#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5u s PRO 24 N 0.00 2.66 0.14 3.69 0.02 -1.26 -4.89 135.00 135.36 2r5u s PRO 24 Ca 0.00 1.84 -0.35 0.00 0.02 0.00 0.00 61.00 62.51 2r5u s PRO 24 Cb 0.00 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.49 2r5u s PRO 24 CO 0.00 -1.46 1.53 -2.30 -0.33 0.00 0.00 177.00 174.44 2r5u n PRO 25 N -2.00 1.92 -3.55 5.54 -0.02 -1.26 -4.96 135.00 130.68 2r5u n PRO 25 Ca 0.14 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 2r5u n PRO 25 Cb 0.50 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2r5u n PRO 25 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2r5u s GLN 26 N 0.87 0.68 -0.36 -0.52 -2.07 -1.26 -4.50 119.66 112.50 2r5u s GLN 26 Ca 0.80 -0.02 0.00 0.00 -1.82 0.00 0.00 55.36 54.33 2r5u s GLN 26 Cb -0.74 0.32 0.13 0.00 -1.09 0.00 0.00 33.01 31.63 2r5u s GLN 26 CO 0.40 -0.25 0.21 0.34 -1.32 0.00 0.00 175.29 174.67 2r5u s ASP 27 N -1.64 3.20 0.42 12.60 -1.08 -1.26 -5.01 116.67 123.90 2r5u s ASP 27 Ca 0.01 -2.18 0.13 0.00 -0.52 0.00 0.00 52.55 49.98 2r5u s ASP 27 Cb -0.01 -0.54 0.89 0.00 -1.46 0.00 0.00 42.92 41.80 2r5u s ASP 27 CO -0.02 -0.32 1.93 -0.07 0.52 0.00 0.00 175.17 177.22 2r5u h LEU 28 N 7.11 0.03 -0.30 -1.34 4.07 -1.99 -2.05 115.31 120.84 2r5u h LEU 28 Ca 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 2r5u h LEU 28 Cb 0.97 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 2r5u h LEU 28 CO 0.33 0.27 0.10 0.00 -1.08 0.00 0.00 178.44 178.06 2r5u h ALA 29 N 1.74 0.39 -0.70 1.53 0.00 -1.99 -1.45 119.26 118.77 2r5u h ALA 29 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2r5u h ALA 29 Cb 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2r5u h ALA 29 CO 0.03 0.02 0.34 0.00 0.00 0.00 0.00 179.25 179.64 2r5u h ALA 30 N 0.94 1.27 -0.57 0.00 0.00 -1.83 -1.53 119.26 117.54 2r5u h ALA 30 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2r5u h ALA 30 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2r5u h ALA 30 CO -0.00 0.56 0.28 0.93 0.00 0.00 0.00 179.25 181.02 2r5u h GLU 31 N 0.99 0.81 -0.38 0.00 5.08 -1.14 -1.47 114.58 118.47 2r5u h GLU 31 Ca 0.24 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2r5u h GLU 31 Cb 0.10 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2r5u h GLU 31 CO -0.03 0.65 0.15 1.96 -1.00 0.00 0.00 179.01 180.74 2r5u h GLN 32 N 0.77 0.58 -0.69 2.33 4.20 -0.98 -2.42 115.11 118.90 2r5u h GLN 32 Ca 0.20 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2r5u h GLN 32 Cb 0.10 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2r5u h GLN 32 CO -0.03 0.56 0.41 0.77 -0.67 0.00 0.00 178.83 179.87 2r5u h SER 33 N 0.47 0.83 -0.02 1.46 0.02 -1.17 -0.13 113.55 115.00 2r5u h SER 33 Ca 0.13 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2r5u h SER 33 Cb 0.20 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2r5u h SER 33 CO -0.01 0.65 -0.04 0.58 -1.14 0.00 0.00 176.83 176.87 2r5u h VAL 34 N 0.94 0.88 -0.49 2.27 2.07 -1.19 -0.05 116.25 120.68 2r5u h VAL 34 Ca 0.25 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.69 2r5u h VAL 34 Cb -0.02 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2r5u h VAL 34 CO -0.05 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.50 2r5u h LEU 35 N -0.07 0.83 -0.51 2.57 3.38 -1.20 -1.63 115.31 118.68 2r5u h LEU 35 Ca 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2r5u h LEU 35 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2r5u h LEU 35 CO -0.07 0.92 0.32 1.23 0.09 0.00 0.00 178.44 180.93 2r5u h GLY 36 N 0.71 0.73 0.97 0.83 0.00 -0.95 -1.95 103.07 103.42 2r5u h GLY 36 Ca 0.14 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.20 2r5u h GLY 36 CO 0.02 0.28 0.50 -1.33 0.00 0.00 0.00 176.54 176.01 2r5u h GLY 37 N 0.69 1.08 1.25 4.60 0.00 -0.85 -2.73 103.07 107.11 2r5u h GLY 37 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 2r5u h GLY 37 CO -0.04 0.37 0.04 -0.33 0.00 0.00 0.00 176.54 176.59 2r5u h MET 38 N 1.01 0.91 0.00 4.80 2.07 -1.05 -2.21 114.93 120.47 2r5u h MET 38 Ca 0.29 -0.24 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 2r5u h MET 38 Cb -0.09 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.54 2r5u h MET 38 CO -0.07 0.88 0.00 -0.07 1.07 0.00 0.00 176.91 178.71 2r5u h LEU 39 N 0.85 0.00 0.00 1.22 3.38 -1.11 -3.20 115.31 116.45 2r5u h LEU 39 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2r5u h LEU 39 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2r5u h LEU 39 CO 0.02 0.00 -1.55 0.18 0.09 0.00 0.00 178.44 177.18 2r5u n LEU 40 N -3.02 0.52 -3.68 1.67 4.77 -0.93 -4.44 117.00 111.89 2r5u n LEU 40 Ca 0.01 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2r5u n LEU 40 Cb 0.30 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 2r5u n LEU 40 CO 0.27 0.03 0.01 -0.55 -1.33 0.00 0.00 177.39 175.82 2r5u s SER 41 N -5.26 -0.30 0.23 -1.43 0.15 -0.88 -4.93 113.70 101.29 2r5u s SER 41 Ca -0.04 0.87 -0.08 0.00 0.70 0.00 0.00 55.95 57.40 2r5u s SER 41 Cb 0.10 0.96 0.21 0.00 -1.71 0.00 0.00 66.02 65.58 2r5u s SER 41 CO 0.83 -0.21 1.90 0.50 1.20 0.00 0.00 173.24 177.47 2r5u h LYS 42 N 7.66 1.15 -0.57 5.44 3.64 -1.88 -2.72 116.57 129.29 2r5u h LYS 42 Ca -0.26 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 2r5u h LYS 42 Cb 1.15 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2r5u h LYS 42 CO 0.22 0.76 0.38 -0.44 -2.27 0.00 0.00 179.45 178.09 2r5u h ASP 43 N 1.18 0.43 0.16 4.20 3.32 -1.96 -2.12 116.42 121.63 2r5u h ASP 43 Ca 0.33 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 2r5u h ASP 43 Cb -0.12 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2r5u h ASP 43 CO -0.08 0.27 -0.40 0.00 -1.72 0.00 0.00 179.24 177.32 2r5u h ALA 44 N 1.70 1.05 -0.32 3.45 0.00 -1.79 -2.91 119.26 120.44 2r5u h ALA 44 Ca 0.25 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2r5u h ALA 44 Cb 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2r5u h ALA 44 CO -0.07 0.60 0.10 0.82 0.00 0.00 0.00 179.25 180.70 2r5u h ILE 45 N 0.27 0.89 -0.61 0.00 2.04 -1.30 -1.11 117.51 117.69 2r5u h ILE 45 Ca 0.03 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2r5u h ILE 45 Cb 0.83 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2r5u h ILE 45 CO 0.07 0.04 0.39 0.00 0.00 0.00 0.00 178.15 178.65 2r5u h ALA 46 N 1.21 0.78 -0.76 1.87 0.00 -1.49 -1.36 119.26 119.51 2r5u h ALA 46 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2r5u h ALA 46 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2r5u h ALA 46 CO -0.16 0.24 0.50 -0.44 0.00 0.00 0.00 179.25 179.39 2r5u h ASP 47 N 0.83 0.86 -0.32 0.00 3.32 -1.29 -3.06 116.42 116.76 2r5u h ASP 47 Ca 0.22 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2r5u h ASP 47 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2r5u h ASP 47 CO -0.05 0.62 -0.03 0.58 -1.72 0.00 0.00 179.24 178.65 2r5u h VAL 48 N 1.02 1.27 -0.71 -1.35 2.07 -0.72 -3.02 116.25 114.81 2r5u h VAL 48 Ca 0.28 -1.02 0.17 0.00 0.82 0.00 0.00 66.70 66.95 2r5u h VAL 48 Cb -0.10 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2r5u h VAL 48 CO -0.07 0.33 0.49 -0.07 0.02 0.00 0.00 177.57 178.28 2r5u h LEU 49 N 0.39 0.20 -1.39 2.57 3.38 -1.18 0.46 115.31 119.74 2r5u h LEU 49 Ca 0.09 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.23 2r5u h LEU 49 Cb 0.49 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2r5u h LEU 49 CO 0.02 0.10 0.56 -0.08 0.09 0.00 0.00 178.44 179.13 2r5u h GLU 50 N 0.21 0.57 0.00 1.13 4.57 -1.43 -3.34 114.58 116.29 2r5u h GLU 50 Ca 0.35 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 2r5u h GLU 50 Cb 1.07 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2r5u h GLU 50 CO -0.07 0.38 -1.22 0.54 -1.18 0.00 0.00 179.01 177.46 2r5u n ARG 51 N -4.54 0.83 -4.33 1.92 1.74 0.05 -5.05 116.66 107.29 2r5u n ARG 51 Ca 0.17 -0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.93 2r5u n ARG 51 Cb 0.52 -1.10 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 2r5u n ARG 51 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2r5u s LEU 52 N -3.52 2.66 0.18 0.55 1.43 -0.60 -4.80 118.68 114.59 2r5u s LEU 52 Ca -0.02 -0.63 0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2r5u s LEU 52 Cb 0.02 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2r5u s LEU 52 CO 0.18 0.16 -0.21 -0.13 0.23 0.00 0.00 176.35 176.58 2r5u s ARG 53 N -2.31 1.63 -0.00 1.70 1.81 -1.26 -4.76 118.95 115.76 2r5u s ARG 53 Ca 0.19 -1.45 -0.30 0.00 -1.72 0.00 0.00 55.73 52.45 2r5u s ARG 53 Cb -0.10 -1.92 -0.06 0.00 -0.45 0.00 0.00 34.95 32.42 2r5u s ARG 53 CO 0.10 0.41 1.54 -2.14 -0.68 0.00 0.00 175.30 174.54 2r5u s PRO 54 N -2.65 4.23 0.00 3.54 0.02 -1.26 -1.71 135.00 137.16 2r5u s PRO 54 Ca 0.21 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2r5u s PRO 54 Cb -0.08 -3.71 0.00 0.00 0.02 0.00 0.00 34.50 30.73 2r5u s PRO 54 CO 0.11 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 2r5u n GLY 55 N 3.88 1.24 0.25 0.52 0.00 -1.26 -4.97 105.19 104.86 2r5u n GLY 55 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2r5u n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r5u h ASP 56 N 1.13 0.00 -3.32 1.61 3.32 -1.73 -3.43 116.42 114.01 2r5u h ASP 56 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2r5u h ASP 56 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2r5u h ASP 56 CO 0.00 0.10 0.46 -0.36 -1.72 0.00 0.00 179.24 177.72 2r5u s PHE 57 N -3.59 3.56 0.03 4.55 0.40 -1.26 -4.62 117.98 117.05 2r5u s PHE 57 Ca 0.02 1.56 -0.21 0.00 -0.60 0.00 0.00 56.93 57.69 2r5u s PHE 57 Cb 0.09 -3.22 -0.15 0.00 0.51 0.00 0.00 43.02 40.25 2r5u s PHE 57 CO 0.60 -0.44 1.36 -0.92 0.70 0.00 0.00 175.22 176.52 2r5u h TYR 58 N 6.87 0.32 -3.29 0.36 5.03 -1.96 -3.44 116.97 120.87 2r5u h TYR 58 Ca -0.40 -0.09 -0.57 0.00 2.58 0.00 0.00 58.73 60.26 2r5u h TYR 58 Cb 1.21 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 39.36 2r5u h TYR 58 CO 0.68 0.64 0.44 0.50 -1.32 0.00 0.00 178.16 179.11 2r5u s ARG 59 N -4.45 4.38 0.29 1.82 3.52 -1.26 -4.95 118.95 118.30 2r5u s ARG 59 Ca -0.14 1.19 0.03 0.00 -0.13 0.00 0.00 55.73 56.67 2r5u s ARG 59 Cb 0.05 -3.54 