.23 2r3a s SER 164 Ca 0.31 -0.41 -0.31 0.00 1.31 0.00 0.00 55.95 56.85 2r3a s SER 164 Cb -0.14 -0.85 -0.08 0.00 0.21 0.00 0.00 66.02 65.16 2r3a s SER 164 CO 0.39 0.15 1.47 0.12 0.41 0.00 0.00 173.24 175.79 2r3a s PHE 165 N -1.37 3.04 -0.09 2.43 5.36 -1.26 -0.47 117.98 125.62 2r3a s PHE 165 Ca 0.23 0.76 -0.10 0.00 -0.96 0.00 0.00 56.93 56.87 2r3a s PHE 165 Cb -0.10 -3.78 -0.05 0.00 -0.34 0.00 0.00 43.02 38.75 2r3a s PHE 165 CO 0.15 -2.87 -0.20 0.28 -1.46 0.00 0.00 175.22 171.12 2r3a n VAL 166 N 4.14 1.24 -3.55 3.12 0.31 0.24 -4.81 118.33 119.02 2r3a n VAL 166 Ca 0.13 0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 2r3a n VAL 166 Cb 0.41 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 2r3a n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2r3a s MET 167 N -2.46 1.17 0.37 5.55 0.23 -1.15 -4.44 119.30 118.58 2r3a s MET 167 Ca -0.19 -0.50 -0.03 0.00 -1.03 0.00 0.00 55.69 53.94 2r3a s MET 167 Cb 0.04 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.80 2r3a s MET 167 CO 0.26 -0.52 0.62 -1.21 -2.03 0.00 0.00 175.02 172.14 2r3a s GLU 168 N -3.49 3.55 -0.20 3.16 2.02 -1.26 -0.35 118.70 122.14 2r3a s GLU 168 Ca 0.05 -0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.80 2r3a s GLU 168 Cb -0.02 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 2r3a s GLU 168 CO -0.07 0.06 0.51 -0.47 0.02 0.00 0.00 175.26 175.31 2r3a s TYR 169 N -2.37 3.37 0.15 1.61 5.04 -0.37 -4.53 117.35 120.24 2r3a s TYR 169 Ca 0.44 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.84 2r3a s TYR 169 Cb -0.10 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.50 2r3a s TYR 169 CO 0.37 -0.10 -0.02 0.14 -1.34 0.00 0.00 175.55 174.59 2r3a s VAL 170 N 1.64 0.67 -1.83 3.14 -7.23 -1.26 -4.31 120.40 111.21 2r3a s VAL 170 Ca 0.24 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2r3a s VAL 170 Cb -0.15 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.82 2r3a s VAL 170 CO 0.09 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 2r3a n GLY 171 N -0.17 -1.20 3.77 2.32 0.00 -1.26 -4.32 105.19 104.33 2r3a n GLY 171 Ca -0.08 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 2r3a n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3a s GLU 172 N -0.73 4.08 -0.35 1.61 2.02 -0.08 -1.62 118.70 123.63 2r3a s GLU 172 Ca 0.00 2.16 -0.11 0.00 0.02 0.00 0.00 54.97 57.05 2r3a s GLU 172 Cb 0.00 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.40 2r3a s GLU 172 CO 0.00 -0.40 0.19 0.08 0.02 0.00 0.00 175.26 175.15 2r3a s VAL 173 N -1.23 4.67 0.34 2.63 1.01 -0.55 -0.40 120.40 126.88 2r3a s VAL 173 Ca 0.55 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2r3a s VAL 173 Cb -0.38 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2r3a s VAL 173 CO 0.50 -0.10 0.05 0.27 0.00 0.00 0.00 175.10 175.82 2r3a s ILE 174 N 1.60 1.37 0.73 2.22 -4.36 -0.23 -1.05 121.20 121.48 2r3a s ILE 174 Ca 0.04 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.31 2r3a s ILE 174 Cb -0.18 -2.84 0.03 0.00 1.25 0.00 0.00 42.46 40.72 2r3a s ILE 174 CO 0.07 0.00 1.08 0.42 0.24 0.00 0.00 174.94 176.75 2r3a s THR 175 N -3.17 3.58 0.49 8.37 -4.23 -1.26 -1.13 115.64 118.29 2r3a s THR 175 Ca 0.36 0.54 0.16 0.00 -1.18 0.00 0.00 61.69 61.57 2r3a s THR 175 Cb 0.09 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 71.05 2r3a s THR 175 CO 0.16 -0.65 2.08 -1.28 -0.54 0.00 0.00 174.62 174.39 2r3a h SER 176 N -0.86 0.00 -0.00 3.99 0.87 0.53 -2.23 113.55 115.86 2r3a h SER 176 Ca -0.44 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2r3a h SER 176 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2r3a h SER 176 CO 0.54 0.09 0.00 -0.08 -0.53 0.00 0.00 176.83 176.84 2r3a h GLU 177 N 0.00 0.00 -0.82 2.24 4.81 -1.90 -1.60 114.58 117.31 2r3a h GLU 177 Ca -0.00 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2r3a h GLU 177 Cb 0.16 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 2r3a h GLU 177 CO 0.01 0.20 0.43 0.93 -0.73 0.00 0.00 179.01 179.85 2r3a h GLU 178 N -0.20 0.65 -0.28 1.92 5.08 -1.89 -1.99 114.58 117.87 2r3a h GLU 178 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2r3a h GLU 178 Cb 0.