#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxc n ASP 5 N 0.00 0.73 -4.40 -3.46 8.00 0.35 -4.92 116.55 112.85 1rxc n ASP 5 Ca 0.00 0.35 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 1rxc n ASP 5 Cb 0.00 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.66 1rxc n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxc s VAL 6 N -3.12 1.52 0.19 2.53 -7.23 -1.23 -5.06 120.40 108.00 1rxc s VAL 6 Ca 0.09 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1rxc s VAL 6 Cb 0.13 -2.40 -0.12 0.00 0.56 0.00 0.00 36.38 34.56 1rxc s VAL 6 CO 0.65 -0.33 1.44 0.15 -0.31 0.00 0.00 175.10 176.71 1rxc h PHE 7 N 2.34 0.15 0.00 2.82 3.04 -1.95 -3.39 116.94 119.95 1rxc h PHE 7 Ca -0.39 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.38 1rxc h PHE 7 Cb 1.23 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 1rxc h PHE 7 CO 0.66 0.86 -1.36 0.72 -2.02 0.00 0.00 178.31 177.17 1rxc n HIS 8 N -3.66 0.00 0.36 0.41 8.25 -1.26 -4.80 115.22 114.52 1rxc n HIS 8 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1rxc n HIS 8 Cb 0.76 -0.24 0.39 0.00 1.12 0.00 0.00 29.99 32.02 1rxc n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxc h LEU 9 N -0.10 0.00 -1.64 2.41 3.38 -1.93 -3.44 115.31 114.00 1rxc h LEU 9 Ca -0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.57 1rxc h LEU 9 Cb 1.19 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.06 1rxc h LEU 9 CO -0.05 0.00 -0.55 0.61 0.09 0.00 0.00 178.44 178.53 1rxc n GLY 10 N 0.75 -0.14 3.09 0.83 0.00 -1.26 -4.69 105.19 103.77 1rxc n GLY 10 Ca 0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1rxc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 11 N -5.22 2.23 0.29 0.99 1.43 -1.26 -4.79 118.68 112.35 1rxc s LEU 11 Ca 0.05 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 52.73 1rxc s LEU 11 Cb -0.02 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.86 1rxc s LEU 11 CO 0.53 -0.13 -0.00 0.42 0.23 0.00 0.00 176.35 177.40 1rxc s THR 12 N -1.21 3.19 0.37 5.49 -4.23 -1.26 -0.49 115.64 117.49 1rxc s THR 12 Ca -0.06 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1rxc s THR 12 Cb -0.09 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.21 1rxc s THR 12 CO 0.01 -0.33 2.02 0.50 -0.54 0.00 0.00 174.62 176.28 1rxc h LYS 13 N 1.87 0.73 -0.96 3.99 3.64 -1.97 -2.05 116.57 121.83 1rxc h LYS 13 Ca -0.44 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 1rxc h LYS 13 Cb 1.25 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.84 1rxc h LYS 13 CO 0.62 0.48 0.62 -0.97 -2.27 0.00 0.00 179.45 177.93 1rxc h ASN 14 N 0.75 0.93 -0.58 4.20 -0.00 -1.95 -2.53 115.58 116.40 1rxc h ASN 14 Ca 0.22 0.02 0.03 0.00 -0.00 0.00 0.00 56.30 56.57 1rxc h ASN 14 Cb -0.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.08 1rxc h ASN 14 CO -0.05 0.56 0.39 0.44 -0.00 0.00 0.00 177.43 178.77 1rxc h ASP 15 N 1.04 0.58 0.98 1.15 3.32 -1.77 -2.22 116.42 119.50 1rxc h ASP 15 Ca 0.44 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 1rxc h ASP 15 Cb 0.31 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1rxc h ASP 15 CO -0.19 0.40 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.32 1rxc h LEU 16 N 0.68 0.00 0.68 1.55 4.07 -1.51 -3.48 115.31 117.31 1rxc h LEU 16 Ca 0.23 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.79 1rxc h LEU 16 Cb 0.09 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.86 1rxc h LEU 16 CO -0.06 0.35 -0.61 0.00 -1.08 0.00 0.00 178.44 177.03 1rxc n GLN 17 N -3.44 -4.89 -0.53 1.13 6.02 -0.84 -1.97 117.38 112.87 1rxc n GLN 17 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1rxc n GLN 17 Cb 0.52 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.12 1rxc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 18 N -1.50 0.73 3.77 1.08 0.00 -1.26 -4.84 105.19 103.16 1rxc n GLY 18 Ca -0.08 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1rxc n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc s ALA 19 N -2.00 3.50 0.00 4.61 0.00 -0.83 -4.93 121.76 122.10 1rxc s ALA 19 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1rxc s ALA 19 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1rxc s ALA 19 CO 0.00 -0.63 0.66 0.25 0.00 0.00 0.00 175.76 176.04 1rxc n THR 20 N 0.90 0.40 -4.51 0.00 -2.24 -1.26 -4.15 114.28 103.43 1rxc n THR 20 Ca 0.00 -0.62 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1rxc n THR 20 Cb 0.42 0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 69.37 1rxc n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxc s LEU 21 N -0.40 1.66 -0.09 3.22 0.20 -1.26 -0.30 118.68 121.71 1rxc s LEU 21 Ca 0.00 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.59 1rxc s LEU 21 Cb 0.00 -0.72 0.01 0.00 -0.43 0.00 0.00 46.19 45.05 1rxc s LEU 21 CO 0.00 0.04 -0.16 0.00 -0.29 0.00 0.00 176.35 175.95 1rxc s ALA 22 N 0.52 1.60 -0.05 5.97 0.00 -0.55 -1.51 121.76 127.73 1rxc s ALA 22 Ca -0.10 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 1rxc s ALA 22 Cb -0.13 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1rxc s ALA 22 CO 0.02 0.07 0.78 0.42 0.00 0.00 0.00 175.76 177.05 1rxc s ILE 23 N 0.74 4.99 -0.52 0.00 1.01 0.12 -1.75 121.20 125.79 1rxc s ILE 23 Ca -0.12 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1rxc s ILE 23 Cb -0.16 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.34 1rxc s ILE 23 CO 0.03 0.22 0.32 0.68 0.00 0.00 0.00 174.94 176.19 1rxc s VAL 24 N 0.89 1.88 0.68 2.92 -7.23 -0.07 -1.40 120.40 118.07 1rxc s VAL 24 Ca 0.42 -3.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.32 1rxc s VAL 24 Cb -0.19 -2.29 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 1rxc s VAL 24 CO 0.21 -0.95 1.07 -2.16 -0.31 0.00 0.00 175.10 172.97 1rxc s PRO 25 N -0.27 3.06 0.07 4.82 0.04 -1.25 -3.55 135.00 137.91 1rxc s PRO 25 Ca 0.21 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1rxc s PRO 25 Cb -0.16 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.09 1rxc s PRO 25 CO -0.07 -0.92 1.14 0.78 0.04 0.00 0.00 177.00 177.98 1rxc h GLY 26 N -0.57 0.58 -6.34 0.56 0.00 -1.84 -1.79 103.07 93.67 1rxc h GLY 26 Ca -0.45 -1.23 -0.60 0.00 0.00 0.00 0.00 47.33 45.05 1rxc h GLY 26 CO 0.63 1.08 0.02 -0.35 0.00 0.00 0.00 176.54 177.92 1rxc s ASP 27 N -7.32 6.56 0.50 0.19 3.68 -1.26 -1.58 116.67 117.44 1rxc s ASP 27 Ca -0.08 0.67 0.26 0.00 2.13 0.00 0.00 52.55 55.53 1rxc s ASP 27 Cb 0.06 -2.31 1.34 0.00 -1.45 0.00 0.00 42.92 40.57 1rxc s ASP 27 CO 0.91 -0.25 1.91 -0.65 0.13 0.00 0.00 175.17 177.22 1rxc h PRO 28 N 7.64 0.12 0.00 4.34 0.11 -1.87 -1.99 132.00 140.35 1rxc h PRO 28 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1rxc h PRO 28 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rxc h PRO 28 CO 0.74 0.08 0.00 -0.44 -0.21 0.00 0.00 178.00 178.18 1rxc h ASP 29 N 0.13 0.00 1.83 -2.05 3.32 -1.96 -3.09 116.42 114.59 1rxc h ASP 29 Ca 0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 1rxc h ASP 29 Cb 1.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 1rxc h ASP 29 CO -0.06 0.00 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.28 1rxc h ARG 30 N 0.00 0.00 -0.55 3.56 2.43 -1.77 -3.36 114.38 114.69 1rxc h ARG 30 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1rxc h ARG 30 Cb 0.73 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1rxc h ARG 30 CO 0.00 0.09 0.32 0.28 -1.51 0.00 0.00 179.97 179.15 1rxc h VAL 31 N 0.00 1.04 -0.44 0.20 2.07 -1.61 -2.16 116.25 115.36 1rxc h VAL 31 Ca -0.00 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1rxc h VAL 31 Cb 1.03 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1rxc h VAL 31 CO 0.01 0.12 -0.16 -0.08 0.02 0.00 0.00 177.57 177.48 1rxc h GLU 32 N 0.63 0.83 -0.81 1.57 4.81 -1.78 -1.84 114.58 117.99 1rxc h GLU 32 Ca 0.22 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1rxc h GLU 32 Cb 0.04 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1rxc h GLU 32 CO -0.11 0.93 0.50 0.87 -0.73 0.00 0.00 179.01 180.48 1rxc h LYS 33 N 0.74 1.10 -0.03 1.92 6.56 -1.62 -1.12 116.57 124.10 1rxc h LYS 33 Ca 0.11 -0.09 -0.12 0.00 -1.06 0.00 0.00 60.65 59.50 1rxc h LYS 33 Cb 0.67 -0.23 0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1rxc h LYS 33 CO 0.05 0.76 -0.43 0.82 -2.06 0.00 0.00 179.45 178.58 1rxc h ILE 34 N 1.12 1.44 -0.01 1.86 2.04 -1.17 -3.11 117.51 119.68 1rxc h ILE 34 Ca 0.29 -1.91 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 1rxc h ILE 34 Cb -0.06 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1rxc h ILE 34 CO -0.06 0.55 -0.02 0.00 0.00 0.00 0.00 178.15 178.63 1rxc h ALA 35 N 0.36 1.96 0.00 1.87 0.00 -1.20 -2.83 119.26 119.42 1rxc h ALA 35 Ca -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rxc