0.61 0.00 -1.56 0.00 0.00 34.95 30.50 2r5u s ARG 59 CO 0.73 -0.28 1.84 -1.35 -0.81 0.00 0.00 175.30 175.43 2r5u h PRO 60 N 7.15 0.91 -0.92 5.12 0.11 -2.00 -1.36 132.00 141.01 2r5u h PRO 60 Ca -0.31 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.81 2r5u h PRO 60 Cb 1.15 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 2r5u h PRO 60 CO 0.83 0.60 0.60 0.00 -0.21 0.00 0.00 178.00 179.82 2r5u h ALA 61 N 1.56 1.50 -0.35 -0.75 0.00 -1.92 -1.26 119.26 118.04 2r5u h ALA 61 Ca 0.50 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 2r5u h ALA 61 Cb 0.56 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2r5u h ALA 61 CO -0.27 0.35 -0.44 0.45 0.00 0.00 0.00 179.25 179.34 2r5u h HIS 62 N 1.04 1.12 -0.85 0.00 3.86 -1.67 -1.79 115.15 116.86 2r5u h HIS 62 Ca 0.40 -0.36 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2r5u h HIS 62 Cb 0.21 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 2r5u h HIS 62 CO -0.00 1.19 0.55 0.37 0.86 0.00 0.00 177.93 180.91 2r5u h GLN 63 N 0.74 1.13 -0.34 2.45 5.75 -1.07 -0.45 115.11 123.31 2r5u h GLN 63 Ca 0.05 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2r5u h GLN 63 Cb 1.04 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.32 2r5u h GLN 63 CO 0.11 0.76 0.18 -0.91 -2.65 0.00 0.00 178.83 176.31 2r5u h ASN 64 N 1.16 0.28 0.28 -0.69 -0.26 -1.06 -0.34 115.58 114.95 2r5u h ASN 64 Ca 0.31 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.05 2r5u h ASN 64 Cb -0.12 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 2r5u h ASN 64 CO -0.07 0.20 -0.13 0.58 -1.06 0.00 0.00 177.43 176.96 2r5u h VAL 65 N 0.37 0.76 -0.58 2.81 2.07 -1.10 -1.50 116.25 119.07 2r5u h VAL 65 Ca 0.14 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.52 2r5u h VAL 65 Cb 0.03 0.91 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 2r5u h VAL 65 CO -0.09 0.06 -0.03 0.22 0.02 0.00 0.00 177.57 177.75 2r5u h TYR 66 N -0.51 -0.10 -0.71 1.57 3.20 -1.01 -1.07 116.97 118.34 2r5u h TYR 66 Ca -0.04 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2r5u h TYR 66 Cb 0.38 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2r5u h TYR 66 CO -0.02 -0.18 0.24 -0.44 -1.64 0.00 0.00 178.16 176.12 2r5u h ASP 67 N 0.09 1.00 -0.44 -2.11 3.32 -0.91 -0.85 116.42 116.52 2r5u h ASP 67 Ca 0.30 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2r5u h ASP 67 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2r5u h ASP 67 CO -0.52 0.92 0.11 0.00 -1.72 0.00 0.00 179.24 178.04 2r5u h ALA 68 N 1.21 0.58 -0.15 3.45 0.00 -0.80 0.73 119.26 124.28 2r5u h ALA 68 Ca 0.23 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2r5u h ALA 68 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2r5u h ALA 68 CO -0.01 0.25 0.02 0.82 0.00 0.00 0.00 179.25 180.33 2r5u h ILE 69 N 0.57 0.92 -0.71 0.00 2.04 -0.90 -2.29 117.51 117.15 2r5u h ILE 69 Ca 0.14 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 2r5u h ILE 69 Cb 0.31 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2r5u h ILE 69 CO 0.00 0.01 0.17 -0.07 0.00 0.00 0.00 178.15 178.26 2r5u h LEU 70 N 0.08 1.07 -0.12 1.44 3.38 -1.01 -0.07 115.31 120.08 2r5u h LEU 70 Ca 0.07 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2r5u h LEU 70 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2r5u h LEU 70 CO -0.10 1.03 -0.07 0.44 0.09 0.00 0.00 178.44 179.83 2r5u h ASP 71 N 1.07 -0.23 -0.09 -0.43 3.45 -0.72 0.47 116.42 119.94 2r5u h ASP 71 Ca 0.22 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.73 2r5u h ASP 71 Cb 0.38 0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2r5u h ASP 71 CO 0.00 -0.10 0.04 -0.07 -1.57 0.00 0.00 179.24 177.55 2r5u h LEU 72 N -0.07 0.12 -0.83 1.55 3.38 -1.21 -2.86 115.31 115.40 2r5u h LEU 72 Ca 0.07 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.02 2r5u h LEU 72 Cb 0.17 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2r5u h LEU 72 CO -0.16 0.23 0.45 0.22 0.09 0.00 0.00 178.44 179.27 2r5u h TYR 73 N 0.01 0.82 0.00 1.13 3.20 -0.90 -0.82 116.97 120.41 2r5u h TYR 73 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2r5u h TYR 73 Cb 0.14 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2r5u h TYR 73 CO -0.03 0.28 0.00 0.78 -1.64 0.00 0.00 178.16 177.56 2r5u h GLY 74 N 0.72 0.00 -1.98 1.82 0.00 -0.82 -2.05 103.07 100.76 2r5u h GLY 74 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2r5u h GLY 74 CO -0.29 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.79 2r5u n ARG 75 N -3.01 2.27 -1.95 4.80 1.74 -0.72 -4.95 116.66 114.85 2r5u n ARG 75 Ca 0.00 -1.97 -0.20 0.00 -0.77 0.00 0.00 57.85 54.91 2r5u n ARG 75 Cb 0.26 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 2r5u n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r5u n GLY 76 N 1.39 0.81 3.86 -0.13 0.00 -0.77 -5.02 105.19 105.32 2r5u n GLY 76 Ca 0.19 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2r5u n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r5u s GLU 77 N -4.30 3.28 0.48 1.61 2.02 -0.39 -5.01 118.70 116.38 2r5u s GLU 77 Ca 0.00 -0.42 -0.24 