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2r3a h GLU 178 CO -0.00 0.43 0.07 0.00 -1.00 0.00 0.00 179.01 178.51 2r3a h ALA 179 N 1.50 0.37 -0.38 3.43 0.00 -1.27 0.69 119.26 123.61 2r3a h ALA 179 Ca 0.42 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2r3a h ALA 179 Cb 0.52 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2r3a h ALA 179 CO -0.31 0.03 -0.14 1.49 0.00 0.00 0.00 179.25 180.32 2r3a h GLU 180 N 0.29 -0.06 -0.39 0.00 4.22 -0.94 0.39 114.58 118.09 2r3a h GLU 180 Ca 0.09 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.45 2r3a h GLU 180 Cb 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2r3a h GLU 180 CO 0.00 -0.04 -0.06 -0.09 -2.18 0.00 0.00 179.01 176.64 2r3a h ARG 181 N -0.06 0.73 -0.48 1.92 9.65 -1.15 -1.97 114.38 123.02 2r3a h ARG 181 Ca 0.19 -0.26 0.05 0.00 -1.10 0.00 0.00 59.98 58.85 2r3a h ARG 181 Cb 0.35 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 2r3a h ARG 181 CO -0.42 0.86 0.22 0.00 2.80 0.00 0.00 179.97 183.42 2r3a h ARG 182 N 0.54 0.43 -0.70 0.20 3.08 -0.64 -2.96 114.38 114.33 2r3a h ARG 182 Ca 0.10 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.25 2r3a h ARG 182 Cb 0.57 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2r3a h ARG 182 CO 0.03 0.28 0.47 0.78 -1.07 0.00 0.00 179.97 180.46 2r3a h GLY 183 N 0.44 0.70 0.56 0.04 0.00 0.54 -1.72 103.07 103.64 2r3a h GLY 183 Ca 0.21 -0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.53 2r3a h GLY 183 CO -0.17 0.09 0.53 1.46 0.00 0.00 0.00 176.54 178.45 2r3a h GLN 184 N 0.46 0.32 -0.59 4.80 1.08 -1.29 0.88 115.11 120.76 2r3a h GLN 184 Ca 0.33 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2r3a h GLN 184 Cb 0.68 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2r3a h GLN 184 CO -0.11 0.21 0.00 1.19 -0.95 0.00 0.00 178.83 179.18 2r3a n PHE 185 N -4.46 0.78 -3.69 2.96 3.72 -0.65 -4.94 117.46 111.17 2r3a n PHE 185 Ca 0.16 -0.39 -0.35 0.00 -0.05 0.00 0.00 57.45 56.81 2r3a n PHE 185 Cb 0.63 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.11 2r3a n PHE 185 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2r3a s TYR 186 N -1.22 3.60 0.89 1.38 1.51 0.30 -5.11 117.35 118.70 2r3a s TYR 186 Ca 0.45 0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 57.03 2r3a s TYR 186 Cb 0.24 -2.06 0.21 0.00 -0.11 0.00 0.00 41.96 40.24 2r3a s TYR 186 CO 0.33 0.61 1.11 -0.40 -1.11 0.00 0.00 175.55 176.09 2r3a n ASP 187 N 1.26 -0.32 -0.23 2.29 5.68 -1.26 -4.78 116.55 119.19 2r3a n ASP 187 Ca -0.12 -1.35 -0.00 0.00 -0.50 0.00 0.00 54.79 52.82 2r3a n ASP 187 Cb 0.53 -0.88 0.11 0.00 -1.14 0.00 0.00 41.12 39.75 2r3a n ASP 187 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2r3a h ASN 188 N -1.71 0.47 -0.53 -1.12 4.21 -1.97 -1.84 115.58 113.10 2r3a h ASN 188 Ca -0.37 0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.22 2r3a h ASN 188 Cb 1.03 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 38.16 2r3a h ASN 188 CO 0.26 0.29 0.30 0.50 -1.29 0.00 0.00 177.43 177.48 2r3a h LYS 189 N 0.61 0.57 -0.78 0.81 3.64 -2.00 -2.72 116.57 116.70 2r3a h LYS 189 Ca 0.32 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2r3a h LYS 189 Cb 0.29 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2r3a h LYS 189 CO -0.23 0.38 0.48 0.78 -2.27 0.00 0.00 179.45 178.58 2r3a h GLY 190 N 0.58 1.12 1.30 5.01 0.00 -1.69 -1.52 103.07 107.87 2r3a h GLY 190 Ca 0.22 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2r3a h GLY 190 CO -0.12 0.44 0.44 -2.22 0.00 0.00 0.00 176.54 175.08 2r3a h ILE 191 N 1.06 1.14 0.00 2.60 1.08 -1.32 -2.03 117.51 120.05 2r3a h ILE 191 Ca 0.28 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2r3a h ILE 191 Cb -0.05 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 2r3a h ILE 191 CO -0.05 0.16 -0.00 0.71 -0.69 0.00 0.00 178.15 178.27 2r3a h THR 192 N 0.87 0.08 -0.00 -0.27 1.35 -0.95 -1.49 112.91 112.50 2r3a h THR 192 Ca 0.25 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 2r3a h THR 192 Cb -0.04 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2r3a h THR 192 CO -0.06 0.00 -0.03 -1.22 -0.25 0.00 0.00 175.52 173.96 2r3a n TYR 193 N -3.19 0.00 -3.06 4.73 4.01 -0.76 -4.79 