h ALA 35 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1rxc h ALA 35 CO 0.09 0.03 -0.24 0.00 0.00 0.00 0.00 179.25 179.14 1rxc h ALA 36 N 1.97 1.35 0.00 0.00 0.00 -1.13 -2.07 119.26 119.39 1rxc h ALA 36 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rxc h ALA 36 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rxc h ALA 36 CO 0.00 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1rxc n LEU 37 N -3.89 0.22 0.00 0.00 4.77 -1.07 -4.84 117.00 112.20 1rxc n LEU 37 Ca -0.02 0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 56.33 1rxc n LEU 37 Cb 0.32 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1rxc n LEU 37 CO 0.35 -0.19 0.13 0.23 -1.33 0.00 0.00 177.39 176.58 1rxc n MET 38 N -1.72 0.84 -3.71 3.23 2.81 -0.78 -5.13 117.12 112.66 1rxc n MET 38 Ca 0.05 -2.34 -0.29 0.00 -1.81 0.00 0.00 57.70 53.31 1rxc n MET 38 Cb 0.28 0.09 -0.04 0.00 -0.71 0.00 0.00 33.22 32.85 1rxc n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxc s ASP 39 N -3.38 6.41 -1.49 7.83 -0.00 -0.75 -4.55 116.67 120.73 1rxc s ASP 39 Ca 0.30 0.44 -0.06 0.00 -0.00 0.00 0.00 52.55 53.23 1rxc s ASP 39 Cb -0.02 -2.03 0.05 0.00 -0.00 0.00 0.00 42.92 40.92 1rxc s ASP 39 CO 0.19 0.01 0.59 0.29 -0.00 0.00 0.00 175.17 176.25 1rxc n LYS 40 N -0.34 -3.61 -1.96 8.23 4.76 -1.26 -0.28 118.16 123.69 1rxc n LYS 40 Ca -0.04 0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 55.41 1rxc n LYS 40 Cb 0.53 -4.82 -0.03 0.00 -1.84 0.00 0.00 35.03 28.87 1rxc n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1rxc s PRO 41 N -6.62 4.23 -0.07 1.97 0.04 -1.26 -4.45 135.00 128.84 1rxc s PRO 41 Ca 0.26 2.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.61 1rxc s PRO 41 Cb -0.14 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.29 1rxc s PRO 41 CO 0.89 -0.56 0.16 0.08 0.04 0.00 0.00 177.00 177.61 1rxc s VAL 42 N 0.86 -0.04 -0.07 -0.36 1.01 0.06 -5.00 120.40 116.86 1rxc s VAL 42 Ca 0.67 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1rxc s VAL 42 Cb -0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1rxc s VAL 42 CO 0.34 0.06 1.04 -0.75 0.00 0.00 0.00 175.10 175.79 1rxc s LYS 43 N 1.05 4.43 -0.20 2.72 2.20 -1.26 -0.51 119.74 128.18 1rxc s LYS 43 Ca -0.08 1.46 -0.09 0.00 -0.36 0.00 0.00 55.97 56.90 1rxc s LYS 43 Cb -0.10 -3.52 -0.20 0.00 -1.51 0.00 0.00 37.83 32.49 1rxc s LYS 43 CO -0.06 -0.29 0.09 1.28 -0.36 0.00 0.00 175.35 176.01 1rxc n LEU 44 N 4.81 2.46 -3.62 5.43 4.77 0.02 -4.93 117.00 125.94 1rxc n LEU 44 Ca 0.09 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 1rxc n LEU 44 Cb 0.49 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1rxc n LEU 44 CO 0.53 0.71 0.82 0.00 -1.33 0.00 0.00 177.39 178.12 1rxc s ALA 45 N -2.50 -1.89 -0.27 -1.18 0.00 -1.07 -5.01 121.76 109.85 1rxc s ALA 45 Ca -0.29 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 1rxc s ALA 45 Cb 0.08 0.38 0.16 0.00 0.00 0.00 0.00 23.12 23.74 1rxc s ALA 45 CO 0.65 -0.85 0.50 0.45 0.00 0.00 0.00 175.76 176.50 1rxc s SER 46 N -2.67 -0.61 -0.03 0.00 0.15 -1.26 -1.02 113.70 108.27 1rxc s SER 46 Ca 0.10 0.63 0.02 0.00 0.70 0.00 0.00 55.95 57.39 1rxc s SER 46 Cb -0.00 1.67 0.01 0.00 -1.71 0.00 0.00 66.02 65.99 1rxc s SER 46 CO -0.04 -0.27 -0.07 -1.00 1.20 0.00 0.00 173.24 173.06 1rxc s HIS 47 N 2.71 0.84 0.00 3.44 3.76 -0.31 -4.99 115.29 120.74 1rxc s HIS 47 Ca 0.15 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1rxc s HIS 47 Cb -0.15 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 32.89 1rxc s HIS 47 CO -0.18 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 1rxc n ARG 48 N 3.58 0.00 0.00 1.40 1.74 -1.26 -0.75 116.66 121.37 1rxc n ARG 48 Ca -0.21 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 56.99 1rxc n ARG 48 Cb 0.53 0.00 0.69 0.00 -1.02 0.00 0.00 32.46 32.66 1rxc n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxc n GLU 49 N 14.00 0.92 -3.36 5.56 0.00 -1.26 -4.69 120.64 131.81 1rxc n GLU 49 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.72 1rxc n GLU 49 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 31.44 29.97 1rxc n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxc s PHE 50 N -2.00 3.22 -0.15 -1.84 0.08 0.07 -3.81 117.98 113.55 1rxc s PHE 50 Ca 0.35 -0.83 -0.00 0.00 0.12 0.00 0.00 56.93 56.57 1rxc s PHE 50 Cb 0.16 -3.15 -0.01 0.00 -0.57 0.00 0.00 43.02 39.45 1rxc s PHE 50 CO 0.27 -0.80 -0.13 0.99 -0.10 0.00 0.00 175.22 175.45 1rxc s THR 51 N 1.79 2.97 -0.09 0.64 2.01 -1.26 -1.17 115.64 120.53 1rxc s THR 51 Ca 0.06 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.42 1rxc s THR 51 Cb -0.23 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 1rxc s THR 51 CO 0.08 0.51 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.40 1rxc s THR 52 N 0.60 1.93 0.29 -0.82 2.01 -0.19 -1.50 115.64 117.96 1rxc s THR 52 Ca -0.08 -0.95 0.11 0.00 0.31 0.00 0.00 61.69 61.08 1rxc s THR 52 Cb -0.16 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1rxc s THR 52 CO 0.03 0.53 -0.15 0.26 -0.69 0.00 0.00 174.62 174.60 1rxc s TRP 53 N 0.28 2.37 0.00 4.92 0.52 -0.06 -0.80 118.94 126.17 1rxc s TRP 53 Ca -0.15 -0.34 0.08 0.00 0.02 0.00 0.00 56.10 55.71 1rxc s TRP 53 Cb -0.17 -1.08 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 1rxc s TRP 53 CO 0.07 0.68 -0.26 0.50 0.02 0.00 0.00 176.95 177.96 1rxc s ARG 54 N -3.55 1.99 0.00 4.98 3.52 0.34 -1.75 118.95 124.48 1rxc s ARG 54 Ca 0.31 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1rxc s ARG 54 Cb -0.04 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1rxc s ARG 54 CO 0.16 0.54 0.00 0.00 -0.81 0.00 0.00 175.30 175.19 1rxc n ALA 55 N 2.21 0.00 -3.76 6.12 0.00 -0.30 -0.76 120.51 124.03 1rxc n ALA 55 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1rxc n ALA 55 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1rxc n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxc s GLU 56 N -1.07 -0.01 -0.16 0.00 2.12 0.61 -1.53 118.70 118.66 1rxc s GLU 56 Ca 0.00 0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.56 1rxc s GLU 56 Cb 0.00 -0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.19 1rxc s GLU 56 CO 0.00 -0.17 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.31 1rxc s LEU 57 N 1.12 1.59 -1.49 2.70 2.96 0.03 -1.81 118.68 123.78 1rxc s LEU 57 Ca -0.09 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1rxc s LEU 57 Cb -0.13 -0.94 0.04 0.00 0.50 0.00 0.00 46.19 45.67 1rxc s LEU 57 CO -0.04 -0.16 0.48 0.47 -1.32 0.00 0.00 176.35 175.78 1rxc n ASP 58 N 4.87 -1.00 0.00 3.68 8.00 -1.26 -1.34 116.55 129.50 1rxc n ASP 58 Ca -0.12 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1rxc n ASP 58 Cb 0.48 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 1rxc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxc n GLY 59 N -1.89 0.39 3.46 0.44 0.00 -1.26 -5.01 105.19 101.32 1rxc n GLY 59 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1rxc n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxc s LYS 60 N -0.71 2.99 0.26 1.61 1.02 -0.45 -5.07 119.74 119.39 1rxc s LYS 60 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 1rxc s LYS 60 Cb 0.00 -2.57 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1rxc s LYS 60 CO 0.00 0.44 1.45 -1.25 -0.92 0.00 0.00 175.35 175.07 1rxc s PRO 61 N -0.24 4.25 0.01 -1.68 0.04 -1.26 -0.79 135.00 135.33 1rxc s PRO 61 Ca 0.02 2.33 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1rxc s PRO 61 Cb -0.13 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1rxc s PRO 61 CO 0.03 -0.43 -0.05 0.08 0.04 0.00 0.00 177.00 176.67 1rxc s VAL 62 N -0.08 0.35 -0.13 -0.36 1.01 -0.58 -4.42 120.40 116.19 1rxc s VAL 62 Ca 0.59 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1rxc s VAL 62 Cb -0.42 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1rxc s VAL 62 CO 0.45 -0.09 0.02 -0.63 0.00 0.00 0.00 175.10 174.85 1rxc s ILE 63 N -0.56 4.47 -0.15 2.22 -1.09 -0.57 -1.14 121.20 124.38 1rxc s ILE 63 Ca -0.03 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1rxc s ILE 63 Cb -0.05 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 1rxc s ILE 63 CO -0.00 0.54 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.45 1rxc s VAL 64 N -0.31 3.12 -0.13 2.92 1.01 -0.72 0.13 120.40 126.42 1rxc s VAL 64 Ca 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1rxc s VAL 64 Cb -0.12 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1rxc s VAL 64 CO 0.02 0.50 0.29 0.00 0.00 0.00 0.00 175.10 175.91 1rxc s SER 66 N 2.03 6.86 -0.02 0.00 1.04 -0.56 -3.86 113.70 119.18 1rxc s SER 66 Ca -0.03 1.94 0.21 0.00 0.48 0.00 0.00 55.95 58.55 1rxc s SER 66 Cb -0.11 -2.58 -0.26 0.00 0.10 0.00 0.00 66.02 63.18 1rxc s SER 66 