0.00 0.02 0.00 0.00 54.97 54.34 2r5u s GLU 77 Cb 0.00 -2.99 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 2r5u s GLU 77 CO 0.00 0.65 1.30 -1.25 0.02 0.00 0.00 175.26 175.98 2r5u s PRO 78 N -1.99 3.58 -0.50 0.39 0.04 -1.26 -3.60 135.00 131.66 2r5u s PRO 78 Ca 0.27 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2r5u s PRO 78 Cb -0.12 -2.47 0.13 0.00 0.04 0.00 0.00 34.50 32.08 2r5u s PRO 78 CO 0.19 -0.80 0.27 0.00 0.04 0.00 0.00 177.00 176.70 2r5u s ALA 79 N -1.35 3.30 0.35 8.56 0.00 -1.26 -4.78 121.76 126.58 2r5u s ALA 79 Ca 0.64 -3.02 0.01 0.00 0.00 0.00 0.00 51.96 49.59 2r5u s ALA 79 Cb -0.37 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 2r5u s ALA 79 CO 0.45 -1.95 0.03 -0.40 0.00 0.00 0.00 175.76 173.89 2r5u n ASP 80 N 3.67 2.49 -0.29 0.00 5.68 -1.26 -4.44 116.55 122.39 2r5u n ASP 80 Ca 0.05 -2.63 0.12 0.00 -0.50 0.00 0.00 54.79 51.83 2r5u n ASP 80 Cb 0.37 0.41 0.37 0.00 -1.14 0.00 0.00 41.12 41.13 2r5u n ASP 80 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2r5u h ALA 81 N 1.28 1.81 0.01 2.12 0.00 -1.95 -0.69 119.26 121.84 2r5u h ALA 81 Ca -0.29 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2r5u h ALA 81 Cb 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2r5u h ALA 81 CO 0.47 -0.08 -0.00 0.28 0.00 0.00 0.00 179.25 179.92 2r5u h VAL 82 N 0.71 1.56 -0.02 0.00 2.07 -1.99 -2.53 116.25 116.05 2r5u h VAL 82 Ca 0.48 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.09 2r5u h VAL 82 Cb 0.77 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 2r5u h VAL 82 CO -0.24 0.46 -0.56 0.71 0.02 0.00 0.00 177.57 177.96 2r5u h THR 83 N -0.79 1.40 -0.01 2.57 1.35 -1.82 -2.61 112.91 113.00 2r5u h THR 83 Ca -0.00 -1.91 -0.07 0.00 -0.55 0.00 0.00 66.41 63.88 2r5u h THR 83 Cb 0.75 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2r5u h THR 83 CO 0.00 0.55 -0.25 0.58 -0.25 0.00 0.00 175.52 176.15 2r5u h VAL 84 N 0.04 1.53 -0.85 6.82 2.07 -1.24 -1.43 116.25 123.19 2r5u h VAL 84 Ca -0.00 -1.90 0.17 0.00 0.82 0.00 0.00 66.70 65.79 2r5u h VAL 84 Cb 1.00 2.70 -0.10 0.00 -1.52 0.00 0.00 31.29 33.37 2r5u h VAL 84 CO 0.08 0.52 0.41 0.00 0.02 0.00 0.00 177.57 178.60 2r5u h ALA 85 N 0.29 1.30 -0.42 1.67 0.00 -1.46 -0.01 119.26 120.62 2r5u h ALA 85 Ca -0.03 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2r5u h ALA 85 Cb 0.99 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2r5u h ALA 85 CO 0.05 -0.18 -0.26 0.00 0.00 0.00 0.00 179.25 178.86 2r5u h ALA 86 N 1.60 0.74 -0.30 0.00 0.00 -1.41 -0.35 119.26 119.55 2r5u h ALA 86 Ca 0.49 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2r5u h ALA 86 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2r5u h ALA 86 CO -0.42 0.66 0.12 1.49 0.00 0.00 0.00 179.25 181.11 2r5u h GLU 87 N 0.76 0.44 -0.34 0.00 4.57 -0.68 -1.48 114.58 117.87 2r5u h GLU 87 Ca 0.09 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2r5u h GLU 87 Cb 0.81 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2r5u h GLU 87 CO 0.07 0.46 0.11 -0.07 -1.18 0.00 0.00 179.01 178.40 2r5u h LEU 88 N 0.33 0.12 -0.67 1.64 3.38 -0.93 -2.74 115.31 116.45 2r5u h LEU 88 Ca 0.10 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2r5u h LEU 88 Cb 0.18 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2r5u h LEU 88 CO -0.01 0.11 0.42 -0.78 0.09 0.00 0.00 178.44 178.27 2r5u h ASP 89 N 0.26 0.69 -0.63 -0.43 -0.00 -0.94 0.41 116.42 115.77 2r5u h ASP 89 Ca 0.15 -0.00 0.13 0.00 -0.00 0.00 0.00 57.03 57.31 2r5u h ASP 89 Cb 0.13 -0.15 -0.04 0.00 -0.00 0.00 0.00 39.33 39.27 2r5u h ASP 89 CO -0.16 0.48 0.43 0.03 -0.00 0.00 0.00 179.24 180.02 2r5u h ARG 90 N 0.82 0.32 -0.03 0.28 3.08 -1.01 0.66 114.38 118.50 2r5u h ARG 90 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2r5u h ARG 90 Cb 0.02 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2r5u h ARG 90 CO -0.10 0.21 0.00 0.54 -1.07 0.00 0.00 179.97 179.55 2r5u n ARG 91 N -4.46 1.52 -1.65 0.04 1.74 -0.59 -4.92 116.66 108.34 2r5u n ARG 91 Ca 0.11 -0.76 -0.12 0.00 -0.77 0.00 0.00 57.85 56.31 2r5u n ARG 91 Cb 0.47 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 2r5u n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r5u n GLY 92 N 1.12 0.81 0.31 -0.13 0.00 0.22 -4.93 105.19 102.59 2r5u n GLY 92 Ca 0.19 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.84 2r5u n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r5u n LEU 93 N -1.49 1.48 -0.23 0.99 4.77 0.03 -4.68 117.00 117.88 2r5u n LEU 93 Ca -0.13 -0.75 -0.06 0.00 -0.03 0.00 0.00 56.01 55.05 2r5u n LEU 93 Cb 0.47 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 2r5u n LEU 93 CO 0.18 0.29 0.97 0.25 -1.33 0.00 0.00 177.39 177.75 2r5u h LEU 94 N 1.54 1.00 -1.06 2.23 5.85 -1.86 -2.48 115.31 120.54 2r5u h LEU 94 Ca 0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2r5u h LEU 94 Cb 0.49 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2r5u h LEU 94 CO 0.00 0.95 -0.08 0.03 -0.34 0.00 0.00 178.44 179.01 2r5u h ARG 95 N 1.02 0.00 -0.03 1.25 2.47 -1.94 0.14 114.38 117.28 2r5u h