117.16 114.09 2r3a n TYR 193 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 2r3a n TYR 193 Cb 0.10 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 2r3a n TYR 193 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2r3a s LEU 194 N -2.43 4.22 -0.29 7.72 1.43 -0.56 -0.91 118.68 127.86 2r3a s LEU 194 Ca 0.32 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 2r3a s LEU 194 Cb 0.21 -3.01 0.09 0.00 0.03 0.00 0.00 46.19 43.51 2r3a s LEU 194 CO 0.45 -0.22 0.09 0.12 0.23 0.00 0.00 176.35 177.02 2r3a s PHE 195 N 1.45 1.44 0.20 0.29 5.99 0.11 -4.97 117.98 122.49 2r3a s PHE 195 Ca 0.34 -1.50 -0.31 0.00 0.00 0.00 0.00 56.93 55.45 2r3a s PHE 195 Cb -0.17 -1.51 -0.10 0.00 0.00 0.00 0.00 43.02 41.25 2r3a s PHE 195 CO 0.14 -0.83 1.49 -0.51 -0.00 0.00 0.00 175.22 175.50 2r3a s ASP 196 N 1.71 6.64 -1.38 6.13 1.01 -1.26 0.29 116.67 129.81 2r3a s ASP 196 Ca 0.08 2.61 -0.07 0.00 0.71 0.00 0.00 52.55 55.88 2r3a s ASP 196 Cb -0.17 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.24 2r3a s ASP 196 CO -0.24 -0.75 2.40 0.18 0.21 0.00 0.00 175.17 176.96 2r3a n LEU 197 N 3.20 7.90 -1.78 1.23 4.77 -0.28 -4.74 117.00 127.29 2r3a n LEU 197 Ca 0.10 -4.72 0.07 0.00 -0.03 0.00 0.00 56.01 51.42 2r3a n LEU 197 Cb 0.40 -1.43 0.37 0.00 -2.33 0.00 0.00 43.42 40.43 2r3a n LEU 197 CO 0.61 1.91 0.83 -0.90 -1.33 0.00 0.00 177.39 178.50 2r3a n ASP 198 N 2.61 5.35 -0.17 -1.43 5.68 -1.24 -4.24 116.55 123.10 2r3a n ASP 198 Ca 0.61 -2.84 -0.09 0.00 -0.50 0.00 0.00 54.79 51.97 2r3a n ASP 198 Cb 0.27 -0.67 -0.03 0.00 -1.14 0.00 0.00 41.12 39.55 2r3a n ASP 198 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2r3a h TYR 199 N 3.71 -1.21 0.00 2.11 3.20 -1.86 -3.33 116.97 119.59 2r3a h TYR 199 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2r3a h TYR 199 Cb 1.85 0.60 0.00 0.00 1.54 0.00 0.00 36.73 40.72 2r3a h TYR 199 CO 1.00 -0.42 -0.06 0.39 -1.64 0.00 0.00 178.16 177.43 2r3a n GLU 200 N -5.41 0.99 -3.54 1.82 1.02 -1.26 -5.07 120.64 109.20 2r3a n GLU 200 Ca 0.01 -1.00 -0.17 0.00 -0.02 0.00 0.00 57.16 55.99 2r3a n GLU 200 Cb 0.35 -0.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.99 2r3a n GLU 200 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2r3a s SER 201 N -0.61 -0.62 -0.03 1.62 0.15 -1.25 -4.89 113.70 108.07 2r3a s SER 201 Ca 0.02 0.73 0.17 0.00 0.70 0.00 0.00 55.95 57.57 2r3a s SER 201 Cb 0.02 0.58 0.55 0.00 -1.71 0.00 0.00 66.02 65.45 2r3a s SER 201 CO 0.00 -0.54 1.45 -0.90 1.20 0.00 0.00 173.24 174.45 2r3a n ASP 202 N 1.03 3.46 -0.05 5.45 5.68 -1.26 -3.71 116.55 127.15 2r3a n ASP 202 Ca -0.17 -2.13 -0.14 0.00 -0.50 0.00 0.00 54.79 51.85 2r3a n ASP 202 Cb 0.57 -0.44 -0.12 0.00 -1.14 0.00 0.00 41.12 39.99 2r3a n ASP 202 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2r3a h GLU 203 N 3.43 0.03 -6.35 0.11 5.08 -1.90 -3.41 114.58 111.58 2r3a h GLU 203 Ca 0.00 -0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.72 2r3a h GLU 203 Cb 0.95 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.08 2r3a h GLU 203 CO 0.07 0.86 -0.71 -0.06 -1.00 0.00 0.00 179.01 178.16 2r3a s PHE 204 N -2.91 2.58 -0.02 4.33 0.08 -1.26 0.11 117.98 120.88 2r3a s PHE 204 Ca -0.18 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 2r3a s PHE 204 Cb -0.01 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2r3a s PHE 204 CO 0.70 0.58 0.05 0.99 -0.10 0.00 0.00 175.22 177.44 2r3a s THR 205 N -2.01 -0.00 -0.15 0.64 2.01 -0.28 -1.13 115.64 114.72 2r3a s THR 205 Ca 0.27 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 2r3a s THR 205 Cb -0.07 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 2r3a s THR 205 CO 0.16 0.00 0.50 -0.69 -0.69 0.00 0.00 174.62 173.90 2r3a s VAL 206 N 0.06 5.15 -0.32 3.82 1.01 0.14 -1.07 120.40 129.20 2r3a s VAL 206 Ca -0.00 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2r3a s VAL 206 Cb -0.01 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.60 2r3a s VAL 206 CO -0.00 0.27 0.04 -0.62 0.00 0.00 0.00 175.10 174.78 2r3a s ASP 207 N 0.83 4.92 -0.04 3.32 -1.08 0.46 0.10 116.67 125.18 2r3a s ASP 207 Ca 0.26 -1.50 0.13 0.00 -0.52 0.00 0.00 52.55 50.92 2r3a s ASP 207 Cb -0.15 -1.72 0.45 0.00 -1.46 0.00 0.00 42.92 40.04 2r3a s ASP 207 CO 0.10 -0.32 1.33 0.00 0.52 0.00 0.00 175.17 176.80 2r3a n ALA 208 N 4.57 2.70 -0.37 3.66 0.00 -0.09 -0.90 120.51 130.09 2r3a n ALA 208 Ca -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 53.44 52.39 2r3a n ALA 208 Cb 0.43 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 19.00 2r3a n ALA 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r3a h ALA 209 N 3.70 1.27 0.00 0.00 0.00 -1.88 -3.35 119.26 119.00 2r3a h ALA 209 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2r3a h ALA 209 Cb 0.86 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2r3a h ALA 209 CO 0.09 0.66 -1.48 0.54 0.00 0.00 0.00 179.25 179.06 2r3a n ARG 210 N -4.38 0.53 -4.37 0.00 1.74 -1.26 -4.87 116.66 104.05 2r3a n ARG 210 Ca 0.12 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 2r3a n ARG 210 Cb 0.02 -1.17 -0.15 0.00 -1.02 0.00 0.00 32.46 30.14 2r3a n ARG 210 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2r3a s TYR 211 N -2.17 2.80 0.28 -1.55 2.02 -1.26 -0.52 117.35 116.96 2r3a s TYR 211 Ca -0.11 -1.14 -0.20 0.00 -0.37 0.00 0.00 57.07 55.25 2r3a s TYR 211 Cb 0.03 -1.92 0.05 0.00 -0.40 0.00 0.00 41.96 39.72 2r3a s TYR 211 CO 0.21 -0.55 0.85 0.20 -1.57 0.00 0.00 175.55 174.69 2r3a s GLY 212 N 1.00 0.12 0.00 0.71 0.00 -0.97 -3.90 107.32 104.28 2r3a s GLY 212 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2r3a s GLY 212 CO -0.03 0.35 0.00 1.16 0.00 0.00 0.00 173.10 174.58 2r3a n ASN 213 N -1.01 0.66 0.28 1.64 0.23 -1.25 -0.56 115.26 115.26 2r3a n ASN 213 Ca -0.06 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.12 2r3a n ASN 213 Cb 0.60 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.13 2r3a n ASN 213 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 2r3a h VAL 214 N 0.00 0.62 -0.08 3.53 -1.51 -1.90 -1.73 116.25 115.18 2r3a h VAL 214 Ca 0.00 -0.13 0.02 0.00 -1.23 0.00 0.00 66.70 65.36 2r3a h VAL 214 Cb 0.00 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2r3a h VAL 214 CO 0.00 0.03 0.12 0.77 -1.23 0.00 0.00 177.57 177.26 2r3a h SER 215 N 0.00 0.00 -0.07 4.19 4.64 -1.95 0.05 113.55 120.41 2r3a h SER 215 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2r3a h SER 215 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2r3a h SER 215 CO 0.00 0.00 0.07 -0.74 -0.87 0.00 0.00 176.83 175.30 2r3a h HIS 216 N 0.00 0.00 -0.13 4.77 6.17 -1.65 -2.79 115.15 121.51 2r3a h HIS 216 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2r3a h HIS 216 Cb 0.29 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.22 2r3a h HIS 216 CO 0.00 0.00 0.00 1.19 0.71 0.00 0.00 177.93 179.83 2r3a n PHE 217 N -3.84 0.16 -2.51 5.26 3.72 0.00 -4.97 117.46 115.27 2r3a n PHE 217 Ca -0.01 -0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 2r3a n PHE 217 Cb 0.17 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2r3a n PHE 217 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2r3a s VAL 218 N -1.26 4.37 0.61 -4.37 1.01 -1.06 -3.76 120.40 115.94 2r3a s VAL 218 Ca 0.22 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.79 2r3a s VAL 218 Cb 0.14 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2r3a s VAL 218 CO 0.21 0.01 0.99 0.20 0.00 0.00 0.00 175.10 176.51 2r3a s ASN 219 N 1.37 6.05 0.24 3.32 0.02 -1.26 -4.88 114.94 119.80 2r3a s ASN 219 Ca 0.54 1.24 -0.30 0.00 -1.02 0.00 0.00 52.86 53.32 2r3a s ASN 219 Cb -0.23 -2.28 -0.09 0.00 0.02 0.00 0.00 41.25 38.67 2r3a s ASN 219 CO 0.21 -0.92 0.99 -2.28 0.02 0.00 0.00 177.10 175.12 2r3a s HIS 220 N -3.13 3.85 0.05 2.20 5.65 -1.26 -2.52 115.29 120.13 2r3a s HIS 220 Ca 0.54 1.84 0.03 0.00 0.25 0.00 0.00 55.06 57.72 2r3a s HIS 220 Cb -0.11 -3.08 -0.03 0.00 -1.18 0.00 0.00 32.58 28.18 2r3a s HIS 220 CO 0.52 0.12 -0.09 0.45 -0.65 0.00 0.00 174.74 175.09 2r3a s SER 221 N -0.96 1.04 0.17 9.88 0.15 -0.67 -4.68 113.70 118.64 2r3a s SER 221 Ca 0.43 -0.61 0.26 0.00 0.70 0.00 0.00 55.95 56.73 2r3a s SER 221 Cb -0.28 0.03 0.78 0.00 -1.71 0.00 0.00 66.02 64.84 2r3a s SER 221 CO 0.34 -0.20 1.72 0.00 1.20 0.00 0.00 173.24 176.30 2r3a n ASP 223 N -2.14 1.33 -4.89 0.00 2.03 -1.26 -4.93 116.55 106.69 