CO -0.09 -0.42 0.53 0.35 0.98 0.00 0.00 173.24 174.59 1rxc n THR 67 N -0.10 0.44 -0.66 2.02 -2.24 -0.67 -4.29 114.28 108.78 1rxc n THR 67 Ca 0.05 -0.59 0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1rxc n THR 67 Cb 0.50 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1rxc n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxc n GLY 68 N 1.34 -1.58 3.72 3.38 0.00 -0.61 -3.74 105.19 107.69 1rxc n GLY 68 Ca -0.09 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1rxc n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 69 N -1.60 4.48 0.00 -0.61 1.01 -1.26 -4.70 121.20 118.52 1rxc s ILE 69 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1rxc s ILE 69 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1rxc s ILE 69 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1rxc n GLY 70 N 2.83 2.48 0.29 6.18 0.00 -1.26 -4.69 105.19 111.01 1rxc n GLY 70 Ca 0.06 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 1rxc n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxc h GLY 71 N 0.00 1.08 0.38 -0.02 0.00 -1.88 -2.45 103.07 100.18 1rxc h GLY 71 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 47.33 46.44 1rxc h GLY 71 CO 0.00 0.84 -0.33 -2.55 0.00 0.00 0.00 176.54 174.50 1rxc h PRO 72 N 0.87 -0.51 -0.07 4.80 0.11 -1.96 0.84 132.00 136.08 1rxc h PRO 72 Ca 0.12 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 1rxc h PRO 72 Cb 0.75 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1rxc h PRO 72 CO 0.06 -0.34 -0.45 0.66 -0.21 0.00 0.00 178.00 177.72 1rxc h SER 73 N -0.53 0.18 -0.53 -2.05 4.64 -1.82 -2.06 113.55 111.39 1rxc h SER 73 Ca 0.04 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1rxc h SER 73 Cb 0.58 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 1rxc h SER 73 CO -0.22 0.61 0.34 0.74 -0.87 0.00 0.00 176.83 177.42 1rxc h THR 74 N 0.14 1.11 -0.02 2.95 2.02 -0.92 -1.59 112.91 116.59 1rxc h THR 74 Ca 0.01 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1rxc h THR 74 Cb 0.85 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1rxc h THR 74 CO 0.07 0.12 -0.20 0.77 0.37 0.00 0.00 175.52 176.65 1rxc h SER 75 N 0.68 0.04 0.03 4.18 4.64 0.12 -1.36 113.55 121.89 1rxc h SER 75 Ca 0.20 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1rxc h SER 75 Cb -0.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1rxc h SER 75 CO -0.06 0.24 -0.02 0.40 -0.87 0.00 0.00 176.83 176.53 1rxc h ILE 76 N 0.04 1.35 -0.68 0.95 2.04 -1.07 -2.71 117.51 117.43 1rxc h ILE 76 Ca 0.01 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1rxc h ILE 76 Cb 0.38 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1rxc h ILE 76 CO 0.03 0.32 0.42 0.00 0.00 0.00 0.00 178.15 178.92 1rxc h ALA 77 N 0.31 0.89 -0.25 1.87 0.00 -0.95 -1.98 119.26 119.16 1rxc h ALA 77 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1rxc h ALA 77 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rxc h ALA 77 CO 0.01 0.18 -0.15 0.28 0.00 0.00 0.00 179.25 179.57 1rxc h VAL 78 N 0.82 1.30 -0.60 0.00 2.07 -1.35 -1.33 116.25 117.16 1rxc h VAL 78 Ca 0.28 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1rxc h VAL 78 Cb 0.03 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1rxc h VAL 78 CO -0.11 0.39 0.37 -0.08 0.02 0.00 0.00 177.57 178.16 1rxc h GLU 79 N 0.27 0.72 0.04 1.57 4.57 -1.26 -0.89 114.58 119.60 1rxc h GLU 79 Ca 0.05 -0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 57.93 1rxc h GLU 79 Cb 0.67 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1rxc h GLU 79 CO 0.04 0.47 -1.07 0.93 -1.18 0.00 0.00 179.01 178.21 1rxc h GLU 80 N 0.74 0.50 -0.96 1.92 5.08 -1.33 -1.55 114.58 118.98 1rxc h GLU 80 Ca 0.24 -0.60 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1rxc h GLU 80 Cb -0.00 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1rxc h GLU 80 CO -0.09 1.23 0.63 -0.07 -1.00 0.00 0.00 179.01 179.71 1rxc h LEU 81 N 0.26 1.11 -1.09 1.33 3.38 -1.14 -2.23 115.31 116.93 1rxc h LEU 81 Ca -0.12 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1rxc h LEU 81 Cb 1.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1rxc h LEU 81 CO 0.19 0.81 -0.21 0.00 0.09 0.00 0.00 178.44 179.32 1rxc h ALA 82 N 1.35 1.24 -0.27 1.53 0.00 -0.97 -1.29 119.26 120.85 1rxc h ALA 82 Ca 0.35 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1rxc h ALA 82 Cb -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1rxc h ALA 82 CO -0.08 0.50 -0.02 1.96 0.00 0.00 0.00 179.25 181.61 1rxc h GLN 83 N 0.35 0.42 -0.00 0.00 4.20 -0.72 -2.81 115.11 116.54 1rxc h GLN 83 Ca 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1rxc h GLN 83 Cb 0.58 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1rxc h GLN 83 CO 0.04 0.47 -0.22 1.28 -0.67 0.00 0.00 178.83 179.73 1rxc n LEU 84 N -4.30 0.63 0.00 1.46 7.99 -0.58 -4.94 117.00 117.26 1rxc n LEU 84 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1rxc n LEU 84 Cb 0.23 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1rxc n LEU 84 CO 0.38 0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 1rxc n GLY 85 N 1.35 1.02 3.73 -0.72 0.00 -0.65 -4.86 105.19 105.07 1rxc n GLY 85 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1rxc n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 86 N -2.00 3.09 0.00 -0.61 -1.09 -0.76 -4.42 121.20 115.41 1rxc s ILE 86 Ca 0.00 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 1rxc s ILE 86 Cb 0.00 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1rxc s ILE 86 CO 0.00 0.11 0.00 0.54 -1.23 0.00 0.00 174.94 174.36 1rxc n ARG 87 N 2.96 4.14 -4.98 2.79 5.12 0.59 -4.24 116.66 123.05 1rxc n ARG 87 Ca 0.08 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.72 1rxc n ARG 87 Cb 0.42 -0.62 -0.16 0.00 -1.16 0.00 0.00 32.46 30.93 1rxc n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxc s THR 88 N -1.20 1.65 -0.08 0.55 2.01 -0.68 -1.38 115.64 116.51 1rxc s THR 88 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1rxc s THR 88 Cb 0.00 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1rxc s THR 88 CO 0.00 0.47 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.95 1rxc s PHE 89 N 0.07 1.34 -0.28 4.92 0.08 0.32 -1.49 117.98 122.95 1rxc s PHE 89 Ca -0.06 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.45 1rxc s PHE 89 Cb -0.13 -1.08 0.07 0.00 -0.57 0.00 0.00 43.02 41.31 1rxc s PHE 89 CO 0.03 -0.38 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.20 1rxc s LEU 90 N 1.24 3.76 0.10 -0.37 1.43 -0.72 -0.81 118.68 123.30 1rxc s LEU 90 Ca -0.04 -1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 51.16 1rxc s LEU 90 Cb -0.14 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1rxc s LEU 90 CO -0.03 -0.24 1.05 -0.60 0.23 0.00 0.00 176.35 176.76 1rxc s ARG 91 N 1.06 4.59 -0.15 1.70 3.52 -0.56 -0.90 118.95 128.21 1rxc s ARG 91 Ca -0.03 1.58 0.02 0.00 -0.13 0.00 0.00 55.73 57.16 1rxc s ARG 91 Cb -0.20 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1rxc s ARG 91 CO -0.06 0.04 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.77 1rxc s ILE 92 N 0.31 1.96 0.20 4.11 -1.16 -1.23 -1.73 121.20 123.66 1rxc s ILE 92 Ca 0.51 -0.90 0.04 0.00 -0.51 0.00 0.00 60.65 59.78 1rxc s ILE 92 Cb -0.26 -1.76 -0.01 0.00 0.61 0.00 0.00 42.46 41.04 1rxc s ILE 92 CO 0.31 0.53 0.13 0.61 -2.81 0.00 0.00 174.94 173.71 1rxc n GLY 93 N 4.38 3.48 3.46 1.50 0.00 -0.61 -3.87 105.19 113.53 1rxc n GLY 93 Ca -0.20 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 1rxc n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxc s THR 94 N -2.63 2.62 0.07 2.61 -4.23 -1.26 -1.49 115.64 111.32 1rxc s THR 94 Ca 0.18 -1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1rxc s THR 94 Cb 0.01 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.64 1rxc s THR 94 CO 0.13 -0.06 0.42 0.28 -0.54 0.00 0.00 174.62 174.85 1rxc s THR 95 N -1.52 0.06 -0.24 3.99 -1.32 -0.34 -4.83 115.64 111.44 1rxc s THR 95 Ca 0.20 -0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 60.13 1rxc s THR 95 Cb -0.09 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1rxc s THR 95 CO 0.11 -0.26 0.08 -0.83 -2.21 0.00 0.00 174.62 171.50 1rxc s GLY 96 N -2.28 1.80 0.39 6.08 0.00 -1.01 -1.38 107.32 110.93 1rxc s GLY 96 Ca -0.02 -1.06 -0.24 0.00 0.00 0.00 0.00 44.72 43.39 1rxc s GLY 96 CO -0.06 0.46 1.04 0.00 0.00 0.00 0.00 173.10 174.55 1rxc s ALA 97 N 1.42 3.10 -0.74 3.20 0.00 0.05 -0.61 121.76 128.19 1rxc s ALA 97 Ca 0.06 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.77 1rxc s ALA 97 Cb -0.15 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1rxc s ALA 97 CO 0.04 -0.18 0.75 0.44 0.00 0.00 0.00 175.76 176.81 1rxc n ILE 98 N 0.00 0.12 -4.11 0.00 -5.35 -0.48 -0.35 