ARG 95 Ca 0.22 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.77 2r5u h ARG 95 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2r5u h ARG 95 CO -0.00 0.08 -0.73 0.00 0.56 0.00 0.00 179.97 179.88 2r5u h ARG 96 N 0.00 0.21 0.00 0.04 3.08 -1.75 -3.11 114.38 112.84 2r5u h ARG 96 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2r5u h ARG 96 Cb 0.69 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2r5u h ARG 96 CO 0.01 0.84 -0.36 -0.84 -1.07 0.00 0.00 179.97 178.55 2r5u h ILE 97 N 0.14 0.00 0.00 2.04 3.07 -1.41 -3.47 117.51 117.88 2r5u h ILE 97 Ca -0.02 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.64 2r5u h ILE 97 Cb 1.29 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 2r5u h ILE 97 CO 0.11 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 2r5u n GLY 98 N 1.23 1.10 2.82 0.16 0.00 -1.07 -4.79 105.19 104.64 2r5u n GLY 98 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2r5u n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5u n GLY 99 N -1.73 -2.17 0.37 -0.02 0.00 0.45 -3.69 105.19 98.39 2r5u n GLY 99 Ca 0.00 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.67 2r5u n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5u h ALA 100 N -0.06 1.75 -0.30 4.61 0.00 -1.94 -0.94 119.26 122.38 2r5u h ALA 100 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2r5u h ALA 100 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2r5u h ALA 100 CO 0.00 -0.07 0.21 -1.35 0.00 0.00 0.00 179.25 178.04 2r5u h PRO 101 N 0.74 0.12 -0.40 0.00 0.11 -2.00 -1.73 132.00 128.85 2r5u h PRO 101 Ca 0.53 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.58 2r5u h PRO 101 Cb 0.85 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2r5u h PRO 101 CO -0.30 0.08 0.05 -0.92 -0.21 0.00 0.00 178.00 176.70 2r5u h TYR 102 N 0.12 0.71 -0.95 0.65 -0.00 -1.24 -1.57 116.97 114.69 2r5u h TYR 102 Ca 0.14 -0.10 0.08 0.00 -0.00 0.00 0.00 58.73 58.84 2r5u h TYR 102 Cb 0.39 -0.19 -0.07 0.00 -0.00 0.00 0.00 36.73 36.86 2r5u h TYR 102 CO -0.00 0.71 0.62 -0.07 -0.00 0.00 0.00 178.16 179.41 2r5u h LEU 103 N 0.51 0.94 -0.74 2.82 3.38 -1.37 0.15 115.31 120.99 2r5u h LEU 103 Ca 0.12 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2r5u h LEU 103 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2r5u h LEU 103 CO 0.01 0.58 -0.25 0.45 0.09 0.00 0.00 178.44 179.32 2r5u h HIS 104 N 1.05 0.78 -0.69 1.13 3.86 -1.19 -1.96 115.15 118.14 2r5u h HIS 104 Ca 0.42 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2r5u h HIS 104 Cb 0.26 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2r5u h HIS 104 CO -0.00 0.87 0.40 1.15 0.86 0.00 0.00 177.93 181.21 2r5u h THR 105 N 0.60 1.20 -0.47 2.45 2.02 -0.19 -2.66 112.91 115.87 2r5u h THR 105 Ca 0.08 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2r5u h THR 105 Cb 0.74 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2r5u h THR 105 CO 0.06 0.21 0.25 -0.07 0.37 0.00 0.00 175.52 176.34 2r5u h LEU 106 N 0.94 0.37 -0.76 2.58 3.38 -0.51 -2.39 115.31 118.91 2r5u h LEU 106 Ca 0.25 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.32 2r5u h LEU 106 Cb -0.01 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2r5u h LEU 106 CO -0.04 0.26 0.42 0.40 0.09 0.00 0.00 178.44 179.56 2r5u h ILE 107 N 0.49 0.89 0.00 1.22 1.08 -1.20 -2.87 117.51 117.13 2r5u h ILE 107 Ca 0.20 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2r5u h ILE 107 Cb 0.08 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 2r5u h ILE 107 CO -0.13 0.13 0.00 -1.54 -0.69 0.00 0.00 178.15 175.92 2r5u n SER 108 N -4.79 0.00 -0.01 1.72 3.41 -0.91 -2.72 113.62 110.32 2r5u n SER 108 Ca 0.12 -0.11 0.14 0.00 -0.26 0.00 0.00 58.87 58.76 2r5u n SER 108 Cb 0.26 -0.25 0.68 0.00 -0.26 0.00 0.00 64.21 64.65 2r5u n SER 108 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2r5u n THR 109 N -1.25 0.00 -3.86 6.66 -2.24 -1.08 -4.82 114.28 107.69 2r5u n THR 109 Ca 0.11 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2r5u n THR 109 Cb 0.16 -0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 2r5u n THR 109 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2r5u s VAL 110 N -2.73 0.01 0.00 2.28 0.11 -1.10 -4.83 120.40 114.13 2r5u s VAL 110 Ca 0.23 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2r5u s VAL 110 Cb 0.20 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.95 2r5u s VAL 110 CO 0.50 -0.03 0.90 -0.81 -3.33 0.00 0.00 175.10 172.33 2r5u n PRO 111 N 2.95 0.00 -4.46 1.54 -0.04 -1.26 -4.93 135.00 128.80 2r5u n PRO 111 Ca -0.13 0.42 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 2r5u n PRO 111 Cb 0.59 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 2r5u n PRO 111 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2r5u s THR 112 N -2.60 1.69 -1.80 0.52 -4.23 -1.26 -5.05 115.64 102.91 2r5u s THR 112 Ca 0.00 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2r5u s THR 112 Cb 0.00 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2r5u s THR 112 CO 0.00 -0.22 0.76 0.00 -0.54 0.00 0.00 174.62 