2r3a n ASP 223 Ca 0.05 -2.86 -0.29 0.00 0.52 0.00 0.00 54.79 52.21 2r3a n ASP 223 Cb 0.42 -0.65 0.05 0.00 -0.72 0.00 0.00 41.12 40.22 2r3a n ASP 223 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2r3a s PRO 224 N -1.12 2.77 0.00 -0.67 0.04 -1.25 -4.99 135.00 129.79 2r3a s PRO 224 Ca 0.33 0.34 0.14 0.00 0.04 0.00 0.00 61.00 61.85 2r3a s PRO 224 Cb 0.08 -2.06 0.20 0.00 0.04 0.00 0.00 34.50 32.76 2r3a s PRO 224 CO -0.13 -1.04 1.07 0.27 0.04 0.00 0.00 177.00 177.21 2r3a n ASN 225 N -2.96 2.51 -4.27 6.66 0.23 -1.07 -4.85 115.26 111.50 2r3a n ASN 225 Ca 0.07 -1.72 -0.19 0.00 -0.53 0.00 0.00 54.58 52.20 2r3a n ASN 225 Cb 0.58 -0.10 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 2r3a n ASN 225 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2r3a s LEU 226 N -1.13 2.41 -0.05 -4.53 1.43 -0.15 -1.39 118.68 115.27 2r3a s LEU 226 Ca 0.21 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2r3a s LEU 226 Cb 0.13 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.72 2r3a s LEU 226 CO 0.19 -0.10 0.12 -1.58 0.23 0.00 0.00 176.35 175.20 2r3a s GLN 227 N -2.70 0.11 0.24 1.70 0.74 -0.15 -4.40 119.66 115.21 2r3a s GLN 227 Ca 0.11 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 2r3a s GLN 227 Cb -0.05 -0.02 -0.09 0.00 1.10 0.00 0.00 33.01 33.95 2r3a s GLN 227 CO 0.04 -0.06 1.09 0.08 -0.55 0.00 0.00 175.29 175.89 2r3a s VAL 228 N 0.40 3.66 0.04 1.34 1.01 -1.26 -1.32 120.40 124.26 2r3a s VAL 228 Ca -0.03 1.58 0.03 0.00 0.00 0.00 0.00 61.98 63.56 2r3a s VAL 228 Cb -0.04 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2r3a s VAL 228 CO -0.02 0.34 -0.10 -0.36 0.00 0.00 0.00 175.10 174.97 2r3a s PHE 229 N -0.84 0.83 0.14 5.22 0.40 0.26 -4.69 117.98 119.30 2r3a s PHE 229 Ca 0.46 -0.38 -0.18 0.00 -0.60 0.00 0.00 56.93 56.23 2r3a s PHE 229 Cb -0.31 -0.49 -0.07 0.00 0.51 0.00 0.00 43.02 42.66 2r3a s PHE 229 CO 0.38 -0.03 0.61 -0.80 0.70 0.00 0.00 175.22 176.08 2r3a s ASN 230 N -1.23 6.99 -0.03 1.36 0.01 -1.26 -1.12 114.94 119.66 2r3a s ASN 230 Ca -0.04 1.25 0.02 0.00 -0.71 0.00 0.00 52.86 53.37 2r3a s ASN 230 Cb -0.08 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.24 2r3a s ASN 230 CO 0.01 0.15 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.00 2r3a s VAL 231 N -1.34 0.58 -0.16 1.60 1.01 0.51 -0.64 120.40 121.95 2r3a s VAL 231 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2r3a s VAL 231 Cb -0.17 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.67 2r3a s VAL 231 CO 0.20 0.21 -0.14 -0.36 0.00 0.00 0.00 175.10 175.01 2r3a s PHE 232 N 0.54 2.26 0.00 5.22 0.08 0.36 -0.76 117.98 125.69 2r3a s PHE 232 Ca -0.07 -1.32 0.00 0.00 0.12 0.00 0.00 56.93 55.66 2r3a s PHE 232 Cb -0.11 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2r3a s PHE 232 CO 0.00 -0.69 0.00 -0.89 -0.10 0.00 0.00 175.22 173.54 2r3a n ILE 233 N 4.74 0.00 0.08 0.64 5.41 -1.26 -1.39 119.36 127.58 2r3a n ILE 233 Ca -0.17 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.48 2r3a n ILE 233 Cb 0.49 -0.10 -0.09 0.00 -0.71 0.00 0.00 39.64 39.23 2r3a n ILE 233 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2r3a h ASP 234 N 0.00 0.18 -3.55 4.38 3.32 -1.89 -3.43 116.42 115.43 2r3a h ASP 234 Ca 0.00 -0.18 -0.52 0.00 0.02 0.00 0.00 57.03 56.35 2r3a h ASP 234 Cb 0.00 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2r3a h ASP 234 CO 0.00 1.08 0.18 0.21 -1.72 0.00 0.00 179.24 178.99 2r3a s ASN 235 N -6.89 7.34 0.00 6.45 2.47 -1.26 -4.87 114.94 118.18 2r3a s ASN 235 Ca -0.01 1.62 0.02 0.00 0.42 0.00 0.00 52.86 54.91 2r3a s ASN 235 Cb 0.09 -2.49 -0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2r3a s ASN 235 CO 0.84 0.17 0.29 0.18 -3.72 0.00 0.00 177.10 174.86 2r3a n LEU 236 N 1.40 0.57 -4.63 3.21 4.77 -1.26 -4.59 117.00 116.46 2r3a n LEU 236 Ca -0.05 -0.72 -0.43 0.00 -0.03 0.00 0.00 56.01 54.79 2r3a n LEU 236 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2r3a n LEU 236 CO 0.46 0.13 1.11 -0.62 -1.33 0.00 0.00 177.39 177.13 2r3a s ASP 237 N -0.76 6.67 0.00 -1.43 -1.08 -1.26 -4.89 116.67 113.93 2r3a s ASP 237 Ca 0.02 1.07 0.23 0.00 -0.52 0.00 0.00 52.55 53.35 2r3a s ASP 237 Cb 0.02 