119.36 109.20 1rxc n ILE 98 Ca 0.05 -0.56 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 1rxc n ILE 98 Cb 0.50 1.05 -0.08 0.00 -1.74 0.00 0.00 39.64 39.36 1rxc n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxc s GLN 99 N -0.57 3.33 0.50 6.28 -1.52 -1.25 -4.74 119.66 121.69 1rxc s GLN 99 Ca 0.08 -0.28 0.22 0.00 -1.95 0.00 0.00 55.36 53.42 1rxc s GLN 99 Cb 0.05 -3.03 1.30 0.00 -0.22 0.00 0.00 33.01 31.12 1rxc s GLN 99 CO 0.08 0.67 2.07 -1.00 -0.25 0.00 0.00 175.29 176.85 1rxc h PRO 100 N 5.32 0.00 -0.00 2.91 0.13 -1.96 -2.78 132.00 135.62 1rxc h PRO 100 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1rxc h PRO 100 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rxc h PRO 100 CO 0.58 0.13 -0.19 -2.39 -0.23 0.00 0.00 178.00 175.90 1rxc n HIS 101 N -4.00 0.00 -3.36 1.56 1.44 -1.26 -4.79 115.22 104.82 1rxc n HIS 101 Ca -0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 1rxc n HIS 101 Cb 0.21 -0.22 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 1rxc n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxc s ILE 102 N -2.63 5.13 0.36 0.61 1.01 -1.05 -5.06 121.20 119.56 1rxc s ILE 102 Ca 0.23 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 1rxc s ILE 102 Cb 0.19 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1rxc s ILE 102 CO 0.53 -0.05 0.59 0.20 0.00 0.00 0.00 174.94 176.21 1rxc s ASN 103 N 1.71 6.33 0.34 3.58 0.01 -1.26 -4.87 114.94 120.78 1rxc s ASN 103 Ca 0.15 0.61 -0.29 0.00 -0.71 0.00 0.00 52.86 52.62 1rxc s ASN 103 Cb -0.16 -2.10 -0.11 0.00 0.41 0.00 0.00 41.25 39.28 1rxc s ASN 103 CO 0.12 -0.32 1.54 0.52 -1.51 0.00 0.00 177.10 177.45 1rxc n VAL 104 N -1.64 1.54 0.00 1.60 0.31 -1.26 -1.99 118.33 116.90 1rxc n VAL 104 Ca -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1rxc n VAL 104 Cb 0.55 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1rxc n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxc n GLY 105 N 1.25 3.39 3.76 2.92 0.00 -0.28 -5.00 105.19 111.23 1rxc n GLY 105 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1rxc n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxc s ASP 106 N -0.97 4.60 -0.13 1.61 1.11 -0.84 -4.74 116.67 117.31 1rxc s ASP 106 Ca 0.00 1.99 -0.00 0.00 0.18 0.00 0.00 52.55 54.72 1rxc s ASP 106 Cb 0.00 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 1rxc s ASP 106 CO 0.00 -1.97 -0.13 -0.69 1.18 0.00 0.00 175.17 173.55 1rxc s VAL 107 N -2.53 3.03 -0.13 -1.27 1.01 -0.88 -1.60 120.40 118.03 1rxc s VAL 107 Ca 0.66 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1rxc s VAL 107 Cb -0.20 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1rxc s VAL 107 CO 0.48 0.52 -0.13 -0.76 0.00 0.00 0.00 175.10 175.22 1rxc s LEU 108 N 0.38 2.74 -0.20 3.92 1.43 -0.42 -1.39 118.68 125.13 1rxc s LEU 108 Ca -0.11 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1rxc s LEU 108 Cb -0.16 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1rxc s LEU 108 CO 0.05 0.18 -0.04 -0.69 0.23 0.00 0.00 176.35 176.08 1rxc s VAL 109 N 0.29 3.55 -0.36 -1.59 1.01 -0.53 -1.27 120.40 121.51 1rxc s VAL 109 Ca -0.10 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1rxc s VAL 109 Cb -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1rxc s VAL 109 CO 0.05 0.43 0.60 -0.89 0.00 0.00 0.00 175.10 175.30 1rxc s THR 110 N 1.19 4.92 0.09 3.92 2.01 -0.36 -2.16 115.64 125.25 1rxc s THR 110 Ca 0.02 0.48 -0.15 0.00 0.31 0.00 0.00 61.69 62.36 1rxc s THR 110 Cb -0.14 -4.05 -0.11 0.00 0.01 0.00 0.00 72.50 68.21 1rxc s THR 110 CO -0.00 -0.30 1.38 0.71 -0.69 0.00 0.00 174.62 175.71 1rxc h THR 111 N 5.67 1.31 -2.83 -0.82 1.35 -1.68 -3.41 112.91 112.51 1rxc h THR 111 Ca -0.27 -1.57 0.02 0.00 -0.55 0.00 0.00 66.41 64.05 1rxc h THR 111 Cb 1.11 1.72 -0.12 0.00 -1.73 0.00 0.00 68.15 69.14 1rxc h THR 111 CO 0.82 0.50 0.28 0.00 -0.25 0.00 0.00 175.52 176.87 1rxc s ALA 112 N -4.18 -1.61 -0.01 6.62 0.00 -1.26 -0.77 121.76 120.56 1rxc s ALA 112 Ca -0.12 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1rxc s ALA 112 Cb 0.08 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1rxc s ALA 112 CO 0.84 -0.79 -0.24 -1.12 0.00 0.00 0.00 175.76 174.45 1rxc s SER 113 N -2.72 2.76 -0.10 0.00 0.01 -0.24 -2.15 113.70 111.26 1rxc s SER 113 Ca 0.03 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1rxc s SER 113 Cb -0.02 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1rxc s SER 113 CO -0.09 0.28 1.33 -0.69 0.41 0.00 0.00 173.24 174.48 1rxc s VAL 114 N -0.58 4.08 -1.01 3.43 1.01 0.11 -4.34 120.40 123.10 1rxc s VAL 114 Ca 0.09 1.35 -0.21 0.00 0.00 0.00 0.00 61.98 63.21 1rxc s VAL 114 Cb -0.09 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1rxc s VAL 114 CO -0.01 -0.08 1.36 -0.13 0.00 0.00 0.00 175.10 176.25 1rxc s ARG 115 N 3.16 3.64 -0.55 2.72 0.52 -1.26 -1.44 118.95 125.73 1rxc s ARG 115 Ca 0.59 -1.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1rxc s ARG 115 Cb -0.26 -5.22 0.50 0.00 0.52 0.00 0.00 34.95 30.50 1rxc s ARG 115 CO 0.20 -2.06 1.87 1.28 0.02 0.00 0.00 175.30 176.61 1rxc n LEU 116 N 7.99 6.93 -4.61 2.53 4.77 0.12 -4.98 117.00 129.75 1rxc n LEU 116 Ca 0.31 -4.18 -0.28 0.00 -0.03 0.00 0.00 56.01 51.84 1rxc n LEU 116 Cb 0.50 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 1rxc n LEU 116 CO 0.61 1.45 -0.27 1.51 -1.33 0.00 0.00 177.39 179.37 1rxc s ASP 117 N -2.00 3.53 -0.16 -1.43 3.84 -1.22 -1.67 116.67 117.57 1rxc s ASP 117 Ca 0.60 -1.47 0.18 0.00 -0.00 0.00 0.00 52.55 51.86 1rxc s ASP 117 Cb 0.48 -0.01 -0.25 0.00 -1.38 0.00 0.00 42.92 41.76 1rxc s ASP 117 CO 0.02 -0.63 0.15 0.61 -0.00 0.00 0.00 175.17 175.32 1rxc n GLY 118 N -0.98 -0.94 0.24 2.12 0.00 -1.26 -4.69 105.19 99.67 1rxc n GLY 118 Ca -0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1rxc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc h ALA 119 N 1.14 0.67 -0.56 4.61 0.00 -1.98 -2.68 119.26 120.46 1rxc h ALA 119 Ca -0.41 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.11 1rxc h ALA 119 Cb 1.92 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1rxc h ALA 119 CO 0.02 0.67 0.38 0.66 0.00 0.00 0.00 179.25 180.98 1rxc h SER 120 N 0.56 0.35 0.61 0.00 4.64 -1.86 0.62 113.55 118.47 1rxc h SER 120 Ca 0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1rxc h SER 120 Cb 1.03 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1rxc h SER 120 CO 0.10 0.22 0.00 -0.07 -0.87 0.00 0.00 176.83 176.20 1rxc h LEU 121 N 0.39 0.00 -0.01 5.97 3.38 -1.57 -0.74 115.31 122.73 1rxc h LEU 121 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1rxc h LEU 121 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rxc h LEU 121 CO -0.07 0.00 -0.04 1.41 0.09 0.00 0.00 178.44 179.83 1rxc n HIS 122 N -2.54 0.00 -0.03 1.13 8.25 0.21 -4.05 115.22 118.19 1rxc n HIS 122 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1rxc n HIS 122 Cb 0.20 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 1rxc n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxc n PHE 123 N -1.41 0.00 -3.67 4.41 3.72 -0.64 -5.08 117.46 114.78 1rxc n PHE 123 Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 1rxc n PHE 123 Cb 0.31 -0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 1rxc n PHE 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxc s ALA 124 N -2.12 -1.26 0.87 4.37 0.00 -0.38 -5.03 121.76 118.21 1rxc s ALA 124 Ca -0.05 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1rxc s ALA 124 Cb 0.02 -0.31 0.12 0.00 0.00 0.00 0.00 23.12 22.95 1rxc s ALA 124 CO 0.17 -0.29 1.11 -1.25 0.00 0.00 0.00 175.76 175.50 1rxc s PRO 125 N -0.67 1.44 0.50 0.00 0.04 -1.26 -3.78 135.00 131.27 1rxc s PRO 125 Ca -0.08 1.22 0.21 0.00 0.04 0.00 0.00 61.00 62.39 1rxc s PRO 125 Cb -0.03 -1.80 1.27 0.00 0.04 0.00 0.00 34.50 33.98 1rxc s PRO 125 CO 0.05 -2.23 1.99 1.25 0.04 0.00 0.00 177.00 178.10 1rxc h LEU 126 N -1.56 0.12 -2.10 -3.56 5.85 -1.93 -1.14 115.31 110.99 1rxc h LEU 126 Ca -0.46 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1rxc h LEU 126 Cb 1.