174.62 2r5u n ALA 113 N -0.66 2.33 -0.31 3.99 0.00 -1.26 -4.30 120.51 120.31 2r5u n ALA 113 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 2r5u n ALA 113 Cb 0.64 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.19 2r5u n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r5u h ALA 114 N 2.52 1.10 -0.38 0.00 0.00 -1.96 -2.97 119.26 117.57 2r5u h ALA 114 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2r5u h ALA 114 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2r5u h ALA 114 CO 0.00 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.73 2r5u n ASN 115 N -4.55 3.20 -0.29 0.00 3.02 -1.26 -4.54 115.26 110.84 2r5u n ASN 115 Ca 0.10 -2.32 -0.05 0.00 -0.03 0.00 0.00 54.58 52.28 2r5u n ASN 115 Cb 0.08 -0.48 0.07 0.00 -0.61 0.00 0.00 39.78 38.84 2r5u n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r5u h ALA 116 N 3.45 1.01 -0.77 5.41 0.00 -1.84 -1.56 119.26 124.96 2r5u h ALA 116 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2r5u h ALA 116 Cb 1.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2r5u h ALA 116 CO 0.17 0.52 0.38 0.78 0.00 0.00 0.00 179.25 181.10 2r5u h GLY 117 N 1.10 1.18 0.94 0.00 0.00 -1.86 0.27 103.07 104.70 2r5u h GLY 117 Ca 0.28 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2r5u h GLY 117 CO -0.05 0.55 0.07 -1.82 0.00 0.00 0.00 176.54 175.29 2r5u h TYR 118 N 1.08 0.13 -0.38 5.60 5.03 -1.75 -0.16 116.97 126.52 2r5u h TYR 118 Ca 0.27 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.50 2r5u h TYR 118 Cb 0.11 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 2r5u h TYR 118 CO 0.01 0.07 -0.11 1.88 -1.32 0.00 0.00 178.16 178.69 2r5u h TYR 119 N 0.15 0.71 -0.59 -3.82 0.05 -1.03 -2.21 116.97 110.24 2r5u h TYR 119 Ca 0.06 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 2r5u h TYR 119 Cb 0.01 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 2r5u h TYR 119 CO -0.09 0.74 0.24 0.00 -1.05 0.00 0.00 178.16 177.99 2r5u h ALA 120 N 1.28 1.31 -0.14 3.88 0.00 -0.75 -1.50 119.26 123.35 2r5u h ALA 120 Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2r5u h ALA 120 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2r5u h ALA 120 CO 0.03 0.52 -0.19 0.66 0.00 0.00 0.00 179.25 180.27 2r5u h SER 121 N 0.85 0.22 -0.07 0.00 4.64 -0.42 -0.93 113.55 117.84 2r5u h SER 121 Ca 0.20 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2r5u h SER 121 Cb 0.16 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2r5u h SER 121 CO -0.02 0.42 -0.05 0.40 -0.87 0.00 0.00 176.83 176.71 2r5u h ILE 122 N 0.21 1.34 -0.74 0.95 2.04 -1.00 -2.24 117.51 118.07 2r5u h ILE 122 Ca 0.04 -1.12 0.11 0.00 1.00 0.00 0.00 64.86 64.89 2r5u h ILE 122 Cb 0.46 1.94 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 2r5u h ILE 122 CO 0.03 0.31 0.37 0.58 0.00 0.00 0.00 178.15 179.44 2r5u h VAL 123 N -0.25 0.81 -0.51 1.67 2.07 -1.18 -1.24 116.25 117.63 2r5u h VAL 123 Ca 0.01 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 2r5u h VAL 123 Cb 0.52 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2r5u h VAL 123 CO 0.01 0.11 -0.17 0.00 0.02 0.00 0.00 177.57 177.54 2r5u h ALA 124 N 1.46 0.73 -0.36 1.67 0.00 -1.14 -1.43 119.26 120.20 2r5u h ALA 124 Ca 0.38 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2r5u h ALA 124 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2r5u h ALA 124 CO -0.30 0.67 -0.09 1.49 0.00 0.00 0.00 179.25 181.03 2r5u h GLU 125 N 0.88 0.70 -0.33 0.00 4.81 -1.11 -1.58 114.58 117.95 2r5u h GLU 125 Ca 0.12 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2r5u h GLU 125 Cb 0.74 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2r5u h GLU 125 CO 0.06 0.86 -0.04 0.87 -0.73 0.00 0.00 179.01 180.03 2r5u h LYS 126 N 0.49 0.53 -0.37 1.92 1.79 -1.22 -2.28 116.57 117.43 2r5u h LYS 126 Ca 0.09 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 2r5u h LYS 126 Cb 0.60 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2r5u h LYS 126 CO 0.04 0.59 -0.28 0.00 -1.08 0.00 0.00 179.45 178.72 2r5u h ALA 127 N 1.46 0.54 -0.03 3.86 0.00 -1.08 -0.91 119.26 123.10 2r5u h ALA 127 Ca 0.10 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2r5u h ALA 127 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2r5u h ALA 127 CO 0.02 0.56 -0.15 1.25 0.00 0.00 0.00 179.25 180.92 2r5u h LEU 128 N 0.65 -0.45 -0.74 0.00 5.85 -1.16 -0.22 115.31 119.24 2r5u h LEU 128 Ca 0.07 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2r5u h LEU 128 Cb 0.85 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2r5u h LEU 128 CO 0.07 -0.21 0.45 -0.07 -0.34 0.00 0.00 178.44 178.35 2r5u h LEU 129 N -0.24 0.72 -0.42 2.25 3.38 -1.36 -0.24 115.31 119.41 2r5u h LEU 129 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2r5u h LEU 129 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2r5u h LEU 129 CO -0.17 0.49 0.09 -0.09 0.09 0.00 0.00 178.44 178.85 2r5u h ARG 130 N 0.86 0.68 -0.02 1.13 2.43 -0.89 -0.98 114.38 117.59 2r5u h ARG 130 Ca 0.31 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2r5u h ARG 