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.28 2r3a s ASP 237 CO 0.06 -1.10 1.77 0.35 0.52 0.00 0.00 175.17 176.77 2r3a n THR 238 N 6.31 0.08 0.25 1.71 -2.24 -1.26 -0.99 114.28 118.13 2r3a n THR 238 Ca 0.14 0.02 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 2r3a n THR 238 Cb 0.47 -0.65 0.46 0.00 -2.10 0.00 0.00 70.33 68.51 2r3a n THR 238 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2r3a h ARG 239 N 0.00 0.00 -1.57 -0.78 3.08 -1.90 -3.35 114.38 109.86 2r3a h ARG 239 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2r3a h ARG 239 Cb 0.06 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.70 2r3a h ARG 239 CO 0.00 0.04 -0.95 1.28 -1.07 0.00 0.00 179.97 179.27 2r3a n LEU 240 N -3.13 2.92 -4.77 3.04 4.77 -0.17 -4.57 117.00 115.09 2r3a n LEU 240 Ca 0.02 -4.77 -0.34 0.00 -0.03 0.00 0.00 56.01 50.88 2r3a n LEU 240 Cb 0.41 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2r3a n LEU 240 CO 0.31 2.05 0.77 -2.16 -1.33 0.00 0.00 177.39 177.02 2r3a s PRO 241 N -3.20 3.07 0.46 3.23 0.04 -1.26 -4.91 135.00 132.43 2r3a s PRO 241 Ca 0.40 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 2r3a s PRO 241 Cb 0.39 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.88 2r3a s PRO 241 CO -0.09 -1.06 0.88 1.03 0.04 0.00 0.00 177.00 177.81 2r3a s ARG 242 N -3.66 3.89 -0.17 4.56 0.52 0.06 -4.85 118.95 119.30 2r3a s ARG 242 Ca 0.70 0.75 -0.02 0.00 -0.52 0.00 0.00 55.73 56.64 2r3a s ARG 242 Cb -0.23 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2r3a s ARG 242 CO 0.34 -0.14 -0.10 0.42 0.02 0.00 0.00 175.30 175.84 2r3a s ILE 243 N -2.47 3.15 0.02 1.52 -1.09 -1.26 -0.37 121.20 120.70 2r3a s ILE 243 Ca 0.56 -0.60 0.07 0.00 -2.23 0.00 0.00 60.65 58.45 2r3a s ILE 243 Cb -0.10 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 2r3a s ILE 243 CO 0.30 0.49 -0.20 0.00 -1.23 0.00 0.00 174.94 174.29 2r3a s ALA 244 N 0.83 2.49 -0.27 9.38 0.00 -0.27 -1.23 121.76 132.68 2r3a s ALA 244 Ca -0.03 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2r3a s ALA 244 Cb -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2r3a s ALA 244 CO 0.01 0.56 0.07 -0.51 0.00 0.00 0.00 175.76 175.88 2r3a s LEU 245 N -1.20 3.58 0.05 0.00 1.43 0.53 -0.57 118.68 122.49 2r3a s LEU 245 Ca 0.13 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2r3a s LEU 245 Cb -0.10 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2r3a s LEU 245 CO 0.03 -0.10 -0.07 -0.36 0.23 0.00 0.00 176.35 176.08 2r3a s PHE 246 N 1.56 2.84 0.53 0.29 0.08 -0.43 -0.60 117.98 122.25 2r3a s PHE 246 Ca 0.05 -0.09 -0.21 0.00 0.12 0.00 0.00 56.93 56.80 2r3a s PHE 246 Cb -0.16 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2r3a s PHE 246 CO 0.03 0.40 1.25 -1.54 -0.10 0.00 0.00 175.22 175.26 2r3a s SER 247 N -1.82 5.57 0.00 1.36 1.04 0.38 -0.97 113.70 119.26 2r3a s SER 247 Ca 0.20 2.50 0.22 0.00 0.48 0.00 0.00 55.95 59.35 2r3a s SER 247 Cb -0.11 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.33 2r3a s SER 247 CO 0.11 -1.35 0.98 0.35 0.98 0.00 0.00 173.24 174.32 2r3a n THR 248 N -0.98 0.02 -3.81 2.02 -2.24 -0.48 -2.04 114.28 106.75 2r3a n THR 248 Ca 0.10 -0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.78 2r3a n THR 248 Cb 0.47 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2r3a n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r3a s ARG 249 N -3.06 1.45 0.19 -0.78 1.70 -1.26 -4.69 118.95 112.49 2r3a s ARG 249 Ca 0.07 -0.87 -0.32 0.00 -0.47 0.00 0.00 55.73 54.14 2r3a s ARG 249 Cb 0.16 0.45 -0.11 0.00 -0.57 0.00 0.00 34.95 34.88 2r3a s ARG 249 CO 0.83 -0.67 1.65 0.99 -1.08 0.00 0.00 175.30 177.02 2r3a s THR 250 N -2.83 2.32 -0.17 4.99 2.01 -1.26 -3.86 115.64 116.83 2r3a s THR 250 Ca 0.16 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 2r3a s THR 250 Cb -0.03 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2r3a s THR 250 CO 0.05 0.02 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.28 2r3a s ILE 251 N 1.20 3.26 0.44 1.82 1.01 -0.19 -4.94 121.20 123.81 2r3a s ILE 251 Ca 0.73 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 2r3a s ILE 251 Cb -0.47 -2.43 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 