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1rxc h LEU 126 CO 0.48 0.07 -0.08 1.05 -0.34 0.00 0.00 178.44 179.63 1rxc h GLU 127 N 0.13 0.00 -6.60 1.25 9.09 -2.03 -3.43 114.58 113.00 1rxc h GLU 127 Ca 0.26 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.14 1rxc h GLU 127 Cb 0.84 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.96 1rxc h GLU 127 CO -0.03 0.08 0.68 0.12 0.05 0.00 0.00 179.01 179.90 1rxc s PHE 128 N -4.25 3.27 0.02 2.06 5.36 -0.43 -4.97 117.98 119.04 1rxc s PHE 128 Ca -0.03 1.10 -0.30 0.00 -0.96 0.00 0.00 56.93 56.74 1rxc s PHE 128 Cb 0.13 -3.62 -0.04 0.00 -0.34 0.00 0.00 43.02 39.15 1rxc s PHE 128 CO 0.56 -2.06 1.09 -1.25 -1.46 0.00 0.00 175.22 172.10 1rxc s PRO 129 N 0.57 4.49 -1.12 10.12 0.04 -1.26 -4.93 135.00 142.91 1rxc s PRO 129 Ca 0.61 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1rxc s PRO 129 Cb -0.36 -3.41 -0.06 0.00 0.04 0.00 0.00 34.50 30.71 1rxc s PRO 129 CO 0.34 -0.16 1.99 0.00 0.04 0.00 0.00 177.00 179.20 1rxc n ALA 130 N 3.99 3.76 -2.82 8.56 0.00 -1.26 -4.76 120.51 127.97 1rxc n ALA 130 Ca 0.08 -3.51 -0.36 0.00 0.00 0.00 0.00 53.44 49.64 1rxc n ALA 130 Cb 0.49 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 16.28 1rxc n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxc s VAL 131 N 5.37 5.17 0.45 0.00 0.11 -1.26 -1.08 120.40 129.15 1rxc s VAL 131 Ca 0.56 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.48 1rxc s VAL 131 Cb 0.10 -3.25 -0.10 0.00 -1.53 0.00 0.00 36.38 31.60 1rxc s VAL 131 CO 0.05 0.59 0.99 0.00 -3.33 0.00 0.00 175.10 173.40 1rxc s ALA 132 N -0.75 2.98 0.28 1.54 0.00 0.05 -4.71 121.76 121.16 1rxc s ALA 132 Ca 0.13 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1rxc s ALA 132 Cb -0.12 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1rxc s ALA 132 CO 0.03 -0.06 1.58 0.34 0.00 0.00 0.00 175.76 177.65 1rxc s ASP 133 N -2.05 6.40 0.21 0.00 -1.08 -0.38 -4.92 116.67 114.85 1rxc s ASP 133 Ca 0.63 2.91 -0.08 0.00 -0.52 0.00 0.00 52.55 55.50 1rxc s ASP 133 Cb -0.13 -2.63 0.14 0.00 -1.46 0.00 0.00 42.92 38.84 1rxc s ASP 133 CO 0.17 -0.89 1.75 0.15 0.52 0.00 0.00 175.17 176.87 1rxc h PHE 134 N 4.95 1.20 -0.36 -5.34 3.04 -1.95 -1.24 116.94 117.25 1rxc h PHE 134 Ca -0.47 -0.11 -0.13 0.00 3.98 0.00 0.00 57.97 61.24 1rxc h PHE 134 Cb 1.22 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 1rxc h PHE 134 CO 0.59 0.93 -0.29 0.93 -2.02 0.00 0.00 178.31 178.46 1rxc h GLU 135 N 1.13 0.83 -0.37 1.11 5.08 -1.95 0.63 114.58 121.04 1rxc h GLU 135 Ca 0.25 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1rxc h GLU 135 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1rxc h GLU 135 CO -0.01 1.05 0.18 0.00 -1.00 0.00 0.00 179.01 179.23 1rxc h THR 137 N 0.46 1.20 -0.98 0.00 2.02 -1.17 -1.50 112.91 112.94 1rxc h THR 137 Ca 0.13 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.70 1rxc h THR 137 Cb 0.11 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1rxc h THR 137 CO -0.02 0.23 0.65 0.74 0.37 0.00 0.00 175.52 177.49 1rxc h THR 138 N 0.62 1.25 -0.47 3.16 2.02 -0.68 -1.95 112.91 116.87 1rxc h THR 138 Ca 0.16 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1rxc h THR 138 Cb 0.17 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1rxc h THR 138 CO -0.01 0.25 -0.01 0.00 0.37 0.00 0.00 175.52 176.11 1rxc h ALA 139 N 1.36 1.10 -0.14 6.16 0.00 -0.59 -1.87 119.26 125.28 1rxc h ALA 139 Ca 0.36 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1rxc h ALA 139 Cb -0.15 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1rxc h ALA 139 CO -0.08 0.57 -0.76 -0.07 0.00 0.00 0.00 179.25 178.92 1rxc h LEU 140 N 0.74 0.91 -0.37 0.00 3.38 -0.95 -1.28 115.31 117.74 1rxc h LEU 140 Ca 0.14 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 1rxc h LEU 140 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1rxc h LEU 140 CO 0.02 1.40 -0.06 0.58 0.09 0.00 0.00 178.44 180.47 1rxc h VAL 141 N 0.48 1.27 -0.31 1.22 2.07 -1.30 -0.88 116.25 118.80 1rxc h VAL 141 Ca -0.06 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.22 1rxc h VAL 141 Cb 1.39 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1rxc h VAL 141 CO 0.16 0.37 -0.35 -0.33 0.02 0.00 0.00 177.57 177.44 1rxc h GLU 142 N 0.49 0.69 -0.04 1.57 5.08 -1.40 -2.26 114.58 118.71 1rxc h GLU 142 Ca 0.10 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1rxc h GLU 142 Cb 0.56 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1rxc h GLU 142 CO 0.03 0.94 0.02 0.00 -1.00 0.00 0.00 179.01 179.00 1rxc h ALA 143 N 1.03 0.05 -0.69 3.43 0.00 -1.07 -2.09 119.26 119.92 1rxc h ALA 143 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1rxc h ALA 143 Cb 0.87 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1rxc h ALA 143 CO 0.08 -0.41 0.41 0.00 0.00 0.00 0.00 179.25 179.32 1rxc h ALA 144 N 0.94 0.92 -0.80 0.00 0.00 -1.11 -2.28 119.26 116.93 1rxc h ALA 144 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rxc h ALA 144 Cb 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1rxc h ALA 144 CO -0.00 0.12 0.46 -0.22 0.00 0.00 0.00 179.25 179.61 1rxc h LYS 145 N 0.77 1.10 0.00 0.00 3.64 -1.20 -2.34 116.57 118.53 1rxc h LYS 145 Ca 0.30 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1rxc h LYS 145 Cb 0.12 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1rxc h LYS 145 CO -0.15 0.79 -0.26 0.66 -2.27 0.00 0.00 179.45 178.22 1rxc h SER 146 N 1.12 0.00 0.01 4.20 4.64 -0.82 -3.11 113.55 119.59 1rxc h SER 146 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1rxc h SER 146 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1rxc h SER 146 CO -0.05 0.26 -0.60 2.30 -0.87 0.00 0.00 176.83 177.86 1rxc n ILE 147 N -3.18 0.00 0.00 0.95 -6.64 -0.99 -5.01 119.36 104.48 1rxc n ILE 147 Ca 0.03 -0.18 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 1rxc n ILE 147 Cb 0.61 1.12 0.00 0.00 -1.44 0.00 0.00 39.64 39.94 1rxc n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxc n GLY 148 N 1.44 1.28 3.31 3.28 0.00 -0.90 -5.09 105.19 108.52 1rxc n GLY 148 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1rxc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc n ALA 149 N -0.06 -2.74 -2.61 4.61 0.00 -1.12 -4.93 120.51 113.67 1rxc n ALA 149 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1rxc n ALA 149 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1rxc n ALA 149 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rxc s THR 150 N -1.74 4.75 0.08 0.00 -1.32 -1.26 -4.75 115.64 111.40 1rxc s THR 150 Ca 0.60 1.11 0.09 0.00 -1.21 0.00 0.00 61.69 62.28 1rxc s THR 150 Cb -0.59 -4.18 -0.03 0.00 -1.51 0.00 0.00 72.50 66.19 1rxc s THR 150 CO 0.63 -0.33 -0.24 -0.89 -2.21 0.00 0.00 174.62 171.58 1rxc s THR 151 N 3.05 1.97 -0.01 5.08 2.01 -1.26 -2.08 115.64 124.41 1rxc s THR 151 Ca 0.33 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.89 1rxc s THR 151 Cb -0.14 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1rxc s THR 151 CO 0.14 0.17 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.14 1rxc s HIS 152 N -0.94 0.96 -0.15 4.92 3.76 -0.49 -4.97 115.29 118.40 1rxc s HIS 152 Ca 0.10 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1rxc s HIS 152 Cb -0.10 -0.62 0.02 0.00 1.11 0.00 0.00 32.58 32.99 1rxc s HIS 152 CO 0.03 -0.02 -0.18 0.08 -0.85 0.00 0.00 174.74 173.81 1rxc s VAL 153 N -0.26 1.79 -1.44 -0.90 1.01 -1.26 -1.45 120.40 117.89 1rxc s VAL 153 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1rxc s VAL 153 Cb -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1rxc s VAL 153 CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1rxc n GLY 154 N 4.45 -0.92 3.80 4.51 0.00 -0.92 -4.97 105.19 111.15 1rxc n GLY 154 Ca -0.19 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1rxc n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 155 N -3.00 4.33 -0.02 1.61 1.01 -1.26 -1.79 120.40 121.29 1rxc s VAL 155 Ca 0.00 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1rxc s VAL 155 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1rxc s VAL 155 CO 0.00 -0.05 -0.13 -0.89 0.00 0.00 0.00 175.10 174.03 1rxc s THR 156 N -1.84 1.08 -0.16 3.92 2.01 -0.91 -1.50 115.64 118.23 1rxc s THR 156 Ca 0.54 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 1rxc s THR 156 Cb -0.14 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1rxc s THR 156 CO 0.19 0.31 0.55 0.00 -0.69 0.00 0.00 174.62 174.98 1rxc s ALA 157 N -0.19 3.50 -0.24 7.40 0.00 -0.44 0.09 121.76 131.88 1rxc s ALA 157 Ca 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1rxc s ALA 157 Cb -0.07 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.28 1rxc s ALA 157 CO -0.00 -0.30 -0.11 0.45 0.00 0.00 0.00 175.76 175.80 1rxc s SER 158 N 0.97 4.17 -0.05 0.00 0.15 -0.52 -1.92 113.70 116.50 1rxc s SER 158 Ca 0.27 -1.13 0.05 0.00 0.70 0.00 0.00 55.95 55.84 1rxc s SER 158 Cb -0.16 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1rxc s SER 158 CO 0.11 -0.14 -0.20 -0.55 1.20 0.00 0.00 173.24 173.65 1rxc s SER 159 N 1.19 3.51 0.09 5.45 0.15 -0.16 -0.70 113.70 123.22 1rxc s SER 159 Ca -0.04 -0.36 0.20 0.00 0.70 0.00 0.00 55.95 56.45 1rxc s SER 159 Cb -0.18 -0.72 0.84 0.00 -1.71 0.00 0.00 66.02 64.25 1rxc s SER 159 CO -0.06 0.31 1.64 0.47 1.20 0.00 0.00 173.24 176.79 1rxc n ASP 160 N 2.56 0.25 -4.48 5.45 8.00 -0.67 -4.34 116.55 123.32 1rxc n ASP 160 Ca -0.17 0.55 -0.24 0.00 0.71 0.00 0.00 54.79 55.64 1rxc n ASP 160 Cb 0.52 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 1rxc n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rxc s THR 161 N -3.09 2.52 -0.05 -3.53 -4.23 -1.26 -5.01 115.64 100.99 1rxc s THR 161 Ca 0.08 -2.39 0.04 0.00 -1.18 0.00 0.00 61.69 58.24 1rxc s THR 161 Cb 0.11 -2.33 -0.25 0.00 1.34 0.00 0.00 72.50 71.38 1rxc s THR 161 CO 0.37 -0.40 0.65 0.15 -0.54 0.00 0.00 174.62 174.85 1rxc h PHE 162 N 2.25 0.21 0.00 3.99 3.57 -1.97 -3.40 116.94 121.59 1rxc h PHE 162 Ca -0.40 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1rxc h PHE 162 Cb 1.26 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1rxc h PHE 162 CO 0.80 1.28 0.00 0.66 -2.23 0.00 0.00 178.31 178.83 1rxc n TYR 163 N -3.25 0.00 0.15 0.41 4.01 -1.26 -4.31 117.16 112.90 1rxc n TYR 163 Ca -0.20 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1rxc n TYR 163 Cb 1.04 -0.01 0.26 0.00 -0.31 0.00 0.00 39.34 40.32 1rxc n TYR 163 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1rxc h PRO 164 N 0.00 0.06 0.00 -0.72 0.13 -1.89 -0.82 132.00 128.76 1rxc h PRO 164 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1rxc h PRO 164 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rxc h PRO 164 CO 0.00 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 178.70 1rxc n GLY 165 N -0.15 -1.53 1.05 1.56 0.00 -1.26 -1.95 105.19 102.91 1rxc n GLY 165 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1rxc n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rxc n GLN 166 N -2.28 3.26 -3.97 1.61 6.02 -1.04 -4.94 117.38 116.03 1rxc n GLN 166 Ca 0.04 -2.77 -0.34 0.00 -0.01 0.00 0.00 57.00 53.92 1rxc n GLN 166 Cb 0.35 -1.82 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 1rxc n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxc n GLU 167 N -0.06 -1.51 -3.58 -1.09 2.13 -0.82 -4.95 120.64 110.75 1rxc n GLU 167 Ca 0.21 0.28 -0.37 0.00 0.66 0.00 0.00 57.16 57.94 1rxc n GLU 167 Cb 0.86 -3.72 -0.07 0.00 0.27 0.00 0.00 31.44 28.79 1rxc n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxc s ARG 168 N -6.77 4.01 -0.00 5.31 0.52 -0.34 -4.98 118.95 116.70 1rxc s ARG 168 Ca 0.27 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.70 1rxc s ARG 168 Cb -0.12 -3.32 -0.08 0.00 0.52 0.00 0.00 34.95 31.94 1rxc s ARG 168 CO 0.92 0.47 0.28 0.66 0.02 0.00 0.00 175.30 177.65 1rxc n TYR 169 N 2.78 0.00 -2.80 -0.53 4.01 -1.26 -4.41 117.16 114.94 1rxc n TYR 169 Ca -0.14 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.17 1rxc n TYR 169 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1rxc n TYR 169 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rxc n ASP 170 N -1.25 5.16 -4.07 7.72 4.64 -1.26 -4.06 116.55 123.43 1rxc n ASP 170 Ca 0.01 -2.99 -0.10 0.00 -1.38 0.00 0.00 54.79 50.33 1rxc n ASP 170 Cb 0.12 -1.57 -0.08 0.00 -1.04 0.00 0.00 41.12 38.55 1rxc n ASP 170 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1rxc s THR 171 N 1.65 0.02 0.27 5.18 -4.23 -1.26 -5.01 115.64 112.26 1rxc s THR 171 Ca 0.43 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1rxc s THR 171 Cb -0.00 -2.20 0.38 0.00 1.34 0.00 0.00 72.50 72.02 1rxc s THR 171 CO 0.01 -0.11 1.59 0.22 -0.54 0.00 0.00 174.62 175.79 1rxc h TYR 172 N 2.49 -0.25 0.00 3.99 3.20 -1.99 -2.77 116.97 121.64 1rxc h TYR 172 Ca -0.31 0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.47 1rxc h TYR 172 Cb 1.24 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.73 1rxc h TYR 172 CO 0.38 -0.37 -1.78 -1.13 -1.64 0.00 0.00 178.16 173.62 1rxc n SER 173 N -5.50 0.41 0.00 -2.11 3.41 -1.26 -4.99 113.62 103.58 1rxc n SER 173 Ca 0.17 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1rxc n SER 173 Cb 0.55 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 1rxc n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxc n GLY 174 N 1.43 0.71 3.33 5.00 0.00 -1.05 -5.01 105.19 109.60 1rxc n GLY 174 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1rxc n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxc s ARG 175 N -0.16 1.28 -0.03 1.61 1.70 -1.26 -4.87 118.95 117.23 1rxc s ARG 175 Ca 0.00 -1.56 0.04 0.00 -0.47 0.00 0.00 55.73 53.74 1rxc s ARG 175 Cb 0.00 -1.06 -0.00 0.00 -0.57 0.00 0.00 34.95 33.32 1rxc s ARG 175 CO 0.00 0.17 -0.14 0.08 -1.08 0.00 0.00 175.30 174.34 1rxc s VAL 176 N -2.97 1.13 0.71 4.99 1.01 -1.26 -4.93 120.40 119.08 1rxc s VAL 176 Ca 0.21 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1rxc s VAL 176 Cb -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1rxc s VAL 176 CO 0.06 0.33 1.25 0.54 0.00 0.00 0.00 175.10 177.28 1rxc s VAL 177 N -0.07 2.10 0.17 2.92 0.11 -1.26 -4.62 120.40 119.75 1rxc s VAL 177 Ca 0.00 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 1rxc s VAL 177 Cb -0.08 -2.77 0.11 0.00 -1.53 0.00 0.00 36.38 32.11 1rxc s VAL 177 CO 0.01 -0.02 1.65 -0.09 -3.33 0.00 0.00 175.10 173.32 1rxc h ARG 178 N -0.07 -0.04 -0.96 1.54 2.43 -2.00 -1.66 114.38 113.61 1rxc h ARG 178 Ca -0.49 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 58.99 1rxc h ARG 178 Cb 1.32 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.72 1rxc h ARG 178 CO 0.50 -0.03 0.39 1.25 -1.51 0.00 0.00 179.97 180.57 1rxc h HIS 179 N -0.04 0.60 -0.01 2.20 2.76 -2.02 -1.84 115.15 116.79 1rxc h HIS 179 Ca 0.21 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1rxc h HIS 179 Cb 0.36 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1rxc h HIS 179 CO -0.40 -0.28 -0.55 1.19 -1.30 0.00 0.00 177.93 176.59 1rxc n PHE 180 N -5.20 0.00 -1.90 5.26 3.01 -0.68 -4.76 117.46 113.19 1rxc n PHE 180 Ca 0.29 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.33 1rxc n PHE 180 Cb 0.92 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.34 1rxc n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1rxc s LYS 181 N -2.58 4.20 0.00 -1.08 1.02 -0.69 -1.81 119.74 118.79 1rxc s LYS 181 Ca 0.17 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.54 1rxc s LYS 181 Cb 0.18 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1rxc s LYS 181 CO 0.62 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1rxc n GLY 182 N 3.90 0.63 0.23 -3.33 0.00 -1.26 -4.92 105.19 100.44 1rxc n GLY 182 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1rxc n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxc h SER 183 N 0.00 0.90 -0.59 1.61 4.64 -1.66 -3.04 113.55 115.41 1rxc h SER 183 Ca 0.00 -0.53 0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1rxc h SER 183 Cb 0.08 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 1rxc h SER 183 CO 0.00 1.26 0.35 -0.03 -0.87 0.00 0.00 176.83 177.54 1rxc h MET 184 N 0.57 0.66 -0.95 4.77 -1.53 -1.92 -1.48 114.93 115.06 1rxc h MET 184 Ca 0.02 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.27 1rxc h MET 184 Cb 1.10 -0.15 -0.06 0.00 -0.55 0.00 0.00 31.60 31.94 1rxc h MET 184 CO 0.11 0.44 0.62 1.49 0.14 0.00 0.00 176.91 179.71 1rxc h GLU 185 N 0.68 1.17 -0.27 0.39 4.81 -1.96 -0.71 114.58 118.69 1rxc h GLU 185 Ca 0.24 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1rxc h GLU 185 Cb 0.06 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1rxc h GLU 185 CO -0.12 0.77 -0.13 0.93 -0.73 0.00 0.00 179.01 179.73 1rxc h GLU 186 N 1.20 0.57 -0.66 1.92 4.39 -1.25 -1.33 114.58 119.43 1rxc h GLU 186 Ca 0.38 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1rxc h GLU 186 Cb -0.00 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1rxc h GLU 186 CO -0.12 0.82 0.44 -1.49 -1.16 0.00 0.00 179.01 177.50 1rxc h TRP 187 N 0.31 0.80 -0.22 4.33 -0.00 -1.09 -1.91 115.95 118.18 1rxc h TRP 187 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 1rxc h TRP 187 Cb 0.65 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 1rxc h TRP 187 CO 0.06 0.49 0.11 1.96 -0.00 0.00 0.00 178.44 181.06 1rxc h GLN 188 N 0.85 0.31 0.00 0.49 4.20 -0.80 -0.59 115.11 119.57 1rxc h GLN 188 Ca 0.25 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1rxc h GLN 188 Cb -0.03 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1rxc h GLN 188 CO -0.06 0.31 -0.14 0.00 -0.67 0.00 0.00 178.83 178.26 1rxc h ALA 189 N 0.99 1.53 -0.27 3.87 0.00 -0.87 -2.21 119.26 122.29 1rxc h ALA 189 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rxc h ALA 189 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rxc h ALA 189 CO -0.01 0.17 0.00 -1.33 0.00 0.00 0.00 179.25 178.08 1rxc n MET 190 N -4.02 1.66 -1.01 0.00 2.81 -0.75 -4.90 117.12 110.90 1rxc n MET 190 Ca -0.02 -0.99 -0.00 0.00 -1.81 0.00 0.00 57.70 54.88 1rxc n MET 190 Cb 0.22 -1.23 -0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1rxc n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxc n GLY 191 N 0.91 0.45 3.76 3.03 0.00 -0.83 -5.00 105.19 107.50 1rxc n GLY 191 Ca 0.09 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1rxc n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 192 N -1.88 3.03 -0.04 1.61 1.01 -0.29 -4.66 120.40 119.17 1rxc s VAL 192 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 62.88 1rxc s VAL 192 Cb 0.00 -3.63 -0.30 0.00 0.00 0.00 0.00 36.38 32.45 1rxc s VAL 192 CO 0.00 0.22 0.69 0.24 0.00 0.00 0.00 175.10 176.25 1rxc h MET 193 N 3.95 0.37 -2.40 2.72 0.00 -1.59 -3.42 114.93 114.56 1rxc h MET 193 Ca -0.47 -0.64 0.16 0.00 0.00 0.00 0.00 59.70 58.75 1rxc h MET 193 Cb 1.22 0.24 -0.08 0.00 0.00 0.00 0.00 31.60 32.97 1rxc h MET 193 CO 0.68 1.29 0.46 0.54 0.00 0.00 0.00 176.91 179.88 1rxc s ASN 194 N -7.24 -0.20 -0.06 1.22 4.22 -1.26 -1.39 114.94 110.23 1rxc s ASN 194 Ca -0.15 -0.38 0.04 0.00 -2.14 0.00 0.00 52.86 50.22 1rxc s ASN 194 Cb 0.06 0.50 -0.02 0.00 1.28 0.00 0.00 41.25 43.07 1rxc s ASN 194 CO 0.85 -0.92 -0.17 -0.31 -2.04 0.00 0.00 177.10 174.52 1rxc s TYR 195 N -3.33 2.65 0.00 1.54 2.02 0.22 -1.32 117.35 119.12 1rxc s TYR 195 Ca 0.11 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1rxc s TYR 195 Cb -0.02 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1rxc s TYR 195 CO 0.02 0.06 0.00 -0.85 -1.57 0.00 0.00 175.55 173.21 1rxc n GLU 196 N 2.56 0.00 0.00 -0.62 -0.00 -0.81 -2.39 120.64 119.37 1rxc n GLU 196 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1rxc n GLU 196 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1rxc n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxc n MET 197 N 0.00 3.16 -0.01 3.44 2.81 -1.26 -0.99 117.12 124.26 1rxc n MET 197 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1rxc n MET 197 Cb 0.00 -0.58 -0.07 0.00 -0.71 0.00 0.00 33.22 31.86 1rxc n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxc n GLU 198 N -0.74 0.92 -0.11 0.03 4.71 -1.26 -4.04 120.64 120.15 1rxc n GLU 198 Ca 0.00 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.16 57.07 1rxc n GLU 198 Cb 0.00 -1.21 0.22 0.00 -1.01 0.00 0.00 31.44 29.44 1rxc n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxc h SER 199 N 0.00 0.72 -0.72 1.62 4.64 -1.95 -2.03 113.55 115.83 1rxc h SER 199 Ca -0.06 -0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1rxc h SER 199 Cb 0.70 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.55 1rxc h SER 199 CO 0.00 0.70 0.44 0.00 -0.87 0.00 0.00 176.83 177.11 1rxc h ALA 200 N 1.40 0.95 0.12 5.18 0.00 -1.87 0.26 119.26 125.30 1rxc h ALA 200 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1rxc h ALA 200 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rxc h ALA 200 CO -0.00 0.20 -0.06 1.15 0.00 0.00 0.00 179.25 180.54 1rxc h THR 201 N 0.85 1.07 -0.05 0.00 2.02 -1.79 -2.28 112.91 112.73 1rxc h THR 201 Ca 0.29 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.49 1rxc h THR 201 Cb 0.06 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 1rxc h THR 201 CO -0.12 0.24 -0.36 0.25 0.37 0.00 0.00 175.52 175.89 1rxc h LEU 202 N -0.67 -1.09 -0.62 2.58 5.85 -1.24 -1.37 115.31 118.75 1rxc h LEU 202 Ca -0.02 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1rxc h LEU 202 Cb 0.51 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1rxc h LEU 202 CO 0.03 -0.40 0.03 -0.07 -0.34 0.00 0.00 178.44 177.68 1rxc h LEU 203 N -0.48 1.05 -0.42 2.25 3.38 -1.02 -2.05 115.31 118.03 1rxc h LEU 203 Ca 0.07 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 1rxc h LEU 203 Cb 0.59 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1rxc h LEU 203 CO -0.32 1.09 -0.36 0.74 0.09 0.00 0.00 178.44 179.68 1rxc h THR 204 N 0.99 1.27 0.00 0.22 2.02 -1.31 -1.42 112.91 114.68 1rxc h THR 204 Ca 0.18 -1.53 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 1rxc h THR 204 Cb 0.53 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1rxc h THR 204 CO 0.03 0.51 -0.42 0.00 0.37 0.00 0.00 175.52 176.01 1rxc h MET 205 N 0.78 0.00 0.16 6.66 -0.00 -1.15 -2.62 114.93 118.76 1rxc h MET 205 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.49 1rxc h MET 205 Cb 0.95 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.56 1rxc h MET 205 CO 0.09 0.42 -1.36 0.00 -0.00 0.00 0.00 176.91 176.07 1rxc h ALA 207 N 0.05 1.04 -0.03 0.00 0.00 -1.27 0.11 119.26 119.17 1rxc h ALA 207 Ca -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1rxc h ALA 207 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1rxc h ALA 207 CO 0.15 0.11 -0.12 -1.13 0.00 0.00 0.00 179.25 178.26 1rxc n SER 208 N -3.26 2.68 -0.09 0.00 3.41 -0.99 -4.33 113.62 111.04 1rxc n SER 208 Ca -0.00 -1.84 0.03 0.00 -0.26 0.00 0.00 58.87 56.80 1rxc n SER 208 Cb 0.32 0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1rxc n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxc n GLN 209 N 0.96 1.57 -1.10 4.33 6.02 -1.01 -5.01 117.38 123.13 1rxc n GLN 209 Ca 0.12 -1.61 -0.04 0.00 -0.01 0.00 0.00 57.00 55.47 1rxc n GLN 209 Cb 0.55 -1.01 -0.02 0.00 1.02 0.00 0.00 30.24 30.78 1rxc n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 210 N -0.65 0.65 3.90 1.08 0.00 -0.99 -5.03 105.19 104.15 1rxc n GLY 210 Ca 0.05 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1rxc n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 211 N -0.80 4.38 0.02 0.99 1.43 -0.01 -5.04 118.68 119.64 1rxc s LEU 211 Ca 0.00 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 1rxc s LEU 211 Cb 0.00 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 1rxc s LEU 211 CO 0.00 0.30 0.66 -0.13 0.23 0.00 0.00 176.35 177.41 1rxc s ARG 212 N -1.67 4.39 -0.01 1.70 0.52 -0.48 -3.90 118.95 119.49 1rxc s ARG 212 Ca 0.24 0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 56.26 1rxc s ARG 212 Cb -0.13 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1rxc s ARG 212 CO 0.15 0.34 0.10 0.00 0.02 0.00 0.00 175.30 175.91 1rxc s ALA 213 N -0.14 -0.24 0.17 2.13 0.00 -1.26 -0.52 121.76 121.90 1rxc s ALA 213 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1rxc s ALA 213 Cb -0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1rxc s ALA 213 CO 0.19 -0.14 0.05 0.20 0.00 0.00 0.00 175.76 176.07 1rxc s GLY 214 N -0.82 1.25 -0.17 0.00 0.00 0.01 -1.25 107.32 106.34 1rxc s GLY 214 Ca -0.09 -1.61 -0.07 0.00 0.00 0.00 0.00 44.72 42.95 1rxc s GLY 214 CO 0.01 -1.46 0.37 -0.29 0.00 0.00 0.00 173.10 171.73 1rxc s MET 215 N -4.02 0.30 0.01 2.90 1.75 -1.26 -1.50 119.30 117.47 1rxc s MET 215 Ca 0.28 0.86 0.01 0.00 -1.25 0.00 0.00 55.69 55.60 1rxc s MET 215 Cb 0.07 0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.85 1rxc s MET 215 CO 0.06 -0.22 -0.04 0.54 -0.65 0.00 0.00 175.02 174.70 1rxc s VAL 216 N 2.09 0.32 0.03 10.11 0.11 -0.71 -1.23 120.40 131.12 1rxc s VAL 216 Ca -0.04 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1rxc s VAL 216 Cb -0.11 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1rxc s VAL 216 CO -0.12 -0.02 -0.00 0.00 -3.33 0.00 0.00 175.10 171.63 1rxc s ALA 217 N -0.36 0.19 -0.14 1.54 0.00 -0.39 -1.58 121.76 121.02 1rxc s ALA 217 Ca -0.01 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 1rxc s ALA 217 Cb -0.03 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1rxc s ALA 217 CO -0.00 -0.26 0.13 0.20 0.00 0.00 0.00 175.76 175.83 1rxc s GLY 218 N -2.04 2.11 -0.29 0.00 0.00 -0.56 -1.30 107.32 105.24 1rxc s GLY 218 Ca -0.07 -0.66 -0.26 0.00 0.00 0.00 0.00 44.72 43.73 1rxc s GLY 218 CO -0.04 -0.24 0.91 0.14 0.00 0.00 0.00 173.10 173.86 1rxc s VAL 219 N -0.63 4.70 -0.88 1.40 1.01 -0.63 -1.20 120.40 124.18 1rxc s VAL 219 Ca 0.13 1.51 0.12 0.00 0.00 0.00 0.00 61.98 63.74 1rxc s VAL 219 Cb -0.12 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1rxc s VAL 219 CO 0.02 -0.28 0.62 2.30 0.00 0.00 0.00 175.10 177.76 1rxc n ILE 220 N 5.56 0.00 -3.54 2.22 -5.35 -0.48 -1.12 119.36 116.66 1rxc n ILE 220 Ca 0.07 -0.32 -0.18 0.00 -0.27 0.00 0.00 62.75 62.05 1rxc n ILE 220 Cb 0.47 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 1rxc n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxc s VAL 221 N -1.72 0.00 -0.22 7.28 0.11 -1.23 -4.33 120.40 120.29 1rxc s VAL 221 Ca 0.08 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1rxc s VAL 221 Cb 0.09 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1rxc s VAL 221 CO 0.36 -0.02 -0.06 0.21 -3.33 0.00 0.00 175.10 172.26 1rxc s ASN 222 N -1.19 4.18 0.00 3.54 3.84 -1.26 -0.77 114.94 123.28 1rxc s ASN 222 Ca -0.11 -0.50 0.19 0.00 0.21 0.00 0.00 52.86 52.65 1rxc s ASN 222 Cb -0.00 -1.70 0.89 0.00 -0.55 0.00 0.00 41.25 39.89 1rxc s ASN 222 CO 0.10 -0.04 1.60 0.54 -2.79 0.00 0.00 177.10 176.51 1rxc n ARG 223 N 4.76 0.15 -0.03 0.43 5.12 0.53 -1.36 116.66 126.25 1rxc n ARG 223 Ca -0.18 0.14 0.11 0.00 -1.93 0.00 0.00 57.85 55.99 1rxc n ARG 223 Cb 0.50 -1.50 0.51 0.00 -1.16 0.00 0.00 32.46 30.82 1rxc n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rxc n THR 224 N -1.39 0.09 -0.00 0.55 -2.24 -1.26 -4.24 114.28 105.79 1rxc n THR 224 Ca 0.07 -0.20 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1rxc n THR 224 Cb 0.18 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1rxc n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxc n GLN 225 N -0.16 0.04 -3.91 -0.78 6.02 -0.46 -5.12 117.38 113.01 1rxc n GLN 225 Ca 0.17 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 57.09 1rxc n GLN 225 Cb 0.24 -0.