130 Cb 0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2r5u h ARG 130 CO -0.14 0.70 -0.28 0.00 -1.51 0.00 0.00 179.97 178.74 2r5u h ARG 131 N 0.54 0.03 -0.33 0.20 3.08 -0.81 -0.08 114.38 117.01 2r5u h ARG 131 Ca 0.13 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2r5u h ARG 131 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2r5u h ARG 131 CO 0.00 0.31 0.10 1.25 -1.07 0.00 0.00 179.97 180.56 2r5u h LEU 132 N 0.03 0.49 -0.65 3.04 5.85 -0.58 0.08 115.31 123.58 2r5u h LEU 132 Ca 0.00 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2r5u h LEU 132 Cb 0.51 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2r5u h LEU 132 CO 0.04 0.57 0.31 0.58 -0.34 0.00 0.00 178.44 179.60 2r5u h VAL 133 N 0.38 1.22 -0.28 1.05 2.07 -0.91 -0.37 116.25 119.41 2r5u h VAL 133 Ca 0.11 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2r5u h VAL 133 Cb 0.26 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2r5u h VAL 133 CO -0.00 0.26 0.04 -0.33 0.02 0.00 0.00 177.57 177.55 2r5u h GLU 134 N 0.89 0.47 -0.73 1.57 5.08 -0.92 -1.32 114.58 119.62 2r5u h GLU 134 Ca 0.22 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2r5u h GLU 134 Cb 0.12 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2r5u h GLU 134 CO -0.03 0.59 0.48 0.00 -1.00 0.00 0.00 179.01 179.05 2r5u h ALA 135 N 0.87 0.93 -0.46 3.43 0.00 -0.89 -0.75 119.26 122.39 2r5u h ALA 135 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2r5u h ALA 135 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2r5u h ALA 135 CO 0.01 0.34 0.23 0.78 0.00 0.00 0.00 179.25 180.61 2r5u h GLY 136 N 0.99 0.71 1.52 0.00 0.00 -0.89 0.12 103.07 105.52 2r5u h GLY 136 Ca 0.27 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 2r5u h GLY 136 CO -0.06 0.33 -0.22 -0.91 0.00 0.00 0.00 176.54 175.68 2r5u h THR 137 N 0.61 1.26 -0.54 4.70 1.35 -1.11 -1.78 112.91 117.40 2r5u h THR 137 Ca 0.16 -1.24 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 2r5u h THR 137 Cb 0.10 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2r5u h THR 137 CO -0.02 0.40 0.14 -0.09 -0.25 0.00 0.00 175.52 175.70 2r5u h ARG 138 N 0.50 0.86 -0.20 4.72 9.65 -0.68 -1.74 114.38 127.49 2r5u h ARG 138 Ca 0.08 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2r5u h ARG 138 Cb 0.65 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2r5u h ARG 138 CO 0.05 0.80 -0.02 0.28 2.80 0.00 0.00 179.97 183.88 2r5u h VAL 139 N 0.76 0.84 -0.69 0.20 2.07 -0.59 -0.23 116.25 118.61 2r5u h VAL 139 Ca 0.17 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.82 2r5u h VAL 139 Cb 0.32 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 2r5u h VAL 139 CO -0.00 0.01 0.16 0.58 0.02 0.00 0.00 177.57 178.34 2r5u h VAL 140 N 0.04 0.57 -0.82 2.57 2.07 -1.19 -1.21 116.25 118.28 2r5u h VAL 140 Ca 0.09 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2r5u h VAL 140 Cb 0.13 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2r5u h VAL 140 CO -0.17 0.05 0.45 -0.61 0.02 0.00 0.00 177.57 177.30 2r5u h GLN 141 N 0.28 1.14 -0.62 1.57 4.15 -0.76 -1.40 115.11 119.46 2r5u h GLN 141 Ca 0.38 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2r5u h GLN 141 Cb 0.61 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2r5u h GLN 141 CO -0.47 0.84 0.41 1.88 -1.93 0.00 0.00 178.83 179.56 2r5u h TYR 142 N 1.15 0.79 -0.09 3.99 0.99 -0.16 -0.86 116.97 122.78 2r5u h TYR 142 Ca 0.29 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.03 2r5u h TYR 142 Cb 0.03 -0.27 -0.00 0.00 1.00 0.00 0.00 36.73 37.49 2r5u h TYR 142 CO 0.01 0.51 0.04 0.78 -0.00 0.00 0.00 178.16 179.50 2r5u h GLY 143 N 0.85 0.13 2.00 3.88 0.00 -0.39 0.32 103.07 109.86 2r5u h GLY 143 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2r5u h GLY 143 CO -0.05 0.06 -0.44 -0.97 0.00 0.00 0.00 176.54 175.14 2r5u h TYR 144 N 0.04 0.00 0.00 5.60 0.99 -1.27 -3.38 116.97 118.94 2r5u h TYR 144 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2r5u h TYR 144 Cb 0.09 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.82 2r5u h TYR 144 CO -0.04 0.44 0.00 0.00 -0.00 0.00 0.00 178.16 178.56 2r5u n ALA 145 N -2.35 1.18 -0.68 3.88 0.00 -0.33 -5.10 120.51 117.11 2r5u n ALA 145 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2r5u n ALA 145 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2r5u n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r5u n GLY 146 N 0.33 0.21 2.55 0.00 0.00 0.11 -4.57 105.19 103.82 2r5u n GLY 146 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 2r5u n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5u s ALA 147 N -1.68 1.99 -1.36 4.61 0.00 -1.26 -4.62 121.76 119.44 2r5u s ALA 147 Ca 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 51.96 49.18 2r5u s ALA 147 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2r5u s ALA 147 CO 0.00 -2.02 0.48 0.39 0.00 0.00 0.00 175.76 174.61 2r5u n GLU 148 N 2.82 -2.77 -0.97 0.00 -0.58 -1.26 -1.55 120.64 116.33 2r5u n GLU 148 Ca 0.24 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 2r5u n GLU 148 Cb 0.43 -4.