2r3a s ILE 251 CO 0.32 0.48 0.98 0.20 0.00 0.00 0.00 174.94 176.91 2r3a s ASN 252 N 0.86 6.78 0.06 3.58 0.01 -1.26 -0.49 114.94 124.47 2r3a s ASN 252 Ca -0.02 1.77 -0.38 0.00 -0.71 0.00 0.00 52.86 53.52 2r3a s ASN 252 Cb -0.15 -2.55 -0.18 0.00 0.41 0.00 0.00 41.25 38.78 2r3a s ASN 252 CO 0.01 -0.48 1.18 0.00 -1.51 0.00 0.00 177.10 176.31 2r3a n ALA 253 N -0.70 -2.17 0.00 0.60 0.00 -1.25 -1.45 120.51 115.54 2r3a n ALA 253 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2r3a n ALA 253 Cb 0.53 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2r3a n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r3a n GLY 254 N 2.03 1.58 3.75 0.00 0.00 0.11 -4.93 105.19 107.73 2r3a n GLY 254 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2r3a n GLY 254 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r3a s GLU 255 N -0.51 4.59 0.21 1.61 2.12 -0.53 -4.70 118.70 121.49 2r3a s GLU 255 Ca 0.00 1.80 -0.30 0.00 0.36 0.00 0.00 54.97 56.83 2r3a s GLU 255 Cb 0.00 -3.23 -0.09 0.00 0.26 0.00 0.00 34.13 31.08 2r3a s GLU 255 CO 0.00 0.10 1.28 -2.00 -0.54 0.00 0.00 175.26 174.10 2r3a s GLU 256 N -0.84 4.42 0.13 4.30 2.12 -1.26 -1.70 118.70 125.86 2r3a s GLU 256 Ca 0.48 2.03 -0.25 0.00 0.36 0.00 0.00 54.97 57.59 2r3a s GLU 256 Cb -0.31 -3.19 -0.07 0.00 0.26 0.00 0.00 34.13 30.82 2r3a s GLU 256 CO 0.38 -0.19 0.77 -0.51 -0.54 0.00 0.00 175.26 175.17 2r3a s LEU 257 N -0.38 4.55 0.02 2.70 1.43 0.99 -4.92 118.68 123.08 2r3a s LEU 257 Ca 0.55 1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 55.16 2r3a s LEU 257 Cb -0.36 -3.27 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2r3a s LEU 257 CO 0.40 0.16 0.13 0.42 0.23 0.00 0.00 176.35 177.69 2r3a s THR 258 N -0.85 0.11 0.17 5.49 -4.23 -1.26 -4.03 115.64 111.04 2r3a s THR 258 Ca 0.36 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2r3a s THR 258 Cb -0.22 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 2r3a s THR 258 CO 0.25 -0.48 0.07 0.72 -0.54 0.00 0.00 174.62 174.64 2r3a s PHE 259 N -2.05 1.09 -0.49 3.99 -0.12 -1.05 -0.98 117.98 118.38 2r3a s PHE 259 Ca -0.09 -1.22 -0.22 0.00 -0.05 0.00 0.00 56.93 55.35 2r3a s PHE 259 Cb -0.04 -0.60 0.04 0.00 -0.63 0.00 0.00 43.02 41.79 2r3a s PHE 259 CO -0.02 -0.46 0.78 0.34 -0.05 0.00 0.00 175.22 175.81 2r3a s ASP 260 N -3.14 6.33 0.63 1.98 -1.08 -1.25 -1.66 116.67 118.47 2r3a s ASP 260 Ca 0.29 -0.41 0.33 0.00 -0.52 0.00 0.00 52.55 52.25 2r3a s ASP 260 Cb 0.07 -2.37 1.88 0.00 -1.46 0.00 0.00 42.92 41.04 2r3a s ASP 260 CO 0.06 -0.99 2.16 1.88 0.52 0.00 0.00 175.17 178.80 2r3a h TYR 261 N 9.07 0.00 0.00 -5.34 -1.99 -1.92 0.23 116.97 117.03 2r3a h TYR 261 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 2r3a h TYR 261 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 2r3a h TYR 261 CO 0.81 0.00 0.00 0.94 -0.00 0.00 0.00 178.16 179.91 2r3a n GLN 262 N -3.44 0.24 -1.48 4.88 -0.06 -1.26 -3.76 117.38 112.49 2r3a n GLN 262 Ca -0.01 0.20 -0.25 0.00 -2.00 0.00 0.00 57.00 54.94 2r3a n GLN 262 Cb 0.24 -1.78 0.09 0.00 -4.06 0.00 0.00 30.24 24.73 2r3a n GLN 262 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 2r3a n MET 263 N -2.20 2.84 0.11 3.69 2.81 0.82 -4.58 117.12 120.61 2r3a n MET 263 Ca 0.06 -3.57 0.00 0.00 -1.81 0.00 0.00 57.70 52.38 2r3a n MET 263 Cb 0.42 -2.20 0.31 0.00 -0.71 0.00 0.00 33.22 31.04 2r3a n MET 263 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2r3a h LYS 264 N 1.82 0.24 0.00 0.03 1.57 -1.66 -3.44 116.57 115.14 2r3a h LYS 264 Ca 0.46 -0.08 -0.22 0.00 -1.87 0.00 0.00 60.65 58.94 2r3a h LYS 264 Cb 1.36 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.59 2r3a h LYS 264 CO 1.06 0.49 -0.11 0.41 -0.57 0.00 0.00 179.45 180.73 2r3a n GLY 265 N -0.54 2.29 1.19 3.86 0.00 -1.26 -4.96 105.19 105.77 2r3a n GLY 265 Ca -0.01 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.57 2r3a n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2r3a n SER 266 N -1.72 3.51 0.00 1.61 3.41 -1.26 -5.05 113.62 114.12 2r3a n SER 266 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2r3a n SER 266 Cb 0.47 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2r3a