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.84 1rxc n GLN 225 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1rxc s GLN 226 N -2.04 0.70 -0.05 -1.09 -0.21 -0.91 -5.07 119.66 110.98 1rxc s GLN 226 Ca -0.03 -0.85 -0.23 0.00 0.02 0.00 0.00 55.36 54.27 1rxc s GLN 226 Cb 0.01 0.28 -0.29 0.00 1.00 0.00 0.00 33.01 34.01 1rxc s GLN 226 CO 0.04 -0.19 0.92 0.93 -2.12 0.00 0.00 175.29 174.86 1rxc h GLU 227 N 3.26 0.26 -5.30 2.91 5.08 -1.87 -3.35 114.58 115.58 1rxc h GLU 227 Ca -0.33 -0.40 -0.64 0.00 -1.00 0.00 0.00 59.36 56.99 1rxc h GLU 227 Cb 1.19 0.14 -0.22 0.00 0.50 0.00 0.00 28.75 30.36 1rxc h GLU 227 CO 0.54 1.16 -0.67 0.42 -1.00 0.00 0.00 179.01 179.46 1rxc s ILE 228 N -2.56 3.83 0.51 3.13 -1.09 -1.26 -5.00 121.20 118.77 1rxc s ILE 228 Ca -0.14 -0.38 -0.23 0.00 -2.23 0.00 0.00 60.65 57.67 1rxc s ILE 228 Cb 0.01 -2.68 -0.06 0.00 -1.58 0.00 0.00 42.46 38.15 1rxc s ILE 228 CO 0.80 0.49 1.40 -2.84 -1.23 0.00 0.00 174.94 173.56 1rxc s PRO 229 N 0.38 3.32 0.40 2.79 0.02 -1.26 -5.01 135.00 135.64 1rxc s PRO 229 Ca -0.04 2.33 -0.24 0.00 0.02 0.00 0.00 61.00 63.07 1rxc s PRO 229 Cb -0.14 -2.40 -0.09 0.00 0.02 0.00 0.00 34.50 31.89 1rxc s PRO 229 CO 0.03 -1.08 1.08 -0.80 -0.33 0.00 0.00 177.00 175.90 1rxc s ASN 230 N -0.75 6.69 0.18 2.53 0.01 -1.26 -4.99 114.94 117.35 1rxc s ASN 230 Ca 0.68 2.11 0.04 0.00 -0.71 0.00 0.00 52.86 54.98 1rxc s ASN 230 Cb -0.42 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 38.70 1rxc s ASN 230 CO 0.52 -0.54 1.42 0.00 -1.51 0.00 0.00 177.10 176.99 1rxc h ALA 231 N 2.52 0.61 0.00 0.60 0.00 -1.95 -3.38 119.26 117.66 1rxc h ALA 231 Ca -0.48 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1rxc h ALA 231 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rxc h ALA 231 CO 0.62 0.91 0.00 1.05 0.00 0.00 0.00 179.25 181.83 1rxc h GLU 232 N 0.09 0.00 0.00 0.00 4.11 -2.00 -2.79 114.58 113.98 1rxc h GLU 232 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1rxc h GLU 232 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1rxc h GLU 232 CO 0.12 0.00 0.00 -2.37 0.07 0.00 0.00 179.01 176.83 1rxc n THR 233 N -2.69 0.00 -0.13 -1.06 5.66 -1.26 -4.80 114.28 110.00 1rxc n THR 233 Ca -0.01 -0.35 -0.07 0.00 -3.05 0.00 0.00 64.05 60.56 1rxc n THR 233 Cb 0.11 1.29 0.01 0.00 -1.55 0.00 0.00 70.33 70.19 1rxc n THR 233 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1rxc h MET 234 N 0.00 0.47 -0.68 1.09 2.86 -1.67 -2.87 114.93 114.12 1rxc h MET 234 Ca 0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1rxc h MET 234 Cb 0.15 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1rxc h MET 234 CO 0.00 0.31 0.26 0.87 1.06 0.00 0.00 176.91 179.41 1rxc h LYS 235 N 0.48 1.03 -0.61 1.72 1.57 -1.87 -2.13 116.57 116.76 1rxc h LYS 235 Ca 0.16 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1rxc h LYS 235 Cb 0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1rxc h LYS 235 CO -0.07 0.86 0.32 0.37 -0.57 0.00 0.00 179.45 180.36 1rxc h GLN 236 N 0.98 0.86 -0.61 3.15 4.15 -1.88 -2.88 115.11 118.87 1rxc h GLN 236 Ca 0.23 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 1rxc h GLN 236 Cb 0.23 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1rxc h GLN 236 CO -0.02 0.66 -0.00 1.15 -1.93 0.00 0.00 178.83 178.69 1rxc h THR 237 N 0.83 1.27 -0.36 2.39 2.02 -1.32 -2.92 112.91 114.82 1rxc h THR 237 Ca 0.21 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.25 1rxc h THR 237 Cb 0.06 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1rxc h THR 237 CO -0.03 0.42 0.20 -0.08 0.37 0.00 0.00 175.52 176.40 1rxc h GLU 238 N 0.98 0.39 0.00 6.66 4.81 -1.28 -2.36 114.58 123.78 1rxc h GLU 238 Ca 0.17 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1rxc h GLU 238 Cb 0.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1rxc h GLU 238 CO 0.03 0.26 -0.37 0.77 -0.73 0.00 0.00 179.01 178.97 1rxc h SER 239 N 0.40 0.00 -0.04 1.04 0.02 -1.51 -2.08 113.55 111.39 1rxc h SER 239 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1rxc h SER 239 Cb 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1rxc h SER 239 CO -0.08 0.37 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.24 1rxc h HIS 240 N 0.00 0.07 -0.57 3.45 -0.00 -1.27 -2.04 115.15 114.78 1rxc h HIS 240 Ca -0.00 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 1rxc h HIS 240 Cb 0.73 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 1rxc h HIS 240 CO 0.00 0.38 -0.02 0.00 -0.00 0.00 0.00 177.93 178.28 1rxc h ALA 241 N 0.68 0.87 -0.73 5.26 0.00 -1.40 -2.94 119.26 121.01 1rxc h ALA 241 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1rxc h ALA 241 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1rxc h ALA 241 CO 0.00 0.66 0.38 0.28 0.00 0.00 0.00 179.25 180.57 1rxc h VAL 242 N 0.92 1.23 -0.83 0.00 2.07 -1.36 -0.62 116.25 117.66 1rxc h VAL 242 Ca 0.16 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1rxc h VAL 242 Cb 0.57 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1rxc h VAL 242 CO 0.03 0.26 0.52 0.50 0.02 0.00 0.00 177.57 178.90 1rxc h LYS 243 N 1.01 0.93 -0.31 1.57 3.64 -1.29 -2.25 116.57 119.88 1rxc h LYS 243 Ca 0.25 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 1rxc h LYS 243 Cb 0.07 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1rxc h LYS 243 CO -0.04 0.62 -0.43 0.82 -2.27 0.00 0.00 179.45 178.15 1rxc h ILE 244 N 0.96 1.28 -0.44 2.00 2.04 -1.18 -2.38 117.51 119.80 1rxc h ILE 244 Ca 0.35 -1.61 -0.09 0.00 1.00 0.00 0.00 64.86 64.51 1rxc h ILE 244 Cb 0.12 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1rxc h ILE 244 CO -0.15 0.53 -0.10 1.62 0.00 0.00 0.00 178.15 180.04 1rxc h VAL 245 N 0.61 1.26 -0.26 1.67 3.04 -0.99 -1.14 116.25 120.43 1rxc h VAL 245 Ca 0.03 -1.16 -0.05 0.00 -1.01 0.00 0.00 66.70 64.51 1rxc h VAL 245 Cb 1.03 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1rxc h VAL 245 CO 0.10 0.40 -0.04 0.58 -1.01 0.00 0.00 177.57 177.60 1rxc h VAL 246 N 0.72 1.27 -0.49 1.51 2.07 -1.38 -1.07 116.25 118.88 1rxc h VAL 246 Ca 0.12 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1rxc h VAL 246 Cb 0.58 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1rxc h VAL 246 CO 0.04 0.32 0.25 -0.08 0.02 0.00 0.00 177.57 178.12 1rxc h GLU 247 N 0.26 0.67 -0.33 1.57 4.57 -1.35 -2.68 114.58 117.29 1rxc h GLU 247 Ca 0.07 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1rxc h GLU 247 Cb 0.50 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1rxc h GLU 247 CO 0.02 0.51 -0.36 0.00 -1.18 0.00 0.00 179.01 178.00 1rxc h ALA 248 N 1.60 0.49 -0.75 2.92 0.00 -0.90 -2.79 119.26 119.83 1rxc h ALA 248 Ca 0.17 -0.44 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1rxc h ALA 248 Cb 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1rxc h ALA 248 CO -0.03 0.57 0.49 0.00 0.00 0.00 0.00 179.25 180.29 1rxc h ALA 249 N 0.73 1.90 -0.77 0.00 0.00 -0.98 -2.16 119.26 117.98 1rxc h ALA 249 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1rxc h ALA 249 Cb 0.94 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1rxc h ALA 249 CO 0.09 -0.07 0.33 -0.09 0.00 0.00 0.00 179.25 179.51 1rxc h ARG 250 N 0.59 1.12 -0.05 0.00 2.43 -1.20 -2.09 114.38 115.17 1rxc h ARG 250 Ca 0.35 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1rxc h ARG 250 Cb 0.57 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1rxc h ARG 250 CO -0.13 0.89 0.00 0.54 -1.51 0.00 0.00 179.97 179.76 1rxc n ARG 251 N -4.30 1.27 -0.03 0.20 1.74 -0.82 -3.73 116.66 110.98 1rxc n ARG 251 Ca 0.07 -0.40 0.03 0.00 -0.77 0.00 0.00 57.85 56.79 1rxc n ARG 251 Cb 0.16 -1.35 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1rxc n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxc n LEU 252 N -0.40 1.87 0.00 0.55 4.77 -0.80 -5.02 117.00 117.97 1rxc n LEU 252 Ca 0.16 -1.32 0.11 0.00 -0.03 0.00 0.00 56.01 54.92 1rxc n LEU 252 Cb 0.17 -0.04 0.64 0.00 -2.33 0.00 0.00 43.42 41.85 1rxc n LEU 252 CO 0.12 0.42 0.83 0.18 -1.33 0.00 0.00 177.39 177.61