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.94 2r5u n GLU 148 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r5u n GLY 149 N -1.96 0.73 3.74 0.62 0.00 -1.26 -5.02 105.19 102.05 2r5u n GLY 149 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2r5u n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5u s ALA 150 N -3.03 2.38 0.79 4.61 0.00 -0.60 -5.00 121.76 120.92 2r5u s ALA 150 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 2r5u s ALA 150 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.74 2r5u s ALA 150 CO 0.00 -1.44 1.13 0.16 0.00 0.00 0.00 175.76 175.61 2r5u s ASP 151 N -1.84 4.06 0.39 0.00 3.84 -1.26 -4.62 116.67 117.24 2r5u s ASP 151 Ca 0.76 2.05 0.09 0.00 -0.00 0.00 0.00 52.55 55.45 2r5u s ASP 151 Cb -0.29 -2.55 0.87 0.00 -1.38 0.00 0.00 42.92 39.57 2r5u s ASP 151 CO 0.38 -2.34 1.97 1.62 -0.00 0.00 0.00 175.17 176.80 2r5u h VAL 152 N -1.04 0.96 -0.35 2.11 3.04 -1.99 -1.76 116.25 117.22 2r5u h VAL 152 Ca -0.45 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.09 2r5u h VAL 152 Cb 1.26 0.31 -0.04 0.00 -2.01 0.00 0.00 31.29 30.80 2r5u h VAL 152 CO 0.48 0.11 0.09 0.00 -1.01 0.00 0.00 177.57 177.25 2r5u h ALA 153 N 1.65 0.39 -0.70 3.17 0.00 -1.99 0.69 119.26 122.46 2r5u h ALA 153 Ca 0.30 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2r5u h ALA 153 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2r5u h ALA 153 CO -0.10 -0.31 0.18 1.49 0.00 0.00 0.00 179.25 180.52 2r5u h GLU 154 N 0.22 1.12 -0.78 0.00 4.81 -1.71 -1.93 114.58 116.31 2r5u h GLU 154 Ca 0.16 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2r5u h GLU 154 Cb 0.17 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2r5u h GLU 154 CO -0.20 0.98 0.49 0.28 -0.73 0.00 0.00 179.01 179.83 2r5u h VAL 155 N 1.05 1.21 -0.33 0.32 2.07 -0.71 -0.76 116.25 119.10 2r5u h VAL 155 Ca 0.22 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2r5u h VAL 155 Cb 0.36 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2r5u h VAL 155 CO 0.00 0.22 -0.16 0.58 0.02 0.00 0.00 177.57 178.23 2r5u h VAL 156 N 1.06 1.29 -0.76 2.57 2.07 -0.79 -1.28 116.25 120.41 2r5u h VAL 156 Ca 0.28 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.56 2r5u h VAL 156 Cb -0.07 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2r5u h VAL 156 CO -0.06 0.41 0.49 0.44 0.02 0.00 0.00 177.57 178.87 2r5u h ASP 157 N 0.46 0.82 -0.59 0.57 3.32 -1.05 -0.53 116.42 119.42 2r5u h ASP 157 Ca 0.07 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2r5u h ASP 157 Cb 0.69 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2r5u h ASP 157 CO 0.05 0.57 0.22 0.03 -1.72 0.00 0.00 179.24 178.39 2r5u h ARG 158 N 0.96 0.89 -0.26 3.56 3.08 -1.02 -1.43 114.38 120.15 2r5u h ARG 158 Ca 0.30 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 2r5u h ARG 158 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2r5u h ARG 158 CO -0.10 0.77 -0.33 0.00 -1.07 0.00 0.00 179.97 179.24 2r5u h ALA 159 N 1.07 0.94 -0.25 0.04 0.00 -0.92 -2.04 119.26 118.10 2r5u h ALA 159 Ca 0.19 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2r5u h ALA 159 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2r5u h ALA 159 CO -0.01 0.62 -0.29 1.96 0.00 0.00 0.00 179.25 181.52 2r5u h GLN 160 N 0.48 0.50 -0.16 0.00 4.20 -0.90 -2.91 115.11 116.33 2r5u h GLN 160 Ca 0.05 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 2r5u h GLN 160 Cb 0.80 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2r5u h GLN 160 CO 0.07 0.74 -0.42 0.00 -0.67 0.00 0.00 178.83 178.55 2r5u h ALA 161 N 1.25 0.99 -0.78 3.87 0.00 -1.02 -1.72 119.26 121.85 2r5u h ALA 161 Ca 0.06 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2r5u h ALA 161 Cb 0.73 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2r5u h ALA 161 CO 0.06 0.62 0.46 0.93 0.00 0.00 0.00 179.25 181.31 2r5u h GLU 162 N 0.30 0.80 0.08 0.00 4.39 -1.18 0.20 114.58 119.17 2r5u h GLU 162 Ca 0.03 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.43 2r5u h GLU 162 Cb 0.87 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2r5u h GLU 162 CO 0.07 0.53 -1.11 0.82 -1.16 0.00 0.00 179.01 178.16 2r5u h ILE 163 N 0.82 1.50 -0.24 3.13 1.08 -1.43 -3.15 117.51 119.22 2r5u h ILE 163 Ca 0.35 -2.92 0.02 0.00 -0.39 0.00 0.00 64.86 61.91 2r5u h ILE 163 Cb 0.21 2.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 2r5u h ILE 163 CO -0.19 0.85 0.11 1.88 -0.69 0.00 0.00 178.15 180.12 2r5u h TYR 164 N 0.10 0.21 0.00 1.37 -1.99 -0.85 -2.99 116.97 112.82 2r5u h TYR 164 Ca -0.10 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.64 2r5u h TYR 164 Cb 1.81 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.48 2r5u h TYR 164 CO 0.05 0.12 0.00 -0.25 -0.00 0.00 0.00 178.16 178.08 2r5u n ASP 165 N -4.99 0.00 0.00 3.88 8.00 0.66 -5.09 116.55 119.01 2r5u n ASP 165 Ca -0.02 -0.41 0.10 0.00 0.71 0.00 0.00 54.79 55.17 2r5u n ASP 165 Cb 0.06 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 41.74 2r5u n ASP 165 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33