n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r3a n GLY 267 N 1.54 0.13 0.00 5.00 0.00 -1.26 -5.19 105.19 105.42 2r3a n GLY 267 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2r3a n GLY 267 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r3a n ARG 282 N 0.00 0.00 -1.98 1.61 3.00 -1.26 -5.08 116.66 112.95 2r3a n ARG 282 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2r3a n ARG 282 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 2r3a n ARG 282 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2r3a s VAL 283 N 0.00 2.46 -0.23 5.15 1.01 -1.26 -4.99 120.40 122.53 2r3a s VAL 283 Ca 0.00 0.44 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 2r3a s VAL 283 Cb 0.00 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 2r3a s VAL 283 CO 0.00 0.10 0.87 -0.13 0.00 0.00 0.00 175.10 175.94 2r3a s ARG 284 N -1.55 4.21 -0.03 2.72 0.52 -1.26 -4.99 118.95 118.57 2r3a s ARG 284 Ca 0.53 1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 56.48 2r3a s ARG 284 Cb -0.43 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.38 2r3a s ARG 284 CO 0.54 -0.52 1.01 0.99 0.02 0.00 0.00 175.30 177.34 2r3a s THR 285 N 2.85 4.78 0.08 0.02 2.01 -1.26 -4.97 115.64 119.14 2r3a s THR 285 Ca 0.37 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 64.07 2r3a s THR 285 Cb -0.15 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 2r3a s THR 285 CO 0.08 0.10 1.19 -0.69 -0.69 0.00 0.00 174.62 174.61 2r3a s VAL 286 N 1.36 3.98 -0.08 3.82 1.01 -1.26 -0.99 120.40 128.23 2r3a s VAL 286 Ca 0.51 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 2r3a s VAL 286 Cb -0.21 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2r3a s VAL 286 CO 0.25 0.13 1.01 0.00 0.00 0.00 0.00 175.10 176.49 2r3a n LYS 288 N 4.81 1.91 0.26 0.00 5.02 -1.26 -4.73 118.16 124.17 2r3a n LYS 288 Ca 0.08 -3.25 0.11 0.00 -2.02 0.00 0.00 58.31 53.24 2r3a n LYS 288 Cb 0.49 -1.84 0.71 0.00 -0.02 0.00 0.00 35.03 34.37 2r3a n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r3a n GLY 290 N -0.87 1.45 3.76 0.00 0.00 -1.26 -4.97 105.19 103.30 2r3a n GLY 290 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2r3a n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3a s ALA 291 N -2.85 3.69 0.30 4.61 0.00 -1.26 -4.91 121.76 121.34 2r3a s ALA 291 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.61 2r3a s ALA 291 Cb 0.00 -3.64 0.80 0.00 0.00 0.00 0.00 23.12 20.28 2r3a s ALA 291 CO 0.00 -1.02 1.72 0.28 0.00 0.00 0.00 175.76 176.73 2r3a h VAL 292 N 3.24 0.52 -0.30 0.00 2.07 -2.01 -0.47 116.25 119.29 2r3a h VAL 292 Ca -0.48 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2r3a h VAL 292 Cb 1.23 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2r3a h VAL 292 CO 0.74 0.09 0.00 0.35 0.02 0.00 0.00 177.57 178.77 2r3a n THR 293 N -4.96 1.39 -1.58 2.57 -2.24 -1.26 -4.97 114.28 103.23 2r3a n THR 293 Ca 0.24 -0.71 -0.49 0.00 -2.27 0.00 0.00 64.05 60.82 2r3a n THR 293 Cb 0.69 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 2r3a n THR 293 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r3a n ARG 295 N 1.73 0.10 0.00 0.00 1.74 -1.26 -4.94 116.66 114.02 2r3a n ARG 295 Ca 0.15 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2r3a n ARG 295 Cb 0.25 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2r3a n ARG 295 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r3a n GLY 296 N 1.44 3.23 3.00 -0.13 0.00 -1.26 -5.00 105.19 106.46 2r3a n GLY 296 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2r3a n GLY 296 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r3a s TYR 297 N -2.93 0.21 0.09 1.61 2.02 -1.26 -0.63 117.35 116.47 2r3a s TYR 297 Ca 0.00 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2r3a s TYR 297 Cb 0.00 -0.16 -0.22 0.00 -0.40 0.00 0.00 41.96 41.18 2r3a s TYR 297 CO 0.00 -0.20 1.19 -0.07 -1.57 0.00 0.00 175.55 174.90 2r3a h LEU 298 N 4.66 0.06 -0.28 -1.29 3.38 -1.36 -3.42 115.31 117.06 2r3a h LEU 298 Ca -0.31 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2r3a h LEU 298 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2r3a h LEU 298 CO 0.41 1.05 0.00 -0.46 0.09 0.00 0.00 178.44 179.54